USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl -170:sc= -3.94! (180deg=-2.1) USER MOD Set 1.2: A 79 CYS SG : rot -19:sc= -1.62 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.586 F(o=-1.7,f=-0.59) USER MOD Single : A 9 HIS : no HD1:sc= -0.043 X(o=-0.043,f=-0.0075) USER MOD Single : A 10 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.3!) USER MOD Single : A 13 GLN : amide:sc= -3.28 K(o=-3.3,f=-4.5) USER MOD Single : A 16 GLN : amide:sc= -0.8 K(o=-0.8,f=-3!) USER MOD Single : A 20 SER OG : rot -104:sc= 0.713 USER MOD Single : A 32 HIS : no HD1:sc=-0.00134 X(o=-0.0013,f=0) USER MOD Single : A 37 THR OG1 : rot 153:sc= -0.0951 USER MOD Single : A 38 CYS SG : rot 163:sc= 0.456 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 118:sc= 0.0522 USER MOD Single : A 47 SER OG : rot 150:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -1.6 (180deg=-2.54!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 168:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.2 K(o=-2.2,f=-3.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.032) USER MOD Single : A 91 MET CE :methyl 154:sc= -0.443 (180deg=-1.78!) USER MOD Single : A 101 LYS NZ :NH3+ -136:sc= 0.581 (180deg=0.215) USER MOD Single : A 103 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.3) USER MOD Single : A 106 MET CE :methyl 165:sc=-0.00266 (180deg=-0.38) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 112 MET CE :methyl 146:sc= -2.98! (180deg=-4.67!) USER MOD Single : A 118 THR OG1 : rot 76:sc= 0.568 USER MOD Single : A 120 TYR OH : rot 42:sc= 2.46 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -8.906 8.540 -10.410 1.00 0.00 N ATOM 36 CA MET A 4 -9.030 7.126 -10.071 1.00 0.00 C ATOM 37 C MET A 4 -8.342 6.822 -8.745 1.00 0.00 C ATOM 38 O MET A 4 -9.000 6.635 -7.722 1.00 0.00 O ATOM 39 CB MET A 4 -8.431 6.259 -11.182 1.00 0.00 C ATOM 40 CG MET A 4 -9.430 5.879 -12.261 1.00 0.00 C ATOM 41 SD MET A 4 -8.675 5.755 -13.894 1.00 0.00 S ATOM 42 CE MET A 4 -9.886 6.618 -14.892 1.00 0.00 C ATOM 0 HA MET A 4 -10.090 6.894 -9.970 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.599 6.794 -11.641 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.021 5.350 -10.741 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.891 4.925 -12.005 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.228 6.621 -12.289 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.561 6.626 -15.932 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.848 6.111 -14.817 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.988 7.643 -14.535 1.00 0.00 H new ATOM 52 N LEU A 5 -7.013 6.769 -8.771 1.00 0.00 N ATOM 53 CA LEU A 5 -6.230 6.484 -7.576 1.00 0.00 C ATOM 54 C LEU A 5 -6.658 7.372 -6.407 1.00 0.00 C ATOM 55 O LEU A 5 -6.355 8.566 -6.382 1.00 0.00 O ATOM 56 CB LEU A 5 -4.740 6.686 -7.860 1.00 0.00 C ATOM 57 CG LEU A 5 -4.010 5.453 -8.397 1.00 0.00 C ATOM 58 CD1 LEU A 5 -4.054 5.427 -9.917 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.571 5.430 -7.904 1.00 0.00 C ATOM 0 H LEU A 5 -6.455 6.921 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.409 5.445 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.630 7.497 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.251 7.007 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.516 4.563 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.530 4.543 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.091 5.397 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.572 6.322 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.066 4.547 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.054 6.326 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.560 5.401 -6.814 1.00 0.00 H new ATOM 71 N PRO A 6 -7.372 6.803 -5.417 1.00 0.00 N ATOM 72 CA PRO A 6 -7.837 7.557 -4.249 1.00 0.00 C ATOM 73 C PRO A 6 -6.702 7.895 -3.289 1.00 0.00 C ATOM 74 O PRO A 6 -5.876 7.041 -2.962 1.00 0.00 O ATOM 75 CB PRO A 6 -8.831 6.602 -3.587 1.00 0.00 C ATOM 76 CG PRO A 6 -8.365 5.244 -3.979 1.00 0.00 C ATOM 77 CD PRO A 6 -7.782 5.386 -5.359 1.00 0.00 C ATOM 0 HA PRO A 6 -8.269 8.518 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.835 6.722 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.848 6.787 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.619 4.870 -3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.191 4.532 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.935 4.717 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.515 5.148 -6.130 1.00 0.00 H new ATOM 85 N HIS A 7 -6.666 9.145 -2.838 1.00 0.00 N ATOM 86 CA HIS A 7 -5.632 9.596 -1.915 1.00 0.00 C ATOM 87 C HIS A 7 -6.216 9.859 -0.530 1.00 0.00 C ATOM 88 O HIS A 7 -7.406 9.644 -0.296 1.00 0.00 O ATOM 89 CB HIS A 7 -4.960 10.863 -2.446 1.00 0.00 C ATOM 90 CG HIS A 7 -4.319 10.681 -3.787 1.00 0.00 C ATOM 91 ND1 HIS A 7 -4.114 9.567 -4.529 1.00 0.00 N flip ATOM 92 CD2 HIS A 7 -3.798 11.727 -4.520 1.00 0.00 C flip ATOM 93 CE1 HIS A 7 -3.481 9.957 -5.682 1.00 0.00 C flip ATOM 94 NE2 HIS A 7 -3.302 11.264 -5.654 1.00 0.00 N flip ATOM 0 H HIS A 7 -7.342 9.864 -3.097 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.886 8.806 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.702 11.658 -2.512 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.204 11.191 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.796 12.763 -4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.178 9.300 -6.484 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.857 11.822 -6.383 1.00 0.00 H new ATOM 103 N LEU A 8 -5.371 10.324 0.384 1.00 0.00 N ATOM 104 CA LEU A 8 -5.804 10.616 1.746 1.00 0.00 C ATOM 105 C LEU A 8 -5.165 11.905 2.255 1.00 0.00 C ATOM 106 O LEU A 8 -3.970 11.943 2.546 1.00 0.00 O ATOM 107 CB LEU A 8 -5.450 9.455 2.677 1.00 0.00 C ATOM 108 CG LEU A 8 -5.674 8.061 2.088 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.841 7.028 2.829 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.149 7.694 2.137 1.00 0.00 C ATOM 0 H LEU A 8 -4.383 10.507 0.207 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.886 10.747 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.403 9.547 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.041 9.547 3.588 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.357 8.072 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.014 6.043 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.785 7.282 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.127 7.017 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.291 6.699 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.491 7.700 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.724 8.419 1.560 1.00 0.00 H new ATOM 122 N HIS A 9 -5.970 12.957 2.360 1.00 0.00 N ATOM 123 CA HIS A 9 -5.484 14.247 2.834 1.00 0.00 C ATOM 124 C HIS A 9 -5.870 14.472 4.292 1.00 0.00 C ATOM 125 O HIS A 9 -6.091 15.605 4.719 1.00 0.00 O ATOM 126 CB HIS A 9 -6.042 15.377 1.967 1.00 0.00 C ATOM 127 CG HIS A 9 -5.846 15.157 0.499 1.00 0.00 C ATOM 128 ND1 HIS A 9 -4.811 15.724 -0.215 1.00 0.00 N ATOM 129 CD2 HIS A 9 -6.559 14.427 -0.390 1.00 0.00 C ATOM 130 CE1 HIS A 9 -4.897 15.353 -1.480 1.00 0.00 C ATOM 131 NE2 HIS A 9 -5.948 14.566 -1.613 1.00 0.00 N ATOM 0 H HIS A 9 -6.962 12.941 2.123 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.396 14.245 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.107 15.488 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.563 16.314 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.443 13.844 -0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.222 15.644 -2.271 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.257 14.131 -2.483 1.00 0.00 H new ATOM 140 N ASN A 10 -5.949 13.384 5.052 1.00 0.00 N ATOM 141 CA ASN A 10 -6.308 13.462 6.464 1.00 0.00 C ATOM 142 C ASN A 10 -6.188 12.097 7.132 1.00 0.00 C ATOM 143 O ASN A 10 -6.563 11.076 6.555 1.00 0.00 O ATOM 144 CB ASN A 10 -7.733 13.995 6.619 1.00 0.00 C ATOM 145 CG ASN A 10 -7.890 14.881 7.840 1.00 0.00 C ATOM 146 OD1 ASN A 10 -7.932 14.397 8.971 1.00 0.00 O ATOM 147 ND2 ASN A 10 -7.976 16.187 7.616 1.00 0.00 N ATOM 0 H ASN A 10 -5.769 12.439 4.714 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.615 14.147 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.006 14.559 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.426 13.156 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.081 16.833 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.937 16.544 6.661 1.00 0.00 H new ATOM 154 N GLY A 11 -5.661 12.085 8.352 1.00 0.00 N ATOM 155 CA GLY A 11 -5.501 10.840 9.079 1.00 0.00 C ATOM 156 C GLY A 11 -6.819 10.124 9.303 1.00 0.00 C ATOM 157 O GLY A 11 -6.869 8.895 9.327 1.00 0.00 O ATOM 0 H GLY A 11 -5.342 12.916 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.825 10.186 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.033 11.043 10.042 1.00 0.00 H new ATOM 161 N TRP A 12 -7.888 10.897 9.467 1.00 0.00 N ATOM 162 CA TRP A 12 -9.213 10.329 9.689 1.00 0.00 C ATOM 163 C TRP A 12 -9.639 9.463 8.510 1.00 0.00 C ATOM 164 O TRP A 12 -10.251 8.409 8.689 1.00 0.00 O ATOM 165 CB TRP A 12 -10.236 11.444 9.914 1.00 0.00 C ATOM 166 CG TRP A 12 -10.043 12.176 11.208 1.00 0.00 C ATOM 167 CD1 TRP A 12 -8.991 12.977 11.547 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.925 12.171 12.335 1.00 0.00 C ATOM 169 NE1 TRP A 12 -9.166 13.472 12.816 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.346 12.992 13.321 1.00 0.00 C ATOM 171 CE3 TRP A 12 -12.150 11.555 12.607 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -10.949 13.211 14.558 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -12.748 11.773 13.834 1.00 0.00 C ATOM 174 CH2 TRP A 12 -12.147 12.596 14.795 1.00 0.00 C ATOM 0 H TRP A 12 -7.863 11.917 9.450 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.167 9.701 10.579 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.175 12.155 9.090 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.239 11.017 9.893 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.145 13.190 10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.522 14.095 13.303 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.621 10.920 11.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.487 13.843 15.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.694 11.301 14.055 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -12.640 12.748 15.744 1.00 0.00 H new ATOM 185 N GLN A 13 -9.313 9.912 7.302 1.00 0.00 N ATOM 186 CA GLN A 13 -9.662 9.177 6.092 1.00 0.00 C ATOM 187 C GLN A 13 -8.760 7.961 5.914 1.00 0.00 C ATOM 188 O GLN A 13 -9.178 6.940 5.370 1.00 0.00 O ATOM 189 CB GLN A 13 -9.557 10.089 4.868 1.00 0.00 C ATOM 190 CG GLN A 13 -10.704 11.079 4.745 1.00 0.00 C ATOM 191 CD GLN A 13 -10.466 12.349 5.537 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.623 12.373 6.758 1.00 0.00 O ATOM 193 NE2 GLN A 13 -10.085 13.415 4.843 1.00 0.00 N ATOM 0 H GLN A 13 -8.807 10.782 7.135 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.691 8.831 6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.617 10.639 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.522 9.474 3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.849 11.332 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.624 10.608 5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.967 13.350 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.910 14.299 5.321 1.00 0.00 H new ATOM 202 N VAL A 14 -7.519 8.080 6.377 1.00 0.00 N ATOM 203 CA VAL A 14 -6.557 6.990 6.268 1.00 0.00 C ATOM 204 C VAL A 14 -6.958 5.814 7.152 1.00 0.00 C ATOM 205 O VAL A 14 -7.112 4.689 6.676 1.00 0.00 O ATOM 206 CB VAL A 14 -5.139 7.451 6.656 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.125 6.349 6.386 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.765 8.722 5.908 1.00 0.00 C ATOM 0 H VAL A 14 -7.157 8.919 6.830 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.554 6.673 5.225 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.130 7.669 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.130 6.694 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.382 5.467 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.136 6.096 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.760 9.031 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.793 8.534 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.473 9.512 6.157 1.00 0.00 H new ATOM 218 N ASP A 15 -7.124 6.081 8.444 1.00 0.00 N ATOM 219 CA ASP A 15 -7.507 5.044 9.396 1.00 0.00 C ATOM 220 C ASP A 15 -8.851 4.429 9.019 1.00 0.00 C ATOM 221 O ASP A 15 -9.097 3.249 9.274 1.00 0.00 O ATOM 222 CB ASP A 15 -7.576 5.623 10.810 1.00 0.00 C ATOM 223 CG ASP A 15 -7.692 4.546 11.871 1.00 0.00 C ATOM 224 OD1 ASP A 15 -6.792 3.681 11.938 1.00 0.00 O ATOM 225 OD2 ASP A 15 -8.680 4.567 12.634 1.00 0.00 O ATOM 0 H ASP A 15 -6.999 7.006 8.855 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.749 4.261 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.684 6.221 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.431 6.295 10.883 1.00 0.00 H new ATOM 230 N GLN A 16 -9.716 5.234 8.413 1.00 0.00 N ATOM 231 CA GLN A 16 -11.035 4.768 8.001 1.00 0.00 C ATOM 232 C GLN A 16 -10.932 3.838 6.796 1.00 0.00 C ATOM 233 O GLN A 16 -11.690 2.875 6.675 1.00 0.00 O ATOM 234 CB GLN A 16 -11.938 5.956 7.668 1.00 0.00 C ATOM 235 CG GLN A 16 -12.479 6.673 8.894 1.00 0.00 C ATOM 236 CD GLN A 16 -13.166 7.980 8.550 1.00 0.00 C ATOM 237 OE1 GLN A 16 -12.607 8.822 7.846 1.00 0.00 O ATOM 238 NE2 GLN A 16 -14.385 8.157 9.047 1.00 0.00 N ATOM 0 H GLN A 16 -9.528 6.213 8.196 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.471 4.211 8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.379 6.667 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.775 5.607 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.184 6.021 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.660 6.869 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.810 7.432 9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.896 9.017 8.850 1.00 0.00 H new ATOM 247 N ALA A 17 -9.990 4.134 5.906 1.00 0.00 N ATOM 248 CA ALA A 17 -9.789 3.325 4.710 1.00 0.00 C ATOM 249 C ALA A 17 -9.309 1.922 5.069 1.00 0.00 C ATOM 250 O ALA A 17 -9.689 0.942 4.429 1.00 0.00 O ATOM 251 CB ALA A 17 -8.795 4.001 3.778 1.00 0.00 C ATOM 0 H ALA A 17 -9.355 4.927 5.991 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.747 3.233 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.654 3.386 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.177 4.979 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.841 4.122 4.290 1.00 0.00 H new ATOM 257 N ILE A 18 -8.473 1.834 6.099 1.00 0.00 N ATOM 258 CA ILE A 18 -7.942 0.552 6.544 1.00 0.00 C ATOM 259 C ILE A 18 -9.012 -0.269 7.257 1.00 0.00 C ATOM 260 O ILE A 18 -9.306 -1.398 6.865 1.00 0.00 O ATOM 261 CB ILE A 18 -6.740 0.738 7.489 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.722 1.699 6.872 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.092 -0.604 7.795 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.098 1.181 5.595 1.00 0.00 C ATOM 0 H ILE A 18 -8.149 2.636 6.640 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.613 0.020 5.651 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.097 1.168 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.211 2.651 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.933 1.895 7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.244 -0.455 8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.820 -1.259 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.746 -1.061 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.387 1.914 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.580 0.244 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.877 1.011 4.852 1.00 0.00 H new ATOM 276 N LEU A 19 -9.590 0.307 8.306 1.00 0.00 N ATOM 277 CA LEU A 19 -10.627 -0.371 9.076 1.00 0.00 C ATOM 278 C LEU A 19 -11.818 -0.725 8.190 1.00 0.00 C ATOM 279 O LEU A 19 -12.448 -1.767 8.369 1.00 0.00 O ATOM 280 CB LEU A 19 -11.086 0.509 10.239 1.00 0.00 C ATOM 281 CG LEU A 19 -12.140 -0.120 11.151 1.00 0.00 C ATOM 282 CD1 LEU A 19 -12.014 0.423 12.566 1.00 0.00 C ATOM 283 CD2 LEU A 19 -13.536 0.134 10.603 1.00 0.00 C ATOM 0 H LEU A 19 -9.358 1.242 8.642 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.205 -1.294 9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.216 0.771 10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.486 1.439 9.835 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.972 -1.197 11.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.772 -0.036 13.201 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.024 0.191 12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.156 1.504 12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.274 -0.320 11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.714 1.208 10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.622 -0.303 9.608 1.00 0.00 H new ATOM 295 N SER A 20 -12.119 0.148 7.236 1.00 0.00 N ATOM 296 CA SER A 20 -13.234 -0.073 6.322 1.00 0.00 C ATOM 297 C SER A 20 -12.780 -0.836 5.080 1.00 0.00 C ATOM 298 O SER A 20 -13.052 -0.424 3.951 1.00 0.00 O ATOM 299 CB SER A 20 -13.859 1.265 5.916 1.00 0.00 C ATOM 300 OG SER A 20 -13.112 1.886 4.885 1.00 0.00 O ATOM 0 H SER A 20 -11.607 1.015 7.075 1.00 0.00 H new ATOM 0 HA SER A 20 -13.982 -0.674 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.884 1.104 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.907 1.925 6.782 1.00 0.00 H new ATOM 0 HG SER A 20 -12.589 2.625 5.260 1.00 0.00 H new ATOM 306 N GLU A 21 -12.088 -1.949 5.295 1.00 0.00 N ATOM 307 CA GLU A 21 -11.598 -2.768 4.193 1.00 0.00 C ATOM 308 C GLU A 21 -12.635 -3.810 3.786 1.00 0.00 C ATOM 309 O GLU A 21 -12.421 -5.013 3.947 1.00 0.00 O ATOM 310 CB GLU A 21 -10.289 -3.458 4.585 1.00 0.00 C ATOM 311 CG GLU A 21 -10.418 -4.361 5.801 1.00 0.00 C ATOM 312 CD GLU A 21 -10.278 -5.831 5.454 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.475 -6.155 4.554 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.971 -6.658 6.084 1.00 0.00 O ATOM 0 H GLU A 21 -11.854 -2.305 6.222 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.414 -2.114 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.932 -4.048 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.533 -2.698 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.657 -4.090 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.387 -4.193 6.272 1.00 0.00 H new ATOM 321 N GLU A 22 -13.762 -3.341 3.259 1.00 0.00 N ATOM 322 CA GLU A 22 -14.832 -4.233 2.828 1.00 0.00 C ATOM 323 C GLU A 22 -14.523 -4.829 1.459 1.00 0.00 C ATOM 324 O GLU A 22 -15.264 -4.626 0.498 1.00 0.00 O ATOM 325 CB GLU A 22 -16.164 -3.479 2.785 1.00 0.00 C ATOM 326 CG GLU A 22 -17.366 -4.349 3.116 1.00 0.00 C ATOM 327 CD GLU A 22 -18.542 -3.544 3.634 1.00 0.00 C ATOM 328 OE1 GLU A 22 -19.343 -3.063 2.807 1.00 0.00 O ATOM 329 OE2 GLU A 22 -18.660 -3.394 4.869 1.00 0.00 O ATOM 0 H GLU A 22 -13.957 -2.350 3.120 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.908 -5.048 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.124 -2.647 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.298 -3.051 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.670 -4.897 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.080 -5.089 3.863 1.00 0.00 H new ATOM 336 N ASP A 23 -13.421 -5.569 1.377 1.00 0.00 N ATOM 337 CA ASP A 23 -13.012 -6.195 0.126 1.00 0.00 C ATOM 338 C ASP A 23 -12.134 -7.412 0.386 1.00 0.00 C ATOM 339 O ASP A 23 -12.542 -8.549 0.152 1.00 0.00 O ATOM 340 CB ASP A 23 -12.267 -5.189 -0.754 1.00 0.00 C ATOM 341 CG ASP A 23 -13.078 -3.935 -1.013 1.00 0.00 C ATOM 342 OD1 ASP A 23 -13.111 -3.056 -0.127 1.00 0.00 O ATOM 343 OD2 ASP A 23 -13.681 -3.832 -2.103 1.00 0.00 O ATOM 0 H ASP A 23 -12.796 -5.749 2.163 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.911 -6.525 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.327 -4.917 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.016 -5.659 -1.705 1.00 0.00 H new ATOM 348 N ARG A 24 -10.928 -7.159 0.871 1.00 0.00 N ATOM 349 CA ARG A 24 -9.982 -8.228 1.168 1.00 0.00 C ATOM 350 C ARG A 24 -8.700 -7.671 1.772 1.00 0.00 C ATOM 351 O ARG A 24 -8.435 -7.838 2.963 1.00 0.00 O ATOM 352 CB ARG A 24 -9.661 -9.023 -0.100 1.00 0.00 C ATOM 353 CG ARG A 24 -8.727 -10.198 0.136 1.00 0.00 C ATOM 354 CD ARG A 24 -8.512 -11.003 -1.136 1.00 0.00 C ATOM 355 NE ARG A 24 -9.678 -11.817 -1.470 1.00 0.00 N ATOM 356 CZ ARG A 24 -9.633 -12.892 -2.255 1.00 0.00 C ATOM 357 NH1 ARG A 24 -8.483 -13.286 -2.789 1.00 0.00 N ATOM 358 NH2 ARG A 24 -10.742 -13.574 -2.507 1.00 0.00 N ATOM 0 H ARG A 24 -10.579 -6.221 1.068 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.444 -8.893 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.591 -9.391 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.211 -8.354 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.768 -9.834 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.141 -10.843 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.294 -10.326 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.642 -11.648 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.580 -11.546 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.627 -12.765 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.455 -14.110 -3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.628 -13.275 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.709 -14.397 -3.108 1.00 0.00 H new ATOM 372 N VAL A 25 -7.910 -7.008 0.942 1.00 0.00 N ATOM 373 CA VAL A 25 -6.649 -6.419 1.383 1.00 0.00 C ATOM 374 C VAL A 25 -6.654 -4.907 1.174 1.00 0.00 C ATOM 375 O VAL A 25 -7.654 -4.337 0.737 1.00 0.00 O ATOM 376 CB VAL A 25 -5.437 -7.026 0.638 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.237 -7.130 1.565 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.781 -8.390 0.053 1.00 0.00 C ATOM 0 H VAL A 25 -8.119 -6.862 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.553 -6.644 2.445 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.181 -6.360 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.394 -7.559 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.969 -6.137 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.486 -7.769 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.911 -8.794 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.072 -9.067 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.607 -8.286 -0.651 1.00 0.00 H new ATOM 388 N VAL A 26 -5.532 -4.263 1.480 1.00 0.00 N ATOM 389 CA VAL A 26 -5.411 -2.832 1.319 1.00 0.00 C ATOM 390 C VAL A 26 -3.953 -2.387 1.390 1.00 0.00 C ATOM 391 O VAL A 26 -3.196 -2.838 2.248 1.00 0.00 O ATOM 392 CB VAL A 26 -6.238 -2.071 2.375 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.769 -2.418 3.780 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.173 -0.568 2.137 1.00 0.00 C ATOM 0 H VAL A 26 -4.694 -4.719 1.842 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.804 -2.592 0.331 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.278 -2.382 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.366 -1.870 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.884 -3.489 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.720 -2.144 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.764 -0.054 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.137 -0.235 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.571 -0.339 1.149 1.00 0.00 H new ATOM 404 N VAL A 27 -3.563 -1.503 0.477 1.00 0.00 N ATOM 405 CA VAL A 27 -2.196 -1.002 0.434 1.00 0.00 C ATOM 406 C VAL A 27 -2.148 0.495 0.728 1.00 0.00 C ATOM 407 O VAL A 27 -3.069 1.237 0.385 1.00 0.00 O ATOM 408 CB VAL A 27 -1.531 -1.265 -0.936 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.633 -2.492 -0.873 1.00 0.00 C ATOM 410 CG2 VAL A 27 -2.578 -1.416 -2.032 1.00 0.00 C ATOM 0 H VAL A 27 -4.176 -1.119 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.644 -1.542 1.203 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.912 -0.402 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.175 -2.658 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.147 -2.334 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.227 -3.364 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.083 -1.600 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.234 -2.254 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.168 -0.502 -2.100 1.00 0.00 H new ATOM 420 N ILE A 28 -1.065 0.931 1.361 1.00 0.00 N ATOM 421 CA ILE A 28 -0.886 2.338 1.701 1.00 0.00 C ATOM 422 C ILE A 28 0.548 2.780 1.435 1.00 0.00 C ATOM 423 O ILE A 28 1.459 2.457 2.199 1.00 0.00 O ATOM 424 CB ILE A 28 -1.230 2.609 3.179 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.583 1.991 3.532 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.234 4.104 3.456 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.734 2.555 2.726 1.00 0.00 C ATOM 0 H ILE A 28 -0.295 0.328 1.650 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.567 2.909 1.070 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.467 2.146 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.533 0.914 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.780 2.150 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.479 4.279 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.249 4.517 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.978 4.589 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.662 2.071 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.810 3.628 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.559 2.373 1.666 1.00 0.00 H new ATOM 439 N ARG A 29 0.746 3.514 0.345 1.00 0.00 N ATOM 440 CA ARG A 29 2.075 3.991 -0.022 1.00 0.00 C ATOM 441 C ARG A 29 2.250 5.463 0.337 1.00 0.00 C ATOM 442 O ARG A 29 1.610 6.336 -0.249 1.00 0.00 O ATOM 443 CB ARG A 29 2.321 3.785 -1.518 1.00 0.00 C ATOM 444 CG ARG A 29 1.267 4.426 -2.407 1.00 0.00 C ATOM 445 CD ARG A 29 1.488 4.086 -3.873 1.00 0.00 C ATOM 446 NE ARG A 29 1.348 2.654 -4.131 1.00 0.00 N ATOM 447 CZ ARG A 29 1.044 2.140 -5.321 1.00 0.00 C ATOM 448 NH1 ARG A 29 0.845 2.933 -6.366 1.00 0.00 N ATOM 449 NH2 ARG A 29 0.937 0.825 -5.467 1.00 0.00 N ATOM 0 H ARG A 29 0.005 3.791 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 29 2.806 3.412 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.298 4.194 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.358 2.716 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.277 4.088 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.289 5.508 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.773 4.636 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.483 4.413 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 29 1.492 2.010 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.925 3.944 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.612 2.531 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.088 0.209 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.704 0.430 -6.378 1.00 0.00 H new ATOM 463 N PHE A 30 3.120 5.732 1.307 1.00 0.00 N ATOM 464 CA PHE A 30 3.378 7.098 1.744 1.00 0.00 C ATOM 465 C PHE A 30 4.817 7.511 1.438 1.00 0.00 C ATOM 466 O PHE A 30 5.697 6.664 1.284 1.00 0.00 O ATOM 467 CB PHE A 30 3.082 7.238 3.241 1.00 0.00 C ATOM 468 CG PHE A 30 4.187 6.766 4.145 1.00 0.00 C ATOM 469 CD1 PHE A 30 5.305 7.555 4.366 1.00 0.00 C ATOM 470 CD2 PHE A 30 4.104 5.538 4.782 1.00 0.00 C ATOM 471 CE1 PHE A 30 6.319 7.128 5.203 1.00 0.00 C ATOM 472 CE2 PHE A 30 5.114 5.105 5.619 1.00 0.00 C ATOM 473 CZ PHE A 30 6.223 5.902 5.830 1.00 0.00 C ATOM 0 H PHE A 30 3.657 5.021 1.804 1.00 0.00 H new ATOM 0 HA PHE A 30 2.716 7.765 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.874 8.285 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.176 6.677 3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.385 8.515 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.239 4.912 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.185 7.753 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.037 4.145 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.014 5.566 6.485 1.00 0.00 H new ATOM 483 N GLY A 31 5.046 8.817 1.352 1.00 0.00 N ATOM 484 CA GLY A 31 6.376 9.321 1.066 1.00 0.00 C ATOM 485 C GLY A 31 6.381 10.806 0.762 1.00 0.00 C ATOM 486 O GLY A 31 6.742 11.619 1.614 1.00 0.00 O ATOM 0 H GLY A 31 4.333 9.536 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.026 9.126 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.792 8.778 0.217 1.00 0.00 H new ATOM 490 N HIS A 32 5.979 11.161 -0.453 1.00 0.00 N ATOM 491 CA HIS A 32 5.938 12.558 -0.867 1.00 0.00 C ATOM 492 C HIS A 32 5.193 12.713 -2.190 1.00 0.00 C ATOM 493 O HIS A 32 5.219 11.819 -3.036 1.00 0.00 O ATOM 494 CB HIS A 32 7.358 13.114 -1.001 1.00 0.00 C ATOM 495 CG HIS A 32 7.489 14.535 -0.549 1.00 0.00 C ATOM 496 ND1 HIS A 32 8.339 14.928 0.464 1.00 0.00 N ATOM 497 CD2 HIS A 32 6.872 15.662 -0.978 1.00 0.00 C ATOM 498 CE1 HIS A 32 8.239 16.233 0.638 1.00 0.00 C ATOM 499 NE2 HIS A 32 7.356 16.702 -0.224 1.00 0.00 N ATOM 0 H HIS A 32 5.677 10.500 -1.169 1.00 0.00 H new ATOM 0 HA HIS A 32 5.404 13.122 -0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.039 12.492 -0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.671 13.042 -2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.137 15.730 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.787 16.817 1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.078 17.679 -0.315 1.00 0.00 H new ATOM 508 N ASP A 33 4.529 13.851 -2.359 1.00 0.00 N ATOM 509 CA ASP A 33 3.775 14.121 -3.578 1.00 0.00 C ATOM 510 C ASP A 33 4.706 14.217 -4.783 1.00 0.00 C ATOM 511 O ASP A 33 4.370 13.762 -5.877 1.00 0.00 O ATOM 512 CB ASP A 33 2.977 15.419 -3.431 1.00 0.00 C ATOM 513 CG ASP A 33 1.581 15.180 -2.889 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.945 14.188 -3.304 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.123 15.985 -2.051 1.00 0.00 O ATOM 0 H ASP A 33 4.497 14.601 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 33 3.084 13.294 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.511 16.097 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.908 15.912 -4.401 1.00 0.00 H new ATOM 520 N TRP A 34 5.876 14.813 -4.577 1.00 0.00 N ATOM 521 CA TRP A 34 6.854 14.967 -5.647 1.00 0.00 C ATOM 522 C TRP A 34 8.004 13.979 -5.481 1.00 0.00 C ATOM 523 O TRP A 34 9.156 14.299 -5.773 1.00 0.00 O ATOM 524 CB TRP A 34 7.395 16.398 -5.668 1.00 0.00 C ATOM 525 CG TRP A 34 8.195 16.713 -6.895 1.00 0.00 C ATOM 526 CD1 TRP A 34 7.779 16.617 -8.191 1.00 0.00 C ATOM 527 CD2 TRP A 34 9.551 17.173 -6.940 1.00 0.00 C ATOM 528 NE1 TRP A 34 8.793 16.989 -9.041 1.00 0.00 N ATOM 529 CE2 TRP A 34 9.890 17.335 -8.296 1.00 0.00 C ATOM 530 CE3 TRP A 34 10.510 17.464 -5.965 1.00 0.00 C ATOM 531 CZ2 TRP A 34 11.149 17.775 -8.701 1.00 0.00 C ATOM 532 CZ3 TRP A 34 11.757 17.900 -6.369 1.00 0.00 C ATOM 533 CH2 TRP A 34 12.067 18.053 -7.726 1.00 0.00 C ATOM 0 H TRP A 34 6.170 15.197 -3.679 1.00 0.00 H new ATOM 0 HA TRP A 34 6.355 14.759 -6.594 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.560 17.095 -5.599 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.017 16.557 -4.787 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.796 16.296 -8.503 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.738 17.005 -10.059 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.280 17.350 -4.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.391 17.892 -9.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.506 18.127 -5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.051 18.397 -8.008 1.00 0.00 H new ATOM 544 N ASP A 35 7.683 12.778 -5.012 1.00 0.00 N ATOM 545 CA ASP A 35 8.689 11.743 -4.808 1.00 0.00 C ATOM 546 C ASP A 35 8.856 10.892 -6.067 1.00 0.00 C ATOM 547 O ASP A 35 7.893 10.654 -6.795 1.00 0.00 O ATOM 548 CB ASP A 35 8.305 10.857 -3.620 1.00 0.00 C ATOM 549 CG ASP A 35 9.422 10.740 -2.602 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.595 11.682 -1.800 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.123 9.706 -2.606 1.00 0.00 O ATOM 0 H ASP A 35 6.734 12.498 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 35 9.640 12.230 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.418 11.266 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.041 9.863 -3.982 1.00 0.00 H new ATOM 556 N PRO A 36 10.085 10.418 -6.337 1.00 0.00 N ATOM 557 CA PRO A 36 10.370 9.589 -7.512 1.00 0.00 C ATOM 558 C PRO A 36 9.544 8.306 -7.527 1.00 0.00 C ATOM 559 O PRO A 36 8.712 8.104 -8.412 1.00 0.00 O ATOM 560 CB PRO A 36 11.865 9.265 -7.384 1.00 0.00 C ATOM 561 CG PRO A 36 12.211 9.550 -5.962 1.00 0.00 C ATOM 562 CD PRO A 36 11.288 10.649 -5.522 1.00 0.00 C ATOM 0 HA PRO A 36 10.118 10.104 -8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.064 8.223 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.459 9.876 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.082 8.662 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.253 9.855 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.070 10.590 -4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.717 11.634 -5.706 1.00 0.00 H new ATOM 570 N THR A 37 9.779 7.444 -6.544 1.00 0.00 N ATOM 571 CA THR A 37 9.062 6.184 -6.443 1.00 0.00 C ATOM 572 C THR A 37 7.555 6.418 -6.425 1.00 0.00 C ATOM 573 O THR A 37 6.781 5.575 -6.878 1.00 0.00 O ATOM 574 CB THR A 37 9.491 5.429 -5.184 1.00 0.00 C ATOM 575 OG1 THR A 37 10.885 5.178 -5.203 1.00 0.00 O ATOM 576 CG2 THR A 37 8.787 4.100 -5.009 1.00 0.00 C ATOM 0 H THR A 37 10.464 7.598 -5.804 1.00 0.00 H new ATOM 0 HA THR A 37 9.307 5.582 -7.318 1.00 0.00 H new ATOM 0 HB THR A 37 9.216 6.077 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.218 5.110 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.139 3.619 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.712 4.264 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.003 3.459 -5.864 1.00 0.00 H new ATOM 584 N CYS A 38 7.149 7.568 -5.899 1.00 0.00 N ATOM 585 CA CYS A 38 5.735 7.918 -5.823 1.00 0.00 C ATOM 586 C CYS A 38 5.097 7.900 -7.208 1.00 0.00 C ATOM 587 O CYS A 38 4.031 7.317 -7.405 1.00 0.00 O ATOM 588 CB CYS A 38 5.563 9.299 -5.187 1.00 0.00 C ATOM 589 SG CYS A 38 3.851 9.715 -4.778 1.00 0.00 S ATOM 0 H CYS A 38 7.779 8.274 -5.519 1.00 0.00 H new ATOM 0 HA CYS A 38 5.235 7.175 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.164 9.346 -4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.956 10.053 -5.869 1.00 0.00 H new ATOM 0 HG CYS A 38 3.834 10.704 -3.935 1.00 0.00 H new ATOM 595 N MET A 39 5.761 8.540 -8.167 1.00 0.00 N ATOM 596 CA MET A 39 5.261 8.593 -9.536 1.00 0.00 C ATOM 597 C MET A 39 5.234 7.201 -10.155 1.00 0.00 C ATOM 598 O MET A 39 4.321 6.862 -10.908 1.00 0.00 O ATOM 599 CB MET A 39 6.130 9.525 -10.382 1.00 0.00 C ATOM 600 CG MET A 39 6.053 10.983 -9.957 1.00 0.00 C ATOM 601 SD MET A 39 7.176 12.039 -10.891 1.00 0.00 S ATOM 602 CE MET A 39 6.228 13.556 -10.970 1.00 0.00 C ATOM 0 H MET A 39 6.645 9.028 -8.021 1.00 0.00 H new ATOM 0 HA MET A 39 4.243 8.981 -9.512 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.167 9.193 -10.325 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.826 9.443 -11.426 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.032 11.342 -10.086 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.286 11.061 -8.895 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.792 14.309 -11.520 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.282 13.368 -11.479 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.031 13.915 -9.960 1.00 0.00 H new ATOM 612 N LYS A 40 6.240 6.396 -9.829 1.00 0.00 N ATOM 613 CA LYS A 40 6.332 5.037 -10.351 1.00 0.00 C ATOM 614 C LYS A 40 5.247 4.152 -9.747 1.00 0.00 C ATOM 615 O LYS A 40 4.677 3.298 -10.425 1.00 0.00 O ATOM 616 CB LYS A 40 7.711 4.446 -10.053 1.00 0.00 C ATOM 617 CG LYS A 40 8.764 4.804 -11.089 1.00 0.00 C ATOM 618 CD LYS A 40 9.309 6.206 -10.867 1.00 0.00 C ATOM 619 CE LYS A 40 10.526 6.192 -9.955 1.00 0.00 C ATOM 620 NZ LYS A 40 11.781 5.922 -10.709 1.00 0.00 N ATOM 0 H LYS A 40 7.003 6.661 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 40 6.188 5.077 -11.431 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.043 4.794 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.627 3.361 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.581 4.083 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.332 4.734 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.577 6.650 -11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.533 6.835 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.608 7.152 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.394 5.432 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.587 5.921 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.713 4.995 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.921 6.661 -11.427 1.00 0.00 H new ATOM 634 N MET A 41 4.967 4.364 -8.464 1.00 0.00 N ATOM 635 CA MET A 41 3.950 3.589 -7.762 1.00 0.00 C ATOM 636 C MET A 41 2.599 3.702 -8.461 1.00 0.00 C ATOM 637 O MET A 41 2.075 2.718 -8.982 1.00 0.00 O ATOM 638 CB MET A 41 3.831 4.063 -6.313 1.00 0.00 C ATOM 639 CG MET A 41 5.111 3.892 -5.510 1.00 0.00 C ATOM 640 SD MET A 41 4.881 2.877 -4.035 1.00 0.00 S ATOM 641 CE MET A 41 5.558 3.954 -2.774 1.00 0.00 C ATOM 0 H MET A 41 5.431 5.067 -7.889 1.00 0.00 H new ATOM 0 HA MET A 41 4.255 2.542 -7.771 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.545 5.115 -6.306 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.028 3.511 -5.824 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.874 3.438 -6.143 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.484 4.873 -5.216 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.652 3.404 -1.838 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.540 4.308 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.894 4.806 -2.629 1.00 0.00 H new ATOM 651 N ASP A 42 2.040 4.910 -8.471 1.00 0.00 N ATOM 652 CA ASP A 42 0.749 5.150 -9.110 1.00 0.00 C ATOM 653 C ASP A 42 0.758 4.652 -10.552 1.00 0.00 C ATOM 654 O ASP A 42 -0.222 4.074 -11.027 1.00 0.00 O ATOM 655 CB ASP A 42 0.408 6.642 -9.075 1.00 0.00 C ATOM 656 CG ASP A 42 0.253 7.165 -7.661 1.00 0.00 C ATOM 657 OD1 ASP A 42 0.774 6.519 -6.728 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.387 8.223 -7.488 1.00 0.00 O ATOM 0 H ASP A 42 2.460 5.736 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.012 4.598 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.192 7.203 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.516 6.814 -9.627 1.00 0.00 H new ATOM 663 N GLU A 43 1.876 4.870 -11.241 1.00 0.00 N ATOM 664 CA GLU A 43 2.017 4.434 -12.627 1.00 0.00 C ATOM 665 C GLU A 43 1.730 2.942 -12.741 1.00 0.00 C ATOM 666 O GLU A 43 1.151 2.481 -13.725 1.00 0.00 O ATOM 667 CB GLU A 43 3.425 4.738 -13.141 1.00 0.00 C ATOM 668 CG GLU A 43 3.599 6.166 -13.630 1.00 0.00 C ATOM 669 CD GLU A 43 3.399 6.297 -15.128 1.00 0.00 C ATOM 670 OE1 GLU A 43 2.372 5.801 -15.635 1.00 0.00 O ATOM 671 OE2 GLU A 43 4.271 6.897 -15.793 1.00 0.00 O ATOM 0 H GLU A 43 2.695 5.345 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 43 1.297 4.980 -13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.143 4.546 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.661 4.053 -13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.889 6.812 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.597 6.517 -13.368 1.00 0.00 H new ATOM 678 N VAL A 44 2.129 2.198 -11.715 1.00 0.00 N ATOM 679 CA VAL A 44 1.905 0.760 -11.681 1.00 0.00 C ATOM 680 C VAL A 44 0.455 0.460 -11.329 1.00 0.00 C ATOM 681 O VAL A 44 -0.149 -0.471 -11.862 1.00 0.00 O ATOM 682 CB VAL A 44 2.821 0.069 -10.651 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.765 -1.444 -10.814 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.250 0.580 -10.772 1.00 0.00 C ATOM 0 H VAL A 44 2.610 2.569 -10.895 1.00 0.00 H new ATOM 0 HA VAL A 44 2.137 0.372 -12.673 1.00 0.00 H new ATOM 0 HB VAL A 44 2.461 0.314 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.418 -1.914 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.742 -1.789 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.095 -1.714 -11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.879 0.079 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.627 0.372 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.268 1.655 -10.593 1.00 0.00 H new ATOM 694 N LEU A 45 -0.094 1.266 -10.425 1.00 0.00 N ATOM 695 CA LEU A 45 -1.476 1.110 -9.982 1.00 0.00 C ATOM 696 C LEU A 45 -2.418 0.910 -11.167 1.00 0.00 C ATOM 697 O LEU A 45 -3.280 0.033 -11.146 1.00 0.00 O ATOM 698 CB LEU A 45 -1.905 2.339 -9.177 1.00 0.00 C ATOM 699 CG LEU A 45 -2.782 2.054 -7.956 1.00 0.00 C ATOM 700 CD1 LEU A 45 -4.180 1.641 -8.386 1.00 0.00 C ATOM 701 CD2 LEU A 45 -2.152 0.979 -7.082 1.00 0.00 C ATOM 0 H LEU A 45 0.402 2.040 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.533 0.223 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.010 2.865 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.444 3.016 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.860 2.970 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.788 1.443 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.634 2.444 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.122 0.740 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.791 0.791 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.041 0.061 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.172 1.315 -6.742 1.00 0.00 H new ATOM 713 N TYR A 46 -2.245 1.729 -12.197 1.00 0.00 N ATOM 714 CA TYR A 46 -3.079 1.640 -13.389 1.00 0.00 C ATOM 715 C TYR A 46 -2.882 0.302 -14.093 1.00 0.00 C ATOM 716 O TYR A 46 -3.833 -0.294 -14.596 1.00 0.00 O ATOM 717 CB TYR A 46 -2.760 2.787 -14.350 1.00 0.00 C ATOM 718 CG TYR A 46 -3.973 3.328 -15.072 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.804 2.486 -15.801 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.288 4.680 -15.024 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.914 2.976 -16.463 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.397 5.179 -15.683 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.205 4.323 -16.400 1.00 0.00 C ATOM 724 OH TYR A 46 -7.310 4.815 -17.058 1.00 0.00 O ATOM 0 H TYR A 46 -1.536 2.461 -12.231 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.121 1.717 -13.078 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.289 3.596 -13.792 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.034 2.442 -15.086 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.579 1.431 -15.851 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.656 5.353 -14.463 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.550 2.309 -17.026 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.628 6.233 -15.636 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.936 5.196 -16.407 1.00 0.00 H new ATOM 734 N SER A 47 -1.638 -0.161 -14.125 1.00 0.00 N ATOM 735 CA SER A 47 -1.309 -1.429 -14.768 1.00 0.00 C ATOM 736 C SER A 47 -1.399 -2.599 -13.788 1.00 0.00 C ATOM 737 O SER A 47 -0.981 -3.713 -14.105 1.00 0.00 O ATOM 738 CB SER A 47 0.096 -1.365 -15.370 1.00 0.00 C ATOM 739 OG SER A 47 0.153 -2.057 -16.606 1.00 0.00 O ATOM 0 H SER A 47 -0.840 0.322 -13.713 1.00 0.00 H new ATOM 0 HA SER A 47 -2.039 -1.596 -15.560 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.384 -0.324 -15.519 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.814 -1.798 -14.673 1.00 0.00 H new ATOM 0 HG SER A 47 0.827 -1.641 -17.183 1.00 0.00 H new ATOM 745 N ILE A 48 -1.943 -2.347 -12.599 1.00 0.00 N ATOM 746 CA ILE A 48 -2.076 -3.391 -11.588 1.00 0.00 C ATOM 747 C ILE A 48 -3.224 -3.087 -10.627 1.00 0.00 C ATOM 748 O ILE A 48 -3.122 -3.336 -9.426 1.00 0.00 O ATOM 749 CB ILE A 48 -0.769 -3.564 -10.781 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.504 -2.329 -9.912 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.404 -3.821 -11.718 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.403 -2.640 -8.434 1.00 0.00 C ATOM 0 H ILE A 48 -2.297 -1.434 -12.314 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.290 -4.319 -12.118 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.881 -4.426 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.422 -1.856 -10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.304 -1.606 -10.069 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.317 -3.941 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.219 -4.729 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.517 -2.978 -12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.215 -1.720 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.337 -3.085 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.416 -3.339 -8.264 1.00 0.00 H new ATOM 764 N ALA A 49 -4.313 -2.545 -11.162 1.00 0.00 N ATOM 765 CA ALA A 49 -5.475 -2.205 -10.347 1.00 0.00 C ATOM 766 C ALA A 49 -6.665 -3.099 -10.678 1.00 0.00 C ATOM 767 O ALA A 49 -7.113 -3.886 -9.844 1.00 0.00 O ATOM 768 CB ALA A 49 -5.843 -0.742 -10.541 1.00 0.00 C ATOM 0 H ALA A 49 -4.416 -2.332 -12.154 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.213 -2.370 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.711 -0.501 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.003 -0.113 -10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.078 -0.562 -11.590 1.00 0.00 H new ATOM 774 N GLU A 50 -7.178 -2.967 -11.897 1.00 0.00 N ATOM 775 CA GLU A 50 -8.322 -3.753 -12.344 1.00 0.00 C ATOM 776 C GLU A 50 -8.149 -5.235 -12.015 1.00 0.00 C ATOM 777 O GLU A 50 -9.130 -5.959 -11.844 1.00 0.00 O ATOM 778 CB GLU A 50 -8.529 -3.577 -13.849 1.00 0.00 C ATOM 779 CG GLU A 50 -9.415 -2.396 -14.208 1.00 0.00 C ATOM 780 CD GLU A 50 -8.618 -1.156 -14.561 1.00 0.00 C ATOM 781 OE1 GLU A 50 -7.753 -1.241 -15.457 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.861 -0.099 -13.941 1.00 0.00 O ATOM 0 H GLU A 50 -6.817 -2.319 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.201 -3.389 -11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.558 -3.451 -14.328 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.969 -4.487 -14.255 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.051 -2.667 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.075 -2.173 -13.369 1.00 0.00 H new ATOM 789 N LYS A 51 -6.899 -5.682 -11.930 1.00 0.00 N ATOM 790 CA LYS A 51 -6.601 -7.079 -11.625 1.00 0.00 C ATOM 791 C LYS A 51 -7.410 -7.572 -10.427 1.00 0.00 C ATOM 792 O LYS A 51 -7.957 -8.675 -10.448 1.00 0.00 O ATOM 793 CB LYS A 51 -5.106 -7.255 -11.352 1.00 0.00 C ATOM 794 CG LYS A 51 -4.623 -6.521 -10.112 1.00 0.00 C ATOM 795 CD LYS A 51 -3.129 -6.708 -9.900 1.00 0.00 C ATOM 796 CE LYS A 51 -2.806 -8.120 -9.439 1.00 0.00 C ATOM 797 NZ LYS A 51 -1.379 -8.470 -9.681 1.00 0.00 N ATOM 0 H LYS A 51 -6.075 -5.097 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.881 -7.676 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.888 -8.317 -11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.543 -6.901 -12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.848 -5.459 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.164 -6.885 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.599 -6.497 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.773 -5.992 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.028 -8.215 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.448 -8.829 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.090 -9.224 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.264 -8.800 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.785 -7.631 -9.527 1.00 0.00 H new ATOM 811 N VAL A 52 -7.483 -6.751 -9.385 1.00 0.00 N ATOM 812 CA VAL A 52 -8.226 -7.108 -8.182 1.00 0.00 C ATOM 813 C VAL A 52 -8.654 -5.867 -7.404 1.00 0.00 C ATOM 814 O VAL A 52 -8.817 -5.912 -6.185 1.00 0.00 O ATOM 815 CB VAL A 52 -7.395 -8.016 -7.256 1.00 0.00 C ATOM 816 CG1 VAL A 52 -7.117 -9.352 -7.926 1.00 0.00 C ATOM 817 CG2 VAL A 52 -6.096 -7.329 -6.860 1.00 0.00 C ATOM 0 H VAL A 52 -7.037 -5.834 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.113 -7.649 -8.512 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.971 -8.204 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.529 -9.979 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.060 -9.848 -8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.562 -9.187 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.522 -7.985 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.514 -7.109 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.321 -6.400 -6.336 1.00 0.00 H new ATOM 827 N LYS A 53 -8.830 -4.758 -8.117 1.00 0.00 N ATOM 828 CA LYS A 53 -9.234 -3.503 -7.499 1.00 0.00 C ATOM 829 C LYS A 53 -10.465 -3.687 -6.614 1.00 0.00 C ATOM 830 O LYS A 53 -10.675 -2.933 -5.664 1.00 0.00 O ATOM 831 CB LYS A 53 -9.521 -2.453 -8.574 1.00 0.00 C ATOM 832 CG LYS A 53 -9.086 -1.049 -8.185 1.00 0.00 C ATOM 833 CD LYS A 53 -10.189 -0.310 -7.445 1.00 0.00 C ATOM 834 CE LYS A 53 -11.167 0.340 -8.411 1.00 0.00 C ATOM 835 NZ LYS A 53 -12.380 0.850 -7.712 1.00 0.00 N ATOM 0 H LYS A 53 -8.698 -4.705 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.411 -3.163 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.013 -2.740 -9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.590 -2.447 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.197 -1.103 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.810 -0.491 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.723 -1.005 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.750 0.452 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.674 1.162 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.463 -0.384 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.022 1.286 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.865 0.061 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.101 1.559 -7.005 1.00 0.00 H new ATOM 849 N ASN A 54 -11.276 -4.690 -6.934 1.00 0.00 N ATOM 850 CA ASN A 54 -12.489 -4.968 -6.171 1.00 0.00 C ATOM 851 C ASN A 54 -12.171 -5.719 -4.880 1.00 0.00 C ATOM 852 O ASN A 54 -12.905 -5.617 -3.897 1.00 0.00 O ATOM 853 CB ASN A 54 -13.472 -5.778 -7.016 1.00 0.00 C ATOM 854 CG ASN A 54 -14.344 -4.900 -7.891 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.256 -3.673 -7.841 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.192 -5.525 -8.699 1.00 0.00 N ATOM 0 H ASN A 54 -11.116 -5.324 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.944 -4.013 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.918 -6.475 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.105 -6.375 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.804 -4.986 -9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.231 -6.544 -8.707 1.00 0.00 H new ATOM 863 N PHE A 55 -11.079 -6.475 -4.888 1.00 0.00 N ATOM 864 CA PHE A 55 -10.675 -7.243 -3.716 1.00 0.00 C ATOM 865 C PHE A 55 -9.763 -6.423 -2.814 1.00 0.00 C ATOM 866 O PHE A 55 -9.931 -6.399 -1.596 1.00 0.00 O ATOM 867 CB PHE A 55 -9.968 -8.531 -4.143 1.00 0.00 C ATOM 868 CG PHE A 55 -10.750 -9.344 -5.134 1.00 0.00 C ATOM 869 CD1 PHE A 55 -10.683 -9.060 -6.489 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.553 -10.391 -4.711 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.402 -9.806 -7.404 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.273 -11.141 -5.621 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.197 -10.848 -6.969 1.00 0.00 C ATOM 0 H PHE A 55 -10.458 -6.573 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.573 -7.499 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.000 -8.278 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.773 -9.139 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.062 -8.247 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.617 -10.623 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.342 -9.574 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.894 -11.955 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.759 -11.433 -7.682 1.00 0.00 H new ATOM 883 N ALA A 56 -8.798 -5.751 -3.424 1.00 0.00 N ATOM 884 CA ALA A 56 -7.855 -4.923 -2.684 1.00 0.00 C ATOM 885 C ALA A 56 -8.178 -3.443 -2.845 1.00 0.00 C ATOM 886 O ALA A 56 -8.924 -3.054 -3.745 1.00 0.00 O ATOM 887 CB ALA A 56 -6.432 -5.208 -3.141 1.00 0.00 C ATOM 0 H ALA A 56 -8.647 -5.763 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.943 -5.173 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.738 -4.583 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.197 -6.258 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.340 -4.988 -4.205 1.00 0.00 H new ATOM 893 N VAL A 57 -7.612 -2.617 -1.970 1.00 0.00 N ATOM 894 CA VAL A 57 -7.840 -1.179 -2.019 1.00 0.00 C ATOM 895 C VAL A 57 -6.575 -0.417 -1.646 1.00 0.00 C ATOM 896 O VAL A 57 -6.012 -0.620 -0.572 1.00 0.00 O ATOM 897 CB VAL A 57 -8.980 -0.753 -1.076 1.00 0.00 C ATOM 898 CG1 VAL A 57 -10.332 -1.088 -1.686 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.823 -1.414 0.286 1.00 0.00 C ATOM 0 H VAL A 57 -6.992 -2.920 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.123 -0.937 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.927 0.327 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.125 -0.779 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.443 -0.563 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.398 -2.163 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.638 -1.101 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.847 -2.497 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.871 -1.118 0.727 1.00 0.00 H new ATOM 909 N ILE A 58 -6.126 0.454 -2.541 1.00 0.00 N ATOM 910 CA ILE A 58 -4.920 1.233 -2.298 1.00 0.00 C ATOM 911 C ILE A 58 -5.247 2.699 -2.035 1.00 0.00 C ATOM 912 O ILE A 58 -6.331 3.176 -2.370 1.00 0.00 O ATOM 913 CB ILE A 58 -3.938 1.132 -3.484 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.566 1.670 -3.080 1.00 0.00 C ATOM 915 CG2 ILE A 58 -4.476 1.877 -4.701 1.00 0.00 C ATOM 916 CD1 ILE A 58 -1.440 1.179 -3.961 1.00 0.00 C ATOM 0 H ILE A 58 -6.577 0.638 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.447 0.813 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.832 0.082 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.590 2.759 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.361 1.382 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.766 1.791 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.431 1.445 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.616 2.929 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.497 1.601 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.389 0.091 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.621 1.490 -4.990 1.00 0.00 H new ATOM 928 N TYR A 59 -4.293 3.409 -1.440 1.00 0.00 N ATOM 929 CA TYR A 59 -4.458 4.811 -1.136 1.00 0.00 C ATOM 930 C TYR A 59 -3.107 5.488 -0.924 1.00 0.00 C ATOM 931 O TYR A 59 -2.178 4.891 -0.377 1.00 0.00 O ATOM 932 CB TYR A 59 -5.337 4.999 0.104 1.00 0.00 C ATOM 933 CG TYR A 59 -6.763 4.531 -0.080 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.732 5.382 -0.600 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.140 3.240 0.266 1.00 0.00 C ATOM 936 CE1 TYR A 59 -9.036 4.957 -0.768 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.443 2.809 0.100 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.387 3.671 -0.417 1.00 0.00 C ATOM 939 OH TYR A 59 -10.685 3.244 -0.583 1.00 0.00 O ATOM 0 H TYR A 59 -3.391 3.023 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.950 5.278 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.892 4.457 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.343 6.054 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.461 6.390 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.404 2.562 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.777 5.630 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.720 1.802 0.374 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.763 2.313 -0.288 1.00 0.00 H new ATOM 949 N LEU A 60 -3.007 6.739 -1.360 1.00 0.00 N ATOM 950 CA LEU A 60 -1.774 7.504 -1.219 1.00 0.00 C ATOM 951 C LEU A 60 -1.767 8.276 0.095 1.00 0.00 C ATOM 952 O LEU A 60 -2.822 8.628 0.625 1.00 0.00 O ATOM 953 CB LEU A 60 -1.612 8.471 -2.394 1.00 0.00 C ATOM 954 CG LEU A 60 -0.901 7.891 -3.619 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.568 7.645 -3.315 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.579 6.605 -4.067 1.00 0.00 C ATOM 0 H LEU A 60 -3.767 7.245 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.937 6.806 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.600 8.819 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.058 9.345 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.966 8.614 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.058 7.233 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.045 8.586 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.655 6.940 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.061 6.205 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.545 5.875 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.618 6.812 -4.325 1.00 0.00 H new ATOM 968 N VAL A 61 -0.575 8.536 0.619 1.00 0.00 N ATOM 969 CA VAL A 61 -0.437 9.265 1.874 1.00 0.00 C ATOM 970 C VAL A 61 0.774 10.191 1.841 1.00 0.00 C ATOM 971 O VAL A 61 1.914 9.736 1.756 1.00 0.00 O ATOM 972 CB VAL A 61 -0.301 8.306 3.071 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.477 9.058 4.381 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.304 7.166 2.963 1.00 0.00 C ATOM 0 H VAL A 61 0.309 8.253 0.195 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.343 9.858 1.995 1.00 0.00 H new ATOM 0 HB VAL A 61 0.701 7.878 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.378 8.364 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.285 9.833 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.465 9.517 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.191 6.500 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.316 7.572 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.124 6.609 2.043 1.00 0.00 H new ATOM 984 N ASP A 62 0.519 11.493 1.910 1.00 0.00 N ATOM 985 CA ASP A 62 1.591 12.481 1.888 1.00 0.00 C ATOM 986 C ASP A 62 1.996 12.872 3.306 1.00 0.00 C ATOM 987 O ASP A 62 1.173 13.346 4.090 1.00 0.00 O ATOM 988 CB ASP A 62 1.155 13.721 1.104 1.00 0.00 C ATOM 989 CG ASP A 62 1.906 13.871 -0.204 1.00 0.00 C ATOM 990 OD1 ASP A 62 1.667 13.062 -1.124 1.00 0.00 O ATOM 991 OD2 ASP A 62 2.737 14.799 -0.308 1.00 0.00 O ATOM 0 H ASP A 62 -0.419 11.888 1.981 1.00 0.00 H new ATOM 0 HA ASP A 62 2.454 12.036 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.086 13.662 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.315 14.609 1.716 1.00 0.00 H new ATOM 996 N ILE A 63 3.269 12.669 3.629 1.00 0.00 N ATOM 997 CA ILE A 63 3.787 12.998 4.952 1.00 0.00 C ATOM 998 C ILE A 63 3.792 14.507 5.196 1.00 0.00 C ATOM 999 O ILE A 63 3.986 14.959 6.324 1.00 0.00 O ATOM 1000 CB ILE A 63 5.217 12.457 5.146 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.282 10.973 4.778 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.675 12.671 6.583 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.666 10.378 4.911 1.00 0.00 C ATOM 0 H ILE A 63 3.962 12.277 2.991 1.00 0.00 H new ATOM 0 HA ILE A 63 3.120 12.523 5.672 1.00 0.00 H new ATOM 0 HB ILE A 63 5.888 13.005 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.594 10.418 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.938 10.846 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.687 12.284 6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.664 13.736 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.002 12.146 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.637 9.324 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.354 10.907 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.005 10.473 5.942 1.00 0.00 H new ATOM 1015 N THR A 64 3.578 15.285 4.137 1.00 0.00 N ATOM 1016 CA THR A 64 3.563 16.738 4.250 1.00 0.00 C ATOM 1017 C THR A 64 2.170 17.240 4.613 1.00 0.00 C ATOM 1018 O THR A 64 2.022 18.177 5.396 1.00 0.00 O ATOM 1019 CB THR A 64 4.022 17.377 2.940 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.256 16.823 2.517 1.00 0.00 O ATOM 1021 CG2 THR A 64 4.201 18.876 3.034 1.00 0.00 C ATOM 0 H THR A 64 3.413 14.933 3.194 1.00 0.00 H new ATOM 0 HA THR A 64 4.252 17.023 5.045 1.00 0.00 H new ATOM 0 HB THR A 64 3.228 17.167 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.435 17.092 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.528 19.265 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.254 19.339 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.951 19.106 3.791 1.00 0.00 H new ATOM 1029 N GLU A 65 1.152 16.613 4.035 1.00 0.00 N ATOM 1030 CA GLU A 65 -0.228 17.000 4.297 1.00 0.00 C ATOM 1031 C GLU A 65 -0.797 16.226 5.483 1.00 0.00 C ATOM 1032 O GLU A 65 -1.419 16.805 6.374 1.00 0.00 O ATOM 1033 CB GLU A 65 -1.093 16.769 3.055 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.298 15.301 2.716 1.00 0.00 C ATOM 1035 CD GLU A 65 -1.875 15.099 1.329 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -1.704 15.998 0.477 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.497 14.042 1.092 1.00 0.00 O ATOM 0 H GLU A 65 1.256 15.836 3.383 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.239 18.062 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.066 17.236 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.631 17.268 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.344 14.778 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.965 14.851 3.452 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.581 14.915 5.486 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.073 14.061 6.560 1.00 0.00 C ATOM 1046 C VAL A 66 -0.044 13.939 7.683 1.00 0.00 C ATOM 1047 O VAL A 66 1.013 13.335 7.500 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.417 12.652 6.043 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -2.109 11.837 7.126 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -2.283 12.738 4.795 1.00 0.00 C ATOM 0 H VAL A 66 -0.068 14.421 4.756 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.977 14.531 6.948 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.488 12.146 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.344 10.845 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.450 11.745 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.030 12.337 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.516 11.733 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.208 13.264 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.746 13.279 4.016 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.336 14.510 8.867 1.00 0.00 N ATOM 1061 CA PRO A 67 0.577 14.456 10.014 1.00 0.00 C ATOM 1062 C PRO A 67 0.916 13.022 10.414 1.00 0.00 C ATOM 1063 O PRO A 67 0.276 12.445 11.293 1.00 0.00 O ATOM 1064 CB PRO A 67 -0.203 15.152 11.135 1.00 0.00 C ATOM 1065 CG PRO A 67 -1.211 15.997 10.435 1.00 0.00 C ATOM 1066 CD PRO A 67 -1.570 15.252 9.181 1.00 0.00 C ATOM 0 HA PRO A 67 1.534 14.928 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.683 14.426 11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.456 15.757 11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.090 16.156 11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.803 16.981 10.202 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.414 14.581 9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.848 15.931 8.375 1.00 0.00 H new ATOM 1235 N ASP A 77 12.999 9.201 4.673 1.00 0.00 N ATOM 1236 CA ASP A 77 12.842 8.232 3.595 1.00 0.00 C ATOM 1237 C ASP A 77 11.978 8.803 2.471 1.00 0.00 C ATOM 1238 O ASP A 77 10.932 9.399 2.727 1.00 0.00 O ATOM 1239 CB ASP A 77 12.217 6.942 4.130 1.00 0.00 C ATOM 1240 CG ASP A 77 13.260 5.922 4.542 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.377 5.956 3.985 1.00 0.00 O ATOM 1242 OD2 ASP A 77 12.960 5.090 5.424 1.00 0.00 O ATOM 0 HA ASP A 77 13.830 8.009 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.584 7.176 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.572 6.510 3.365 1.00 0.00 H new ATOM 1247 N PRO A 78 12.403 8.629 1.205 1.00 0.00 N ATOM 1248 CA PRO A 78 11.654 9.133 0.048 1.00 0.00 C ATOM 1249 C PRO A 78 10.210 8.646 0.036 1.00 0.00 C ATOM 1250 O PRO A 78 9.274 9.445 0.101 1.00 0.00 O ATOM 1251 CB PRO A 78 12.418 8.564 -1.151 1.00 0.00 C ATOM 1252 CG PRO A 78 13.795 8.311 -0.643 1.00 0.00 C ATOM 1253 CD PRO A 78 13.637 7.931 0.802 1.00 0.00 C ATOM 0 HA PRO A 78 11.589 10.221 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.956 7.646 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.427 9.267 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.279 7.513 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.419 9.198 -0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.547 6.852 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.492 8.250 1.397 1.00 0.00 H new ATOM 1261 N CYS A 79 10.035 7.332 -0.050 1.00 0.00 N ATOM 1262 CA CYS A 79 8.703 6.737 -0.073 1.00 0.00 C ATOM 1263 C CYS A 79 8.738 5.306 0.452 1.00 0.00 C ATOM 1264 O CYS A 79 9.808 4.722 0.618 1.00 0.00 O ATOM 1265 CB CYS A 79 8.140 6.755 -1.494 1.00 0.00 C ATOM 1266 SG CYS A 79 6.335 6.840 -1.572 1.00 0.00 S ATOM 0 H CYS A 79 10.799 6.658 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 79 8.057 7.328 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.557 7.609 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.474 5.859 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 79 5.833 6.461 -0.434 1.00 0.00 H new ATOM 1272 N THR A 80 7.561 4.745 0.709 1.00 0.00 N ATOM 1273 CA THR A 80 7.460 3.380 1.211 1.00 0.00 C ATOM 1274 C THR A 80 6.025 2.870 1.112 1.00 0.00 C ATOM 1275 O THR A 80 5.078 3.656 1.085 1.00 0.00 O ATOM 1276 CB THR A 80 7.944 3.308 2.660 1.00 0.00 C ATOM 1277 OG1 THR A 80 7.963 1.968 3.116 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.089 4.108 3.617 1.00 0.00 C ATOM 0 H THR A 80 6.665 5.214 0.578 1.00 0.00 H new ATOM 0 HA THR A 80 8.095 2.744 0.594 1.00 0.00 H new ATOM 0 HB THR A 80 8.947 3.736 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.277 1.943 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.488 4.014 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.096 5.157 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.067 3.731 3.594 1.00 0.00 H new ATOM 1286 N VAL A 81 5.873 1.552 1.053 1.00 0.00 N ATOM 1287 CA VAL A 81 4.554 0.939 0.952 1.00 0.00 C ATOM 1288 C VAL A 81 4.233 0.109 2.190 1.00 0.00 C ATOM 1289 O VAL A 81 5.128 -0.275 2.942 1.00 0.00 O ATOM 1290 CB VAL A 81 4.453 0.038 -0.296 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.019 -0.423 -0.509 1.00 0.00 C ATOM 1292 CG2 VAL A 81 4.973 0.768 -1.524 1.00 0.00 C ATOM 0 H VAL A 81 6.647 0.888 1.073 1.00 0.00 H new ATOM 0 HA VAL A 81 3.832 1.752 0.869 1.00 0.00 H new ATOM 0 HB VAL A 81 5.073 -0.844 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.968 -1.057 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.685 -0.987 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.375 0.445 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.894 0.117 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.382 1.669 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.017 1.042 -1.369 1.00 0.00 H new ATOM 1302 N MET A 82 2.947 -0.164 2.396 1.00 0.00 N ATOM 1303 CA MET A 82 2.502 -0.950 3.540 1.00 0.00 C ATOM 1304 C MET A 82 1.194 -1.671 3.224 1.00 0.00 C ATOM 1305 O MET A 82 0.330 -1.131 2.534 1.00 0.00 O ATOM 1306 CB MET A 82 2.319 -0.051 4.765 1.00 0.00 C ATOM 1307 CG MET A 82 3.627 0.337 5.436 1.00 0.00 C ATOM 1308 SD MET A 82 3.452 0.572 7.215 1.00 0.00 S ATOM 1309 CE MET A 82 5.167 0.560 7.729 1.00 0.00 C ATOM 0 H MET A 82 2.194 0.149 1.783 1.00 0.00 H new ATOM 0 HA MET A 82 3.267 -1.696 3.758 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.792 0.855 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.686 -0.563 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.371 -0.437 5.247 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.002 1.257 4.987 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.224 0.695 8.809 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.621 -0.393 7.458 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.701 1.370 7.233 1.00 0.00 H new ATOM 1319 N PHE A 83 1.055 -2.893 3.728 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.149 -3.682 3.493 1.00 0.00 C ATOM 1321 C PHE A 83 -0.993 -3.779 4.760 1.00 0.00 C ATOM 1322 O PHE A 83 -0.463 -3.797 5.870 1.00 0.00 O ATOM 1323 CB PHE A 83 0.221 -5.083 2.999 1.00 0.00 C ATOM 1324 CG PHE A 83 0.026 -5.272 1.522 1.00 0.00 C ATOM 1325 CD1 PHE A 83 -1.240 -5.192 0.963 1.00 0.00 C ATOM 1326 CD2 PHE A 83 1.106 -5.529 0.694 1.00 0.00 C ATOM 1327 CE1 PHE A 83 -1.424 -5.364 -0.396 1.00 0.00 C ATOM 1328 CE2 PHE A 83 0.927 -5.704 -0.666 1.00 0.00 C ATOM 1329 CZ PHE A 83 -0.339 -5.621 -1.211 1.00 0.00 C ATOM 0 H PHE A 83 1.760 -3.358 4.301 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.738 -3.180 2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.263 -5.283 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.381 -5.818 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.092 -4.993 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.099 -5.593 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.415 -5.298 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.777 -5.905 -1.301 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.481 -5.757 -2.273 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.309 -3.841 4.585 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.225 -3.937 5.714 1.00 0.00 C ATOM 1341 C PHE A 84 -4.348 -4.927 5.420 1.00 0.00 C ATOM 1342 O PHE A 84 -4.885 -4.962 4.311 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.810 -2.561 6.040 1.00 0.00 C ATOM 1344 CG PHE A 84 -3.094 -1.850 7.153 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.998 -1.045 6.885 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.517 -1.985 8.465 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.337 -0.388 7.906 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.860 -1.331 9.491 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.769 -0.532 9.210 1.00 0.00 C ATOM 0 H PHE A 84 -2.764 -3.826 3.672 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.665 -4.298 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.778 -1.941 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.860 -2.677 6.310 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.657 -0.930 5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.370 -2.608 8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.484 0.237 7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.199 -1.445 10.510 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.254 -0.020 10.009 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.698 -5.729 6.420 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.754 -6.722 6.273 1.00 0.00 C ATOM 1361 C PHE A 85 -6.543 -6.867 7.569 1.00 0.00 C ATOM 1362 O PHE A 85 -5.979 -6.812 8.661 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.161 -8.071 5.871 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.142 -8.979 5.185 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -7.208 -9.522 5.885 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.999 -9.289 3.843 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.113 -10.358 5.257 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.900 -10.124 3.210 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.958 -10.659 3.919 1.00 0.00 C ATOM 0 H PHE A 85 -4.264 -5.710 7.343 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.432 -6.384 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.311 -7.902 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.778 -8.570 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.333 -9.290 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.173 -8.873 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.940 -10.775 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.777 -10.358 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.663 -11.312 3.427 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.853 -7.057 7.441 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.723 -7.212 8.603 1.00 0.00 C ATOM 1381 C ARG A 86 -8.524 -6.069 9.594 1.00 0.00 C ATOM 1382 O ARG A 86 -8.625 -6.258 10.806 1.00 0.00 O ATOM 1383 CB ARG A 86 -8.453 -8.553 9.291 1.00 0.00 C ATOM 1384 CG ARG A 86 -9.321 -9.688 8.774 1.00 0.00 C ATOM 1385 CD ARG A 86 -8.629 -11.033 8.925 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.535 -12.061 9.434 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.598 -12.507 8.768 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -10.891 -12.021 7.568 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.369 -13.445 9.303 1.00 0.00 N ATOM 0 H ARG A 86 -8.336 -7.107 6.544 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.756 -7.189 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.404 -8.817 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.616 -8.441 10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.266 -9.701 9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.559 -9.516 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.231 -11.346 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.781 -10.930 9.602 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.342 -12.460 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.300 -11.302 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.707 -12.367 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.147 -13.824 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.184 -13.787 8.794 1.00 0.00 H new ATOM 1403 N ASN A 87 -8.238 -4.881 9.070 1.00 0.00 N ATOM 1404 CA ASN A 87 -8.022 -3.706 9.906 1.00 0.00 C ATOM 1405 C ASN A 87 -6.793 -3.888 10.793 1.00 0.00 C ATOM 1406 O ASN A 87 -6.801 -3.524 11.968 1.00 0.00 O ATOM 1407 CB ASN A 87 -9.255 -3.435 10.772 1.00 0.00 C ATOM 1408 CG ASN A 87 -9.137 -2.143 11.559 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.511 -1.184 11.109 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.739 -2.115 12.742 1.00 0.00 N ATOM 0 H ASN A 87 -8.150 -4.707 8.069 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.852 -2.851 9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.139 -3.390 10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.400 -4.266 11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.693 -1.274 13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.247 -2.934 13.075 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.736 -4.454 10.219 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.498 -4.684 10.955 1.00 0.00 C ATOM 1419 C LYS A 88 -3.285 -4.523 10.044 1.00 0.00 C ATOM 1420 O LYS A 88 -3.302 -4.946 8.889 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.502 -6.083 11.575 1.00 0.00 C ATOM 1422 CG LYS A 88 -3.692 -6.183 12.857 1.00 0.00 C ATOM 1423 CD LYS A 88 -3.026 -7.543 12.991 1.00 0.00 C ATOM 1424 CE LYS A 88 -3.817 -8.462 13.907 1.00 0.00 C ATOM 1425 NZ LYS A 88 -2.926 -9.323 14.733 1.00 0.00 N ATOM 0 H LYS A 88 -5.712 -4.762 9.247 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.434 -3.941 11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.531 -6.377 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.107 -6.794 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.932 -5.402 12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.343 -6.009 13.714 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.932 -8.002 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.016 -7.418 13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.452 -7.864 14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.477 -9.091 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.504 -9.935 15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.338 -9.912 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.314 -8.724 15.323 1.00 0.00 H new ATOM 1439 N HIS A 89 -2.232 -3.907 10.573 1.00 0.00 N ATOM 1440 CA HIS A 89 -1.010 -3.688 9.810 1.00 0.00 C ATOM 1441 C HIS A 89 -0.352 -5.016 9.442 1.00 0.00 C ATOM 1442 O HIS A 89 -0.435 -5.989 10.192 1.00 0.00 O ATOM 1443 CB HIS A 89 -0.030 -2.827 10.610 1.00 0.00 C ATOM 1444 CG HIS A 89 0.437 -3.472 11.877 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -0.111 -3.192 13.112 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.407 -4.390 12.099 1.00 0.00 C ATOM 1447 CE1 HIS A 89 0.502 -3.909 14.038 1.00 0.00 C ATOM 1448 NE2 HIS A 89 1.426 -4.645 13.450 1.00 0.00 N ATOM 0 H HIS A 89 -2.202 -3.551 11.528 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.276 -3.166 8.891 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.835 -2.601 9.987 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.507 -1.877 10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.047 -4.839 11.354 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.284 -3.895 15.096 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.053 -5.297 13.921 1.00 0.00 H new ATOM 1457 N ILE A 90 0.299 -5.049 8.284 1.00 0.00 N ATOM 1458 CA ILE A 90 0.970 -6.257 7.822 1.00 0.00 C ATOM 1459 C ILE A 90 2.127 -5.922 6.883 1.00 0.00 C ATOM 1460 O ILE A 90 2.045 -4.985 6.085 1.00 0.00 O ATOM 1461 CB ILE A 90 -0.012 -7.208 7.105 1.00 0.00 C ATOM 1462 CG1 ILE A 90 0.694 -8.505 6.705 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.618 -6.530 5.886 1.00 0.00 C ATOM 1464 CD1 ILE A 90 1.144 -9.338 7.886 1.00 0.00 C ATOM 0 H ILE A 90 0.376 -4.254 7.650 1.00 0.00 H new ATOM 0 HA ILE A 90 1.363 -6.759 8.706 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.818 -7.455 7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.021 -9.099 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.561 -8.263 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.308 -7.216 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.157 -5.635 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.175 -6.253 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.636 -10.242 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.842 -8.761 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.278 -9.611 8.489 1.00 0.00 H new ATOM 1476 N MET A 91 3.203 -6.695 6.988 1.00 0.00 N ATOM 1477 CA MET A 91 4.383 -6.488 6.156 1.00 0.00 C ATOM 1478 C MET A 91 4.036 -6.609 4.673 1.00 0.00 C ATOM 1479 O MET A 91 2.872 -6.495 4.289 1.00 0.00 O ATOM 1480 CB MET A 91 5.471 -7.499 6.532 1.00 0.00 C ATOM 1481 CG MET A 91 6.811 -6.859 6.851 1.00 0.00 C ATOM 1482 SD MET A 91 8.145 -8.066 6.982 1.00 0.00 S ATOM 1483 CE MET A 91 7.983 -8.920 5.416 1.00 0.00 C ATOM 0 H MET A 91 3.282 -7.473 7.643 1.00 0.00 H new ATOM 0 HA MET A 91 4.756 -5.479 6.333 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.138 -8.075 7.396 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.601 -8.203 5.710 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.057 -6.134 6.075 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.732 -6.308 7.788 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.946 -9.345 5.132 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.248 -9.719 5.512 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.656 -8.217 4.650 1.00 0.00 H new ATOM 1493 N ILE A 92 5.053 -6.837 3.845 1.00 0.00 N ATOM 1494 CA ILE A 92 4.865 -6.971 2.403 1.00 0.00 C ATOM 1495 C ILE A 92 4.582 -5.620 1.756 1.00 0.00 C ATOM 1496 O ILE A 92 3.832 -4.807 2.294 1.00 0.00 O ATOM 1497 CB ILE A 92 3.716 -7.941 2.060 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.875 -9.250 2.834 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.680 -8.204 0.560 1.00 0.00 C ATOM 1500 CD1 ILE A 92 5.164 -9.980 2.529 1.00 0.00 C ATOM 0 H ILE A 92 6.021 -6.933 4.151 1.00 0.00 H new ATOM 0 HA ILE A 92 5.796 -7.376 2.007 1.00 0.00 H new ATOM 0 HB ILE A 92 2.771 -7.483 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.831 -9.038 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.034 -9.903 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.865 -8.890 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.524 -7.265 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.625 -8.646 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.209 -10.899 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.202 -10.223 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.012 -9.345 2.786 1.00 0.00 H new ATOM 1512 N ASP A 93 5.189 -5.393 0.597 1.00 0.00 N ATOM 1513 CA ASP A 93 5.010 -4.144 -0.133 1.00 0.00 C ATOM 1514 C ASP A 93 4.962 -4.401 -1.635 1.00 0.00 C ATOM 1515 O ASP A 93 4.931 -5.550 -2.076 1.00 0.00 O ATOM 1516 CB ASP A 93 6.145 -3.173 0.200 1.00 0.00 C ATOM 1517 CG ASP A 93 5.945 -2.485 1.536 1.00 0.00 C ATOM 1518 OD1 ASP A 93 4.827 -2.565 2.084 1.00 0.00 O ATOM 1519 OD2 ASP A 93 6.909 -1.865 2.034 1.00 0.00 O ATOM 0 H ASP A 93 5.812 -6.060 0.141 1.00 0.00 H new ATOM 0 HA ASP A 93 4.062 -3.699 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.091 -3.715 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.218 -2.421 -0.585 1.00 0.00 H new ATOM 1524 N LEU A 94 4.957 -3.328 -2.418 1.00 0.00 N ATOM 1525 CA LEU A 94 4.914 -3.442 -3.872 1.00 0.00 C ATOM 1526 C LEU A 94 6.119 -4.221 -4.392 1.00 0.00 C ATOM 1527 O LEU A 94 6.039 -4.894 -5.420 1.00 0.00 O ATOM 1528 CB LEU A 94 4.877 -2.055 -4.513 1.00 0.00 C ATOM 1529 CG LEU A 94 3.525 -1.344 -4.448 1.00 0.00 C ATOM 1530 CD1 LEU A 94 3.634 0.064 -5.013 1.00 0.00 C ATOM 1531 CD2 LEU A 94 2.468 -2.143 -5.198 1.00 0.00 C ATOM 0 H LEU A 94 4.982 -2.369 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 94 4.008 -3.984 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.623 -1.427 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.171 -2.147 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 94 3.223 -1.270 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.662 0.554 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.361 0.633 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.958 0.015 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.511 -1.623 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.764 -2.248 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.371 -3.131 -4.748 1.00 0.00 H new ATOM 1543 N GLY A 95 7.233 -4.126 -3.674 1.00 0.00 N ATOM 1544 CA GLY A 95 8.437 -4.827 -4.080 1.00 0.00 C ATOM 1545 C GLY A 95 8.650 -6.112 -3.302 1.00 0.00 C ATOM 1546 O GLY A 95 8.247 -6.217 -2.143 1.00 0.00 O ATOM 0 H GLY A 95 7.324 -3.577 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.379 -5.055 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.299 -4.174 -3.940 1.00 0.00 H new ATOM 1613 N LYS A 101 14.131 -2.462 2.279 1.00 0.00 N ATOM 1614 CA LYS A 101 13.493 -1.153 2.284 1.00 0.00 C ATOM 1615 C LYS A 101 12.794 -0.873 0.956 1.00 0.00 C ATOM 1616 O LYS A 101 13.432 -0.485 -0.023 1.00 0.00 O ATOM 1617 CB LYS A 101 14.526 -0.061 2.569 1.00 0.00 C ATOM 1618 CG LYS A 101 14.708 0.234 4.048 1.00 0.00 C ATOM 1619 CD LYS A 101 15.911 1.129 4.294 1.00 0.00 C ATOM 1620 CE LYS A 101 15.505 2.589 4.411 1.00 0.00 C ATOM 1621 NZ LYS A 101 14.626 2.829 5.589 1.00 0.00 N ATOM 0 HA LYS A 101 12.741 -1.151 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.485 -0.361 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.225 0.854 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.810 0.714 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.831 -0.701 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.417 0.817 5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.625 1.013 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.398 3.209 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.986 2.895 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.837 3.448 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.251 1.922 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.175 3.285 6.345 1.00 0.00 H new ATOM 1635 N ILE A 102 11.480 -1.071 0.930 1.00 0.00 N ATOM 1636 CA ILE A 102 10.697 -0.838 -0.277 1.00 0.00 C ATOM 1637 C ILE A 102 10.436 0.649 -0.485 1.00 0.00 C ATOM 1638 O ILE A 102 9.309 1.122 -0.340 1.00 0.00 O ATOM 1639 CB ILE A 102 9.352 -1.587 -0.229 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.574 -3.055 0.140 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.636 -1.470 -1.567 1.00 0.00 C ATOM 1642 CD1 ILE A 102 9.283 -3.362 1.594 1.00 0.00 C ATOM 0 H ILE A 102 10.936 -1.392 1.731 1.00 0.00 H new ATOM 0 HA ILE A 102 11.284 -1.219 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 102 8.724 -1.133 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.940 -3.680 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.607 -3.325 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.687 -2.004 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.451 -0.419 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.257 -1.903 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.461 -4.420 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.935 -2.763 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.243 -3.124 1.815 1.00 0.00 H new ATOM 1654 N ASN A 103 11.489 1.378 -0.833 1.00 0.00 N ATOM 1655 CA ASN A 103 11.383 2.812 -1.072 1.00 0.00 C ATOM 1656 C ASN A 103 11.557 3.116 -2.551 1.00 0.00 C ATOM 1657 O ASN A 103 10.775 3.860 -3.142 1.00 0.00 O ATOM 1658 CB ASN A 103 12.428 3.570 -0.252 1.00 0.00 C ATOM 1659 CG ASN A 103 12.262 3.354 1.239 1.00 0.00 C ATOM 1660 OD1 ASN A 103 11.259 2.801 1.690 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.247 3.791 2.015 1.00 0.00 N ATOM 0 H ASN A 103 12.428 0.999 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 103 10.391 3.140 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.425 3.249 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.356 4.635 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.190 3.674 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.061 4.244 1.599 1.00 0.00 H new ATOM 1668 N TRP A 104 12.583 2.522 -3.144 1.00 0.00 N ATOM 1669 CA TRP A 104 12.866 2.708 -4.561 1.00 0.00 C ATOM 1670 C TRP A 104 12.130 1.660 -5.386 1.00 0.00 C ATOM 1671 O TRP A 104 12.362 0.460 -5.232 1.00 0.00 O ATOM 1672 CB TRP A 104 14.371 2.618 -4.821 1.00 0.00 C ATOM 1673 CG TRP A 104 15.121 3.844 -4.399 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.099 5.068 -5.005 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.006 3.965 -3.281 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.916 5.943 -4.332 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.484 5.291 -3.268 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.440 3.084 -2.286 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.374 5.752 -2.301 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.323 3.544 -1.328 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.781 4.868 -1.341 1.00 0.00 C ATOM 0 H TRP A 104 13.237 1.904 -2.663 1.00 0.00 H new ATOM 0 HA TRP A 104 12.519 3.698 -4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.773 1.755 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.539 2.446 -5.884 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.523 5.312 -5.885 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.074 6.919 -4.583 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.091 2.062 -2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.730 6.772 -2.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.666 2.871 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.470 5.197 -0.577 1.00 0.00 H new ATOM 1692 N ALA A 105 11.233 2.114 -6.254 1.00 0.00 N ATOM 1693 CA ALA A 105 10.456 1.206 -7.088 1.00 0.00 C ATOM 1694 C ALA A 105 10.693 1.469 -8.572 1.00 0.00 C ATOM 1695 O ALA A 105 10.692 2.615 -9.020 1.00 0.00 O ATOM 1696 CB ALA A 105 8.978 1.323 -6.753 1.00 0.00 C ATOM 0 H ALA A 105 11.027 3.102 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 105 10.787 0.189 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.407 0.640 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.821 1.068 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.644 2.345 -6.931 1.00 0.00 H new ATOM 1702 N MET A 106 10.896 0.393 -9.329 1.00 0.00 N ATOM 1703 CA MET A 106 11.133 0.497 -10.765 1.00 0.00 C ATOM 1704 C MET A 106 10.993 -0.869 -11.434 1.00 0.00 C ATOM 1705 O MET A 106 11.842 -1.275 -12.228 1.00 0.00 O ATOM 1706 CB MET A 106 12.525 1.072 -11.033 1.00 0.00 C ATOM 1707 CG MET A 106 12.614 1.873 -12.322 1.00 0.00 C ATOM 1708 SD MET A 106 14.213 1.702 -13.137 1.00 0.00 S ATOM 1709 CE MET A 106 13.895 0.310 -14.218 1.00 0.00 C ATOM 0 H MET A 106 10.901 -0.562 -8.970 1.00 0.00 H new ATOM 0 HA MET A 106 10.386 1.169 -11.188 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.812 1.710 -10.198 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.245 0.255 -11.072 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.827 1.548 -13.002 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.432 2.925 -12.104 1.00 0.00 H new ATOM 0 HE1 MET A 106 14.681 0.247 -14.970 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.878 -0.609 -13.632 1.00 0.00 H new ATOM 0 HE3 MET A 106 12.932 0.444 -14.710 1.00 0.00 H new ATOM 1719 N GLU A 107 9.916 -1.572 -11.102 1.00 0.00 N ATOM 1720 CA GLU A 107 9.656 -2.895 -11.663 1.00 0.00 C ATOM 1721 C GLU A 107 8.203 -3.031 -12.112 1.00 0.00 C ATOM 1722 O GLU A 107 7.726 -4.134 -12.375 1.00 0.00 O ATOM 1723 CB GLU A 107 9.966 -3.966 -10.624 1.00 0.00 C ATOM 1724 CG GLU A 107 11.447 -4.102 -10.309 1.00 0.00 C ATOM 1725 CD GLU A 107 11.901 -3.149 -9.221 1.00 0.00 C ATOM 1726 OE1 GLU A 107 11.044 -2.694 -8.435 1.00 0.00 O ATOM 1727 OE2 GLU A 107 13.113 -2.857 -9.156 1.00 0.00 O ATOM 0 H GLU A 107 9.206 -1.248 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 107 10.299 -3.024 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.428 -3.734 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.590 -4.925 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.657 -5.126 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.026 -3.917 -11.214 1.00 0.00 H new ATOM 1734 N ASP A 108 7.508 -1.897 -12.182 1.00 0.00 N ATOM 1735 CA ASP A 108 6.098 -1.848 -12.585 1.00 0.00 C ATOM 1736 C ASP A 108 5.732 -2.963 -13.566 1.00 0.00 C ATOM 1737 O ASP A 108 6.424 -3.183 -14.560 1.00 0.00 O ATOM 1738 CB ASP A 108 5.785 -0.486 -13.212 1.00 0.00 C ATOM 1739 CG ASP A 108 4.327 -0.343 -13.608 1.00 0.00 C ATOM 1740 OD1 ASP A 108 3.561 -1.313 -13.425 1.00 0.00 O ATOM 1741 OD2 ASP A 108 3.951 0.741 -14.104 1.00 0.00 O ATOM 0 H ASP A 108 7.904 -0.983 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 108 5.499 -1.995 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.044 0.302 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.412 -0.344 -14.092 1.00 0.00 H new ATOM 1746 N LYS A 109 4.628 -3.656 -13.271 1.00 0.00 N ATOM 1747 CA LYS A 109 4.133 -4.751 -14.111 1.00 0.00 C ATOM 1748 C LYS A 109 4.820 -6.077 -13.781 1.00 0.00 C ATOM 1749 O LYS A 109 4.214 -7.141 -13.894 1.00 0.00 O ATOM 1750 CB LYS A 109 4.315 -4.427 -15.597 1.00 0.00 C ATOM 1751 CG LYS A 109 3.223 -5.004 -16.484 1.00 0.00 C ATOM 1752 CD LYS A 109 2.974 -4.128 -17.701 1.00 0.00 C ATOM 1753 CE LYS A 109 2.262 -4.895 -18.804 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.200 -5.755 -19.579 1.00 0.00 N ATOM 0 H LYS A 109 4.055 -3.475 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 109 3.069 -4.858 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.340 -3.345 -15.724 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.280 -4.810 -15.928 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.506 -6.006 -16.807 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.301 -5.103 -15.911 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.375 -3.264 -17.412 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.924 -3.747 -18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.478 -5.514 -18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.774 -4.191 -19.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.675 -6.261 -20.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.933 -5.162 -20.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.647 -6.444 -18.941 1.00 0.00 H new ATOM 1768 N GLN A 110 6.084 -6.012 -13.385 1.00 0.00 N ATOM 1769 CA GLN A 110 6.839 -7.216 -13.052 1.00 0.00 C ATOM 1770 C GLN A 110 6.714 -7.564 -11.570 1.00 0.00 C ATOM 1771 O GLN A 110 5.911 -8.415 -11.187 1.00 0.00 O ATOM 1772 CB GLN A 110 8.311 -7.043 -13.432 1.00 0.00 C ATOM 1773 CG GLN A 110 8.622 -7.453 -14.862 1.00 0.00 C ATOM 1774 CD GLN A 110 9.100 -8.888 -14.966 1.00 0.00 C ATOM 1775 OE1 GLN A 110 10.158 -9.242 -14.447 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.319 -9.724 -15.642 1.00 0.00 N ATOM 0 H GLN A 110 6.608 -5.143 -13.286 1.00 0.00 H new ATOM 0 HA GLN A 110 6.417 -8.041 -13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.593 -6.000 -13.292 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.925 -7.633 -12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.730 -7.326 -15.475 1.00 0.00 H new ATOM 0 HG3 GLN A 110 9.385 -6.789 -15.269 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.450 -9.388 -16.056 1.00 0.00 H new ATOM 0 HE22 GLN A 110 8.589 -10.702 -15.747 1.00 0.00 H new ATOM 1785 N GLU A 111 7.524 -6.909 -10.741 1.00 0.00 N ATOM 1786 CA GLU A 111 7.517 -7.155 -9.303 1.00 0.00 C ATOM 1787 C GLU A 111 6.123 -6.968 -8.712 1.00 0.00 C ATOM 1788 O GLU A 111 5.569 -7.885 -8.105 1.00 0.00 O ATOM 1789 CB GLU A 111 8.506 -6.223 -8.602 1.00 0.00 C ATOM 1790 CG GLU A 111 9.140 -6.830 -7.360 1.00 0.00 C ATOM 1791 CD GLU A 111 10.519 -6.269 -7.076 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.695 -5.038 -7.189 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.424 -7.061 -6.740 1.00 0.00 O ATOM 0 H GLU A 111 8.195 -6.202 -11.043 1.00 0.00 H new ATOM 0 HA GLU A 111 7.818 -8.190 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.293 -5.948 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.991 -5.303 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.494 -6.648 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.210 -7.911 -7.483 1.00 0.00 H new ATOM 1800 N MET A 112 5.563 -5.776 -8.889 1.00 0.00 N ATOM 1801 CA MET A 112 4.234 -5.467 -8.369 1.00 0.00 C ATOM 1802 C MET A 112 3.237 -6.571 -8.715 1.00 0.00 C ATOM 1803 O MET A 112 2.690 -7.228 -7.830 1.00 0.00 O ATOM 1804 CB MET A 112 3.747 -4.128 -8.923 1.00 0.00 C ATOM 1805 CG MET A 112 4.785 -3.019 -8.828 1.00 0.00 C ATOM 1806 SD MET A 112 4.172 -1.558 -7.967 1.00 0.00 S ATOM 1807 CE MET A 112 5.654 -0.554 -7.907 1.00 0.00 C ATOM 0 H MET A 112 6.009 -5.007 -9.389 1.00 0.00 H new ATOM 0 HA MET A 112 4.304 -5.400 -7.283 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.460 -4.258 -9.966 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.851 -3.824 -8.382 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.667 -3.397 -8.310 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.101 -2.737 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 112 5.384 0.499 -7.990 1.00 0.00 H new ATOM 0 HE2 MET A 112 6.170 -0.723 -6.962 1.00 0.00 H new ATOM 0 HE3 MET A 112 6.311 -0.826 -8.733 1.00 0.00 H new ATOM 1817 N VAL A 113 3.009 -6.774 -10.009 1.00 0.00 N ATOM 1818 CA VAL A 113 2.080 -7.801 -10.471 1.00 0.00 C ATOM 1819 C VAL A 113 2.344 -9.137 -9.781 1.00 0.00 C ATOM 1820 O VAL A 113 1.414 -9.881 -9.467 1.00 0.00 O ATOM 1821 CB VAL A 113 2.180 -7.991 -11.999 1.00 0.00 C ATOM 1822 CG1 VAL A 113 1.285 -9.130 -12.467 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.821 -6.699 -12.717 1.00 0.00 C ATOM 0 H VAL A 113 3.454 -6.241 -10.756 1.00 0.00 H new ATOM 0 HA VAL A 113 1.076 -7.462 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 113 3.210 -8.251 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.374 -9.243 -13.547 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.590 -10.056 -11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.249 -8.908 -12.210 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.896 -6.848 -13.794 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.801 -6.412 -12.461 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.508 -5.910 -12.411 1.00 0.00 H new ATOM 1833 N ASP A 114 3.618 -9.435 -9.556 1.00 0.00 N ATOM 1834 CA ASP A 114 4.009 -10.683 -8.911 1.00 0.00 C ATOM 1835 C ASP A 114 3.664 -10.679 -7.423 1.00 0.00 C ATOM 1836 O ASP A 114 3.143 -11.663 -6.897 1.00 0.00 O ATOM 1837 CB ASP A 114 5.509 -10.924 -9.094 1.00 0.00 C ATOM 1838 CG ASP A 114 5.842 -12.392 -9.273 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.994 -13.130 -9.818 1.00 0.00 O ATOM 1840 OD2 ASP A 114 6.950 -12.803 -8.870 1.00 0.00 O ATOM 0 H ASP A 114 4.398 -8.829 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 114 3.450 -11.489 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.860 -10.366 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.045 -10.536 -8.228 1.00 0.00 H new ATOM 1845 N ILE A 115 3.965 -9.575 -6.744 1.00 0.00 N ATOM 1846 CA ILE A 115 3.692 -9.468 -5.315 1.00 0.00 C ATOM 1847 C ILE A 115 2.194 -9.427 -5.028 1.00 0.00 C ATOM 1848 O ILE A 115 1.707 -10.125 -4.138 1.00 0.00 O ATOM 1849 CB ILE A 115 4.381 -8.227 -4.689 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.723 -8.501 -3.224 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.512 -6.978 -4.809 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.661 -9.671 -3.029 1.00 0.00 C ATOM 0 H ILE A 115 4.395 -8.748 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 115 4.109 -10.364 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 115 5.301 -8.040 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.175 -7.608 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.801 -8.690 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.029 -6.130 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.319 -6.769 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.566 -7.142 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.859 -9.806 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.203 -10.575 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.598 -9.477 -3.550 1.00 0.00 H new ATOM 1864 N ILE A 116 1.466 -8.602 -5.775 1.00 0.00 N ATOM 1865 CA ILE A 116 0.029 -8.476 -5.578 1.00 0.00 C ATOM 1866 C ILE A 116 -0.663 -9.828 -5.714 1.00 0.00 C ATOM 1867 O ILE A 116 -1.568 -10.155 -4.946 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.598 -7.485 -6.578 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.157 -6.156 -6.554 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.071 -7.271 -6.261 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.489 -5.632 -7.933 1.00 0.00 C ATOM 0 H ILE A 116 1.846 -8.015 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.117 -8.094 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.521 -7.906 -7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.443 -5.415 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.080 -6.281 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.499 -6.569 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.599 -8.222 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.172 -6.869 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.024 -4.687 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.115 -6.355 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.432 -5.476 -8.494 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.228 -10.612 -6.697 1.00 0.00 N ATOM 1884 CA GLU A 117 -0.803 -11.930 -6.934 1.00 0.00 C ATOM 1885 C GLU A 117 -0.610 -12.830 -5.718 1.00 0.00 C ATOM 1886 O GLU A 117 -1.522 -13.555 -5.320 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.166 -12.574 -8.167 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.104 -13.502 -8.922 1.00 0.00 C ATOM 1889 CD GLU A 117 -0.419 -14.209 -10.075 1.00 0.00 C ATOM 1890 OE1 GLU A 117 0.392 -15.123 -9.814 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -0.695 -13.851 -11.239 1.00 0.00 O ATOM 0 H GLU A 117 0.520 -10.356 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.872 -11.808 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.175 -11.789 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.716 -13.135 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.507 -14.244 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.949 -12.928 -9.303 1.00 0.00 H new ATOM 1898 N THR A 118 0.581 -12.777 -5.133 1.00 0.00 N ATOM 1899 CA THR A 118 0.892 -13.586 -3.959 1.00 0.00 C ATOM 1900 C THR A 118 0.043 -13.160 -2.767 1.00 0.00 C ATOM 1901 O THR A 118 -0.525 -13.997 -2.064 1.00 0.00 O ATOM 1902 CB THR A 118 2.377 -13.469 -3.612 1.00 0.00 C ATOM 1903 OG1 THR A 118 3.175 -13.586 -4.775 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.845 -14.517 -2.626 1.00 0.00 C ATOM 0 H THR A 118 1.347 -12.183 -5.451 1.00 0.00 H new ATOM 0 HA THR A 118 0.663 -14.626 -4.192 1.00 0.00 H new ATOM 0 HB THR A 118 2.490 -12.486 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.128 -12.753 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.907 -14.377 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.282 -14.420 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.683 -15.510 -3.046 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.042 -11.851 -2.545 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.823 -11.312 -1.439 1.00 0.00 C ATOM 1914 C VAL A 119 -2.312 -11.575 -1.644 1.00 0.00 C ATOM 1915 O VAL A 119 -3.035 -11.880 -0.695 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.597 -9.796 -1.279 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.370 -9.260 -0.082 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.887 -9.490 -1.145 1.00 0.00 C ATOM 0 H VAL A 119 0.421 -11.145 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.487 -11.818 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.970 -9.296 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.196 -8.188 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.435 -9.444 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.033 -9.764 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.028 -8.415 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.286 -10.002 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.411 -9.834 -2.037 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.763 -11.452 -2.886 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.165 -11.674 -3.215 1.00 0.00 C ATOM 1930 C TYR A 120 -4.575 -13.109 -2.911 1.00 0.00 C ATOM 1931 O TYR A 120 -5.339 -13.367 -1.981 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.420 -11.359 -4.691 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.856 -11.566 -5.118 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.905 -11.057 -4.364 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.161 -12.273 -6.274 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -8.218 -11.245 -4.750 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.473 -12.464 -6.668 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.496 -11.949 -5.902 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.803 -12.138 -6.290 1.00 0.00 O ATOM 0 H TYR A 120 -2.178 -11.200 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.767 -11.006 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.138 -10.325 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.774 -11.987 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.691 -10.505 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.361 -12.680 -6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.022 -10.843 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.694 -13.014 -7.571 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.307 -11.309 -6.156 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.059 -14.034 -3.703 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.362 -15.452 -3.533 1.00 0.00 C ATOM 1951 C ARG A 121 -4.002 -15.923 -2.127 1.00 0.00 C ATOM 1952 O ARG A 121 -4.657 -16.804 -1.571 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.606 -16.284 -4.570 1.00 0.00 C ATOM 1954 CG ARG A 121 -3.977 -15.949 -6.006 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.023 -16.909 -6.550 1.00 0.00 C ATOM 1956 NE ARG A 121 -5.269 -16.701 -7.974 1.00 0.00 N ATOM 1957 CZ ARG A 121 -6.003 -17.516 -8.727 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -6.565 -18.596 -8.195 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -6.177 -17.253 -10.015 1.00 0.00 N ATOM 0 H ARG A 121 -3.424 -13.830 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.434 -15.588 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.535 -16.132 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.803 -17.341 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.357 -14.929 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.085 -15.988 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.694 -17.935 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.954 -16.781 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.853 -15.882 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.435 -18.803 -7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.127 -19.218 -8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.748 -16.425 -10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.740 -17.878 -10.592 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.958 -15.330 -1.559 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.530 -15.703 -0.223 1.00 0.00 C ATOM 1975 C GLY A 122 -3.453 -15.166 0.853 1.00 0.00 C ATOM 1976 O GLY A 122 -3.846 -15.894 1.764 1.00 0.00 O ATOM 0 H GLY A 122 -2.400 -14.598 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.485 -16.790 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.520 -15.330 -0.051 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.798 -13.886 0.747 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.680 -13.249 1.718 1.00 0.00 C ATOM 1982 C ALA A 123 -6.141 -13.379 1.301 1.00 0.00 C ATOM 1983 O ALA A 123 -6.862 -12.386 1.209 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.302 -11.786 1.890 1.00 0.00 C ATOM 0 H ALA A 123 -3.480 -13.270 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.559 -13.758 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.968 -11.321 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.273 -11.715 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.394 -11.272 0.933 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.572 -14.610 1.047 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.948 -14.870 0.640 1.00 0.00 C ATOM 1992 C ARG A 124 -8.914 -14.611 1.791 1.00 0.00 C ATOM 1993 O ARG A 124 -9.763 -13.721 1.714 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.093 -16.312 0.152 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.682 -16.508 -1.299 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.882 -16.470 -2.229 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.510 -16.734 -3.617 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.276 -17.951 -4.102 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -8.375 -19.016 -3.318 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -7.943 -18.102 -5.377 1.00 0.00 N ATOM 0 H ARG A 124 -5.988 -15.444 1.116 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.194 -14.191 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.488 -16.963 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.130 -16.625 0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.974 -15.730 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.168 -17.463 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.615 -17.208 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.361 -15.493 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.425 -15.940 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.632 -18.905 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -8.194 -19.946 -3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.867 -17.286 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -7.763 -19.034 -5.750 1.00 0.00 H new