USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=19 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 20 SER OG : rot -124:sc= 0.103 USER MOD Set 1.2: A 59 TYR OH : rot -130:sc= -0.525 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -2.96 K(o=-3,f=-4.8!) USER MOD Single : A 9 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.042) USER MOD Single : A 10 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.8!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 32 HIS : no HE2:sc= -0.446 K(o=-0.45,f=-1) USER MOD Single : A 37 THR OG1 : rot -119:sc= 1.16 USER MOD Single : A 38 CYS SG : rot 170:sc= -0.466 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 41 MET CE :methyl 146:sc= -2.86 (180deg=-6.74!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -48:sc= 0.451 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.414 (180deg=-0.642) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.0755 X(o=0.076,f=-0.049) USER MOD Single : A 64 THR OG1 : rot -21:sc= 0.67 USER MOD Single : A 79 CYS SG : rot 54:sc= -1.29 USER MOD Single : A 80 THR OG1 : rot -120:sc= -2.78 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.531 F(o=-0.95,f=0.53) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.666 (180deg=-2.2!) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -1.54 F(o=-4.5!,f=-1.5) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.122 K(o=-0.12,f=-9.5!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 112 MET CE :methyl -149:sc= -1.13 (180deg=-4.86!) USER MOD Single : A 118 THR OG1 : rot 79:sc= 0.404 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.646 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -7.970 7.811 -10.581 1.00 0.00 N ATOM 36 CA MET A 4 -8.134 6.422 -10.168 1.00 0.00 C ATOM 37 C MET A 4 -7.521 6.186 -8.791 1.00 0.00 C ATOM 38 O MET A 4 -8.233 6.100 -7.791 1.00 0.00 O ATOM 39 CB MET A 4 -7.494 5.484 -11.194 1.00 0.00 C ATOM 40 CG MET A 4 -8.448 5.040 -12.291 1.00 0.00 C ATOM 41 SD MET A 4 -7.819 3.636 -13.230 1.00 0.00 S ATOM 42 CE MET A 4 -9.011 3.561 -14.565 1.00 0.00 C ATOM 0 HA MET A 4 -9.202 6.210 -10.110 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.639 5.985 -11.648 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.111 4.603 -10.679 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.408 4.775 -11.847 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.630 5.874 -12.969 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.757 2.739 -15.234 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.008 3.399 -14.154 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.995 4.499 -15.120 1.00 0.00 H new ATOM 52 N LEU A 5 -6.195 6.081 -8.748 1.00 0.00 N ATOM 53 CA LEU A 5 -5.482 5.851 -7.498 1.00 0.00 C ATOM 54 C LEU A 5 -5.926 6.838 -6.416 1.00 0.00 C ATOM 55 O LEU A 5 -5.573 8.016 -6.459 1.00 0.00 O ATOM 56 CB LEU A 5 -3.972 5.974 -7.723 1.00 0.00 C ATOM 57 CG LEU A 5 -3.533 7.199 -8.528 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.069 8.311 -7.600 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.430 6.826 -9.508 1.00 0.00 C ATOM 0 H LEU A 5 -5.593 6.152 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.718 4.843 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.477 6.000 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.623 5.078 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.390 7.562 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.761 9.173 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.887 8.598 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.226 7.960 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.130 7.709 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.572 6.437 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.797 6.064 -10.196 1.00 0.00 H new ATOM 71 N PRO A 6 -6.711 6.369 -5.427 1.00 0.00 N ATOM 72 CA PRO A 6 -7.198 7.221 -4.338 1.00 0.00 C ATOM 73 C PRO A 6 -6.094 7.592 -3.354 1.00 0.00 C ATOM 74 O PRO A 6 -5.213 6.783 -3.061 1.00 0.00 O ATOM 75 CB PRO A 6 -8.253 6.351 -3.654 1.00 0.00 C ATOM 76 CG PRO A 6 -7.824 4.953 -3.931 1.00 0.00 C ATOM 77 CD PRO A 6 -7.185 4.977 -5.293 1.00 0.00 C ATOM 0 HA PRO A 6 -7.582 8.173 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.295 6.548 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.248 6.547 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.120 4.604 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.675 4.273 -3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.363 4.265 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.898 4.719 -6.076 1.00 0.00 H new ATOM 85 N HIS A 7 -6.146 8.819 -2.847 1.00 0.00 N ATOM 86 CA HIS A 7 -5.149 9.296 -1.894 1.00 0.00 C ATOM 87 C HIS A 7 -5.756 9.456 -0.504 1.00 0.00 C ATOM 88 O HIS A 7 -6.880 9.022 -0.253 1.00 0.00 O ATOM 89 CB HIS A 7 -4.562 10.629 -2.361 1.00 0.00 C ATOM 90 CG HIS A 7 -4.196 10.647 -3.813 1.00 0.00 C ATOM 91 ND1 HIS A 7 -5.077 11.015 -4.808 1.00 0.00 N ATOM 92 CD2 HIS A 7 -3.033 10.341 -4.438 1.00 0.00 C ATOM 93 CE1 HIS A 7 -4.474 10.934 -5.981 1.00 0.00 C ATOM 94 NE2 HIS A 7 -3.233 10.528 -5.783 1.00 0.00 N ATOM 0 H HIS A 7 -6.867 9.502 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.352 8.554 -1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.284 11.422 -2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.675 10.853 -1.768 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -6.044 11.305 -4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.119 10.011 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.920 11.161 -6.938 1.00 0.00 H new ATOM 103 N LEU A 8 -5.004 10.083 0.396 1.00 0.00 N ATOM 104 CA LEU A 8 -5.466 10.302 1.762 1.00 0.00 C ATOM 105 C LEU A 8 -5.533 11.794 2.077 1.00 0.00 C ATOM 106 O LEU A 8 -5.340 12.633 1.198 1.00 0.00 O ATOM 107 CB LEU A 8 -4.540 9.596 2.755 1.00 0.00 C ATOM 108 CG LEU A 8 -5.061 8.261 3.289 1.00 0.00 C ATOM 109 CD1 LEU A 8 -6.450 8.429 3.885 1.00 0.00 C ATOM 110 CD2 LEU A 8 -5.075 7.216 2.184 1.00 0.00 C ATOM 0 H LEU A 8 -4.071 10.448 0.203 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.468 9.884 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.577 9.426 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.361 10.263 3.599 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.390 7.919 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.804 7.468 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.410 9.146 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.133 8.793 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.448 6.272 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.723 7.551 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.063 7.075 1.804 1.00 0.00 H new ATOM 122 N HIS A 9 -5.808 12.116 3.337 1.00 0.00 N ATOM 123 CA HIS A 9 -5.899 13.507 3.766 1.00 0.00 C ATOM 124 C HIS A 9 -5.596 13.641 5.255 1.00 0.00 C ATOM 125 O HIS A 9 -4.747 14.436 5.657 1.00 0.00 O ATOM 126 CB HIS A 9 -7.292 14.065 3.467 1.00 0.00 C ATOM 127 CG HIS A 9 -7.413 14.670 2.102 1.00 0.00 C ATOM 128 ND1 HIS A 9 -8.491 14.448 1.272 1.00 0.00 N ATOM 129 CD2 HIS A 9 -6.583 15.497 1.423 1.00 0.00 C ATOM 130 CE1 HIS A 9 -8.320 15.110 0.142 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.169 15.754 0.208 1.00 0.00 N ATOM 0 H HIS A 9 -5.971 11.434 4.078 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.157 14.080 3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.025 13.264 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.540 14.819 4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.636 15.883 1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.005 15.123 -0.693 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.779 16.346 -0.525 1.00 0.00 H new ATOM 140 N ASN A 10 -6.296 12.858 6.070 1.00 0.00 N ATOM 141 CA ASN A 10 -6.101 12.890 7.515 1.00 0.00 C ATOM 142 C ASN A 10 -6.515 11.567 8.150 1.00 0.00 C ATOM 143 O ASN A 10 -6.859 10.613 7.452 1.00 0.00 O ATOM 144 CB ASN A 10 -6.902 14.039 8.132 1.00 0.00 C ATOM 145 CG ASN A 10 -6.071 15.297 8.299 1.00 0.00 C ATOM 146 OD1 ASN A 10 -4.856 15.283 8.107 1.00 0.00 O ATOM 147 ND2 ASN A 10 -6.726 16.394 8.661 1.00 0.00 N ATOM 0 H ASN A 10 -7.003 12.194 5.754 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.040 13.049 7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.764 14.257 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.287 13.729 9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.221 17.270 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.735 16.360 8.810 1.00 0.00 H new ATOM 154 N GLY A 11 -6.479 11.516 9.478 1.00 0.00 N ATOM 155 CA GLY A 11 -6.852 10.305 10.186 1.00 0.00 C ATOM 156 C GLY A 11 -8.245 9.825 9.825 1.00 0.00 C ATOM 157 O GLY A 11 -8.523 8.627 9.859 1.00 0.00 O ATOM 0 H GLY A 11 -6.198 12.292 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.131 9.519 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.801 10.486 11.260 1.00 0.00 H new ATOM 161 N TRP A 12 -9.121 10.763 9.479 1.00 0.00 N ATOM 162 CA TRP A 12 -10.491 10.428 9.109 1.00 0.00 C ATOM 163 C TRP A 12 -10.516 9.508 7.894 1.00 0.00 C ATOM 164 O TRP A 12 -11.170 8.465 7.904 1.00 0.00 O ATOM 165 CB TRP A 12 -11.287 11.700 8.816 1.00 0.00 C ATOM 166 CG TRP A 12 -11.876 12.329 10.042 1.00 0.00 C ATOM 167 CD1 TRP A 12 -11.773 13.636 10.423 1.00 0.00 C ATOM 168 CD2 TRP A 12 -12.657 11.677 11.050 1.00 0.00 C ATOM 169 NE1 TRP A 12 -12.444 13.837 11.605 1.00 0.00 N ATOM 170 CE2 TRP A 12 -12.995 12.650 12.010 1.00 0.00 C ATOM 171 CE3 TRP A 12 -13.105 10.366 11.232 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -13.758 12.351 13.136 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -13.863 10.071 12.350 1.00 0.00 C ATOM 174 CH2 TRP A 12 -14.184 11.059 13.289 1.00 0.00 C ATOM 0 H TRP A 12 -8.907 11.760 9.447 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.950 9.905 9.948 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.636 12.422 8.323 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.089 11.465 8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.242 14.400 9.875 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.520 14.725 12.100 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.864 9.597 10.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.005 13.111 13.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -14.214 9.061 12.502 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.779 10.797 14.151 1.00 0.00 H new ATOM 185 N GLN A 13 -9.797 9.899 6.847 1.00 0.00 N ATOM 186 CA GLN A 13 -9.734 9.108 5.624 1.00 0.00 C ATOM 187 C GLN A 13 -8.950 7.820 5.851 1.00 0.00 C ATOM 188 O GLN A 13 -9.248 6.785 5.254 1.00 0.00 O ATOM 189 CB GLN A 13 -9.090 9.920 4.498 1.00 0.00 C ATOM 190 CG GLN A 13 -10.006 10.983 3.915 1.00 0.00 C ATOM 191 CD GLN A 13 -10.797 10.481 2.723 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.229 10.149 1.683 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.116 10.423 2.870 1.00 0.00 N ATOM 0 H GLN A 13 -9.250 10.759 6.821 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.752 8.847 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.187 10.398 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.782 9.242 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.696 11.325 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.411 11.845 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.544 10.709 3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.701 10.093 2.102 1.00 0.00 H new ATOM 202 N VAL A 14 -7.945 7.890 6.719 1.00 0.00 N ATOM 203 CA VAL A 14 -7.119 6.730 7.028 1.00 0.00 C ATOM 204 C VAL A 14 -7.939 5.641 7.713 1.00 0.00 C ATOM 205 O VAL A 14 -7.896 4.476 7.319 1.00 0.00 O ATOM 206 CB VAL A 14 -5.931 7.109 7.931 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.995 5.923 8.112 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.183 8.305 7.360 1.00 0.00 C ATOM 0 H VAL A 14 -7.684 8.739 7.221 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.736 6.352 6.080 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.320 7.388 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.162 6.211 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.538 5.098 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.613 5.609 7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.347 8.557 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.807 8.059 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.859 9.157 7.290 1.00 0.00 H new ATOM 218 N ASP A 15 -8.688 6.031 8.738 1.00 0.00 N ATOM 219 CA ASP A 15 -9.521 5.090 9.478 1.00 0.00 C ATOM 220 C ASP A 15 -10.559 4.448 8.562 1.00 0.00 C ATOM 221 O ASP A 15 -10.970 3.308 8.776 1.00 0.00 O ATOM 222 CB ASP A 15 -10.217 5.797 10.642 1.00 0.00 C ATOM 223 CG ASP A 15 -10.506 4.859 11.798 1.00 0.00 C ATOM 224 OD1 ASP A 15 -11.496 4.101 11.715 1.00 0.00 O ATOM 225 OD2 ASP A 15 -9.743 4.883 12.787 1.00 0.00 O ATOM 0 H ASP A 15 -8.736 6.992 9.076 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.876 4.305 9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.591 6.618 10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.151 6.235 10.291 1.00 0.00 H new ATOM 230 N GLN A 16 -10.978 5.190 7.541 1.00 0.00 N ATOM 231 CA GLN A 16 -11.966 4.694 6.592 1.00 0.00 C ATOM 232 C GLN A 16 -11.300 3.881 5.485 1.00 0.00 C ATOM 233 O GLN A 16 -11.914 2.984 4.906 1.00 0.00 O ATOM 234 CB GLN A 16 -12.750 5.859 5.984 1.00 0.00 C ATOM 235 CG GLN A 16 -14.213 5.540 5.725 1.00 0.00 C ATOM 236 CD GLN A 16 -14.817 6.411 4.641 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.413 6.349 3.481 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.792 7.231 5.016 1.00 0.00 N ATOM 0 H GLN A 16 -10.648 6.136 7.351 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.655 4.043 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.687 6.717 6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.279 6.152 5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.307 4.492 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.778 5.671 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.096 7.250 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.237 7.842 4.331 1.00 0.00 H new ATOM 247 N ALA A 17 -10.043 4.201 5.196 1.00 0.00 N ATOM 248 CA ALA A 17 -9.295 3.500 4.159 1.00 0.00 C ATOM 249 C ALA A 17 -9.096 2.033 4.524 1.00 0.00 C ATOM 250 O ALA A 17 -9.305 1.144 3.698 1.00 0.00 O ATOM 251 CB ALA A 17 -7.951 4.175 3.930 1.00 0.00 C ATOM 0 H ALA A 17 -9.521 4.941 5.665 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.873 3.543 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.403 3.641 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.111 5.207 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.375 4.161 4.855 1.00 0.00 H new ATOM 257 N ILE A 18 -8.692 1.787 5.766 1.00 0.00 N ATOM 258 CA ILE A 18 -8.466 0.427 6.240 1.00 0.00 C ATOM 259 C ILE A 18 -9.742 -0.404 6.144 1.00 0.00 C ATOM 260 O ILE A 18 -9.691 -1.614 5.924 1.00 0.00 O ATOM 261 CB ILE A 18 -7.958 0.418 7.697 1.00 0.00 C ATOM 262 CG1 ILE A 18 -7.612 -1.008 8.135 1.00 0.00 C ATOM 263 CG2 ILE A 18 -8.996 1.026 8.628 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.828 -1.066 9.427 1.00 0.00 C ATOM 0 H ILE A 18 -8.515 2.511 6.462 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.703 -0.014 5.599 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.053 1.023 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.534 -1.578 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.036 -1.492 7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.620 1.011 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.194 2.055 8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.918 0.448 8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.617 -2.105 9.678 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.890 -0.524 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.411 -0.611 10.227 1.00 0.00 H new ATOM 276 N LEU A 19 -10.883 0.255 6.309 1.00 0.00 N ATOM 277 CA LEU A 19 -12.175 -0.421 6.239 1.00 0.00 C ATOM 278 C LEU A 19 -12.717 -0.419 4.812 1.00 0.00 C ATOM 279 O LEU A 19 -13.506 -1.286 4.437 1.00 0.00 O ATOM 280 CB LEU A 19 -13.177 0.251 7.180 1.00 0.00 C ATOM 281 CG LEU A 19 -13.289 -0.384 8.568 1.00 0.00 C ATOM 282 CD1 LEU A 19 -13.911 -1.768 8.472 1.00 0.00 C ATOM 283 CD2 LEU A 19 -11.922 -0.457 9.231 1.00 0.00 C ATOM 0 H LEU A 19 -10.941 1.257 6.492 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.032 -1.456 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.896 1.298 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.160 0.236 6.710 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.937 0.241 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.983 -2.204 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.908 -1.690 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.289 -2.403 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.020 -0.911 10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.252 -1.060 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.513 0.548 9.333 1.00 0.00 H new ATOM 295 N SER A 20 -12.290 0.563 4.020 1.00 0.00 N ATOM 296 CA SER A 20 -12.735 0.680 2.635 1.00 0.00 C ATOM 297 C SER A 20 -12.486 -0.613 1.863 1.00 0.00 C ATOM 298 O SER A 20 -13.207 -0.930 0.917 1.00 0.00 O ATOM 299 CB SER A 20 -12.019 1.844 1.946 1.00 0.00 C ATOM 300 OG SER A 20 -12.659 2.188 0.730 1.00 0.00 O ATOM 0 H SER A 20 -11.636 1.288 4.315 1.00 0.00 H new ATOM 0 HA SER A 20 -13.808 0.871 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.003 2.709 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.982 1.572 1.751 1.00 0.00 H new ATOM 0 HG SER A 20 -12.013 2.139 -0.005 1.00 0.00 H new ATOM 306 N GLU A 21 -11.462 -1.356 2.271 1.00 0.00 N ATOM 307 CA GLU A 21 -11.120 -2.614 1.616 1.00 0.00 C ATOM 308 C GLU A 21 -12.308 -3.569 1.613 1.00 0.00 C ATOM 309 O GLU A 21 -13.295 -3.351 2.314 1.00 0.00 O ATOM 310 CB GLU A 21 -9.925 -3.269 2.312 1.00 0.00 C ATOM 311 CG GLU A 21 -10.163 -3.558 3.785 1.00 0.00 C ATOM 312 CD GLU A 21 -8.877 -3.830 4.540 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.013 -2.929 4.587 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.732 -4.946 5.084 1.00 0.00 O ATOM 0 H GLU A 21 -10.854 -1.109 3.052 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.853 -2.394 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.684 -4.201 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.056 -2.618 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.675 -2.710 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.825 -4.419 3.880 1.00 0.00 H new ATOM 321 N GLU A 22 -12.204 -4.630 0.819 1.00 0.00 N ATOM 322 CA GLU A 22 -13.270 -5.620 0.725 1.00 0.00 C ATOM 323 C GLU A 22 -13.005 -6.793 1.663 1.00 0.00 C ATOM 324 O GLU A 22 -13.346 -7.936 1.358 1.00 0.00 O ATOM 325 CB GLU A 22 -13.402 -6.123 -0.714 1.00 0.00 C ATOM 326 CG GLU A 22 -13.954 -5.083 -1.674 1.00 0.00 C ATOM 327 CD GLU A 22 -13.027 -3.894 -1.843 1.00 0.00 C ATOM 328 OE1 GLU A 22 -12.136 -3.956 -2.716 1.00 0.00 O ATOM 329 OE2 GLU A 22 -13.192 -2.903 -1.102 1.00 0.00 O ATOM 0 H GLU A 22 -11.393 -4.826 0.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.204 -5.142 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.424 -6.448 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.052 -6.998 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.126 -5.546 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.921 -4.736 -1.311 1.00 0.00 H new ATOM 336 N ASP A 23 -12.393 -6.502 2.809 1.00 0.00 N ATOM 337 CA ASP A 23 -12.080 -7.529 3.798 1.00 0.00 C ATOM 338 C ASP A 23 -10.945 -8.436 3.324 1.00 0.00 C ATOM 339 O ASP A 23 -10.645 -9.447 3.959 1.00 0.00 O ATOM 340 CB ASP A 23 -13.318 -8.374 4.096 1.00 0.00 C ATOM 341 CG ASP A 23 -13.282 -8.991 5.479 1.00 0.00 C ATOM 342 OD1 ASP A 23 -12.173 -9.316 5.955 1.00 0.00 O ATOM 343 OD2 ASP A 23 -14.361 -9.149 6.088 1.00 0.00 O ATOM 0 H ASP A 23 -12.104 -5.561 3.075 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.757 -7.021 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.209 -7.753 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.401 -9.165 3.351 1.00 0.00 H new ATOM 348 N ARG A 24 -10.318 -8.076 2.208 1.00 0.00 N ATOM 349 CA ARG A 24 -9.223 -8.872 1.666 1.00 0.00 C ATOM 350 C ARG A 24 -7.867 -8.250 1.996 1.00 0.00 C ATOM 351 O ARG A 24 -7.241 -8.614 2.992 1.00 0.00 O ATOM 352 CB ARG A 24 -9.389 -9.053 0.154 1.00 0.00 C ATOM 353 CG ARG A 24 -8.427 -10.066 -0.445 1.00 0.00 C ATOM 354 CD ARG A 24 -9.082 -10.876 -1.552 1.00 0.00 C ATOM 355 NE ARG A 24 -10.188 -11.694 -1.056 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.473 -11.347 -1.140 1.00 0.00 C ATOM 357 NH1 ARG A 24 -11.827 -10.191 -1.687 1.00 0.00 N ATOM 358 NH2 ARG A 24 -12.407 -12.161 -0.668 1.00 0.00 N ATOM 0 H ARG A 24 -10.548 -7.244 1.665 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.256 -9.855 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.412 -9.367 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.243 -8.091 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.553 -9.548 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.072 -10.738 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.449 -10.201 -2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.337 -11.520 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.962 -12.587 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.113 -9.558 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.813 -9.935 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.142 -13.049 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.391 -11.899 -0.730 1.00 0.00 H new ATOM 372 N VAL A 25 -7.411 -7.317 1.166 1.00 0.00 N ATOM 373 CA VAL A 25 -6.123 -6.664 1.396 1.00 0.00 C ATOM 374 C VAL A 25 -6.221 -5.152 1.209 1.00 0.00 C ATOM 375 O VAL A 25 -7.279 -4.622 0.866 1.00 0.00 O ATOM 376 CB VAL A 25 -5.016 -7.212 0.465 1.00 0.00 C ATOM 377 CG1 VAL A 25 -3.701 -7.337 1.220 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.416 -8.552 -0.138 1.00 0.00 C ATOM 0 H VAL A 25 -7.908 -6.997 0.335 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.854 -6.886 2.429 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.883 -6.504 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.933 -7.724 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.400 -6.357 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.827 -8.020 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.618 -8.911 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.587 -9.274 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.330 -8.431 -0.719 1.00 0.00 H new ATOM 388 N VAL A 26 -5.104 -4.464 1.434 1.00 0.00 N ATOM 389 CA VAL A 26 -5.045 -3.025 1.292 1.00 0.00 C ATOM 390 C VAL A 26 -3.599 -2.535 1.301 1.00 0.00 C ATOM 391 O VAL A 26 -2.785 -2.985 2.106 1.00 0.00 O ATOM 392 CB VAL A 26 -5.842 -2.316 2.408 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.332 -2.735 3.779 1.00 0.00 C ATOM 394 CG2 VAL A 26 -5.783 -0.801 2.249 1.00 0.00 C ATOM 0 H VAL A 26 -4.223 -4.892 1.718 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.498 -2.776 0.332 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.885 -2.620 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.906 -2.225 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.445 -3.813 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.279 -2.468 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.353 -0.329 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.746 -0.470 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.208 -0.519 1.286 1.00 0.00 H new ATOM 404 N VAL A 27 -3.285 -1.612 0.396 1.00 0.00 N ATOM 405 CA VAL A 27 -1.938 -1.065 0.301 1.00 0.00 C ATOM 406 C VAL A 27 -1.912 0.400 0.728 1.00 0.00 C ATOM 407 O VAL A 27 -2.910 1.111 0.606 1.00 0.00 O ATOM 408 CB VAL A 27 -1.384 -1.192 -1.132 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.012 -0.543 -1.246 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.325 -2.653 -1.551 1.00 0.00 C ATOM 0 H VAL A 27 -3.945 -1.229 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.306 -1.644 0.975 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.060 -0.666 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.356 -0.647 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.088 0.515 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.680 -1.031 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.932 -2.725 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.674 -3.201 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.327 -3.081 -1.519 1.00 0.00 H new ATOM 420 N ILE A 28 -0.765 0.845 1.228 1.00 0.00 N ATOM 421 CA ILE A 28 -0.608 2.224 1.674 1.00 0.00 C ATOM 422 C ILE A 28 0.771 2.764 1.311 1.00 0.00 C ATOM 423 O ILE A 28 1.786 2.106 1.540 1.00 0.00 O ATOM 424 CB ILE A 28 -0.811 2.350 3.195 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.100 1.646 3.621 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.841 3.815 3.606 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.352 2.277 3.050 1.00 0.00 C ATOM 0 H ILE A 28 0.071 0.270 1.335 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.372 2.810 1.164 1.00 0.00 H new ATOM 0 HB ILE A 28 0.027 1.868 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.054 0.603 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.164 1.651 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.985 3.888 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.102 4.289 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.661 4.319 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.227 1.726 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.422 3.313 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.310 2.248 1.961 1.00 0.00 H new ATOM 439 N ARG A 29 0.801 3.964 0.742 1.00 0.00 N ATOM 440 CA ARG A 29 2.056 4.592 0.347 1.00 0.00 C ATOM 441 C ARG A 29 2.426 5.721 1.304 1.00 0.00 C ATOM 442 O ARG A 29 1.609 6.594 1.594 1.00 0.00 O ATOM 443 CB ARG A 29 1.954 5.132 -1.081 1.00 0.00 C ATOM 444 CG ARG A 29 3.302 5.371 -1.740 1.00 0.00 C ATOM 445 CD ARG A 29 3.703 4.209 -2.635 1.00 0.00 C ATOM 446 NE ARG A 29 4.859 3.488 -2.109 1.00 0.00 N ATOM 447 CZ ARG A 29 6.073 4.019 -1.991 1.00 0.00 C ATOM 448 NH1 ARG A 29 6.294 5.275 -2.359 1.00 0.00 N ATOM 449 NH2 ARG A 29 7.071 3.294 -1.503 1.00 0.00 N ATOM 0 H ARG A 29 -0.030 4.521 0.544 1.00 0.00 H new ATOM 0 HA ARG A 29 2.839 3.835 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.383 4.428 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.395 6.068 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.262 6.287 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.062 5.518 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.863 3.522 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.932 4.582 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 29 4.728 2.520 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.531 5.838 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.227 5.677 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.908 2.328 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.001 3.702 -1.413 1.00 0.00 H new ATOM 463 N PHE A 30 3.662 5.694 1.793 1.00 0.00 N ATOM 464 CA PHE A 30 4.139 6.716 2.717 1.00 0.00 C ATOM 465 C PHE A 30 5.141 7.642 2.035 1.00 0.00 C ATOM 466 O PHE A 30 6.226 7.216 1.639 1.00 0.00 O ATOM 467 CB PHE A 30 4.783 6.063 3.942 1.00 0.00 C ATOM 468 CG PHE A 30 3.817 5.804 5.062 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.829 4.842 4.935 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.897 6.525 6.244 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.939 4.602 5.964 1.00 0.00 C ATOM 472 CE2 PHE A 30 3.010 6.289 7.277 1.00 0.00 C ATOM 473 CZ PHE A 30 2.029 5.326 7.137 1.00 0.00 C ATOM 0 H PHE A 30 4.350 4.976 1.565 1.00 0.00 H new ATOM 0 HA PHE A 30 3.283 7.310 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.240 5.120 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.585 6.705 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.753 4.272 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.661 7.279 6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.173 3.849 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.083 6.857 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.334 5.140 7.943 1.00 0.00 H new ATOM 483 N GLY A 31 4.768 8.911 1.901 1.00 0.00 N ATOM 484 CA GLY A 31 5.645 9.877 1.265 1.00 0.00 C ATOM 485 C GLY A 31 4.883 11.024 0.632 1.00 0.00 C ATOM 486 O GLY A 31 4.236 11.808 1.328 1.00 0.00 O ATOM 0 H GLY A 31 3.875 9.287 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.342 10.272 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.240 9.375 0.502 1.00 0.00 H new ATOM 490 N HIS A 32 4.959 11.124 -0.691 1.00 0.00 N ATOM 491 CA HIS A 32 4.270 12.183 -1.418 1.00 0.00 C ATOM 492 C HIS A 32 4.260 11.897 -2.916 1.00 0.00 C ATOM 493 O HIS A 32 5.106 11.160 -3.424 1.00 0.00 O ATOM 494 CB HIS A 32 4.939 13.532 -1.150 1.00 0.00 C ATOM 495 CG HIS A 32 4.016 14.701 -1.305 1.00 0.00 C ATOM 496 ND1 HIS A 32 3.009 14.988 -0.408 1.00 0.00 N ATOM 497 CD2 HIS A 32 3.951 15.658 -2.261 1.00 0.00 C ATOM 498 CE1 HIS A 32 2.364 16.072 -0.805 1.00 0.00 C ATOM 499 NE2 HIS A 32 2.916 16.496 -1.926 1.00 0.00 N ATOM 0 H HIS A 32 5.491 10.484 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 32 3.239 12.220 -1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.345 13.532 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.781 13.652 -1.831 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.795 14.448 0.431 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.593 15.746 -3.125 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.528 16.532 -0.298 1.00 0.00 H new ATOM 508 N ASP A 33 3.296 12.484 -3.619 1.00 0.00 N ATOM 509 CA ASP A 33 3.177 12.291 -5.059 1.00 0.00 C ATOM 510 C ASP A 33 4.432 12.773 -5.780 1.00 0.00 C ATOM 511 O ASP A 33 4.807 12.235 -6.822 1.00 0.00 O ATOM 512 CB ASP A 33 1.951 13.035 -5.594 1.00 0.00 C ATOM 513 CG ASP A 33 0.650 12.365 -5.200 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.292 11.346 -5.829 1.00 0.00 O ATOM 515 OD2 ASP A 33 -0.011 12.856 -4.261 1.00 0.00 O ATOM 0 H ASP A 33 2.587 13.096 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 33 3.059 11.224 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.958 14.058 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.011 13.094 -6.681 1.00 0.00 H new ATOM 520 N TRP A 34 5.078 13.790 -5.218 1.00 0.00 N ATOM 521 CA TRP A 34 6.292 14.343 -5.806 1.00 0.00 C ATOM 522 C TRP A 34 7.429 13.328 -5.764 1.00 0.00 C ATOM 523 O TRP A 34 8.286 13.304 -6.648 1.00 0.00 O ATOM 524 CB TRP A 34 6.703 15.620 -5.070 1.00 0.00 C ATOM 525 CG TRP A 34 6.126 16.865 -5.670 1.00 0.00 C ATOM 526 CD1 TRP A 34 5.410 17.831 -5.024 1.00 0.00 C ATOM 527 CD2 TRP A 34 6.214 17.277 -7.039 1.00 0.00 C ATOM 528 NE1 TRP A 34 5.048 18.820 -5.907 1.00 0.00 N ATOM 529 CE2 TRP A 34 5.529 18.503 -7.150 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.806 16.731 -8.181 1.00 0.00 C ATOM 531 CZ2 TRP A 34 5.421 19.189 -8.356 1.00 0.00 C ATOM 532 CZ3 TRP A 34 6.698 17.414 -9.379 1.00 0.00 C ATOM 533 CH2 TRP A 34 6.012 18.631 -9.458 1.00 0.00 C ATOM 0 H TRP A 34 4.781 14.247 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 34 6.084 14.584 -6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.388 15.548 -4.029 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.790 15.696 -5.070 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.164 17.820 -3.972 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.509 19.654 -5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 34 7.338 15.793 -8.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.890 20.127 -8.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.151 17.001 -10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.947 19.141 -10.408 1.00 0.00 H new ATOM 544 N ASP A 35 7.431 12.492 -4.731 1.00 0.00 N ATOM 545 CA ASP A 35 8.464 11.473 -4.575 1.00 0.00 C ATOM 546 C ASP A 35 8.470 10.517 -5.764 1.00 0.00 C ATOM 547 O ASP A 35 7.427 10.252 -6.364 1.00 0.00 O ATOM 548 CB ASP A 35 8.246 10.692 -3.278 1.00 0.00 C ATOM 549 CG ASP A 35 8.467 11.546 -2.045 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.551 12.158 -1.933 1.00 0.00 O ATOM 551 OD2 ASP A 35 7.558 11.602 -1.191 1.00 0.00 O ATOM 0 H ASP A 35 6.730 12.499 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 35 9.431 11.974 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.232 10.293 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.924 9.839 -3.252 1.00 0.00 H new ATOM 556 N PRO A 36 9.650 9.983 -6.124 1.00 0.00 N ATOM 557 CA PRO A 36 9.785 9.052 -7.249 1.00 0.00 C ATOM 558 C PRO A 36 9.133 7.702 -6.965 1.00 0.00 C ATOM 559 O PRO A 36 8.378 7.182 -7.786 1.00 0.00 O ATOM 560 CB PRO A 36 11.298 8.893 -7.405 1.00 0.00 C ATOM 561 CG PRO A 36 11.856 9.210 -6.060 1.00 0.00 C ATOM 562 CD PRO A 36 10.943 10.244 -5.464 1.00 0.00 C ATOM 0 HA PRO A 36 9.290 9.425 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.559 7.881 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.690 9.569 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.896 8.318 -5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.875 9.589 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.870 10.139 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.298 11.255 -5.662 1.00 0.00 H new ATOM 570 N THR A 37 9.433 7.138 -5.799 1.00 0.00 N ATOM 571 CA THR A 37 8.882 5.853 -5.405 1.00 0.00 C ATOM 572 C THR A 37 7.359 5.880 -5.442 1.00 0.00 C ATOM 573 O THR A 37 6.716 4.884 -5.773 1.00 0.00 O ATOM 574 CB THR A 37 9.364 5.476 -4.004 1.00 0.00 C ATOM 575 OG1 THR A 37 10.762 5.674 -3.885 1.00 0.00 O ATOM 576 CG2 THR A 37 9.071 4.037 -3.639 1.00 0.00 C ATOM 0 H THR A 37 10.058 7.556 -5.110 1.00 0.00 H new ATOM 0 HA THR A 37 9.231 5.103 -6.115 1.00 0.00 H new ATOM 0 HB THR A 37 8.814 6.126 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.197 4.821 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.439 3.835 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.995 3.865 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.568 3.374 -4.347 1.00 0.00 H new ATOM 584 N CYS A 38 6.790 7.031 -5.100 1.00 0.00 N ATOM 585 CA CYS A 38 5.342 7.196 -5.094 1.00 0.00 C ATOM 586 C CYS A 38 4.808 7.356 -6.513 1.00 0.00 C ATOM 587 O CYS A 38 3.685 6.951 -6.815 1.00 0.00 O ATOM 588 CB CYS A 38 4.950 8.409 -4.249 1.00 0.00 C ATOM 589 SG CYS A 38 3.173 8.558 -3.950 1.00 0.00 S ATOM 0 H CYS A 38 7.310 7.864 -4.823 1.00 0.00 H new ATOM 0 HA CYS A 38 4.900 6.300 -4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.465 8.352 -3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.301 9.313 -4.746 1.00 0.00 H new ATOM 0 HG CYS A 38 2.959 9.480 -3.059 1.00 0.00 H new ATOM 595 N MET A 39 5.622 7.947 -7.380 1.00 0.00 N ATOM 596 CA MET A 39 5.235 8.161 -8.770 1.00 0.00 C ATOM 597 C MET A 39 5.423 6.887 -9.588 1.00 0.00 C ATOM 598 O MET A 39 4.647 6.605 -10.501 1.00 0.00 O ATOM 599 CB MET A 39 6.058 9.296 -9.381 1.00 0.00 C ATOM 600 CG MET A 39 5.366 9.991 -10.542 1.00 0.00 C ATOM 601 SD MET A 39 6.519 10.497 -11.834 1.00 0.00 S ATOM 602 CE MET A 39 6.208 12.259 -11.896 1.00 0.00 C ATOM 0 H MET A 39 6.555 8.287 -7.145 1.00 0.00 H new ATOM 0 HA MET A 39 4.180 8.434 -8.790 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.278 10.031 -8.607 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.013 8.898 -9.724 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.619 9.321 -10.969 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.834 10.867 -10.171 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.848 12.715 -12.651 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.163 12.435 -12.151 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.423 12.701 -10.923 1.00 0.00 H new ATOM 612 N LYS A 40 6.456 6.122 -9.253 1.00 0.00 N ATOM 613 CA LYS A 40 6.746 4.879 -9.956 1.00 0.00 C ATOM 614 C LYS A 40 5.634 3.860 -9.734 1.00 0.00 C ATOM 615 O LYS A 40 5.123 3.267 -10.684 1.00 0.00 O ATOM 616 CB LYS A 40 8.083 4.302 -9.485 1.00 0.00 C ATOM 617 CG LYS A 40 9.274 4.791 -10.292 1.00 0.00 C ATOM 618 CD LYS A 40 9.665 3.792 -11.369 1.00 0.00 C ATOM 619 CE LYS A 40 8.540 3.584 -12.370 1.00 0.00 C ATOM 620 NZ LYS A 40 8.771 2.386 -13.224 1.00 0.00 N ATOM 0 H LYS A 40 7.106 6.341 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 40 6.808 5.098 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.233 4.563 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.039 3.214 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.034 5.749 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.121 4.961 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.555 4.146 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.923 2.839 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.596 3.473 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.448 4.468 -13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.982 2.279 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.659 2.502 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.833 1.539 -12.624 1.00 0.00 H new ATOM 634 N MET A 41 5.265 3.663 -8.475 1.00 0.00 N ATOM 635 CA MET A 41 4.212 2.715 -8.126 1.00 0.00 C ATOM 636 C MET A 41 2.875 3.140 -8.725 1.00 0.00 C ATOM 637 O MET A 41 2.215 2.361 -9.411 1.00 0.00 O ATOM 638 CB MET A 41 4.088 2.597 -6.605 1.00 0.00 C ATOM 639 CG MET A 41 3.012 1.621 -6.155 1.00 0.00 C ATOM 640 SD MET A 41 3.106 1.248 -4.393 1.00 0.00 S ATOM 641 CE MET A 41 1.809 0.023 -4.238 1.00 0.00 C ATOM 0 H MET A 41 5.679 4.146 -7.678 1.00 0.00 H new ATOM 0 HA MET A 41 4.481 1.743 -8.539 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.047 2.282 -6.194 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.871 3.581 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.031 2.038 -6.382 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.105 0.696 -6.724 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.089 -0.710 -3.482 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.880 0.512 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.667 -0.479 -5.195 1.00 0.00 H new ATOM 651 N ASP A 42 2.482 4.381 -8.458 1.00 0.00 N ATOM 652 CA ASP A 42 1.222 4.912 -8.969 1.00 0.00 C ATOM 653 C ASP A 42 1.183 4.862 -10.494 1.00 0.00 C ATOM 654 O ASP A 42 0.173 4.482 -11.085 1.00 0.00 O ATOM 655 CB ASP A 42 1.021 6.351 -8.490 1.00 0.00 C ATOM 656 CG ASP A 42 0.239 6.425 -7.193 1.00 0.00 C ATOM 657 OD1 ASP A 42 0.212 5.414 -6.459 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.346 7.492 -6.912 1.00 0.00 O ATOM 0 H ASP A 42 3.017 5.038 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 42 0.414 4.290 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.993 6.824 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.497 6.917 -9.260 1.00 0.00 H new ATOM 663 N GLU A 43 2.288 5.249 -11.124 1.00 0.00 N ATOM 664 CA GLU A 43 2.377 5.248 -12.581 1.00 0.00 C ATOM 665 C GLU A 43 2.123 3.854 -13.144 1.00 0.00 C ATOM 666 O GLU A 43 1.595 3.707 -14.246 1.00 0.00 O ATOM 667 CB GLU A 43 3.752 5.749 -13.028 1.00 0.00 C ATOM 668 CG GLU A 43 3.872 7.263 -13.048 1.00 0.00 C ATOM 669 CD GLU A 43 3.772 7.837 -14.447 1.00 0.00 C ATOM 670 OE1 GLU A 43 3.162 7.181 -15.317 1.00 0.00 O ATOM 671 OE2 GLU A 43 4.305 8.944 -14.674 1.00 0.00 O ATOM 0 H GLU A 43 3.133 5.567 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 43 1.609 5.919 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.512 5.342 -12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.963 5.363 -14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.088 7.694 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.825 7.554 -12.607 1.00 0.00 H new ATOM 678 N VAL A 44 2.501 2.834 -12.382 1.00 0.00 N ATOM 679 CA VAL A 44 2.315 1.452 -12.807 1.00 0.00 C ATOM 680 C VAL A 44 0.927 0.944 -12.430 1.00 0.00 C ATOM 681 O VAL A 44 0.237 0.332 -13.245 1.00 0.00 O ATOM 682 CB VAL A 44 3.376 0.525 -12.185 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.300 -0.865 -12.799 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.770 1.117 -12.353 1.00 0.00 C ATOM 0 H VAL A 44 2.938 2.938 -11.466 1.00 0.00 H new ATOM 0 HA VAL A 44 2.423 1.437 -13.892 1.00 0.00 H new ATOM 0 HB VAL A 44 3.171 0.436 -11.118 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.058 -1.505 -12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.312 -1.289 -12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.476 -0.799 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.506 0.448 -11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.987 1.240 -13.414 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.815 2.087 -11.858 1.00 0.00 H new ATOM 694 N LEU A 45 0.522 1.206 -11.191 1.00 0.00 N ATOM 695 CA LEU A 45 -0.786 0.780 -10.700 1.00 0.00 C ATOM 696 C LEU A 45 -1.893 1.175 -11.673 1.00 0.00 C ATOM 697 O LEU A 45 -2.820 0.402 -11.920 1.00 0.00 O ATOM 698 CB LEU A 45 -1.062 1.390 -9.324 1.00 0.00 C ATOM 699 CG LEU A 45 -0.219 0.819 -8.182 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.358 1.679 -6.935 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.622 -0.617 -7.889 1.00 0.00 C ATOM 0 H LEU A 45 1.082 1.713 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.774 -0.307 -10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.891 2.465 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.116 1.247 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 45 0.827 0.826 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.248 1.258 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.019 2.692 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.403 1.704 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.012 -1.007 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.673 -0.649 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.470 -1.227 -8.780 1.00 0.00 H new ATOM 713 N TYR A 46 -1.790 2.381 -12.223 1.00 0.00 N ATOM 714 CA TYR A 46 -2.783 2.874 -13.169 1.00 0.00 C ATOM 715 C TYR A 46 -2.857 1.973 -14.394 1.00 0.00 C ATOM 716 O TYR A 46 -3.940 1.672 -14.896 1.00 0.00 O ATOM 717 CB TYR A 46 -2.451 4.307 -13.591 1.00 0.00 C ATOM 718 CG TYR A 46 -3.665 5.197 -13.724 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.701 4.867 -14.588 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.775 6.369 -12.986 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.813 5.679 -14.713 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.883 7.186 -13.106 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.899 6.836 -13.969 1.00 0.00 C ATOM 724 OH TYR A 46 -7.004 7.647 -14.091 1.00 0.00 O ATOM 0 H TYR A 46 -1.030 3.033 -12.030 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.755 2.867 -12.676 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.770 4.743 -12.860 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.923 4.283 -14.544 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.637 3.961 -15.172 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.982 6.646 -12.308 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.610 5.408 -15.390 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.952 8.095 -12.526 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.909 8.421 -13.498 1.00 0.00 H new ATOM 734 N SER A 47 -1.695 1.543 -14.868 1.00 0.00 N ATOM 735 CA SER A 47 -1.618 0.669 -16.033 1.00 0.00 C ATOM 736 C SER A 47 -1.661 -0.804 -15.625 1.00 0.00 C ATOM 737 O SER A 47 -1.432 -1.689 -16.450 1.00 0.00 O ATOM 738 CB SER A 47 -0.338 0.952 -16.822 1.00 0.00 C ATOM 739 OG SER A 47 -0.366 0.315 -18.088 1.00 0.00 O ATOM 0 H SER A 47 -0.791 1.785 -14.463 1.00 0.00 H new ATOM 0 HA SER A 47 -2.484 0.874 -16.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.220 2.027 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.526 0.604 -16.256 1.00 0.00 H new ATOM 0 HG SER A 47 -0.642 -0.619 -17.978 1.00 0.00 H new ATOM 745 N ILE A 48 -1.954 -1.062 -14.353 1.00 0.00 N ATOM 746 CA ILE A 48 -2.025 -2.428 -13.848 1.00 0.00 C ATOM 747 C ILE A 48 -2.800 -2.486 -12.534 1.00 0.00 C ATOM 748 O ILE A 48 -2.339 -3.066 -11.550 1.00 0.00 O ATOM 749 CB ILE A 48 -0.614 -3.023 -13.643 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.705 -4.525 -13.367 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.114 -2.308 -12.511 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.728 -5.367 -14.624 1.00 0.00 C ATOM 0 H ILE A 48 -2.146 -0.343 -13.655 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.550 -3.022 -14.596 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.041 -2.875 -14.558 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.144 -4.826 -12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.606 -4.726 -12.787 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.105 -2.743 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.210 -1.249 -12.752 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.452 -2.420 -11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.793 -6.421 -14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.592 -5.093 -15.230 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.185 -5.194 -15.194 1.00 0.00 H new ATOM 764 N ALA A 49 -3.980 -1.875 -12.524 1.00 0.00 N ATOM 765 CA ALA A 49 -4.820 -1.853 -11.333 1.00 0.00 C ATOM 766 C ALA A 49 -5.942 -2.882 -11.431 1.00 0.00 C ATOM 767 O ALA A 49 -6.362 -3.455 -10.425 1.00 0.00 O ATOM 768 CB ALA A 49 -5.397 -0.461 -11.121 1.00 0.00 C ATOM 0 H ALA A 49 -4.376 -1.388 -13.328 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.198 -2.113 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.022 -0.458 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.584 0.255 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.998 -0.181 -11.986 1.00 0.00 H new ATOM 774 N GLU A 50 -6.424 -3.113 -12.648 1.00 0.00 N ATOM 775 CA GLU A 50 -7.498 -4.071 -12.880 1.00 0.00 C ATOM 776 C GLU A 50 -7.225 -5.395 -12.169 1.00 0.00 C ATOM 777 O GLU A 50 -8.152 -6.110 -11.789 1.00 0.00 O ATOM 778 CB GLU A 50 -7.676 -4.315 -14.380 1.00 0.00 C ATOM 779 CG GLU A 50 -6.387 -4.691 -15.092 1.00 0.00 C ATOM 780 CD GLU A 50 -6.456 -4.451 -16.587 1.00 0.00 C ATOM 781 OE1 GLU A 50 -7.568 -4.524 -17.150 1.00 0.00 O ATOM 782 OE2 GLU A 50 -5.396 -4.190 -17.196 1.00 0.00 O ATOM 0 H GLU A 50 -6.086 -2.648 -13.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.415 -3.647 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.407 -5.110 -14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.086 -3.416 -14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.563 -4.114 -14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.167 -5.742 -14.906 1.00 0.00 H new ATOM 789 N LYS A 51 -5.946 -5.714 -11.993 1.00 0.00 N ATOM 790 CA LYS A 51 -5.552 -6.950 -11.329 1.00 0.00 C ATOM 791 C LYS A 51 -5.859 -6.890 -9.835 1.00 0.00 C ATOM 792 O LYS A 51 -6.423 -7.828 -9.271 1.00 0.00 O ATOM 793 CB LYS A 51 -4.061 -7.217 -11.545 1.00 0.00 C ATOM 794 CG LYS A 51 -3.614 -7.031 -12.987 1.00 0.00 C ATOM 795 CD LYS A 51 -2.874 -8.253 -13.506 1.00 0.00 C ATOM 796 CE LYS A 51 -3.214 -8.535 -14.961 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.691 -7.477 -15.869 1.00 0.00 N ATOM 0 H LYS A 51 -5.166 -5.133 -12.301 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.128 -7.766 -11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.484 -6.549 -10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.833 -8.236 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.483 -6.837 -13.616 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.968 -6.156 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.800 -8.099 -13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.130 -9.120 -12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.798 -9.500 -15.251 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.296 -8.608 -15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.057 -7.632 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.998 -6.544 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.652 -7.515 -15.884 1.00 0.00 H new ATOM 811 N VAL A 52 -5.484 -5.785 -9.200 1.00 0.00 N ATOM 812 CA VAL A 52 -5.722 -5.608 -7.772 1.00 0.00 C ATOM 813 C VAL A 52 -7.209 -5.425 -7.480 1.00 0.00 C ATOM 814 O VAL A 52 -7.679 -5.742 -6.387 1.00 0.00 O ATOM 815 CB VAL A 52 -4.944 -4.398 -7.215 1.00 0.00 C ATOM 816 CG1 VAL A 52 -3.444 -4.611 -7.361 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.378 -3.113 -7.906 1.00 0.00 C ATOM 0 H VAL A 52 -5.015 -4.999 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.368 -6.513 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.172 -4.305 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.913 -3.746 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.148 -5.504 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.195 -4.735 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.817 -2.273 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.185 -3.192 -8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.443 -2.953 -7.740 1.00 0.00 H new ATOM 827 N LYS A 53 -7.943 -4.909 -8.462 1.00 0.00 N ATOM 828 CA LYS A 53 -9.373 -4.680 -8.315 1.00 0.00 C ATOM 829 C LYS A 53 -10.082 -5.923 -7.782 1.00 0.00 C ATOM 830 O LYS A 53 -9.796 -7.042 -8.208 1.00 0.00 O ATOM 831 CB LYS A 53 -9.984 -4.267 -9.655 1.00 0.00 C ATOM 832 CG LYS A 53 -11.094 -3.236 -9.527 1.00 0.00 C ATOM 833 CD LYS A 53 -12.454 -3.897 -9.375 1.00 0.00 C ATOM 834 CE LYS A 53 -13.048 -4.265 -10.725 1.00 0.00 C ATOM 835 NZ LYS A 53 -14.524 -4.068 -10.754 1.00 0.00 N ATOM 0 H LYS A 53 -7.567 -4.641 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.509 -3.874 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.198 -3.865 -10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.378 -5.153 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.901 -2.597 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.097 -2.593 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.358 -4.793 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.131 -3.223 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.585 -3.658 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.816 -5.305 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.891 -4.330 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.968 -4.666 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.745 -3.070 -10.562 1.00 0.00 H new ATOM 849 N ASN A 54 -11.007 -5.717 -6.851 1.00 0.00 N ATOM 850 CA ASN A 54 -11.759 -6.820 -6.261 1.00 0.00 C ATOM 851 C ASN A 54 -10.830 -7.787 -5.533 1.00 0.00 C ATOM 852 O ASN A 54 -11.092 -8.988 -5.476 1.00 0.00 O ATOM 853 CB ASN A 54 -12.544 -7.565 -7.342 1.00 0.00 C ATOM 854 CG ASN A 54 -13.791 -8.232 -6.795 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.874 -7.647 -6.800 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.644 -9.463 -6.319 1.00 0.00 N ATOM 0 H ASN A 54 -11.255 -4.796 -6.488 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.458 -6.402 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.825 -6.866 -8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.903 -8.319 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.448 -9.962 -5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.727 -9.910 -6.335 1.00 0.00 H new ATOM 863 N PHE A 55 -9.746 -7.256 -4.976 1.00 0.00 N ATOM 864 CA PHE A 55 -8.781 -8.075 -4.250 1.00 0.00 C ATOM 865 C PHE A 55 -8.083 -7.264 -3.167 1.00 0.00 C ATOM 866 O PHE A 55 -7.926 -7.721 -2.034 1.00 0.00 O ATOM 867 CB PHE A 55 -7.748 -8.661 -5.214 1.00 0.00 C ATOM 868 CG PHE A 55 -8.318 -9.679 -6.160 1.00 0.00 C ATOM 869 CD1 PHE A 55 -8.757 -10.908 -5.693 1.00 0.00 C ATOM 870 CD2 PHE A 55 -8.417 -9.407 -7.514 1.00 0.00 C ATOM 871 CE1 PHE A 55 -9.282 -11.847 -6.560 1.00 0.00 C ATOM 872 CE2 PHE A 55 -8.941 -10.342 -8.387 1.00 0.00 C ATOM 873 CZ PHE A 55 -9.374 -11.563 -7.909 1.00 0.00 C ATOM 0 H PHE A 55 -9.514 -6.263 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.323 -8.891 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.301 -7.851 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.946 -9.122 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.688 -11.134 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.081 -8.453 -7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.620 -12.801 -6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.012 -10.118 -9.441 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.784 -12.295 -8.589 1.00 0.00 H new ATOM 883 N ALA A 56 -7.666 -6.058 -3.521 1.00 0.00 N ATOM 884 CA ALA A 56 -6.984 -5.179 -2.582 1.00 0.00 C ATOM 885 C ALA A 56 -7.240 -3.715 -2.919 1.00 0.00 C ATOM 886 O ALA A 56 -7.571 -3.377 -4.055 1.00 0.00 O ATOM 887 CB ALA A 56 -5.492 -5.470 -2.575 1.00 0.00 C ATOM 0 H ALA A 56 -7.788 -5.664 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.383 -5.370 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.995 -4.805 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.325 -6.505 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.085 -5.308 -3.573 1.00 0.00 H new ATOM 893 N VAL A 57 -7.083 -2.849 -1.924 1.00 0.00 N ATOM 894 CA VAL A 57 -7.297 -1.421 -2.114 1.00 0.00 C ATOM 895 C VAL A 57 -6.087 -0.622 -1.646 1.00 0.00 C ATOM 896 O VAL A 57 -5.677 -0.718 -0.490 1.00 0.00 O ATOM 897 CB VAL A 57 -8.547 -0.931 -1.359 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.809 -1.294 -2.124 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.581 -1.510 0.048 1.00 0.00 C ATOM 0 H VAL A 57 -6.808 -3.112 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.446 -1.262 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.499 0.155 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.682 -0.940 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.785 -0.826 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.867 -2.376 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.471 -1.153 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.605 -2.598 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.692 -1.194 0.593 1.00 0.00 H new ATOM 909 N ILE A 58 -5.514 0.163 -2.552 1.00 0.00 N ATOM 910 CA ILE A 58 -4.346 0.971 -2.231 1.00 0.00 C ATOM 911 C ILE A 58 -4.727 2.435 -2.023 1.00 0.00 C ATOM 912 O ILE A 58 -5.759 2.893 -2.512 1.00 0.00 O ATOM 913 CB ILE A 58 -3.276 0.868 -3.338 1.00 0.00 C ATOM 914 CG1 ILE A 58 -1.964 1.520 -2.877 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.780 1.489 -4.635 1.00 0.00 C ATOM 916 CD1 ILE A 58 -1.848 2.995 -3.209 1.00 0.00 C ATOM 0 H ILE A 58 -5.840 0.256 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.931 0.580 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.077 -0.186 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.869 1.394 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.129 0.990 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.010 1.405 -5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.678 0.966 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.013 2.541 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.892 3.375 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.908 3.131 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.660 3.541 -2.729 1.00 0.00 H new ATOM 928 N TYR A 59 -3.880 3.165 -1.302 1.00 0.00 N ATOM 929 CA TYR A 59 -4.112 4.567 -1.035 1.00 0.00 C ATOM 930 C TYR A 59 -2.808 5.278 -0.686 1.00 0.00 C ATOM 931 O TYR A 59 -2.000 4.767 0.090 1.00 0.00 O ATOM 932 CB TYR A 59 -5.126 4.749 0.097 1.00 0.00 C ATOM 933 CG TYR A 59 -6.396 3.949 -0.080 1.00 0.00 C ATOM 934 CD1 TYR A 59 -6.495 2.651 0.406 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.497 4.492 -0.731 1.00 0.00 C ATOM 936 CE1 TYR A 59 -7.655 1.916 0.248 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.660 3.763 -0.894 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.734 2.478 -0.402 1.00 0.00 C ATOM 939 OH TYR A 59 -9.891 1.749 -0.562 1.00 0.00 O ATOM 0 H TYR A 59 -3.021 2.797 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.520 5.012 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.658 4.464 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.382 5.806 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.652 2.209 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.443 5.500 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.716 0.908 0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.506 4.198 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.174 1.786 -1.499 1.00 0.00 H new ATOM 949 N LEU A 60 -2.611 6.457 -1.266 1.00 0.00 N ATOM 950 CA LEU A 60 -1.405 7.239 -1.017 1.00 0.00 C ATOM 951 C LEU A 60 -1.575 8.122 0.215 1.00 0.00 C ATOM 952 O LEU A 60 -2.583 8.814 0.361 1.00 0.00 O ATOM 953 CB LEU A 60 -1.071 8.103 -2.235 1.00 0.00 C ATOM 954 CG LEU A 60 -0.790 7.328 -3.523 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.281 6.273 -3.290 1.00 0.00 C ATOM 956 CD2 LEU A 60 -2.066 6.687 -4.048 1.00 0.00 C ATOM 0 H LEU A 60 -3.270 6.892 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.584 6.546 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.901 8.787 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.200 8.714 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.423 8.029 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.467 5.732 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.201 6.755 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.057 5.575 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.848 6.140 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.462 6.000 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.804 7.462 -4.255 1.00 0.00 H new ATOM 968 N VAL A 61 -0.583 8.093 1.100 1.00 0.00 N ATOM 969 CA VAL A 61 -0.623 8.891 2.319 1.00 0.00 C ATOM 970 C VAL A 61 0.408 10.013 2.278 1.00 0.00 C ATOM 971 O VAL A 61 1.587 9.777 2.012 1.00 0.00 O ATOM 972 CB VAL A 61 -0.371 8.023 3.567 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.609 8.829 4.835 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.250 6.783 3.541 1.00 0.00 C ATOM 0 H VAL A 61 0.258 7.525 0.995 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.622 9.323 2.380 1.00 0.00 H new ATOM 0 HB VAL A 61 0.670 7.701 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.426 8.200 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.068 9.683 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.640 9.183 4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.058 6.182 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.298 7.081 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.025 6.196 2.651 1.00 0.00 H new ATOM 984 N ASP A 62 -0.043 11.235 2.543 1.00 0.00 N ATOM 985 CA ASP A 62 0.840 12.394 2.536 1.00 0.00 C ATOM 986 C ASP A 62 1.480 12.599 3.906 1.00 0.00 C ATOM 987 O ASP A 62 0.789 12.846 4.894 1.00 0.00 O ATOM 988 CB ASP A 62 0.067 13.650 2.129 1.00 0.00 C ATOM 989 CG ASP A 62 -0.021 13.813 0.625 1.00 0.00 C ATOM 990 OD1 ASP A 62 0.842 13.255 -0.085 1.00 0.00 O ATOM 991 OD2 ASP A 62 -0.955 14.497 0.156 1.00 0.00 O ATOM 0 H ASP A 62 -1.016 11.447 2.765 1.00 0.00 H new ATOM 0 HA ASP A 62 1.631 12.211 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.939 13.605 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.552 14.527 2.559 1.00 0.00 H new ATOM 996 N ILE A 63 2.804 12.495 3.956 1.00 0.00 N ATOM 997 CA ILE A 63 3.539 12.669 5.204 1.00 0.00 C ATOM 998 C ILE A 63 3.798 14.146 5.488 1.00 0.00 C ATOM 999 O ILE A 63 4.943 14.568 5.655 1.00 0.00 O ATOM 1000 CB ILE A 63 4.884 11.916 5.174 1.00 0.00 C ATOM 1001 CG1 ILE A 63 4.675 10.474 4.710 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.538 11.947 6.547 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.957 9.673 4.630 1.00 0.00 C ATOM 0 H ILE A 63 3.390 12.291 3.147 1.00 0.00 H new ATOM 0 HA ILE A 63 2.918 12.254 5.998 1.00 0.00 H new ATOM 0 HB ILE A 63 5.547 12.413 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.987 9.977 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.199 10.482 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.487 11.411 6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.716 12.981 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.880 11.471 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.733 8.660 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.639 10.147 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.424 9.634 5.614 1.00 0.00 H new ATOM 1015 N THR A 64 2.725 14.927 5.541 1.00 0.00 N ATOM 1016 CA THR A 64 2.831 16.357 5.805 1.00 0.00 C ATOM 1017 C THR A 64 1.475 16.934 6.199 1.00 0.00 C ATOM 1018 O THR A 64 1.360 17.655 7.190 1.00 0.00 O ATOM 1019 CB THR A 64 3.371 17.087 4.574 1.00 0.00 C ATOM 1020 OG1 THR A 64 4.621 16.550 4.182 1.00 0.00 O ATOM 1021 CG2 THR A 64 3.557 18.573 4.793 1.00 0.00 C ATOM 0 H THR A 64 1.771 14.593 5.404 1.00 0.00 H new ATOM 0 HA THR A 64 3.524 16.500 6.634 1.00 0.00 H new ATOM 0 HB THR A 64 2.619 16.943 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.031 16.087 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.942 19.030 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.599 19.026 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.264 18.735 5.607 1.00 0.00 H new ATOM 1029 N GLU A 65 0.452 16.609 5.416 1.00 0.00 N ATOM 1030 CA GLU A 65 -0.898 17.091 5.683 1.00 0.00 C ATOM 1031 C GLU A 65 -1.650 16.120 6.587 1.00 0.00 C ATOM 1032 O GLU A 65 -2.497 16.526 7.383 1.00 0.00 O ATOM 1033 CB GLU A 65 -1.662 17.282 4.371 1.00 0.00 C ATOM 1034 CG GLU A 65 -3.013 17.958 4.548 1.00 0.00 C ATOM 1035 CD GLU A 65 -3.572 18.492 3.243 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -2.825 19.174 2.513 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -4.757 18.227 2.954 1.00 0.00 O ATOM 0 H GLU A 65 0.532 16.014 4.591 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.822 18.051 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.054 17.876 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.810 16.310 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.718 17.246 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.915 18.778 5.260 1.00 0.00 H new ATOM 1044 N VAL A 66 -1.336 14.835 6.458 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.981 13.806 7.264 1.00 0.00 C ATOM 1046 C VAL A 66 -1.478 13.828 8.708 1.00 0.00 C ATOM 1047 O VAL A 66 -2.277 13.820 9.645 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.760 12.400 6.671 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -2.580 11.366 7.429 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -2.106 12.382 5.190 1.00 0.00 C ATOM 0 H VAL A 66 -0.639 14.482 5.803 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.048 14.029 7.256 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.706 12.144 6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.411 10.380 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.279 11.359 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.638 11.617 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.943 11.381 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.152 12.660 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.471 13.092 4.659 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.147 13.856 8.916 1.00 0.00 N ATOM 1061 CA PRO A 67 0.433 13.878 10.261 1.00 0.00 C ATOM 1062 C PRO A 67 0.326 15.250 10.917 1.00 0.00 C ATOM 1063 O PRO A 67 0.677 16.266 10.316 1.00 0.00 O ATOM 1064 CB PRO A 67 1.895 13.514 10.016 1.00 0.00 C ATOM 1065 CG PRO A 67 2.179 14.013 8.642 1.00 0.00 C ATOM 1066 CD PRO A 67 0.895 13.867 7.868 1.00 0.00 C ATOM 0 HA PRO A 67 -0.083 13.200 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.549 13.982 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.053 12.438 10.088 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.503 15.053 8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.981 13.439 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.752 14.692 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.883 12.948 7.282 1.00 0.00 H new ATOM 1235 N ASP A 77 13.533 8.910 5.359 1.00 0.00 N ATOM 1236 CA ASP A 77 13.918 8.133 4.186 1.00 0.00 C ATOM 1237 C ASP A 77 13.195 8.637 2.939 1.00 0.00 C ATOM 1238 O ASP A 77 12.177 9.322 3.037 1.00 0.00 O ATOM 1239 CB ASP A 77 13.610 6.652 4.404 1.00 0.00 C ATOM 1240 CG ASP A 77 14.115 6.146 5.742 1.00 0.00 C ATOM 1241 OD1 ASP A 77 13.530 6.524 6.778 1.00 0.00 O ATOM 1242 OD2 ASP A 77 15.097 5.374 5.753 1.00 0.00 O ATOM 0 HA ASP A 77 14.991 8.255 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.533 6.495 4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.064 6.068 3.603 1.00 0.00 H new ATOM 1247 N PRO A 78 13.715 8.303 1.745 1.00 0.00 N ATOM 1248 CA PRO A 78 13.112 8.726 0.476 1.00 0.00 C ATOM 1249 C PRO A 78 11.629 8.382 0.398 1.00 0.00 C ATOM 1250 O PRO A 78 10.796 9.242 0.114 1.00 0.00 O ATOM 1251 CB PRO A 78 13.901 7.937 -0.573 1.00 0.00 C ATOM 1252 CG PRO A 78 15.213 7.656 0.072 1.00 0.00 C ATOM 1253 CD PRO A 78 14.927 7.489 1.539 1.00 0.00 C ATOM 0 HA PRO A 78 13.161 9.806 0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.387 7.014 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.026 8.513 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.666 6.755 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.914 8.473 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.758 6.444 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.756 7.840 2.153 1.00 0.00 H new ATOM 1261 N CYS A 79 11.306 7.117 0.650 1.00 0.00 N ATOM 1262 CA CYS A 79 9.923 6.658 0.608 1.00 0.00 C ATOM 1263 C CYS A 79 9.826 5.190 1.013 1.00 0.00 C ATOM 1264 O CYS A 79 10.840 4.541 1.275 1.00 0.00 O ATOM 1265 CB CYS A 79 9.340 6.854 -0.793 1.00 0.00 C ATOM 1266 SG CYS A 79 8.240 8.282 -0.940 1.00 0.00 S ATOM 0 H CYS A 79 11.984 6.392 0.885 1.00 0.00 H new ATOM 0 HA CYS A 79 9.347 7.251 1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.159 6.965 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.792 5.955 -1.076 1.00 0.00 H new ATOM 0 HG CYS A 79 8.855 9.348 -0.522 1.00 0.00 H new ATOM 1272 N THR A 80 8.603 4.672 1.061 1.00 0.00 N ATOM 1273 CA THR A 80 8.379 3.281 1.434 1.00 0.00 C ATOM 1274 C THR A 80 6.905 2.913 1.312 1.00 0.00 C ATOM 1275 O THR A 80 6.026 3.755 1.499 1.00 0.00 O ATOM 1276 CB THR A 80 8.852 3.029 2.865 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.747 1.654 3.191 1.00 0.00 O ATOM 1278 CG2 THR A 80 8.062 3.804 3.898 1.00 0.00 C ATOM 0 H THR A 80 7.753 5.194 0.847 1.00 0.00 H new ATOM 0 HA THR A 80 8.953 2.656 0.750 1.00 0.00 H new ATOM 0 HB THR A 80 9.889 3.365 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.145 1.544 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.447 3.581 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.157 4.872 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.012 3.518 3.843 1.00 0.00 H new ATOM 1286 N VAL A 81 6.640 1.648 1.003 1.00 0.00 N ATOM 1287 CA VAL A 81 5.275 1.169 0.860 1.00 0.00 C ATOM 1288 C VAL A 81 4.843 0.363 2.084 1.00 0.00 C ATOM 1289 O VAL A 81 5.677 -0.072 2.878 1.00 0.00 O ATOM 1290 CB VAL A 81 5.122 0.307 -0.408 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.765 -1.062 -0.222 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.656 0.171 -0.791 1.00 0.00 C ATOM 0 H VAL A 81 7.355 0.937 0.847 1.00 0.00 H new ATOM 0 HA VAL A 81 4.631 2.044 0.772 1.00 0.00 H new ATOM 0 HB VAL A 81 5.642 0.811 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.642 -1.649 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.827 -0.939 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.287 -1.579 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.570 -0.441 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.109 -0.302 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.237 1.159 -0.984 1.00 0.00 H new ATOM 1302 N MET A 82 3.536 0.170 2.230 1.00 0.00 N ATOM 1303 CA MET A 82 2.998 -0.582 3.357 1.00 0.00 C ATOM 1304 C MET A 82 1.769 -1.387 2.945 1.00 0.00 C ATOM 1305 O MET A 82 1.036 -0.998 2.037 1.00 0.00 O ATOM 1306 CB MET A 82 2.639 0.366 4.503 1.00 0.00 C ATOM 1307 CG MET A 82 3.796 0.640 5.452 1.00 0.00 C ATOM 1308 SD MET A 82 3.245 1.047 7.119 1.00 0.00 S ATOM 1309 CE MET A 82 4.067 -0.229 8.069 1.00 0.00 C ATOM 0 H MET A 82 2.831 0.523 1.583 1.00 0.00 H new ATOM 0 HA MET A 82 3.766 -1.278 3.694 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.290 1.311 4.086 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.809 -0.058 5.068 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.444 -0.236 5.491 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.395 1.462 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.823 -0.111 9.125 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.734 -1.209 7.727 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.145 -0.145 7.934 1.00 0.00 H new ATOM 1319 N PHE A 83 1.552 -2.510 3.622 1.00 0.00 N ATOM 1320 CA PHE A 83 0.413 -3.372 3.333 1.00 0.00 C ATOM 1321 C PHE A 83 -0.385 -3.657 4.602 1.00 0.00 C ATOM 1322 O PHE A 83 0.188 -3.860 5.672 1.00 0.00 O ATOM 1323 CB PHE A 83 0.887 -4.686 2.709 1.00 0.00 C ATOM 1324 CG PHE A 83 0.901 -4.668 1.207 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.760 -3.825 0.520 1.00 0.00 C ATOM 1326 CD2 PHE A 83 0.056 -5.493 0.482 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.776 -3.805 -0.862 1.00 0.00 C ATOM 1328 CE2 PHE A 83 0.067 -5.478 -0.900 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.929 -4.633 -1.572 1.00 0.00 C ATOM 0 H PHE A 83 2.152 -2.844 4.376 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.234 -2.855 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.891 -4.909 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.239 -5.494 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.425 -3.176 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.619 -6.156 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.450 -3.143 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.597 -6.126 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.940 -4.620 -2.652 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.708 -3.668 4.477 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.578 -3.926 5.618 1.00 0.00 C ATOM 1341 C PHE A 84 -3.566 -5.045 5.309 1.00 0.00 C ATOM 1342 O PHE A 84 -4.026 -5.188 4.174 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.334 -2.652 6.007 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.689 -1.892 7.130 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.373 -1.467 7.032 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.399 -1.601 8.284 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -0.779 -0.766 8.064 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.808 -0.901 9.320 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.496 -0.483 9.209 1.00 0.00 C ATOM 0 H PHE A 84 -2.200 -3.502 3.599 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.954 -4.240 6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.408 -2.002 5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.351 -2.916 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.806 -1.686 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.425 -1.924 8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.247 -0.439 7.975 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.372 -0.681 10.215 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.032 0.064 10.016 1.00 0.00 H new ATOM 1359 N PHE A 85 -3.887 -5.838 6.328 1.00 0.00 N ATOM 1360 CA PHE A 85 -4.821 -6.947 6.173 1.00 0.00 C ATOM 1361 C PHE A 85 -5.544 -7.229 7.486 1.00 0.00 C ATOM 1362 O PHE A 85 -4.959 -7.132 8.564 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.078 -8.198 5.689 1.00 0.00 C ATOM 1364 CG PHE A 85 -4.783 -9.494 5.989 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.099 -9.687 5.607 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -4.124 -10.517 6.654 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -6.749 -10.877 5.882 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -4.768 -11.708 6.931 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.081 -11.888 6.545 1.00 0.00 C ATOM 0 H PHE A 85 -3.513 -5.732 7.271 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.567 -6.672 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.926 -8.122 4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.090 -8.220 6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.625 -8.899 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.097 -10.382 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.776 -11.015 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.244 -12.498 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.585 -12.818 6.761 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.820 -7.583 7.381 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.635 -7.886 8.553 1.00 0.00 C ATOM 1381 C ARG A 86 -7.522 -6.784 9.605 1.00 0.00 C ATOM 1382 O ARG A 86 -7.482 -7.059 10.805 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.216 -9.227 9.158 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.365 -9.999 9.784 1.00 0.00 C ATOM 1385 CD ARG A 86 -8.549 -9.635 11.248 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.615 -8.655 11.441 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.911 -8.958 11.430 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -11.306 -10.210 11.237 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.815 -8.006 11.612 1.00 0.00 N ATOM 0 H ARG A 86 -7.314 -7.668 6.493 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.675 -7.946 8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.759 -9.839 8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.452 -9.051 9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.285 -9.790 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.177 -11.069 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.777 -10.535 11.819 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.614 -9.236 11.642 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.351 -7.682 11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.615 -10.947 11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.301 -10.436 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.517 -7.042 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.808 -8.238 11.604 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.472 -5.536 9.148 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.362 -4.397 10.051 1.00 0.00 C ATOM 1405 C ASN A 87 -6.089 -4.485 10.887 1.00 0.00 C ATOM 1406 O ASN A 87 -6.052 -4.030 12.030 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.585 -4.328 10.969 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.798 -2.941 11.544 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -10.000 -2.406 11.365 1.00 0.00 O flip ATOM 1410 ND2 ASN A 87 -7.895 -2.359 12.143 1.00 0.00 N flip ATOM 0 H ASN A 87 -7.506 -5.289 8.159 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.316 -3.490 9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.472 -4.627 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.465 -5.042 11.784 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.986 -2.808 12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.055 -1.427 12.526 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.048 -5.075 10.308 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.772 -5.224 10.999 1.00 0.00 C ATOM 1419 C LYS A 88 -2.622 -4.729 10.129 1.00 0.00 C ATOM 1420 O LYS A 88 -2.835 -4.235 9.022 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.545 -6.687 11.383 1.00 0.00 C ATOM 1422 CG LYS A 88 -4.547 -7.211 12.399 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.263 -8.659 12.766 1.00 0.00 C ATOM 1424 CE LYS A 88 -5.032 -9.080 14.007 1.00 0.00 C ATOM 1425 NZ LYS A 88 -6.301 -9.780 13.664 1.00 0.00 N ATOM 0 H LYS A 88 -5.063 -5.458 9.363 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.804 -4.619 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.596 -7.302 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.539 -6.796 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.513 -6.594 13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.555 -7.128 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.533 -9.307 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.194 -8.789 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.409 -9.736 14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.254 -8.201 14.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.515 -10.489 14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.077 -9.089 13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.199 -10.252 12.743 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.401 -4.865 10.637 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.215 -4.431 9.906 1.00 0.00 C ATOM 1441 C HIS A 89 0.479 -5.615 9.240 1.00 0.00 C ATOM 1442 O HIS A 89 0.362 -6.752 9.696 1.00 0.00 O ATOM 1443 CB HIS A 89 0.758 -3.718 10.847 1.00 0.00 C ATOM 1444 CG HIS A 89 0.119 -2.636 11.662 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -1.149 -2.161 11.668 1.00 0.00 N flip ATOM 1446 CD2 HIS A 89 0.804 -1.906 12.611 1.00 0.00 C flip ATOM 1447 CE1 HIS A 89 -1.206 -1.165 12.610 1.00 0.00 C flip ATOM 1448 NE2 HIS A 89 -0.015 -1.029 13.165 1.00 0.00 N flip ATOM 0 H HIS A 89 -1.207 -5.272 11.552 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.533 -3.736 9.129 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.205 -4.451 11.518 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.569 -3.288 10.260 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.847 -2.032 12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.083 -0.586 12.858 1.00 0.00 H new ATOM 0 HE2 HIS A 89 0.231 -0.361 13.896 1.00 0.00 H new ATOM 1457 N ILE A 90 1.202 -5.338 8.161 1.00 0.00 N ATOM 1458 CA ILE A 90 1.918 -6.378 7.431 1.00 0.00 C ATOM 1459 C ILE A 90 2.861 -5.771 6.397 1.00 0.00 C ATOM 1460 O ILE A 90 2.506 -4.819 5.701 1.00 0.00 O ATOM 1461 CB ILE A 90 0.943 -7.344 6.728 1.00 0.00 C ATOM 1462 CG1 ILE A 90 1.710 -8.491 6.066 1.00 0.00 C ATOM 1463 CG2 ILE A 90 0.102 -6.599 5.701 1.00 0.00 C ATOM 1464 CD1 ILE A 90 0.858 -9.711 5.795 1.00 0.00 C ATOM 0 H ILE A 90 1.308 -4.401 7.772 1.00 0.00 H new ATOM 0 HA ILE A 90 2.501 -6.938 8.162 1.00 0.00 H new ATOM 0 HB ILE A 90 0.274 -7.766 7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.135 -8.138 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.545 -8.776 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.580 -7.296 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.472 -5.817 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.755 -6.149 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.467 -10.483 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.454 -10.089 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.038 -9.441 5.130 1.00 0.00 H new ATOM 1476 N MET A 91 4.066 -6.324 6.302 1.00 0.00 N ATOM 1477 CA MET A 91 5.060 -5.835 5.355 1.00 0.00 C ATOM 1478 C MET A 91 5.040 -6.657 4.069 1.00 0.00 C ATOM 1479 O MET A 91 5.129 -7.883 4.102 1.00 0.00 O ATOM 1480 CB MET A 91 6.455 -5.880 5.980 1.00 0.00 C ATOM 1481 CG MET A 91 6.786 -4.657 6.819 1.00 0.00 C ATOM 1482 SD MET A 91 7.389 -3.277 5.826 1.00 0.00 S ATOM 1483 CE MET A 91 8.511 -2.495 6.981 1.00 0.00 C ATOM 0 H MET A 91 4.377 -7.112 6.870 1.00 0.00 H new ATOM 0 HA MET A 91 4.812 -4.803 5.108 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.536 -6.771 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.196 -5.978 5.187 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.896 -4.345 7.366 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.539 -4.923 7.561 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.965 -1.622 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.961 -2.185 7.870 1.00 0.00 H new ATOM 0 HE3 MET A 91 9.291 -3.201 7.265 1.00 0.00 H new ATOM 1493 N ILE A 92 4.924 -5.969 2.937 1.00 0.00 N ATOM 1494 CA ILE A 92 4.894 -6.632 1.639 1.00 0.00 C ATOM 1495 C ILE A 92 5.474 -5.734 0.551 1.00 0.00 C ATOM 1496 O ILE A 92 5.167 -4.544 0.486 1.00 0.00 O ATOM 1497 CB ILE A 92 3.461 -7.036 1.244 1.00 0.00 C ATOM 1498 CG1 ILE A 92 2.773 -7.761 2.403 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.481 -7.911 -0.001 1.00 0.00 C ATOM 1500 CD1 ILE A 92 1.362 -8.208 2.085 1.00 0.00 C ATOM 0 H ILE A 92 4.849 -4.953 2.893 1.00 0.00 H new ATOM 0 HA ILE A 92 5.503 -7.531 1.730 1.00 0.00 H new ATOM 0 HB ILE A 92 2.894 -6.133 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.367 -8.632 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.750 -7.102 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.461 -8.188 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.934 -7.361 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.062 -8.812 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.937 -8.714 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.752 -7.339 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.380 -8.893 1.237 1.00 0.00 H new ATOM 1512 N ASP A 93 6.313 -6.312 -0.302 1.00 0.00 N ATOM 1513 CA ASP A 93 6.936 -5.563 -1.388 1.00 0.00 C ATOM 1514 C ASP A 93 6.111 -5.668 -2.666 1.00 0.00 C ATOM 1515 O ASP A 93 5.491 -6.698 -2.934 1.00 0.00 O ATOM 1516 CB ASP A 93 8.356 -6.076 -1.638 1.00 0.00 C ATOM 1517 CG ASP A 93 8.378 -7.529 -2.070 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.238 -8.410 -1.196 1.00 0.00 O ATOM 1519 OD2 ASP A 93 8.537 -7.786 -3.281 1.00 0.00 O ATOM 0 H ASP A 93 6.577 -7.296 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 93 6.982 -4.514 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.830 -5.464 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.946 -5.961 -0.729 1.00 0.00 H new ATOM 1524 N LEU A 94 6.109 -4.597 -3.453 1.00 0.00 N ATOM 1525 CA LEU A 94 5.360 -4.568 -4.704 1.00 0.00 C ATOM 1526 C LEU A 94 6.298 -4.678 -5.904 1.00 0.00 C ATOM 1527 O LEU A 94 5.919 -5.193 -6.955 1.00 0.00 O ATOM 1528 CB LEU A 94 4.534 -3.284 -4.804 1.00 0.00 C ATOM 1529 CG LEU A 94 5.352 -1.993 -4.897 1.00 0.00 C ATOM 1530 CD1 LEU A 94 4.727 -1.035 -5.901 1.00 0.00 C ATOM 1531 CD2 LEU A 94 5.465 -1.334 -3.530 1.00 0.00 C ATOM 0 H LEU A 94 6.618 -3.737 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 94 4.686 -5.425 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.890 -3.352 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.882 -3.221 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 94 6.355 -2.246 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.322 -0.123 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.698 -1.506 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.713 -0.789 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.050 -0.418 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.469 -1.096 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.958 -2.016 -2.837 1.00 0.00 H new ATOM 1543 N GLY A 95 7.524 -4.190 -5.737 1.00 0.00 N ATOM 1544 CA GLY A 95 8.495 -4.243 -6.814 1.00 0.00 C ATOM 1545 C GLY A 95 9.833 -4.795 -6.362 1.00 0.00 C ATOM 1546 O GLY A 95 10.017 -6.010 -6.287 1.00 0.00 O ATOM 0 H GLY A 95 7.861 -3.760 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.104 -4.862 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.637 -3.242 -7.220 1.00 0.00 H new ATOM 1613 N LYS A 101 12.925 -2.835 3.133 1.00 0.00 N ATOM 1614 CA LYS A 101 11.916 -1.817 2.869 1.00 0.00 C ATOM 1615 C LYS A 101 11.878 -1.446 1.389 1.00 0.00 C ATOM 1616 O LYS A 101 12.906 -1.445 0.713 1.00 0.00 O ATOM 1617 CB LYS A 101 12.190 -0.570 3.712 1.00 0.00 C ATOM 1618 CG LYS A 101 10.935 0.061 4.292 1.00 0.00 C ATOM 1619 CD LYS A 101 11.127 1.546 4.554 1.00 0.00 C ATOM 1620 CE LYS A 101 12.183 1.790 5.621 1.00 0.00 C ATOM 1621 NZ LYS A 101 11.581 1.923 6.977 1.00 0.00 N ATOM 0 HA LYS A 101 10.945 -2.230 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.864 -0.834 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.706 0.167 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.103 -0.083 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.670 -0.442 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.419 2.045 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.181 1.987 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.897 0.967 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.740 2.696 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.333 2.088 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.918 2.724 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.071 1.049 7.218 1.00 0.00 H new ATOM 1635 N ILE A 102 10.685 -1.132 0.893 1.00 0.00 N ATOM 1636 CA ILE A 102 10.514 -0.759 -0.506 1.00 0.00 C ATOM 1637 C ILE A 102 10.668 0.746 -0.698 1.00 0.00 C ATOM 1638 O ILE A 102 9.695 1.454 -0.953 1.00 0.00 O ATOM 1639 CB ILE A 102 9.137 -1.197 -1.041 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.882 -2.667 -0.709 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.056 -0.963 -2.543 1.00 0.00 C ATOM 1642 CD1 ILE A 102 8.092 -2.871 0.566 1.00 0.00 C ATOM 0 H ILE A 102 9.823 -1.129 1.439 1.00 0.00 H new ATOM 0 HA ILE A 102 11.293 -1.275 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 102 8.366 -0.597 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.346 -3.130 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.838 -3.182 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.078 -1.277 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.199 0.097 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.833 -1.541 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.949 -3.938 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.637 -2.438 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.121 -2.385 0.474 1.00 0.00 H new ATOM 1654 N ASN A 103 11.901 1.225 -0.577 1.00 0.00 N ATOM 1655 CA ASN A 103 12.187 2.646 -0.742 1.00 0.00 C ATOM 1656 C ASN A 103 12.537 2.958 -2.192 1.00 0.00 C ATOM 1657 O ASN A 103 12.194 4.020 -2.711 1.00 0.00 O ATOM 1658 CB ASN A 103 13.335 3.067 0.177 1.00 0.00 C ATOM 1659 CG ASN A 103 14.604 2.279 -0.083 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.572 1.219 -0.709 1.00 0.00 O ATOM 1661 ND2 ASN A 103 15.729 2.793 0.398 1.00 0.00 N ATOM 0 H ASN A 103 12.718 0.652 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 103 11.294 3.209 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.536 4.129 0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.033 2.932 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.614 2.307 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.709 3.674 0.911 1.00 0.00 H new ATOM 1668 N TRP A 104 13.221 2.022 -2.841 1.00 0.00 N ATOM 1669 CA TRP A 104 13.616 2.188 -4.234 1.00 0.00 C ATOM 1670 C TRP A 104 12.753 1.319 -5.142 1.00 0.00 C ATOM 1671 O TRP A 104 13.204 0.293 -5.652 1.00 0.00 O ATOM 1672 CB TRP A 104 15.093 1.830 -4.414 1.00 0.00 C ATOM 1673 CG TRP A 104 16.016 2.987 -4.188 1.00 0.00 C ATOM 1674 CD1 TRP A 104 16.118 3.747 -3.058 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.969 3.519 -5.117 1.00 0.00 C ATOM 1676 NE1 TRP A 104 17.075 4.718 -3.228 1.00 0.00 N ATOM 1677 CE2 TRP A 104 17.612 4.598 -4.483 1.00 0.00 C ATOM 1678 CE3 TRP A 104 17.339 3.186 -6.423 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 18.604 5.347 -5.111 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 18.326 3.930 -7.045 1.00 0.00 C ATOM 1681 CH2 TRP A 104 18.948 4.999 -6.388 1.00 0.00 C ATOM 0 H TRP A 104 13.514 1.139 -2.423 1.00 0.00 H new ATOM 0 HA TRP A 104 13.470 3.232 -4.510 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.352 1.028 -3.723 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.246 1.444 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.532 3.605 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 104 17.342 5.415 -2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.864 2.364 -6.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 19.084 6.173 -4.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 18.622 3.682 -8.054 1.00 0.00 H new ATOM 0 HH2 TRP A 104 19.715 5.560 -6.900 1.00 0.00 H new ATOM 1692 N ALA A 105 11.505 1.736 -5.335 1.00 0.00 N ATOM 1693 CA ALA A 105 10.570 0.996 -6.176 1.00 0.00 C ATOM 1694 C ALA A 105 11.140 0.760 -7.571 1.00 0.00 C ATOM 1695 O ALA A 105 11.774 1.641 -8.152 1.00 0.00 O ATOM 1696 CB ALA A 105 9.245 1.738 -6.263 1.00 0.00 C ATOM 0 H ALA A 105 11.118 2.583 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 105 10.404 0.021 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.555 1.177 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.821 1.844 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.409 2.726 -6.694 1.00 0.00 H new ATOM 1702 N MET A 106 10.909 -0.437 -8.099 1.00 0.00 N ATOM 1703 CA MET A 106 11.395 -0.799 -9.425 1.00 0.00 C ATOM 1704 C MET A 106 10.820 -2.142 -9.862 1.00 0.00 C ATOM 1705 O MET A 106 10.343 -2.921 -9.036 1.00 0.00 O ATOM 1706 CB MET A 106 12.924 -0.857 -9.433 1.00 0.00 C ATOM 1707 CG MET A 106 13.544 -0.382 -10.737 1.00 0.00 C ATOM 1708 SD MET A 106 13.970 -1.745 -11.839 1.00 0.00 S ATOM 1709 CE MET A 106 13.803 -0.953 -13.436 1.00 0.00 C ATOM 0 H MET A 106 10.387 -1.175 -7.627 1.00 0.00 H new ATOM 0 HA MET A 106 11.066 -0.035 -10.129 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.307 -0.247 -8.615 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.241 -1.882 -9.242 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.848 0.286 -11.244 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.441 0.198 -10.519 1.00 0.00 H new ATOM 0 HE1 MET A 106 14.035 -1.670 -14.224 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.781 -0.596 -13.560 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.492 -0.111 -13.498 1.00 0.00 H new ATOM 1719 N GLU A 107 10.867 -2.410 -11.165 1.00 0.00 N ATOM 1720 CA GLU A 107 10.347 -3.662 -11.710 1.00 0.00 C ATOM 1721 C GLU A 107 8.820 -3.707 -11.644 1.00 0.00 C ATOM 1722 O GLU A 107 8.211 -4.748 -11.890 1.00 0.00 O ATOM 1723 CB GLU A 107 10.926 -4.853 -10.948 1.00 0.00 C ATOM 1724 CG GLU A 107 11.069 -6.108 -11.792 1.00 0.00 C ATOM 1725 CD GLU A 107 12.274 -6.059 -12.711 1.00 0.00 C ATOM 1726 OE1 GLU A 107 13.350 -5.622 -12.254 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.140 -6.458 -13.887 1.00 0.00 O ATOM 0 H GLU A 107 11.259 -1.778 -11.863 1.00 0.00 H new ATOM 0 HA GLU A 107 10.649 -3.717 -12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.904 -4.579 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.286 -5.072 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.152 -6.975 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.167 -6.245 -12.389 1.00 0.00 H new ATOM 1734 N ASP A 108 8.210 -2.575 -11.307 1.00 0.00 N ATOM 1735 CA ASP A 108 6.756 -2.486 -11.204 1.00 0.00 C ATOM 1736 C ASP A 108 6.081 -3.024 -12.463 1.00 0.00 C ATOM 1737 O ASP A 108 6.704 -3.123 -13.519 1.00 0.00 O ATOM 1738 CB ASP A 108 6.331 -1.037 -10.964 1.00 0.00 C ATOM 1739 CG ASP A 108 6.759 -0.527 -9.603 1.00 0.00 C ATOM 1740 OD1 ASP A 108 6.985 -1.360 -8.700 1.00 0.00 O ATOM 1741 OD2 ASP A 108 6.866 0.706 -9.438 1.00 0.00 O ATOM 0 H ASP A 108 8.700 -1.705 -11.100 1.00 0.00 H new ATOM 0 HA ASP A 108 6.441 -3.098 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.761 -0.402 -11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.247 -0.959 -11.054 1.00 0.00 H new ATOM 1746 N LYS A 109 4.801 -3.381 -12.329 1.00 0.00 N ATOM 1747 CA LYS A 109 4.010 -3.924 -13.436 1.00 0.00 C ATOM 1748 C LYS A 109 4.166 -5.438 -13.511 1.00 0.00 C ATOM 1749 O LYS A 109 3.189 -6.167 -13.680 1.00 0.00 O ATOM 1750 CB LYS A 109 4.408 -3.288 -14.774 1.00 0.00 C ATOM 1751 CG LYS A 109 3.233 -3.048 -15.707 1.00 0.00 C ATOM 1752 CD LYS A 109 3.645 -3.174 -17.165 1.00 0.00 C ATOM 1753 CE LYS A 109 3.396 -4.576 -17.696 1.00 0.00 C ATOM 1754 NZ LYS A 109 2.102 -4.672 -18.426 1.00 0.00 N ATOM 0 H LYS A 109 4.285 -3.302 -11.453 1.00 0.00 H new ATOM 0 HA LYS A 109 2.965 -3.683 -13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.908 -2.339 -14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.131 -3.933 -15.273 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.441 -3.764 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.822 -2.054 -15.528 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.089 -2.453 -17.765 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.702 -2.927 -17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.210 -4.862 -18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.398 -5.284 -16.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.970 -5.644 -18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.322 -4.424 -17.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.109 -4.015 -19.232 1.00 0.00 H new ATOM 1768 N GLN A 110 5.401 -5.904 -13.376 1.00 0.00 N ATOM 1769 CA GLN A 110 5.694 -7.328 -13.418 1.00 0.00 C ATOM 1770 C GLN A 110 5.623 -7.933 -12.020 1.00 0.00 C ATOM 1771 O GLN A 110 4.773 -8.779 -11.739 1.00 0.00 O ATOM 1772 CB GLN A 110 7.080 -7.554 -14.020 1.00 0.00 C ATOM 1773 CG GLN A 110 7.051 -8.233 -15.380 1.00 0.00 C ATOM 1774 CD GLN A 110 8.403 -8.787 -15.784 1.00 0.00 C ATOM 1775 OE1 GLN A 110 8.995 -8.352 -16.772 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.899 -9.753 -15.020 1.00 0.00 N ATOM 0 H GLN A 110 6.219 -5.311 -13.236 1.00 0.00 H new ATOM 0 HA GLN A 110 4.948 -7.820 -14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.587 -6.594 -14.114 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.670 -8.160 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.321 -9.043 -15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 110 6.716 -7.518 -16.132 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.374 -10.083 -14.210 1.00 0.00 H new ATOM 0 HE22 GLN A 110 9.805 -10.165 -15.243 1.00 0.00 H new ATOM 1785 N GLU A 111 6.523 -7.491 -11.146 1.00 0.00 N ATOM 1786 CA GLU A 111 6.566 -7.984 -9.776 1.00 0.00 C ATOM 1787 C GLU A 111 5.289 -7.615 -9.028 1.00 0.00 C ATOM 1788 O GLU A 111 4.819 -8.365 -8.173 1.00 0.00 O ATOM 1789 CB GLU A 111 7.784 -7.415 -9.044 1.00 0.00 C ATOM 1790 CG GLU A 111 8.444 -8.408 -8.101 1.00 0.00 C ATOM 1791 CD GLU A 111 9.955 -8.290 -8.097 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.469 -7.228 -8.508 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.626 -9.259 -7.683 1.00 0.00 O ATOM 0 H GLU A 111 7.232 -6.791 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 111 6.647 -9.071 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.517 -7.082 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.479 -6.535 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.068 -8.249 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.163 -9.421 -8.390 1.00 0.00 H new ATOM 1800 N MET A 112 4.731 -6.454 -9.358 1.00 0.00 N ATOM 1801 CA MET A 112 3.507 -5.987 -8.718 1.00 0.00 C ATOM 1802 C MET A 112 2.364 -6.968 -8.957 1.00 0.00 C ATOM 1803 O MET A 112 1.693 -7.395 -8.018 1.00 0.00 O ATOM 1804 CB MET A 112 3.125 -4.603 -9.247 1.00 0.00 C ATOM 1805 CG MET A 112 3.854 -3.464 -8.552 1.00 0.00 C ATOM 1806 SD MET A 112 2.777 -2.063 -8.193 1.00 0.00 S ATOM 1807 CE MET A 112 1.878 -1.921 -9.736 1.00 0.00 C ATOM 0 H MET A 112 5.107 -5.821 -10.064 1.00 0.00 H new ATOM 0 HA MET A 112 3.689 -5.920 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.336 -4.560 -10.315 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.051 -4.462 -9.129 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.289 -3.830 -7.622 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.680 -3.130 -9.180 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.614 -0.878 -9.909 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.502 -2.278 -10.555 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.969 -2.521 -9.684 1.00 0.00 H new ATOM 1817 N VAL A 113 2.152 -7.325 -10.221 1.00 0.00 N ATOM 1818 CA VAL A 113 1.093 -8.258 -10.584 1.00 0.00 C ATOM 1819 C VAL A 113 1.249 -9.579 -9.835 1.00 0.00 C ATOM 1820 O VAL A 113 0.268 -10.157 -9.365 1.00 0.00 O ATOM 1821 CB VAL A 113 1.084 -8.528 -12.104 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.049 -9.585 -12.464 1.00 0.00 C ATOM 1823 CG2 VAL A 113 0.822 -7.240 -12.867 1.00 0.00 C ATOM 0 H VAL A 113 2.700 -6.982 -11.010 1.00 0.00 H new ATOM 0 HA VAL A 113 0.146 -7.798 -10.302 1.00 0.00 H new ATOM 0 HB VAL A 113 2.065 -8.908 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.063 -9.756 -13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.283 -10.515 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.941 -9.242 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.818 -7.446 -13.937 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.145 -6.833 -12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.605 -6.516 -12.639 1.00 0.00 H new ATOM 1833 N ASP A 114 2.487 -10.048 -9.723 1.00 0.00 N ATOM 1834 CA ASP A 114 2.770 -11.298 -9.027 1.00 0.00 C ATOM 1835 C ASP A 114 2.653 -11.118 -7.517 1.00 0.00 C ATOM 1836 O ASP A 114 2.336 -12.061 -6.791 1.00 0.00 O ATOM 1837 CB ASP A 114 4.169 -11.802 -9.387 1.00 0.00 C ATOM 1838 CG ASP A 114 4.188 -12.579 -10.688 1.00 0.00 C ATOM 1839 OD1 ASP A 114 3.931 -11.968 -11.747 1.00 0.00 O ATOM 1840 OD2 ASP A 114 4.462 -13.797 -10.649 1.00 0.00 O ATOM 0 H ASP A 114 3.310 -9.582 -10.105 1.00 0.00 H new ATOM 0 HA ASP A 114 2.034 -12.037 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.849 -10.953 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.541 -12.437 -8.583 1.00 0.00 H new ATOM 1845 N ILE A 115 2.904 -9.899 -7.051 1.00 0.00 N ATOM 1846 CA ILE A 115 2.821 -9.593 -5.630 1.00 0.00 C ATOM 1847 C ILE A 115 1.370 -9.554 -5.175 1.00 0.00 C ATOM 1848 O ILE A 115 0.959 -10.313 -4.298 1.00 0.00 O ATOM 1849 CB ILE A 115 3.495 -8.238 -5.308 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.008 -8.418 -5.171 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.914 -7.619 -4.038 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.410 -9.278 -3.992 1.00 0.00 C ATOM 0 H ILE A 115 3.167 -9.107 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 115 3.348 -10.383 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 115 3.294 -7.556 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.397 -8.865 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.475 -7.438 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.408 -6.668 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.845 -7.452 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.074 -8.295 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.496 -9.362 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.051 -8.821 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.972 -10.270 -4.100 1.00 0.00 H new ATOM 1864 N ILE A 116 0.604 -8.652 -5.775 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.801 -8.496 -5.430 1.00 0.00 C ATOM 1866 C ILE A 116 -1.538 -9.831 -5.505 1.00 0.00 C ATOM 1867 O ILE A 116 -2.492 -10.067 -4.765 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.502 -7.481 -6.354 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.707 -6.173 -6.410 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.926 -7.224 -5.880 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.441 -5.687 -7.819 1.00 0.00 C ATOM 0 H ILE A 116 0.933 -8.018 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.833 -8.123 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.546 -7.900 -7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.252 -5.402 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.244 -6.313 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.406 -6.505 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.487 -8.158 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.905 -6.824 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.126 -4.757 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.131 -6.440 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.389 -5.514 -8.329 1.00 0.00 H new ATOM 1883 N GLU A 117 -1.085 -10.699 -6.404 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.698 -12.011 -6.573 1.00 0.00 C ATOM 1885 C GLU A 117 -1.465 -12.879 -5.342 1.00 0.00 C ATOM 1886 O GLU A 117 -2.391 -13.502 -4.823 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.133 -12.703 -7.816 1.00 0.00 C ATOM 1888 CG GLU A 117 -2.134 -13.612 -8.513 1.00 0.00 C ATOM 1889 CD GLU A 117 -2.774 -12.954 -9.719 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -3.616 -12.052 -9.526 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -2.434 -13.341 -10.857 1.00 0.00 O ATOM 0 H GLU A 117 -0.297 -10.518 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.772 -11.872 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.791 -11.945 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.260 -13.289 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.632 -14.527 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.911 -13.901 -7.806 1.00 0.00 H new ATOM 1898 N THR A 118 -0.219 -12.912 -4.877 1.00 0.00 N ATOM 1899 CA THR A 118 0.135 -13.702 -3.703 1.00 0.00 C ATOM 1900 C THR A 118 -0.407 -13.058 -2.430 1.00 0.00 C ATOM 1901 O THR A 118 -0.678 -13.743 -1.444 1.00 0.00 O ATOM 1902 CB THR A 118 1.654 -13.854 -3.605 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.187 -14.356 -4.817 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.092 -14.781 -2.492 1.00 0.00 C ATOM 0 H THR A 118 0.560 -12.402 -5.294 1.00 0.00 H new ATOM 0 HA THR A 118 -0.316 -14.689 -3.810 1.00 0.00 H new ATOM 0 HB THR A 118 2.031 -12.854 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.244 -13.631 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.180 -14.844 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.739 -14.394 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.673 -15.773 -2.659 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.561 -11.737 -2.459 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.070 -11.002 -1.308 1.00 0.00 C ATOM 1914 C VAL A 119 -2.544 -11.308 -1.064 1.00 0.00 C ATOM 1915 O VAL A 119 -2.968 -11.499 0.076 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.894 -9.482 -1.490 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.323 -8.737 -0.234 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.547 -9.148 -1.849 1.00 0.00 C ATOM 0 H VAL A 119 -0.340 -11.155 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.489 -11.327 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.534 -9.160 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.191 -7.665 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.372 -8.948 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.714 -9.064 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.651 -8.070 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.208 -9.487 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.815 -9.648 -2.780 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.323 -11.353 -2.141 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.751 -11.635 -2.037 1.00 0.00 C ATOM 1930 C TYR A 120 -4.988 -13.076 -1.592 1.00 0.00 C ATOM 1931 O TYR A 120 -5.922 -13.360 -0.843 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.448 -11.351 -3.378 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.824 -12.588 -4.171 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.936 -13.346 -3.830 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -5.065 -12.993 -5.261 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.281 -14.474 -4.552 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -5.402 -14.118 -5.989 1.00 0.00 C ATOM 1938 CZ TYR A 120 -6.511 -14.855 -5.630 1.00 0.00 C ATOM 1939 OH TYR A 120 -6.851 -15.976 -6.351 1.00 0.00 O ATOM 0 H TYR A 120 -2.991 -11.198 -3.093 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.180 -10.978 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -6.350 -10.770 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.792 -10.730 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.542 -13.050 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.196 -12.418 -5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.149 -15.053 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.800 -14.418 -6.834 1.00 0.00 H new ATOM 0 HH TYR A 120 -6.207 -16.105 -7.078 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.135 -13.980 -2.060 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.249 -15.391 -1.710 1.00 0.00 C ATOM 1951 C ARG A 121 -3.722 -15.647 -0.302 1.00 0.00 C ATOM 1952 O ARG A 121 -4.220 -16.521 0.407 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.485 -16.251 -2.721 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.371 -16.856 -3.798 1.00 0.00 C ATOM 1955 CD ARG A 121 -4.752 -18.291 -3.470 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.528 -19.189 -4.600 1.00 0.00 N ATOM 1957 CZ ARG A 121 -5.358 -19.298 -5.636 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -6.464 -18.567 -5.688 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -5.079 -20.139 -6.622 1.00 0.00 N ATOM 0 H ARG A 121 -3.357 -13.761 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.304 -15.663 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.715 -15.642 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.974 -17.054 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.274 -16.255 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.852 -16.827 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.171 -18.634 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.802 -18.330 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.687 -19.766 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.682 -17.918 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.096 -18.654 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.229 -20.702 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.714 -20.223 -7.416 1.00 0.00 H new ATOM 1973 N GLY A 122 -2.713 -14.880 0.094 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.135 -15.040 1.416 1.00 0.00 C ATOM 1975 C GLY A 122 -2.899 -14.274 2.479 1.00 0.00 C ATOM 1976 O GLY A 122 -3.128 -14.783 3.576 1.00 0.00 O ATOM 0 H GLY A 122 -2.285 -14.151 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.118 -16.098 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.100 -14.699 1.400 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.296 -13.048 2.152 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.038 -12.211 3.087 1.00 0.00 C ATOM 1982 C ALA A 123 -5.542 -12.423 2.938 1.00 0.00 C ATOM 1983 O ALA A 123 -6.303 -11.468 2.784 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.685 -10.746 2.875 1.00 0.00 C ATOM 0 H ALA A 123 -3.116 -12.613 1.247 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.756 -12.499 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.246 -10.131 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.617 -10.602 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.939 -10.454 1.856 1.00 0.00 H new ATOM 1990 N ARG A 124 -5.963 -13.684 2.987 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.376 -14.022 2.858 1.00 0.00 C ATOM 1992 C ARG A 124 -8.032 -14.147 4.229 1.00 0.00 C ATOM 1993 O ARG A 124 -7.350 -14.286 5.244 1.00 0.00 O ATOM 1994 CB ARG A 124 -7.540 -15.329 2.080 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.720 -15.129 0.584 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.702 -16.133 0.002 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.413 -16.432 -1.399 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.274 -17.025 -2.222 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -10.477 -17.383 -1.792 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -8.932 -17.260 -3.482 1.00 0.00 N ATOM 0 H ARG A 124 -5.347 -14.487 3.115 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.868 -13.218 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -6.665 -15.956 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.402 -15.870 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.076 -14.117 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.757 -15.229 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.667 -17.054 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.715 -15.741 0.087 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.498 -16.171 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.747 -17.204 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.132 -17.837 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.009 -16.986 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.592 -17.715 -4.113 1.00 0.00 H new