USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1025 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 98 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Set 1.2: A 99 ASN : amide:sc= 0 X(o=-0.19,f=0) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 7 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.2) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.33) USER MOD Single : A 10 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Single : A 13 GLN : amide:sc= -3.99 K(o=-4,f=-9.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.62) USER MOD Single : A 37 THR OG1 : rot 167:sc=-0.00443 USER MOD Single : A 38 CYS SG : rot 100:sc= -3.84 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 176:sc= -10.2! (180deg=-10.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0555) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.464 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 70:sc= -1.63 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 178:sc= -2.52! (180deg=-2.54!) USER MOD Single : A 87 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.033) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.061) USER MOD Single : A 89 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-1.9) USER MOD Single : A 91 MET CE :methyl -154:sc= -0.0688 (180deg=-0.342) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.51 K(o=-3.5,f=-15!) 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= -0.0188 K(o=-0.019,f=-0.85) USER MOD Single : A 112 MET CE :methyl 166:sc= -4.41! (180deg=-5.4!) USER MOD Single : A 118 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -9.409 11.553 -6.612 1.00 0.00 N ATOM 2 CA SER A 2 -9.965 12.666 -7.424 1.00 0.00 C ATOM 3 C SER A 2 -10.107 12.263 -8.888 1.00 0.00 C ATOM 4 O SER A 2 -11.215 12.202 -9.421 1.00 0.00 O ATOM 5 CB SER A 2 -9.035 13.874 -7.297 1.00 0.00 C ATOM 6 OG SER A 2 -9.460 14.739 -6.258 1.00 0.00 O ATOM 0 HA SER A 2 -10.959 12.916 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.018 13.535 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.011 14.419 -8.241 1.00 0.00 H new ATOM 0 HG SER A 2 -8.848 15.502 -6.197 1.00 0.00 H new ATOM 14 N TYR A 3 -8.978 11.989 -9.534 1.00 0.00 N ATOM 15 CA TYR A 3 -8.977 11.592 -10.937 1.00 0.00 C ATOM 16 C TYR A 3 -9.160 10.084 -11.075 1.00 0.00 C ATOM 17 O TYR A 3 -10.200 9.614 -11.536 1.00 0.00 O ATOM 18 CB TYR A 3 -7.672 12.024 -11.610 1.00 0.00 C ATOM 19 CG TYR A 3 -7.751 13.384 -12.266 1.00 0.00 C ATOM 20 CD1 TYR A 3 -8.843 13.736 -13.049 1.00 0.00 C ATOM 21 CD2 TYR A 3 -6.733 14.315 -12.103 1.00 0.00 C ATOM 22 CE1 TYR A 3 -8.918 14.977 -13.652 1.00 0.00 C ATOM 23 CE2 TYR A 3 -6.801 15.559 -12.701 1.00 0.00 C ATOM 24 CZ TYR A 3 -7.895 15.885 -13.474 1.00 0.00 C ATOM 25 OH TYR A 3 -7.967 17.122 -14.072 1.00 0.00 O ATOM 0 H TYR A 3 -8.052 12.035 -9.108 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.813 12.088 -11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.875 12.034 -10.866 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.397 11.283 -12.361 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.647 13.028 -13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.874 14.062 -11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.773 15.235 -14.259 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.001 16.272 -12.564 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.167 17.642 -13.846 1.00 0.00 H new ATOM 35 N MET A 4 -8.141 9.330 -10.674 1.00 0.00 N ATOM 36 CA MET A 4 -8.190 7.874 -10.753 1.00 0.00 C ATOM 37 C MET A 4 -7.473 7.238 -9.565 1.00 0.00 C ATOM 38 O MET A 4 -8.107 6.661 -8.682 1.00 0.00 O ATOM 39 CB MET A 4 -7.568 7.382 -12.064 1.00 0.00 C ATOM 40 CG MET A 4 -6.458 8.277 -12.599 1.00 0.00 C ATOM 41 SD MET A 4 -6.974 9.244 -14.032 1.00 0.00 S ATOM 42 CE MET A 4 -5.448 9.304 -14.967 1.00 0.00 C ATOM 0 H MET A 4 -7.272 9.703 -10.291 1.00 0.00 H new ATOM 0 HA MET A 4 -9.238 7.574 -10.726 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.170 6.379 -11.911 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.351 7.302 -12.818 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.129 8.952 -11.809 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.600 7.662 -12.871 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.606 9.870 -15.885 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.675 9.788 -14.370 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.134 8.290 -15.216 1.00 0.00 H new ATOM 52 N LEU A 5 -6.146 7.346 -9.549 1.00 0.00 N ATOM 53 CA LEU A 5 -5.341 6.781 -8.475 1.00 0.00 C ATOM 54 C LEU A 5 -5.878 7.193 -7.103 1.00 0.00 C ATOM 55 O LEU A 5 -5.709 8.337 -6.682 1.00 0.00 O ATOM 56 CB LEU A 5 -3.885 7.229 -8.616 1.00 0.00 C ATOM 57 CG LEU A 5 -3.047 6.407 -9.596 1.00 0.00 C ATOM 58 CD1 LEU A 5 -1.993 7.279 -10.261 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.395 5.231 -8.882 1.00 0.00 C ATOM 0 H LEU A 5 -5.606 7.822 -10.272 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.396 5.695 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.871 8.271 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.412 7.189 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.707 6.017 -10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.407 6.676 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.481 8.088 -10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.335 7.699 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.802 4.656 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.748 5.601 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.167 4.592 -8.454 1.00 0.00 H new ATOM 71 N PRO A 6 -6.536 6.264 -6.385 1.00 0.00 N ATOM 72 CA PRO A 6 -7.094 6.545 -5.058 1.00 0.00 C ATOM 73 C PRO A 6 -6.046 7.089 -4.093 1.00 0.00 C ATOM 74 O PRO A 6 -5.072 6.409 -3.771 1.00 0.00 O ATOM 75 CB PRO A 6 -7.600 5.180 -4.582 1.00 0.00 C ATOM 76 CG PRO A 6 -7.828 4.401 -5.830 1.00 0.00 C ATOM 77 CD PRO A 6 -6.785 4.873 -6.805 1.00 0.00 C ATOM 0 HA PRO A 6 -7.870 7.309 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.869 4.690 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.519 5.279 -4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.735 3.331 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.832 4.571 -6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.880 4.268 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.142 4.821 -7.833 1.00 0.00 H new ATOM 85 N HIS A 7 -6.253 8.319 -3.633 1.00 0.00 N ATOM 86 CA HIS A 7 -5.326 8.954 -2.704 1.00 0.00 C ATOM 87 C HIS A 7 -5.950 9.090 -1.319 1.00 0.00 C ATOM 88 O HIS A 7 -7.103 8.713 -1.107 1.00 0.00 O ATOM 89 CB HIS A 7 -4.911 10.330 -3.227 1.00 0.00 C ATOM 90 CG HIS A 7 -6.070 11.221 -3.551 1.00 0.00 C ATOM 91 ND1 HIS A 7 -7.022 11.588 -2.622 1.00 0.00 N ATOM 92 CD2 HIS A 7 -6.427 11.822 -4.711 1.00 0.00 C ATOM 93 CE1 HIS A 7 -7.915 12.374 -3.197 1.00 0.00 C ATOM 94 NE2 HIS A 7 -7.577 12.532 -4.464 1.00 0.00 N ATOM 0 H HIS A 7 -7.055 8.895 -3.889 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.442 8.322 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.284 10.819 -2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.301 10.201 -4.121 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -7.034 11.298 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.905 11.756 -5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.775 12.813 -2.713 1.00 0.00 H new ATOM 103 N LEU A 8 -5.181 9.633 -0.380 1.00 0.00 N ATOM 104 CA LEU A 8 -5.659 9.819 0.985 1.00 0.00 C ATOM 105 C LEU A 8 -5.395 11.244 1.461 1.00 0.00 C ATOM 106 O LEU A 8 -4.592 11.968 0.873 1.00 0.00 O ATOM 107 CB LEU A 8 -4.983 8.820 1.926 1.00 0.00 C ATOM 108 CG LEU A 8 -5.110 7.353 1.509 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.017 6.517 2.157 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.486 6.815 1.870 1.00 0.00 C ATOM 0 H LEU A 8 -4.225 9.951 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.735 9.644 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.925 9.071 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.408 8.937 2.923 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.991 7.289 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.124 5.477 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.041 6.890 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.102 6.585 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.559 5.771 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.635 6.891 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.251 7.397 1.355 1.00 0.00 H new ATOM 122 N HIS A 9 -6.078 11.642 2.531 1.00 0.00 N ATOM 123 CA HIS A 9 -5.916 12.982 3.084 1.00 0.00 C ATOM 124 C HIS A 9 -5.312 12.927 4.484 1.00 0.00 C ATOM 125 O HIS A 9 -4.171 13.340 4.694 1.00 0.00 O ATOM 126 CB HIS A 9 -7.265 13.704 3.127 1.00 0.00 C ATOM 127 CG HIS A 9 -7.175 15.160 2.788 1.00 0.00 C ATOM 128 ND1 HIS A 9 -6.472 15.638 1.702 1.00 0.00 N ATOM 129 CD2 HIS A 9 -7.705 16.246 3.400 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.573 16.955 1.660 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.316 17.348 2.678 1.00 0.00 N ATOM 0 H HIS A 9 -6.747 11.057 3.031 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.234 13.534 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.950 13.219 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.694 13.597 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.318 16.246 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.124 17.600 0.919 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -7.562 18.314 2.894 1.00 0.00 H new ATOM 140 N ASN A 10 -6.083 12.416 5.438 1.00 0.00 N ATOM 141 CA ASN A 10 -5.621 12.309 6.817 1.00 0.00 C ATOM 142 C ASN A 10 -5.783 10.885 7.338 1.00 0.00 C ATOM 143 O ASN A 10 -6.526 10.086 6.769 1.00 0.00 O ATOM 144 CB ASN A 10 -6.392 13.282 7.712 1.00 0.00 C ATOM 145 CG ASN A 10 -5.818 13.359 9.113 1.00 0.00 C ATOM 146 OD1 ASN A 10 -6.203 12.593 9.996 1.00 0.00 O ATOM 147 ND2 ASN A 10 -4.891 14.286 9.323 1.00 0.00 N ATOM 0 H ASN A 10 -7.030 12.070 5.282 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.562 12.566 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.378 14.274 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.435 12.972 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.468 14.384 10.246 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.602 14.900 8.561 1.00 0.00 H new ATOM 154 N GLY A 11 -5.082 10.573 8.424 1.00 0.00 N ATOM 155 CA GLY A 11 -5.163 9.245 9.004 1.00 0.00 C ATOM 156 C GLY A 11 -6.586 8.839 9.337 1.00 0.00 C ATOM 157 O GLY A 11 -6.899 7.651 9.408 1.00 0.00 O ATOM 0 H GLY A 11 -4.459 11.216 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.736 8.522 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.558 9.211 9.910 1.00 0.00 H new ATOM 161 N TRP A 12 -7.451 9.828 9.541 1.00 0.00 N ATOM 162 CA TRP A 12 -8.848 9.567 9.867 1.00 0.00 C ATOM 163 C TRP A 12 -9.556 8.869 8.711 1.00 0.00 C ATOM 164 O TRP A 12 -10.187 7.828 8.894 1.00 0.00 O ATOM 165 CB TRP A 12 -9.566 10.874 10.205 1.00 0.00 C ATOM 166 CG TRP A 12 -9.527 11.213 11.665 1.00 0.00 C ATOM 167 CD1 TRP A 12 -8.434 11.189 12.482 1.00 0.00 C ATOM 168 CD2 TRP A 12 -10.629 11.627 12.479 1.00 0.00 C ATOM 169 NE1 TRP A 12 -8.789 11.562 13.756 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.132 11.837 13.779 1.00 0.00 C ATOM 171 CE3 TRP A 12 -11.989 11.842 12.235 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -10.947 12.250 14.830 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -12.796 12.252 13.280 1.00 0.00 C ATOM 174 CH2 TRP A 12 -12.273 12.452 14.564 1.00 0.00 C ATOM 0 H TRP A 12 -7.209 10.817 9.486 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.876 8.909 10.736 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.112 11.687 9.638 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -10.605 10.803 9.883 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.436 10.917 12.172 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.157 11.624 14.554 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.401 11.691 11.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -10.546 12.405 15.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.848 12.421 13.103 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -12.930 12.772 15.359 1.00 0.00 H new ATOM 185 N GLN A 13 -9.447 9.447 7.518 1.00 0.00 N ATOM 186 CA GLN A 13 -10.078 8.877 6.334 1.00 0.00 C ATOM 187 C GLN A 13 -9.378 7.589 5.913 1.00 0.00 C ATOM 188 O GLN A 13 -10.007 6.671 5.387 1.00 0.00 O ATOM 189 CB GLN A 13 -10.068 9.892 5.186 1.00 0.00 C ATOM 190 CG GLN A 13 -8.714 10.057 4.511 1.00 0.00 C ATOM 191 CD GLN A 13 -8.659 9.396 3.147 1.00 0.00 C ATOM 192 OE1 GLN A 13 -8.554 8.175 3.040 1.00 0.00 O ATOM 193 NE2 GLN A 13 -8.731 10.204 2.095 1.00 0.00 N ATOM 0 H GLN A 13 -8.928 10.308 7.347 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.112 8.636 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.799 9.585 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.391 10.860 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.492 11.119 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.940 9.631 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.818 11.211 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.700 9.817 1.152 1.00 0.00 H new ATOM 202 N VAL A 14 -8.072 7.530 6.149 1.00 0.00 N ATOM 203 CA VAL A 14 -7.282 6.357 5.799 1.00 0.00 C ATOM 204 C VAL A 14 -7.695 5.151 6.636 1.00 0.00 C ATOM 205 O VAL A 14 -7.925 4.064 6.108 1.00 0.00 O ATOM 206 CB VAL A 14 -5.775 6.613 5.995 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.960 5.438 5.476 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.358 7.905 5.308 1.00 0.00 C ATOM 0 H VAL A 14 -7.538 8.283 6.582 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.471 6.150 4.746 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.580 6.717 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.899 5.638 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.238 4.534 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.159 5.298 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.291 8.069 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.568 7.834 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.916 8.739 5.733 1.00 0.00 H new ATOM 218 N ASP A 15 -7.789 5.354 7.947 1.00 0.00 N ATOM 219 CA ASP A 15 -8.176 4.285 8.860 1.00 0.00 C ATOM 220 C ASP A 15 -9.571 3.766 8.529 1.00 0.00 C ATOM 221 O ASP A 15 -9.871 2.590 8.729 1.00 0.00 O ATOM 222 CB ASP A 15 -8.134 4.780 10.306 1.00 0.00 C ATOM 223 CG ASP A 15 -8.038 3.644 11.305 1.00 0.00 C ATOM 224 OD1 ASP A 15 -9.096 3.129 11.722 1.00 0.00 O ATOM 225 OD2 ASP A 15 -6.904 3.267 11.669 1.00 0.00 O ATOM 0 H ASP A 15 -7.602 6.249 8.400 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.466 3.467 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.280 5.446 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.029 5.366 10.512 1.00 0.00 H new ATOM 230 N GLN A 16 -10.420 4.653 8.019 1.00 0.00 N ATOM 231 CA GLN A 16 -11.785 4.285 7.658 1.00 0.00 C ATOM 232 C GLN A 16 -11.793 3.343 6.459 1.00 0.00 C ATOM 233 O GLN A 16 -12.673 2.492 6.330 1.00 0.00 O ATOM 234 CB GLN A 16 -12.607 5.536 7.345 1.00 0.00 C ATOM 235 CG GLN A 16 -13.241 6.170 8.573 1.00 0.00 C ATOM 236 CD GLN A 16 -14.451 7.018 8.232 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.359 7.964 7.449 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.594 6.683 8.820 1.00 0.00 N ATOM 0 H GLN A 16 -10.187 5.631 7.846 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.233 3.769 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.965 6.270 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.392 5.277 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.536 5.386 9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.501 6.788 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.624 5.891 9.462 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.441 7.218 8.629 1.00 0.00 H new ATOM 247 N ALA A 17 -10.807 3.502 5.581 1.00 0.00 N ATOM 248 CA ALA A 17 -10.700 2.666 4.391 1.00 0.00 C ATOM 249 C ALA A 17 -10.317 1.237 4.759 1.00 0.00 C ATOM 250 O ALA A 17 -10.956 0.280 4.318 1.00 0.00 O ATOM 251 CB ALA A 17 -9.685 3.254 3.423 1.00 0.00 C ATOM 0 H ALA A 17 -10.071 4.202 5.672 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.675 2.640 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.615 2.620 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.001 4.254 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.710 3.310 3.907 1.00 0.00 H new ATOM 257 N ILE A 18 -9.271 1.098 5.567 1.00 0.00 N ATOM 258 CA ILE A 18 -8.804 -0.216 5.993 1.00 0.00 C ATOM 259 C ILE A 18 -9.899 -0.975 6.735 1.00 0.00 C ATOM 260 O ILE A 18 -9.950 -2.205 6.700 1.00 0.00 O ATOM 261 CB ILE A 18 -7.561 -0.103 6.899 1.00 0.00 C ATOM 262 CG1 ILE A 18 -7.035 -1.493 7.265 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.887 0.693 8.154 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.766 -1.462 8.088 1.00 0.00 C ATOM 0 H ILE A 18 -8.731 1.879 5.940 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.536 -0.766 5.091 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.781 0.425 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.805 -2.029 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.851 -2.056 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.999 0.763 8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.214 1.695 7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.683 0.193 8.706 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.451 -2.482 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.981 -0.954 7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.950 -0.928 9.020 1.00 0.00 H new ATOM 276 N LEU A 19 -10.776 -0.235 7.405 1.00 0.00 N ATOM 277 CA LEU A 19 -11.871 -0.839 8.155 1.00 0.00 C ATOM 278 C LEU A 19 -13.081 -1.078 7.256 1.00 0.00 C ATOM 279 O LEU A 19 -13.860 -2.005 7.480 1.00 0.00 O ATOM 280 CB LEU A 19 -12.265 0.055 9.332 1.00 0.00 C ATOM 281 CG LEU A 19 -12.948 -0.667 10.494 1.00 0.00 C ATOM 282 CD1 LEU A 19 -12.600 0.000 11.816 1.00 0.00 C ATOM 283 CD2 LEU A 19 -14.456 -0.697 10.289 1.00 0.00 C ATOM 0 H LEU A 19 -10.750 0.784 7.444 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.529 -1.801 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.370 0.550 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.932 0.836 8.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.585 -1.694 10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.095 -0.528 12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.521 -0.031 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.934 1.037 11.799 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.927 -1.214 11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.836 0.323 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.687 -1.221 9.362 1.00 0.00 H new ATOM 295 N SER A 20 -13.234 -0.235 6.240 1.00 0.00 N ATOM 296 CA SER A 20 -14.349 -0.355 5.307 1.00 0.00 C ATOM 297 C SER A 20 -14.339 -1.716 4.617 1.00 0.00 C ATOM 298 O SER A 20 -15.392 -2.307 4.376 1.00 0.00 O ATOM 299 CB SER A 20 -14.289 0.760 4.262 1.00 0.00 C ATOM 300 OG SER A 20 -15.307 0.602 3.288 1.00 0.00 O ATOM 0 H SER A 20 -12.600 0.539 6.042 1.00 0.00 H new ATOM 0 HA SER A 20 -15.275 -0.263 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.397 1.728 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.313 0.756 3.777 1.00 0.00 H new ATOM 0 HG SER A 20 -15.248 1.328 2.632 1.00 0.00 H new ATOM 306 N GLU A 21 -13.145 -2.207 4.302 1.00 0.00 N ATOM 307 CA GLU A 21 -13.001 -3.497 3.639 1.00 0.00 C ATOM 308 C GLU A 21 -13.591 -4.616 4.493 1.00 0.00 C ATOM 309 O GLU A 21 -14.692 -5.097 4.229 1.00 0.00 O ATOM 310 CB GLU A 21 -11.526 -3.782 3.347 1.00 0.00 C ATOM 311 CG GLU A 21 -10.953 -2.933 2.226 1.00 0.00 C ATOM 312 CD GLU A 21 -11.691 -3.123 0.915 1.00 0.00 C ATOM 313 OE1 GLU A 21 -11.434 -4.135 0.230 1.00 0.00 O ATOM 314 OE2 GLU A 21 -12.525 -2.259 0.573 1.00 0.00 O ATOM 0 H GLU A 21 -12.264 -1.731 4.495 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.548 -3.458 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.945 -3.612 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.412 -4.835 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.995 -1.882 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.901 -3.184 2.086 1.00 0.00 H new ATOM 321 N GLU A 22 -12.850 -5.027 5.517 1.00 0.00 N ATOM 322 CA GLU A 22 -13.300 -6.089 6.410 1.00 0.00 C ATOM 323 C GLU A 22 -13.558 -7.379 5.637 1.00 0.00 C ATOM 324 O GLU A 22 -14.543 -8.077 5.885 1.00 0.00 O ATOM 325 CB GLU A 22 -14.569 -5.658 7.148 1.00 0.00 C ATOM 326 CG GLU A 22 -14.638 -6.159 8.581 1.00 0.00 C ATOM 327 CD GLU A 22 -16.019 -6.000 9.188 1.00 0.00 C ATOM 328 OE1 GLU A 22 -16.436 -4.847 9.420 1.00 0.00 O ATOM 329 OE2 GLU A 22 -16.682 -7.030 9.432 1.00 0.00 O ATOM 0 H GLU A 22 -11.935 -4.641 5.749 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.511 -6.277 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.627 -4.570 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.439 -6.023 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.352 -7.210 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.914 -5.615 9.187 1.00 0.00 H new ATOM 336 N ASP A 23 -12.669 -7.691 4.700 1.00 0.00 N ATOM 337 CA ASP A 23 -12.801 -8.897 3.891 1.00 0.00 C ATOM 338 C ASP A 23 -11.611 -9.057 2.951 1.00 0.00 C ATOM 339 O ASP A 23 -11.115 -10.163 2.742 1.00 0.00 O ATOM 340 CB ASP A 23 -14.103 -8.858 3.087 1.00 0.00 C ATOM 341 CG ASP A 23 -15.212 -9.654 3.745 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.125 -10.900 3.751 1.00 0.00 O ATOM 343 OD2 ASP A 23 -16.169 -9.032 4.253 1.00 0.00 O ATOM 0 H ASP A 23 -11.849 -7.125 4.482 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.824 -9.754 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.423 -7.823 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.921 -9.251 2.087 1.00 0.00 H new ATOM 348 N ARG A 24 -11.161 -7.943 2.389 1.00 0.00 N ATOM 349 CA ARG A 24 -10.029 -7.953 1.469 1.00 0.00 C ATOM 350 C ARG A 24 -8.836 -7.212 2.067 1.00 0.00 C ATOM 351 O ARG A 24 -8.866 -6.806 3.230 1.00 0.00 O ATOM 352 CB ARG A 24 -10.426 -7.319 0.134 1.00 0.00 C ATOM 353 CG ARG A 24 -11.558 -8.049 -0.570 1.00 0.00 C ATOM 354 CD ARG A 24 -11.103 -9.398 -1.103 1.00 0.00 C ATOM 355 NE ARG A 24 -12.058 -9.960 -2.056 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.755 -10.913 -2.935 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.528 -11.416 -2.984 1.00 0.00 N ATOM 358 NH2 ARG A 24 -12.684 -11.367 -3.766 1.00 0.00 N ATOM 0 H ARG A 24 -11.562 -7.020 2.554 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.739 -8.990 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.723 -6.284 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.556 -7.296 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.387 -8.191 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.931 -7.438 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.132 -9.289 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.970 -10.090 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.013 -9.601 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.810 -11.073 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.303 -12.146 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.630 -10.986 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.453 -12.097 -4.440 1.00 0.00 H new ATOM 372 N VAL A 25 -7.788 -7.041 1.269 1.00 0.00 N ATOM 373 CA VAL A 25 -6.585 -6.351 1.724 1.00 0.00 C ATOM 374 C VAL A 25 -6.651 -4.861 1.397 1.00 0.00 C ATOM 375 O VAL A 25 -7.685 -4.359 0.953 1.00 0.00 O ATOM 376 CB VAL A 25 -5.302 -6.950 1.099 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.172 -6.972 2.118 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.560 -8.349 0.555 1.00 0.00 C ATOM 0 H VAL A 25 -7.746 -7.370 0.304 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.540 -6.486 2.805 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.004 -6.314 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.278 -7.396 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.962 -5.955 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.465 -7.580 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.642 -8.746 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.890 -8.999 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.333 -8.304 -0.212 1.00 0.00 H new ATOM 388 N VAL A 26 -5.543 -4.160 1.612 1.00 0.00 N ATOM 389 CA VAL A 26 -5.471 -2.741 1.338 1.00 0.00 C ATOM 390 C VAL A 26 -4.035 -2.234 1.445 1.00 0.00 C ATOM 391 O VAL A 26 -3.410 -2.332 2.500 1.00 0.00 O ATOM 392 CB VAL A 26 -6.375 -1.935 2.294 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.939 -2.128 3.737 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.376 -0.458 1.922 1.00 0.00 C ATOM 0 H VAL A 26 -4.680 -4.561 1.978 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.825 -2.595 0.318 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.394 -2.309 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.590 -1.551 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.004 -3.184 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.910 -1.787 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.020 0.090 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.361 -0.066 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.748 -0.339 0.904 1.00 0.00 H new ATOM 404 N VAL A 27 -3.518 -1.696 0.345 1.00 0.00 N ATOM 405 CA VAL A 27 -2.156 -1.180 0.319 1.00 0.00 C ATOM 406 C VAL A 27 -2.128 0.314 0.631 1.00 0.00 C ATOM 407 O VAL A 27 -2.983 1.072 0.174 1.00 0.00 O ATOM 408 CB VAL A 27 -1.489 -1.432 -1.049 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.091 -0.831 -1.091 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.443 -2.922 -1.350 1.00 0.00 C ATOM 0 H VAL A 27 -4.021 -1.607 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.596 -1.713 1.087 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.088 -0.943 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.358 -1.022 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.152 0.244 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.523 -1.284 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.970 -3.083 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.869 -3.432 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.457 -3.320 -1.371 1.00 0.00 H new ATOM 420 N ILE A 28 -1.136 0.727 1.415 1.00 0.00 N ATOM 421 CA ILE A 28 -0.988 2.125 1.794 1.00 0.00 C ATOM 422 C ILE A 28 0.481 2.536 1.795 1.00 0.00 C ATOM 423 O ILE A 28 1.292 1.974 2.530 1.00 0.00 O ATOM 424 CB ILE A 28 -1.586 2.394 3.189 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.988 1.791 3.292 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.625 3.888 3.470 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.987 0.321 3.652 1.00 0.00 C ATOM 0 H ILE A 28 -0.421 0.109 1.800 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.530 2.716 1.055 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.951 1.920 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.557 2.340 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.503 1.924 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.050 4.061 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.613 4.292 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.240 4.384 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.014 -0.041 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.446 -0.240 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.501 0.183 4.618 1.00 0.00 H new ATOM 439 N ARG A 29 0.817 3.517 0.963 1.00 0.00 N ATOM 440 CA ARG A 29 2.190 3.997 0.867 1.00 0.00 C ATOM 441 C ARG A 29 2.331 5.381 1.494 1.00 0.00 C ATOM 442 O ARG A 29 1.441 6.222 1.373 1.00 0.00 O ATOM 443 CB ARG A 29 2.638 4.037 -0.597 1.00 0.00 C ATOM 444 CG ARG A 29 1.909 5.080 -1.431 1.00 0.00 C ATOM 445 CD ARG A 29 2.860 6.145 -1.957 1.00 0.00 C ATOM 446 NE ARG A 29 3.795 5.606 -2.945 1.00 0.00 N ATOM 447 CZ ARG A 29 5.056 5.266 -2.675 1.00 0.00 C ATOM 448 NH1 ARG A 29 5.547 5.402 -1.449 1.00 0.00 N ATOM 449 NH2 ARG A 29 5.829 4.786 -3.639 1.00 0.00 N ATOM 0 H ARG A 29 0.158 3.994 0.347 1.00 0.00 H new ATOM 0 HA ARG A 29 2.828 3.305 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.709 4.238 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.482 3.055 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.410 4.592 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.133 5.551 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.285 6.955 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.419 6.574 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 29 3.461 5.482 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.958 5.770 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.513 5.139 -1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.459 4.678 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.794 4.525 -3.436 1.00 0.00 H new ATOM 463 N PHE A 30 3.456 5.608 2.164 1.00 0.00 N ATOM 464 CA PHE A 30 3.716 6.889 2.810 1.00 0.00 C ATOM 465 C PHE A 30 4.744 7.695 2.023 1.00 0.00 C ATOM 466 O PHE A 30 5.926 7.350 1.990 1.00 0.00 O ATOM 467 CB PHE A 30 4.209 6.672 4.242 1.00 0.00 C ATOM 468 CG PHE A 30 3.259 5.875 5.090 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.098 6.452 5.580 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.526 4.551 5.394 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.222 5.721 6.360 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.653 3.815 6.174 1.00 0.00 C ATOM 473 CZ PHE A 30 1.499 4.401 6.658 1.00 0.00 C ATOM 0 H PHE A 30 4.202 4.921 2.274 1.00 0.00 H new ATOM 0 HA PHE A 30 2.782 7.451 2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.172 6.162 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.376 7.642 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.876 7.483 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.426 4.088 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.321 6.182 6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.873 2.783 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.816 3.829 7.268 1.00 0.00 H new ATOM 483 N GLY A 31 4.287 8.770 1.388 1.00 0.00 N ATOM 484 CA GLY A 31 5.179 9.606 0.609 1.00 0.00 C ATOM 485 C GLY A 31 4.441 10.447 -0.414 1.00 0.00 C ATOM 486 O GLY A 31 3.421 10.021 -0.957 1.00 0.00 O ATOM 0 H GLY A 31 3.314 9.076 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.736 10.261 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.909 8.977 0.099 1.00 0.00 H new ATOM 490 N HIS A 32 4.956 11.643 -0.678 1.00 0.00 N ATOM 491 CA HIS A 32 4.337 12.545 -1.643 1.00 0.00 C ATOM 492 C HIS A 32 4.425 11.975 -3.054 1.00 0.00 C ATOM 493 O HIS A 32 5.431 11.372 -3.429 1.00 0.00 O ATOM 494 CB HIS A 32 5.009 13.918 -1.591 1.00 0.00 C ATOM 495 CG HIS A 32 4.059 15.058 -1.794 1.00 0.00 C ATOM 496 ND1 HIS A 32 2.762 15.049 -1.324 1.00 0.00 N ATOM 497 CD2 HIS A 32 4.221 16.247 -2.420 1.00 0.00 C ATOM 498 CE1 HIS A 32 2.169 16.183 -1.652 1.00 0.00 C ATOM 499 NE2 HIS A 32 3.033 16.927 -2.318 1.00 0.00 N ATOM 0 H HIS A 32 5.800 12.010 -0.238 1.00 0.00 H new ATOM 0 HA HIS A 32 3.285 12.653 -1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.503 14.035 -0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.785 13.962 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.118 16.596 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.151 16.455 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.848 17.856 -2.695 1.00 0.00 H new ATOM 508 N ASP A 33 3.366 12.170 -3.833 1.00 0.00 N ATOM 509 CA ASP A 33 3.324 11.675 -5.205 1.00 0.00 C ATOM 510 C ASP A 33 4.464 12.260 -6.032 1.00 0.00 C ATOM 511 O ASP A 33 4.943 11.634 -6.978 1.00 0.00 O ATOM 512 CB ASP A 33 1.981 12.017 -5.852 1.00 0.00 C ATOM 513 CG ASP A 33 1.491 10.926 -6.782 1.00 0.00 C ATOM 514 OD1 ASP A 33 2.336 10.285 -7.443 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.263 10.710 -6.849 1.00 0.00 O ATOM 0 H ASP A 33 2.526 12.667 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 33 3.441 10.592 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.238 12.186 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.076 12.949 -6.409 1.00 0.00 H new ATOM 520 N TRP A 34 4.893 13.466 -5.672 1.00 0.00 N ATOM 521 CA TRP A 34 5.976 14.135 -6.383 1.00 0.00 C ATOM 522 C TRP A 34 7.255 13.304 -6.342 1.00 0.00 C ATOM 523 O TRP A 34 8.071 13.357 -7.261 1.00 0.00 O ATOM 524 CB TRP A 34 6.234 15.517 -5.777 1.00 0.00 C ATOM 525 CG TRP A 34 5.358 16.589 -6.350 1.00 0.00 C ATOM 526 CD1 TRP A 34 4.622 17.505 -5.655 1.00 0.00 C ATOM 527 CD2 TRP A 34 5.125 16.856 -7.738 1.00 0.00 C ATOM 528 NE1 TRP A 34 3.946 18.326 -6.525 1.00 0.00 N ATOM 529 CE2 TRP A 34 4.239 17.947 -7.809 1.00 0.00 C ATOM 530 CE3 TRP A 34 5.581 16.279 -8.926 1.00 0.00 C ATOM 531 CZ2 TRP A 34 3.800 18.472 -9.023 1.00 0.00 C ATOM 532 CZ3 TRP A 34 5.144 16.800 -10.131 1.00 0.00 C ATOM 533 CH2 TRP A 34 4.262 17.888 -10.170 1.00 0.00 C ATOM 0 H TRP A 34 4.507 13.999 -4.893 1.00 0.00 H new ATOM 0 HA TRP A 34 5.674 14.250 -7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.079 15.468 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.278 15.787 -5.937 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.578 17.574 -4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.327 19.092 -6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 34 6.262 15.441 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.119 19.310 -9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 5.488 16.361 -11.056 1.00 0.00 H new ATOM 0 HH2 TRP A 34 3.940 18.274 -11.126 1.00 0.00 H new ATOM 544 N ASP A 35 7.423 12.537 -5.269 1.00 0.00 N ATOM 545 CA ASP A 35 8.603 11.695 -5.109 1.00 0.00 C ATOM 546 C ASP A 35 8.715 10.690 -6.255 1.00 0.00 C ATOM 547 O ASP A 35 7.705 10.215 -6.773 1.00 0.00 O ATOM 548 CB ASP A 35 8.553 10.959 -3.768 1.00 0.00 C ATOM 549 CG ASP A 35 9.747 11.277 -2.888 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.789 11.702 -3.430 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.640 11.100 -1.656 1.00 0.00 O ATOM 0 H ASP A 35 6.757 12.481 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 35 9.483 12.338 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.636 11.228 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.514 9.885 -3.948 1.00 0.00 H new ATOM 556 N PRO A 36 9.950 10.351 -6.667 1.00 0.00 N ATOM 557 CA PRO A 36 10.184 9.398 -7.756 1.00 0.00 C ATOM 558 C PRO A 36 9.502 8.057 -7.510 1.00 0.00 C ATOM 559 O PRO A 36 8.648 7.630 -8.289 1.00 0.00 O ATOM 560 CB PRO A 36 11.707 9.225 -7.765 1.00 0.00 C ATOM 561 CG PRO A 36 12.236 10.461 -7.124 1.00 0.00 C ATOM 562 CD PRO A 36 11.211 10.869 -6.105 1.00 0.00 C ATOM 0 HA PRO A 36 9.777 9.758 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.007 8.334 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.086 9.113 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.201 10.274 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.388 11.249 -7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.423 10.438 -5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.180 11.951 -5.977 1.00 0.00 H new ATOM 570 N THR A 37 9.885 7.394 -6.424 1.00 0.00 N ATOM 571 CA THR A 37 9.318 6.103 -6.071 1.00 0.00 C ATOM 572 C THR A 37 7.800 6.182 -5.981 1.00 0.00 C ATOM 573 O THR A 37 7.097 5.212 -6.265 1.00 0.00 O ATOM 574 CB THR A 37 9.895 5.614 -4.743 1.00 0.00 C ATOM 575 OG1 THR A 37 11.311 5.610 -4.782 1.00 0.00 O ATOM 576 CG2 THR A 37 9.441 4.220 -4.370 1.00 0.00 C ATOM 0 H THR A 37 10.591 7.735 -5.771 1.00 0.00 H new ATOM 0 HA THR A 37 9.580 5.393 -6.855 1.00 0.00 H new ATOM 0 HB THR A 37 9.523 6.312 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.663 5.501 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.887 3.935 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.355 4.203 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.754 3.517 -5.142 1.00 0.00 H new ATOM 584 N CYS A 38 7.302 7.347 -5.584 1.00 0.00 N ATOM 585 CA CYS A 38 5.866 7.560 -5.454 1.00 0.00 C ATOM 586 C CYS A 38 5.200 7.632 -6.824 1.00 0.00 C ATOM 587 O CYS A 38 4.030 7.281 -6.975 1.00 0.00 O ATOM 588 CB CYS A 38 5.589 8.845 -4.670 1.00 0.00 C ATOM 589 SG CYS A 38 4.244 8.699 -3.468 1.00 0.00 S ATOM 0 H CYS A 38 7.872 8.159 -5.346 1.00 0.00 H new ATOM 0 HA CYS A 38 5.446 6.714 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.498 9.143 -4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.349 9.643 -5.373 1.00 0.00 H new ATOM 0 HG CYS A 38 4.741 8.521 -2.280 1.00 0.00 H new ATOM 595 N MET A 39 5.953 8.088 -7.820 1.00 0.00 N ATOM 596 CA MET A 39 5.435 8.205 -9.178 1.00 0.00 C ATOM 597 C MET A 39 5.616 6.898 -9.945 1.00 0.00 C ATOM 598 O MET A 39 4.775 6.527 -10.763 1.00 0.00 O ATOM 599 CB MET A 39 6.138 9.345 -9.918 1.00 0.00 C ATOM 600 CG MET A 39 5.302 9.954 -11.031 1.00 0.00 C ATOM 601 SD MET A 39 6.190 11.228 -11.947 1.00 0.00 S ATOM 602 CE MET A 39 6.890 10.261 -13.280 1.00 0.00 C ATOM 0 H MET A 39 6.924 8.382 -7.712 1.00 0.00 H new ATOM 0 HA MET A 39 4.369 8.424 -9.115 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.399 10.125 -9.203 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.072 8.973 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.991 9.168 -11.719 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.395 10.383 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.470 10.911 -13.935 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.539 9.489 -12.867 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.088 9.794 -13.851 1.00 0.00 H new ATOM 612 N LYS A 40 6.718 6.206 -9.674 1.00 0.00 N ATOM 613 CA LYS A 40 7.009 4.941 -10.340 1.00 0.00 C ATOM 614 C LYS A 40 5.963 3.889 -9.985 1.00 0.00 C ATOM 615 O LYS A 40 5.443 3.197 -10.860 1.00 0.00 O ATOM 616 CB LYS A 40 8.402 4.444 -9.949 1.00 0.00 C ATOM 617 CG LYS A 40 9.499 4.906 -10.895 1.00 0.00 C ATOM 618 CD LYS A 40 10.815 5.112 -10.162 1.00 0.00 C ATOM 619 CE LYS A 40 12.004 4.908 -11.086 1.00 0.00 C ATOM 620 NZ LYS A 40 12.077 5.960 -12.138 1.00 0.00 N ATOM 0 H LYS A 40 7.424 6.499 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 40 6.980 5.109 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.633 4.790 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.395 3.354 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.633 4.168 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.199 5.837 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.846 6.118 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.879 4.417 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.924 4.915 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.934 3.928 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.901 5.785 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.211 5.937 -12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.170 6.894 -11.689 1.00 0.00 H new ATOM 634 N MET A 41 5.663 3.773 -8.696 1.00 0.00 N ATOM 635 CA MET A 41 4.683 2.803 -8.223 1.00 0.00 C ATOM 636 C MET A 41 3.265 3.237 -8.584 1.00 0.00 C ATOM 637 O MET A 41 2.423 2.411 -8.931 1.00 0.00 O ATOM 638 CB MET A 41 4.802 2.624 -6.708 1.00 0.00 C ATOM 639 CG MET A 41 6.084 1.929 -6.278 1.00 0.00 C ATOM 640 SD MET A 41 5.996 0.137 -6.458 1.00 0.00 S ATOM 641 CE MET A 41 7.712 -0.253 -6.791 1.00 0.00 C ATOM 0 H MET A 41 6.085 4.339 -7.960 1.00 0.00 H new ATOM 0 HA MET A 41 4.888 1.851 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.750 3.602 -6.229 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.948 2.048 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.916 2.310 -6.871 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.295 2.176 -5.238 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.833 -1.334 -6.856 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.012 0.203 -7.734 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.336 0.134 -5.986 1.00 0.00 H new ATOM 651 N ASP A 42 3.007 4.538 -8.498 1.00 0.00 N ATOM 652 CA ASP A 42 1.690 5.076 -8.813 1.00 0.00 C ATOM 653 C ASP A 42 1.421 5.024 -10.315 1.00 0.00 C ATOM 654 O ASP A 42 0.358 4.580 -10.750 1.00 0.00 O ATOM 655 CB ASP A 42 1.571 6.518 -8.314 1.00 0.00 C ATOM 656 CG ASP A 42 1.378 6.594 -6.812 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.712 5.609 -6.119 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.893 7.638 -6.327 1.00 0.00 O ATOM 0 H ASP A 42 3.692 5.238 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 42 0.946 4.459 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.469 7.071 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.731 7.004 -8.811 1.00 0.00 H new ATOM 663 N GLU A 43 2.391 5.478 -11.103 1.00 0.00 N ATOM 664 CA GLU A 43 2.258 5.483 -12.556 1.00 0.00 C ATOM 665 C GLU A 43 1.978 4.079 -13.082 1.00 0.00 C ATOM 666 O GLU A 43 1.284 3.907 -14.083 1.00 0.00 O ATOM 667 CB GLU A 43 3.527 6.039 -13.205 1.00 0.00 C ATOM 668 CG GLU A 43 3.675 7.544 -13.060 1.00 0.00 C ATOM 669 CD GLU A 43 2.853 8.311 -14.076 1.00 0.00 C ATOM 670 OE1 GLU A 43 1.881 7.735 -14.610 1.00 0.00 O ATOM 671 OE2 GLU A 43 3.180 9.488 -14.339 1.00 0.00 O ATOM 0 H GLU A 43 3.278 5.847 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 43 1.415 6.124 -12.815 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.395 5.552 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.525 5.783 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.373 7.840 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.725 7.814 -13.169 1.00 0.00 H new ATOM 678 N VAL A 44 2.522 3.079 -12.397 1.00 0.00 N ATOM 679 CA VAL A 44 2.329 1.689 -12.792 1.00 0.00 C ATOM 680 C VAL A 44 1.075 1.106 -12.146 1.00 0.00 C ATOM 681 O VAL A 44 0.355 0.316 -12.759 1.00 0.00 O ATOM 682 CB VAL A 44 3.551 0.827 -12.412 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.683 0.712 -10.900 1.00 0.00 C ATOM 684 CG2 VAL A 44 3.459 -0.550 -13.055 1.00 0.00 C ATOM 0 H VAL A 44 3.100 3.205 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 44 2.211 1.674 -13.875 1.00 0.00 H new ATOM 0 HB VAL A 44 4.446 1.320 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.551 0.100 -10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.807 1.705 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.786 0.248 -10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.330 -1.142 -12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.554 -1.052 -12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.427 -0.444 -14.139 1.00 0.00 H new ATOM 694 N LEU A 45 0.819 1.507 -10.903 1.00 0.00 N ATOM 695 CA LEU A 45 -0.346 1.033 -10.161 1.00 0.00 C ATOM 696 C LEU A 45 -1.613 1.116 -11.008 1.00 0.00 C ATOM 697 O LEU A 45 -2.364 0.146 -11.115 1.00 0.00 O ATOM 698 CB LEU A 45 -0.524 1.851 -8.879 1.00 0.00 C ATOM 699 CG LEU A 45 0.094 1.233 -7.625 1.00 0.00 C ATOM 700 CD1 LEU A 45 0.039 2.213 -6.464 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.617 -0.063 -7.266 1.00 0.00 C ATOM 0 H LEU A 45 1.406 2.162 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.176 -0.012 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.087 2.838 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.590 1.998 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 45 1.140 1.006 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.483 1.755 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.593 3.115 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.999 2.472 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.165 -0.490 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.671 0.140 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.525 -0.769 -8.091 1.00 0.00 H new ATOM 713 N TYR A 46 -1.846 2.278 -11.611 1.00 0.00 N ATOM 714 CA TYR A 46 -3.024 2.482 -12.449 1.00 0.00 C ATOM 715 C TYR A 46 -3.151 1.379 -13.495 1.00 0.00 C ATOM 716 O TYR A 46 -4.246 0.884 -13.764 1.00 0.00 O ATOM 717 CB TYR A 46 -2.958 3.848 -13.135 1.00 0.00 C ATOM 718 CG TYR A 46 -4.171 4.160 -13.982 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.402 4.427 -13.396 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.084 4.187 -15.368 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.512 4.713 -14.168 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.191 4.472 -16.147 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.401 4.734 -15.542 1.00 0.00 C ATOM 724 OH TYR A 46 -7.505 5.019 -16.313 1.00 0.00 O ATOM 0 H TYR A 46 -1.236 3.092 -11.535 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.904 2.448 -11.806 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.847 4.622 -12.375 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.067 3.887 -13.762 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.493 4.411 -12.320 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.137 3.982 -15.845 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.462 4.919 -13.697 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.107 4.489 -17.224 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.257 4.995 -17.261 1.00 0.00 H new ATOM 734 N SER A 47 -2.022 1.001 -14.079 1.00 0.00 N ATOM 735 CA SER A 47 -1.995 -0.044 -15.096 1.00 0.00 C ATOM 736 C SER A 47 -1.783 -1.424 -14.472 1.00 0.00 C ATOM 737 O SER A 47 -1.606 -2.412 -15.184 1.00 0.00 O ATOM 738 CB SER A 47 -0.893 0.239 -16.117 1.00 0.00 C ATOM 739 OG SER A 47 -1.387 1.002 -17.204 1.00 0.00 O ATOM 0 H SER A 47 -1.109 1.403 -13.866 1.00 0.00 H new ATOM 0 HA SER A 47 -2.962 -0.043 -15.599 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.075 0.775 -15.635 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.484 -0.702 -16.485 1.00 0.00 H new ATOM 0 HG SER A 47 -0.662 1.171 -17.842 1.00 0.00 H new ATOM 745 N ILE A 48 -1.798 -1.488 -13.142 1.00 0.00 N ATOM 746 CA ILE A 48 -1.603 -2.749 -12.438 1.00 0.00 C ATOM 747 C ILE A 48 -2.070 -2.652 -10.986 1.00 0.00 C ATOM 748 O ILE A 48 -1.301 -2.889 -10.054 1.00 0.00 O ATOM 749 CB ILE A 48 -0.124 -3.184 -12.473 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.029 -4.592 -11.895 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.745 -2.189 -11.714 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.267 -5.687 -12.895 1.00 0.00 C ATOM 0 H ILE A 48 -1.943 -0.682 -12.534 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.205 -3.498 -12.953 1.00 0.00 H new ATOM 0 HB ILE A 48 0.209 -3.201 -13.511 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.046 -4.715 -11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.639 -4.700 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.785 -2.513 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.656 -1.204 -12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.417 -2.137 -10.676 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.139 -6.659 -12.419 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.293 -5.589 -13.249 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.418 -5.604 -13.739 1.00 0.00 H new ATOM 764 N ALA A 49 -3.336 -2.302 -10.803 1.00 0.00 N ATOM 765 CA ALA A 49 -3.910 -2.175 -9.467 1.00 0.00 C ATOM 766 C ALA A 49 -5.411 -2.440 -9.485 1.00 0.00 C ATOM 767 O ALA A 49 -5.880 -3.448 -8.957 1.00 0.00 O ATOM 768 CB ALA A 49 -3.624 -0.794 -8.898 1.00 0.00 C ATOM 0 H ALA A 49 -3.987 -2.101 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.443 -2.924 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.058 -0.714 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.546 -0.641 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.062 -0.035 -9.547 1.00 0.00 H new ATOM 774 N GLU A 50 -6.161 -1.526 -10.094 1.00 0.00 N ATOM 775 CA GLU A 50 -7.612 -1.652 -10.182 1.00 0.00 C ATOM 776 C GLU A 50 -8.024 -3.042 -10.662 1.00 0.00 C ATOM 777 O GLU A 50 -9.112 -3.521 -10.342 1.00 0.00 O ATOM 778 CB GLU A 50 -8.178 -0.587 -11.124 1.00 0.00 C ATOM 779 CG GLU A 50 -7.468 -0.522 -12.466 1.00 0.00 C ATOM 780 CD GLU A 50 -8.204 -1.279 -13.553 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.302 -0.834 -13.947 1.00 0.00 O ATOM 782 OE2 GLU A 50 -7.683 -2.319 -14.011 1.00 0.00 O ATOM 0 H GLU A 50 -5.786 -0.687 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.020 -1.505 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.236 -0.788 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.111 0.387 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.359 0.521 -12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.463 -0.930 -12.361 1.00 0.00 H new ATOM 789 N LYS A 51 -7.150 -3.683 -11.432 1.00 0.00 N ATOM 790 CA LYS A 51 -7.424 -5.017 -11.958 1.00 0.00 C ATOM 791 C LYS A 51 -7.808 -5.984 -10.840 1.00 0.00 C ATOM 792 O LYS A 51 -8.609 -6.896 -11.044 1.00 0.00 O ATOM 793 CB LYS A 51 -6.205 -5.551 -12.711 1.00 0.00 C ATOM 794 CG LYS A 51 -4.959 -5.665 -11.847 1.00 0.00 C ATOM 795 CD LYS A 51 -3.861 -6.441 -12.555 1.00 0.00 C ATOM 796 CE LYS A 51 -4.186 -7.923 -12.634 1.00 0.00 C ATOM 797 NZ LYS A 51 -3.751 -8.520 -13.928 1.00 0.00 N ATOM 0 H LYS A 51 -6.245 -3.300 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.266 -4.938 -12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.443 -6.532 -13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.993 -4.895 -13.555 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.597 -4.668 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.209 -6.160 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.724 -6.044 -13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.918 -6.302 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.698 -8.446 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.260 -8.066 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.991 -9.532 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.235 -8.039 -14.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.723 -8.407 -14.034 1.00 0.00 H new ATOM 811 N VAL A 52 -7.232 -5.779 -9.660 1.00 0.00 N ATOM 812 CA VAL A 52 -7.515 -6.635 -8.514 1.00 0.00 C ATOM 813 C VAL A 52 -8.199 -5.856 -7.395 1.00 0.00 C ATOM 814 O VAL A 52 -8.103 -6.224 -6.223 1.00 0.00 O ATOM 815 CB VAL A 52 -6.229 -7.278 -7.964 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.735 -8.372 -8.898 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.154 -6.224 -7.751 1.00 0.00 C ATOM 0 H VAL A 52 -6.567 -5.028 -9.473 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.185 -7.419 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.457 -7.732 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.825 -8.814 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.501 -9.142 -8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.524 -7.945 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.252 -6.697 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.928 -5.738 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.510 -5.480 -7.038 1.00 0.00 H new ATOM 827 N LYS A 53 -8.884 -4.776 -7.759 1.00 0.00 N ATOM 828 CA LYS A 53 -9.580 -3.944 -6.789 1.00 0.00 C ATOM 829 C LYS A 53 -10.484 -4.781 -5.886 1.00 0.00 C ATOM 830 O LYS A 53 -10.712 -4.434 -4.727 1.00 0.00 O ATOM 831 CB LYS A 53 -10.407 -2.874 -7.504 1.00 0.00 C ATOM 832 CG LYS A 53 -10.550 -1.585 -6.714 1.00 0.00 C ATOM 833 CD LYS A 53 -9.251 -0.797 -6.694 1.00 0.00 C ATOM 834 CE LYS A 53 -9.239 0.284 -7.762 1.00 0.00 C ATOM 835 NZ LYS A 53 -9.660 1.606 -7.220 1.00 0.00 N ATOM 0 H LYS A 53 -8.971 -4.457 -8.724 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.828 -3.461 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.944 -2.651 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.399 -3.274 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.340 -0.975 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.853 -1.815 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.115 -0.342 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.411 -1.474 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.237 0.367 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.904 -0.003 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.478 2.345 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.676 1.582 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.121 1.815 -6.356 1.00 0.00 H new ATOM 849 N ASN A 54 -10.996 -5.882 -6.426 1.00 0.00 N ATOM 850 CA ASN A 54 -11.877 -6.766 -5.670 1.00 0.00 C ATOM 851 C ASN A 54 -11.097 -7.550 -4.619 1.00 0.00 C ATOM 852 O ASN A 54 -11.634 -7.902 -3.569 1.00 0.00 O ATOM 853 CB ASN A 54 -12.594 -7.732 -6.614 1.00 0.00 C ATOM 854 CG ASN A 54 -13.672 -7.048 -7.433 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.687 -6.603 -6.896 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.455 -6.959 -8.740 1.00 0.00 N ATOM 0 H ASN A 54 -10.816 -6.184 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.616 -6.149 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.866 -8.187 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.040 -8.539 -6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.144 -6.508 -9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.599 -7.342 -9.142 1.00 0.00 H new ATOM 863 N PHE A 55 -9.829 -7.822 -4.908 1.00 0.00 N ATOM 864 CA PHE A 55 -8.977 -8.566 -3.988 1.00 0.00 C ATOM 865 C PHE A 55 -8.384 -7.647 -2.922 1.00 0.00 C ATOM 866 O PHE A 55 -7.980 -8.103 -1.853 1.00 0.00 O ATOM 867 CB PHE A 55 -7.854 -9.268 -4.755 1.00 0.00 C ATOM 868 CG PHE A 55 -8.346 -10.149 -5.867 1.00 0.00 C ATOM 869 CD1 PHE A 55 -8.693 -9.608 -7.095 1.00 0.00 C ATOM 870 CD2 PHE A 55 -8.462 -11.517 -5.685 1.00 0.00 C ATOM 871 CE1 PHE A 55 -9.146 -10.416 -8.121 1.00 0.00 C ATOM 872 CE2 PHE A 55 -8.915 -12.331 -6.706 1.00 0.00 C ATOM 873 CZ PHE A 55 -9.258 -11.779 -7.926 1.00 0.00 C ATOM 0 H PHE A 55 -9.368 -7.538 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.593 -9.315 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.182 -8.516 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.270 -9.869 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.608 -8.543 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.195 -11.953 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.412 -9.982 -9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.001 -13.396 -6.551 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.613 -12.412 -8.726 1.00 0.00 H new ATOM 883 N ALA A 56 -8.336 -6.352 -3.220 1.00 0.00 N ATOM 884 CA ALA A 56 -7.793 -5.372 -2.286 1.00 0.00 C ATOM 885 C ALA A 56 -7.949 -3.956 -2.828 1.00 0.00 C ATOM 886 O ALA A 56 -8.449 -3.757 -3.935 1.00 0.00 O ATOM 887 CB ALA A 56 -6.331 -5.671 -1.997 1.00 0.00 C ATOM 0 H ALA A 56 -8.666 -5.957 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.356 -5.442 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.940 -4.931 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.243 -6.666 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.761 -5.631 -2.925 1.00 0.00 H new ATOM 893 N VAL A 57 -7.516 -2.975 -2.044 1.00 0.00 N ATOM 894 CA VAL A 57 -7.607 -1.577 -2.451 1.00 0.00 C ATOM 895 C VAL A 57 -6.399 -0.785 -1.966 1.00 0.00 C ATOM 896 O VAL A 57 -6.135 -0.709 -0.767 1.00 0.00 O ATOM 897 CB VAL A 57 -8.890 -0.913 -1.916 1.00 0.00 C ATOM 898 CG1 VAL A 57 -10.088 -1.310 -2.763 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.115 -1.279 -0.456 1.00 0.00 C ATOM 0 H VAL A 57 -7.099 -3.121 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.633 -1.568 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.770 0.169 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.985 -0.832 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.927 -0.991 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.211 -2.393 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.026 -0.800 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.213 -2.361 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.268 -0.939 0.139 1.00 0.00 H new ATOM 909 N ILE A 58 -5.668 -0.197 -2.905 1.00 0.00 N ATOM 910 CA ILE A 58 -4.486 0.588 -2.571 1.00 0.00 C ATOM 911 C ILE A 58 -4.817 2.075 -2.477 1.00 0.00 C ATOM 912 O ILE A 58 -5.817 2.533 -3.030 1.00 0.00 O ATOM 913 CB ILE A 58 -3.365 0.382 -3.610 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.088 1.094 -3.160 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.804 0.879 -4.979 1.00 0.00 C ATOM 916 CD1 ILE A 58 -0.833 0.552 -3.809 1.00 0.00 C ATOM 0 H ILE A 58 -5.873 -0.249 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.138 0.239 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.157 -0.685 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.175 2.157 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.995 1.006 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.999 0.725 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.688 0.328 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.040 1.942 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.033 1.104 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.722 -0.504 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.905 0.665 -4.891 1.00 0.00 H new ATOM 928 N TYR A 59 -3.964 2.823 -1.782 1.00 0.00 N ATOM 929 CA TYR A 59 -4.150 4.247 -1.619 1.00 0.00 C ATOM 930 C TYR A 59 -2.835 4.929 -1.251 1.00 0.00 C ATOM 931 O TYR A 59 -1.962 4.322 -0.629 1.00 0.00 O ATOM 932 CB TYR A 59 -5.208 4.543 -0.554 1.00 0.00 C ATOM 933 CG TYR A 59 -6.527 3.840 -0.787 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.517 4.422 -1.568 1.00 0.00 C ATOM 935 CD2 TYR A 59 -6.782 2.597 -0.223 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.724 3.784 -1.783 1.00 0.00 C ATOM 937 CE2 TYR A 59 -7.986 1.952 -0.434 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.953 2.549 -1.214 1.00 0.00 C ATOM 939 OH TYR A 59 -10.153 1.911 -1.424 1.00 0.00 O ATOM 0 H TYR A 59 -3.132 2.454 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.496 4.646 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.819 4.250 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.382 5.618 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.341 5.389 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.028 2.127 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.484 4.250 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.168 0.985 0.010 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.511 2.168 -2.299 1.00 0.00 H new ATOM 949 N LEU A 60 -2.702 6.193 -1.639 1.00 0.00 N ATOM 950 CA LEU A 60 -1.495 6.960 -1.349 1.00 0.00 C ATOM 951 C LEU A 60 -1.679 7.806 -0.094 1.00 0.00 C ATOM 952 O LEU A 60 -2.802 8.160 0.268 1.00 0.00 O ATOM 953 CB LEU A 60 -1.136 7.857 -2.536 1.00 0.00 C ATOM 954 CG LEU A 60 -1.030 7.143 -3.887 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.148 5.909 -3.776 1.00 0.00 C ATOM 956 CD2 LEU A 60 -2.412 6.768 -4.400 1.00 0.00 C ATOM 0 H LEU A 60 -3.415 6.708 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.680 6.257 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.887 8.643 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.185 8.346 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.570 7.827 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.087 5.417 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.851 6.204 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.575 5.221 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.318 6.262 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.897 6.103 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.012 7.670 -4.522 1.00 0.00 H new ATOM 968 N VAL A 61 -0.572 8.128 0.568 1.00 0.00 N ATOM 969 CA VAL A 61 -0.614 8.931 1.783 1.00 0.00 C ATOM 970 C VAL A 61 0.316 10.134 1.681 1.00 0.00 C ATOM 971 O VAL A 61 1.331 10.091 0.985 1.00 0.00 O ATOM 972 CB VAL A 61 -0.224 8.102 3.022 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.481 8.893 4.295 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.978 6.780 3.045 1.00 0.00 C ATOM 0 H VAL A 61 0.365 7.844 0.282 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.642 9.276 1.895 1.00 0.00 H new ATOM 0 HB VAL A 61 0.842 7.882 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.200 8.292 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.111 9.808 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.539 9.147 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.687 6.211 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.050 6.973 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.737 6.208 2.149 1.00 0.00 H new ATOM 984 N ASP A 62 -0.036 11.209 2.380 1.00 0.00 N ATOM 985 CA ASP A 62 0.768 12.425 2.371 1.00 0.00 C ATOM 986 C ASP A 62 1.406 12.665 3.737 1.00 0.00 C ATOM 987 O ASP A 62 0.812 13.305 4.605 1.00 0.00 O ATOM 988 CB ASP A 62 -0.091 13.628 1.979 1.00 0.00 C ATOM 989 CG ASP A 62 -0.749 13.451 0.624 1.00 0.00 C ATOM 990 OD1 ASP A 62 -0.250 12.630 -0.175 1.00 0.00 O ATOM 991 OD2 ASP A 62 -1.762 14.133 0.362 1.00 0.00 O ATOM 0 H ASP A 62 -0.873 11.262 2.960 1.00 0.00 H new ATOM 0 HA ASP A 62 1.562 12.300 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.860 13.784 2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.529 14.524 1.965 1.00 0.00 H new ATOM 996 N ILE A 63 2.615 12.143 3.920 1.00 0.00 N ATOM 997 CA ILE A 63 3.335 12.291 5.171 1.00 0.00 C ATOM 998 C ILE A 63 3.409 13.751 5.615 1.00 0.00 C ATOM 999 O ILE A 63 3.540 14.043 6.803 1.00 0.00 O ATOM 1000 CB ILE A 63 4.759 11.713 5.050 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.644 12.603 4.167 1.00 0.00 C ATOM 1002 CG2 ILE A 63 4.710 10.293 4.501 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.233 12.622 2.710 1.00 0.00 C ATOM 0 H ILE A 63 3.116 11.610 3.209 1.00 0.00 H new ATOM 0 HA ILE A 63 2.781 11.734 5.927 1.00 0.00 H new ATOM 0 HB ILE A 63 5.200 11.687 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.620 13.621 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.676 12.259 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.723 9.899 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.127 9.663 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.245 10.300 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.905 13.272 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.285 11.612 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.213 12.996 2.625 1.00 0.00 H new ATOM 1015 N THR A 64 3.325 14.665 4.652 1.00 0.00 N ATOM 1016 CA THR A 64 3.383 16.092 4.946 1.00 0.00 C ATOM 1017 C THR A 64 2.000 16.633 5.295 1.00 0.00 C ATOM 1018 O THR A 64 1.864 17.526 6.132 1.00 0.00 O ATOM 1019 CB THR A 64 3.956 16.857 3.753 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.087 16.187 3.224 1.00 0.00 O ATOM 1021 CG2 THR A 64 4.376 18.270 4.094 1.00 0.00 C ATOM 0 H THR A 64 3.217 14.442 3.663 1.00 0.00 H new ATOM 0 HA THR A 64 4.036 16.233 5.807 1.00 0.00 H new ATOM 0 HB THR A 64 3.147 16.902 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.438 16.691 2.460 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.774 18.756 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.513 18.828 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.144 18.245 4.867 1.00 0.00 H new ATOM 1029 N GLU A 65 0.977 16.086 4.647 1.00 0.00 N ATOM 1030 CA GLU A 65 -0.396 16.514 4.888 1.00 0.00 C ATOM 1031 C GLU A 65 -0.931 15.923 6.189 1.00 0.00 C ATOM 1032 O GLU A 65 -1.725 16.552 6.888 1.00 0.00 O ATOM 1033 CB GLU A 65 -1.294 16.102 3.720 1.00 0.00 C ATOM 1034 CG GLU A 65 -2.384 17.112 3.405 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.651 17.236 1.917 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -3.118 16.248 1.314 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.393 18.322 1.355 1.00 0.00 O ATOM 0 H GLU A 65 1.073 15.346 3.951 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.400 17.601 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.678 15.956 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.756 15.141 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.303 16.819 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.097 18.086 3.802 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.492 14.709 6.506 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.928 14.034 7.723 1.00 0.00 C ATOM 1046 C VAL A 66 -0.003 14.359 8.894 1.00 0.00 C ATOM 1047 O VAL A 66 1.219 14.353 8.749 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.974 12.506 7.530 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.623 11.837 8.732 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.714 12.152 6.249 1.00 0.00 C ATOM 0 H VAL A 66 0.164 14.173 5.938 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.932 14.397 7.944 1.00 0.00 H new ATOM 0 HB VAL A 66 0.048 12.137 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.647 10.758 8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.047 12.063 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.640 12.210 8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.736 11.069 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.734 12.533 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.202 12.601 5.397 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.575 14.647 10.078 1.00 0.00 N ATOM 1061 CA PRO A 67 0.209 14.974 11.272 1.00 0.00 C ATOM 1062 C PRO A 67 0.809 13.734 11.929 1.00 0.00 C ATOM 1063 O PRO A 67 0.545 13.449 13.098 1.00 0.00 O ATOM 1064 CB PRO A 67 -0.823 15.623 12.192 1.00 0.00 C ATOM 1065 CG PRO A 67 -2.113 14.976 11.822 1.00 0.00 C ATOM 1066 CD PRO A 67 -2.027 14.679 10.347 1.00 0.00 C ATOM 0 HA PRO A 67 1.063 15.612 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.581 15.454 13.241 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.864 16.702 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.268 14.062 12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.955 15.634 12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.500 13.728 10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.527 15.446 9.755 1.00 0.00 H new ATOM 1074 N ASP A 68 1.617 13.001 11.171 1.00 0.00 N ATOM 1075 CA ASP A 68 2.254 11.793 11.681 1.00 0.00 C ATOM 1076 C ASP A 68 3.547 12.127 12.419 1.00 0.00 C ATOM 1077 O ASP A 68 3.598 12.095 13.648 1.00 0.00 O ATOM 1078 CB ASP A 68 2.543 10.821 10.536 1.00 0.00 C ATOM 1079 CG ASP A 68 1.295 10.110 10.051 1.00 0.00 C ATOM 1080 OD1 ASP A 68 0.182 10.577 10.373 1.00 0.00 O ATOM 1081 OD2 ASP A 68 1.430 9.086 9.348 1.00 0.00 O ATOM 0 H ASP A 68 1.846 13.222 10.202 1.00 0.00 H new ATOM 0 HA ASP A 68 1.568 11.321 12.385 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.993 11.366 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.273 10.082 10.866 1.00 0.00 H new ATOM 1086 N PHE A 69 4.589 12.449 11.660 1.00 0.00 N ATOM 1087 CA PHE A 69 5.882 12.790 12.242 1.00 0.00 C ATOM 1088 C PHE A 69 6.546 13.925 11.466 1.00 0.00 C ATOM 1089 O PHE A 69 7.611 13.748 10.874 1.00 0.00 O ATOM 1090 CB PHE A 69 6.795 11.562 12.262 1.00 0.00 C ATOM 1091 CG PHE A 69 7.140 11.047 10.893 1.00 0.00 C ATOM 1092 CD1 PHE A 69 6.152 10.557 10.054 1.00 0.00 C ATOM 1093 CD2 PHE A 69 8.452 11.052 10.446 1.00 0.00 C ATOM 1094 CE1 PHE A 69 6.467 10.082 8.794 1.00 0.00 C ATOM 1095 CE2 PHE A 69 8.772 10.579 9.188 1.00 0.00 C ATOM 1096 CZ PHE A 69 7.778 10.094 8.361 1.00 0.00 C ATOM 0 H PHE A 69 4.563 12.481 10.641 1.00 0.00 H new ATOM 0 HA PHE A 69 5.716 13.125 13.266 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.715 11.812 12.790 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.309 10.767 12.828 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.125 10.546 10.388 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.233 11.430 11.089 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.688 9.702 8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.798 10.589 8.852 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.026 9.725 7.377 1.00 0.00 H new ATOM 1106 N ASN A 70 5.908 15.091 11.473 1.00 0.00 N ATOM 1107 CA ASN A 70 6.436 16.254 10.771 1.00 0.00 C ATOM 1108 C ASN A 70 7.768 16.694 11.371 1.00 0.00 C ATOM 1109 O ASN A 70 8.831 16.417 10.816 1.00 0.00 O ATOM 1110 CB ASN A 70 5.432 17.408 10.823 1.00 0.00 C ATOM 1111 CG ASN A 70 4.411 17.337 9.704 1.00 0.00 C ATOM 1112 OD1 ASN A 70 4.392 18.186 8.813 1.00 0.00 O ATOM 1113 ND2 ASN A 70 3.558 16.322 9.744 1.00 0.00 N ATOM 0 H ASN A 70 5.025 15.255 11.957 1.00 0.00 H new ATOM 0 HA ASN A 70 6.602 15.974 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.916 17.394 11.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.968 18.355 10.763 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.850 16.222 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.610 15.641 10.502 1.00 0.00 H new ATOM 1120 N LYS A 71 7.703 17.381 12.508 1.00 0.00 N ATOM 1121 CA LYS A 71 8.904 17.858 13.185 1.00 0.00 C ATOM 1122 C LYS A 71 9.748 18.724 12.254 1.00 0.00 C ATOM 1123 O LYS A 71 10.738 18.261 11.687 1.00 0.00 O ATOM 1124 CB LYS A 71 9.733 16.677 13.692 1.00 0.00 C ATOM 1125 CG LYS A 71 9.046 15.877 14.787 1.00 0.00 C ATOM 1126 CD LYS A 71 8.419 14.605 14.238 1.00 0.00 C ATOM 1127 CE LYS A 71 9.362 13.419 14.367 1.00 0.00 C ATOM 1128 NZ LYS A 71 9.027 12.568 15.542 1.00 0.00 N ATOM 0 H LYS A 71 6.831 17.620 12.980 1.00 0.00 H new ATOM 0 HA LYS A 71 8.593 18.466 14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.956 16.015 12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.686 17.048 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.770 15.622 15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.277 16.489 15.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.493 14.395 14.772 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.156 14.750 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.316 12.818 13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.387 13.779 14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.693 11.771 15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.096 13.134 16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.058 12.204 15.442 1.00 0.00 H new ATOM 1142 N MET A 72 9.348 19.982 12.100 1.00 0.00 N ATOM 1143 CA MET A 72 10.065 20.916 11.238 1.00 0.00 C ATOM 1144 C MET A 72 10.011 20.464 9.780 1.00 0.00 C ATOM 1145 O MET A 72 9.221 20.981 8.990 1.00 0.00 O ATOM 1146 CB MET A 72 11.520 21.054 11.693 1.00 0.00 C ATOM 1147 CG MET A 72 11.757 22.228 12.629 1.00 0.00 C ATOM 1148 SD MET A 72 13.491 22.717 12.706 1.00 0.00 S ATOM 1149 CE MET A 72 13.398 24.392 12.077 1.00 0.00 C ATOM 0 H MET A 72 8.530 20.379 12.562 1.00 0.00 H new ATOM 0 HA MET A 72 9.578 21.888 11.315 1.00 0.00 H new ATOM 0 HB2 MET A 72 11.824 20.134 12.193 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.157 21.165 10.816 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.159 23.077 12.299 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.413 21.965 13.629 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.395 24.831 12.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 12.993 24.379 11.065 1.00 0.00 H new ATOM 0 HE3 MET A 72 12.749 24.986 12.720 1.00 0.00 H new ATOM 1159 N TYR A 73 10.856 19.500 9.431 1.00 0.00 N ATOM 1160 CA TYR A 73 10.901 18.981 8.069 1.00 0.00 C ATOM 1161 C TYR A 73 11.423 17.547 8.049 1.00 0.00 C ATOM 1162 O TYR A 73 12.037 17.113 7.075 1.00 0.00 O ATOM 1163 CB TYR A 73 11.786 19.869 7.192 1.00 0.00 C ATOM 1164 CG TYR A 73 11.273 20.028 5.779 1.00 0.00 C ATOM 1165 CD1 TYR A 73 10.310 20.981 5.472 1.00 0.00 C ATOM 1166 CD2 TYR A 73 11.752 19.226 4.751 1.00 0.00 C ATOM 1167 CE1 TYR A 73 9.838 21.130 4.182 1.00 0.00 C ATOM 1168 CE2 TYR A 73 11.286 19.369 3.458 1.00 0.00 C ATOM 1169 CZ TYR A 73 10.329 20.322 3.178 1.00 0.00 C ATOM 1170 OH TYR A 73 9.863 20.466 1.892 1.00 0.00 O ATOM 0 H TYR A 73 11.518 19.063 10.072 1.00 0.00 H new ATOM 0 HA TYR A 73 9.886 18.985 7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.868 20.853 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.791 19.447 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.924 21.616 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.501 18.478 4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.088 21.875 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.669 18.737 2.670 1.00 0.00 H new ATOM 0 HH TYR A 73 10.312 19.821 1.307 1.00 0.00 H new ATOM 1180 N GLU A 74 11.177 16.816 9.134 1.00 0.00 N ATOM 1181 CA GLU A 74 11.622 15.433 9.247 1.00 0.00 C ATOM 1182 C GLU A 74 11.256 14.630 8.001 1.00 0.00 C ATOM 1183 O GLU A 74 11.989 13.729 7.594 1.00 0.00 O ATOM 1184 CB GLU A 74 11.008 14.779 10.486 1.00 0.00 C ATOM 1185 CG GLU A 74 11.698 13.488 10.898 1.00 0.00 C ATOM 1186 CD GLU A 74 13.032 13.732 11.578 1.00 0.00 C ATOM 1187 OE1 GLU A 74 13.043 13.917 12.813 1.00 0.00 O ATOM 1188 OE2 GLU A 74 14.064 13.738 10.874 1.00 0.00 O ATOM 0 H GLU A 74 10.670 17.162 9.949 1.00 0.00 H new ATOM 0 HA GLU A 74 12.708 15.438 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.049 15.484 11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.955 14.573 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.047 12.931 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.852 12.865 10.017 1.00 0.00 H new ATOM 1195 N LEU A 75 10.118 14.963 7.402 1.00 0.00 N ATOM 1196 CA LEU A 75 9.654 14.274 6.203 1.00 0.00 C ATOM 1197 C LEU A 75 10.664 14.415 5.069 1.00 0.00 C ATOM 1198 O LEU A 75 10.564 15.322 4.244 1.00 0.00 O ATOM 1199 CB LEU A 75 8.296 14.827 5.765 1.00 0.00 C ATOM 1200 CG LEU A 75 8.213 16.354 5.680 1.00 0.00 C ATOM 1201 CD1 LEU A 75 8.260 16.814 4.231 1.00 0.00 C ATOM 1202 CD2 LEU A 75 6.950 16.860 6.361 1.00 0.00 C ATOM 0 H LEU A 75 9.499 15.706 7.727 1.00 0.00 H new ATOM 0 HA LEU A 75 9.548 13.215 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.049 14.410 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.536 14.476 6.463 1.00 0.00 H new ATOM 0 HG LEU A 75 9.075 16.773 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.200 17.902 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.194 16.486 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.420 16.385 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.909 17.947 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.076 16.431 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.959 16.565 7.410 1.00 0.00 H new ATOM 1214 N TYR A 76 11.638 13.511 5.036 1.00 0.00 N ATOM 1215 CA TYR A 76 12.668 13.536 4.002 1.00 0.00 C ATOM 1216 C TYR A 76 13.103 12.122 3.632 1.00 0.00 C ATOM 1217 O TYR A 76 14.246 11.899 3.233 1.00 0.00 O ATOM 1218 CB TYR A 76 13.875 14.347 4.476 1.00 0.00 C ATOM 1219 CG TYR A 76 14.539 15.144 3.375 1.00 0.00 C ATOM 1220 CD1 TYR A 76 15.467 14.554 2.527 1.00 0.00 C ATOM 1221 CD2 TYR A 76 14.238 16.486 3.186 1.00 0.00 C ATOM 1222 CE1 TYR A 76 16.076 15.279 1.521 1.00 0.00 C ATOM 1223 CE2 TYR A 76 14.842 17.218 2.181 1.00 0.00 C ATOM 1224 CZ TYR A 76 15.760 16.610 1.352 1.00 0.00 C ATOM 1225 OH TYR A 76 16.364 17.336 0.351 1.00 0.00 O ATOM 0 H TYR A 76 11.736 12.753 5.712 1.00 0.00 H new ATOM 0 HA TYR A 76 12.246 14.009 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.557 15.028 5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 76 14.607 13.670 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.717 13.511 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.520 16.966 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.796 14.805 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.596 18.261 2.046 1.00 0.00 H new ATOM 0 HH TYR A 76 16.030 18.257 0.368 1.00 0.00 H new ATOM 1235 N ASP A 77 12.186 11.170 3.765 1.00 0.00 N ATOM 1236 CA ASP A 77 12.478 9.778 3.442 1.00 0.00 C ATOM 1237 C ASP A 77 12.159 9.483 1.978 1.00 0.00 C ATOM 1238 O ASP A 77 11.230 10.056 1.409 1.00 0.00 O ATOM 1239 CB ASP A 77 11.675 8.843 4.350 1.00 0.00 C ATOM 1240 CG ASP A 77 12.316 8.669 5.712 1.00 0.00 C ATOM 1241 OD1 ASP A 77 13.559 8.563 5.774 1.00 0.00 O ATOM 1242 OD2 ASP A 77 11.575 8.639 6.718 1.00 0.00 O ATOM 0 H ASP A 77 11.235 11.336 4.094 1.00 0.00 H new ATOM 0 HA ASP A 77 13.542 9.607 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.667 9.239 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.578 7.869 3.870 1.00 0.00 H new ATOM 1247 N PRO A 78 12.929 8.580 1.344 1.00 0.00 N ATOM 1248 CA PRO A 78 12.720 8.215 -0.061 1.00 0.00 C ATOM 1249 C PRO A 78 11.291 7.757 -0.332 1.00 0.00 C ATOM 1250 O PRO A 78 10.552 8.404 -1.072 1.00 0.00 O ATOM 1251 CB PRO A 78 13.706 7.065 -0.286 1.00 0.00 C ATOM 1252 CG PRO A 78 14.757 7.252 0.753 1.00 0.00 C ATOM 1253 CD PRO A 78 14.059 7.847 1.945 1.00 0.00 C ATOM 0 HA PRO A 78 12.879 9.061 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.215 6.098 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.131 7.100 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.226 6.302 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.548 7.911 0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.717 7.077 2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.716 8.511 2.506 1.00 0.00 H new ATOM 1261 N CYS A 79 10.907 6.635 0.273 1.00 0.00 N ATOM 1262 CA CYS A 79 9.564 6.087 0.099 1.00 0.00 C ATOM 1263 C CYS A 79 9.461 4.697 0.718 1.00 0.00 C ATOM 1264 O CYS A 79 10.463 4.120 1.142 1.00 0.00 O ATOM 1265 CB CYS A 79 9.196 6.023 -1.388 1.00 0.00 C ATOM 1266 SG CYS A 79 7.991 7.269 -1.903 1.00 0.00 S ATOM 0 H CYS A 79 11.508 6.087 0.889 1.00 0.00 H new ATOM 0 HA CYS A 79 8.864 6.749 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.103 6.142 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.797 5.033 -1.611 1.00 0.00 H new ATOM 0 HG CYS A 79 8.545 8.445 -1.877 1.00 0.00 H new ATOM 1272 N THR A 80 8.244 4.163 0.766 1.00 0.00 N ATOM 1273 CA THR A 80 8.005 2.839 1.330 1.00 0.00 C ATOM 1274 C THR A 80 6.523 2.480 1.255 1.00 0.00 C ATOM 1275 O THR A 80 5.665 3.273 1.641 1.00 0.00 O ATOM 1276 CB THR A 80 8.480 2.782 2.783 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.298 1.484 3.320 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.758 3.759 3.687 1.00 0.00 C ATOM 0 H THR A 80 7.405 4.629 0.420 1.00 0.00 H new ATOM 0 HA THR A 80 8.571 2.115 0.744 1.00 0.00 H new ATOM 0 HB THR A 80 9.536 3.052 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.609 1.468 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.142 3.667 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.921 4.775 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.690 3.539 3.682 1.00 0.00 H new ATOM 1286 N VAL A 81 6.228 1.284 0.756 1.00 0.00 N ATOM 1287 CA VAL A 81 4.845 0.831 0.633 1.00 0.00 C ATOM 1288 C VAL A 81 4.589 -0.406 1.491 1.00 0.00 C ATOM 1289 O VAL A 81 5.487 -1.214 1.719 1.00 0.00 O ATOM 1290 CB VAL A 81 4.487 0.510 -0.831 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.005 0.196 -0.963 1.00 0.00 C ATOM 1292 CG2 VAL A 81 4.877 1.665 -1.743 1.00 0.00 C ATOM 0 H VAL A 81 6.924 0.613 0.431 1.00 0.00 H new ATOM 0 HA VAL A 81 4.214 1.648 0.984 1.00 0.00 H new ATOM 0 HB VAL A 81 5.050 -0.371 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.772 -0.028 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.759 -0.666 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.420 1.056 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.616 1.420 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.343 2.565 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.951 1.838 -1.672 1.00 0.00 H new ATOM 1302 N MET A 82 3.353 -0.543 1.961 1.00 0.00 N ATOM 1303 CA MET A 82 2.968 -1.680 2.791 1.00 0.00 C ATOM 1304 C MET A 82 1.480 -1.978 2.636 1.00 0.00 C ATOM 1305 O MET A 82 0.721 -1.140 2.150 1.00 0.00 O ATOM 1306 CB MET A 82 3.294 -1.401 4.261 1.00 0.00 C ATOM 1307 CG MET A 82 4.660 -0.768 4.473 1.00 0.00 C ATOM 1308 SD MET A 82 4.998 -0.413 6.208 1.00 0.00 S ATOM 1309 CE MET A 82 5.020 -2.067 6.895 1.00 0.00 C ATOM 0 H MET A 82 2.599 0.120 1.781 1.00 0.00 H new ATOM 0 HA MET A 82 3.535 -2.551 2.462 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.530 -0.743 4.675 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.246 -2.336 4.819 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.430 -1.436 4.086 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.721 0.156 3.898 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.253 -2.016 7.959 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.043 -2.530 6.760 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.777 -2.663 6.385 1.00 0.00 H new ATOM 1319 N PHE A 83 1.065 -3.174 3.048 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.337 -3.564 2.945 1.00 0.00 C ATOM 1321 C PHE A 83 -0.910 -3.926 4.313 1.00 0.00 C ATOM 1322 O PHE A 83 -0.187 -4.370 5.204 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.499 -4.734 1.965 1.00 0.00 C ATOM 1324 CG PHE A 83 -0.117 -6.075 2.531 1.00 0.00 C ATOM 1325 CD1 PHE A 83 -0.976 -6.752 3.383 1.00 0.00 C ATOM 1326 CD2 PHE A 83 1.096 -6.661 2.205 1.00 0.00 C ATOM 1327 CE1 PHE A 83 -0.631 -7.987 3.900 1.00 0.00 C ATOM 1328 CE2 PHE A 83 1.445 -7.896 2.717 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.580 -8.558 3.567 1.00 0.00 C ATOM 0 H PHE A 83 1.675 -3.884 3.453 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.897 -2.711 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.537 -4.775 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.109 -4.539 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.926 -6.310 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.776 -6.146 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.308 -8.504 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.392 -8.343 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.852 -9.522 3.971 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.215 -3.728 4.468 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.892 -4.028 5.723 1.00 0.00 C ATOM 1341 C PHE A 84 -4.050 -4.994 5.498 1.00 0.00 C ATOM 1342 O PHE A 84 -4.655 -5.016 4.426 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.412 -2.739 6.365 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.325 -1.778 6.758 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.475 -1.241 5.804 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -2.155 -1.409 8.083 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -0.476 -0.357 6.163 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -1.159 -0.525 8.448 1.00 0.00 C ATOM 1349 CZ PHE A 84 -0.317 0.002 7.488 1.00 0.00 C ATOM 0 H PHE A 84 -2.825 -3.360 3.738 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.172 -4.498 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.088 -2.244 5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.996 -2.994 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.595 -1.517 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.809 -1.818 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.180 0.053 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.038 -0.246 9.484 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.463 0.693 7.772 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.352 -5.791 6.517 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.438 -6.759 6.435 1.00 0.00 C ATOM 1361 C PHE A 85 -6.084 -6.963 7.802 1.00 0.00 C ATOM 1362 O PHE A 85 -5.418 -6.872 8.833 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.921 -8.093 5.900 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.986 -9.145 5.777 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.918 -9.090 4.753 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.056 -10.189 6.686 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.900 -10.056 4.639 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -7.036 -11.157 6.576 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.959 -11.090 5.551 1.00 0.00 C ATOM 0 H PHE A 85 -3.859 -5.785 7.410 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.190 -6.369 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.467 -7.931 4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.135 -8.459 6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.877 -8.283 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.336 -10.247 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.621 -10.002 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.080 -11.965 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.726 -11.846 5.463 1.00 0.00 H new ATOM 1379 N ARG A 86 -7.384 -7.238 7.801 1.00 0.00 N ATOM 1380 CA ARG A 86 -8.123 -7.454 9.041 1.00 0.00 C ATOM 1381 C ARG A 86 -7.875 -6.321 10.033 1.00 0.00 C ATOM 1382 O ARG A 86 -7.892 -6.530 11.246 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.725 -8.792 9.668 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.882 -9.519 10.334 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.531 -10.517 9.389 1.00 0.00 C ATOM 1386 NE ARG A 86 -10.945 -10.721 9.696 1.00 0.00 N ATOM 1387 CZ ARG A 86 -11.384 -11.494 10.686 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -10.524 -12.137 11.468 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -12.686 -11.626 10.897 1.00 0.00 N ATOM 0 H ARG A 86 -7.949 -7.317 6.955 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.186 -7.472 8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.300 -9.433 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.942 -8.619 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.523 -10.038 11.223 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.625 -8.794 10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.430 -10.163 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.005 -11.470 9.451 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.636 -10.243 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.521 -12.040 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.867 -12.728 12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.352 -11.135 10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.022 -12.219 11.656 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.643 -5.122 9.507 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.390 -3.954 10.345 1.00 0.00 C ATOM 1405 C ASN A 87 -6.086 -4.116 11.122 1.00 0.00 C ATOM 1406 O ASN A 87 -6.044 -3.910 12.336 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.554 -3.728 11.312 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.568 -2.322 11.881 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.702 -1.344 11.146 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.429 -2.215 13.198 1.00 0.00 N ATOM 0 H ASN A 87 -7.625 -4.934 8.505 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.298 -3.084 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.495 -3.917 10.795 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.489 -4.447 12.129 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.431 -1.295 13.638 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.321 -3.053 13.769 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.024 -4.486 10.415 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.719 -4.677 11.038 1.00 0.00 C ATOM 1419 C LYS A 88 -2.598 -4.242 10.098 1.00 0.00 C ATOM 1420 O LYS A 88 -2.814 -4.062 8.900 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.528 -6.141 11.435 1.00 0.00 C ATOM 1422 CG LYS A 88 -4.286 -6.535 12.693 1.00 0.00 C ATOM 1423 CD LYS A 88 -4.666 -8.006 12.676 1.00 0.00 C ATOM 1424 CE LYS A 88 -5.799 -8.300 13.645 1.00 0.00 C ATOM 1425 NZ LYS A 88 -6.466 -9.597 13.346 1.00 0.00 N ATOM 0 H LYS A 88 -5.041 -4.660 9.410 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.679 -4.058 11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.852 -6.777 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.466 -6.332 11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.672 -6.327 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.186 -5.927 12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.964 -8.294 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.797 -8.610 12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.410 -8.319 14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.533 -7.496 13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.332 -9.681 13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.710 -9.637 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.822 -10.380 13.578 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.400 -4.076 10.650 1.00 0.00 N ATOM 1440 CA HIS A 89 -0.245 -3.663 9.863 1.00 0.00 C ATOM 1441 C HIS A 89 0.537 -4.875 9.366 1.00 0.00 C ATOM 1442 O HIS A 89 0.803 -5.807 10.124 1.00 0.00 O ATOM 1443 CB HIS A 89 0.668 -2.759 10.693 1.00 0.00 C ATOM 1444 CG HIS A 89 -0.052 -1.620 11.348 1.00 0.00 C ATOM 1445 ND1 HIS A 89 0.415 -0.323 11.326 1.00 0.00 N ATOM 1446 CD2 HIS A 89 -1.211 -1.589 12.047 1.00 0.00 C ATOM 1447 CE1 HIS A 89 -0.425 0.456 11.984 1.00 0.00 C ATOM 1448 NE2 HIS A 89 -1.420 -0.287 12.430 1.00 0.00 N ATOM 0 H HIS A 89 -1.204 -4.222 11.640 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.607 -3.107 8.998 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.158 -3.358 11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.453 -2.360 10.050 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.852 -2.431 12.263 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.316 1.520 12.132 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.216 0.051 12.972 1.00 0.00 H new ATOM 1457 N ILE A 90 0.902 -4.855 8.087 1.00 0.00 N ATOM 1458 CA ILE A 90 1.654 -5.953 7.493 1.00 0.00 C ATOM 1459 C ILE A 90 2.743 -5.434 6.559 1.00 0.00 C ATOM 1460 O ILE A 90 2.476 -4.636 5.658 1.00 0.00 O ATOM 1461 CB ILE A 90 0.736 -6.911 6.709 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.540 -7.198 7.503 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.470 -8.204 6.391 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.293 -7.943 8.797 1.00 0.00 C ATOM 0 H ILE A 90 0.689 -4.092 7.444 1.00 0.00 H new ATOM 0 HA ILE A 90 2.114 -6.498 8.317 1.00 0.00 H new ATOM 0 HB ILE A 90 0.456 -6.433 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.039 -6.255 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.221 -7.780 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.809 -8.871 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.351 -7.983 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.777 -8.686 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.242 -8.112 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.178 -8.902 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.363 -7.353 9.437 1.00 0.00 H new ATOM 1476 N MET A 91 3.970 -5.894 6.781 1.00 0.00 N ATOM 1477 CA MET A 91 5.106 -5.482 5.965 1.00 0.00 C ATOM 1478 C MET A 91 4.882 -5.842 4.497 1.00 0.00 C ATOM 1479 O MET A 91 3.748 -6.067 4.072 1.00 0.00 O ATOM 1480 CB MET A 91 6.391 -6.139 6.481 1.00 0.00 C ATOM 1481 CG MET A 91 6.526 -6.106 7.995 1.00 0.00 C ATOM 1482 SD MET A 91 6.177 -7.702 8.761 1.00 0.00 S ATOM 1483 CE MET A 91 4.948 -7.233 9.975 1.00 0.00 C ATOM 0 H MET A 91 4.203 -6.555 7.522 1.00 0.00 H new ATOM 0 HA MET A 91 5.206 -4.399 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.420 -7.175 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.250 -5.636 6.037 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.537 -5.794 8.259 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.846 -5.357 8.400 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.965 -7.942 10.802 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.169 -6.234 10.350 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.961 -7.237 9.513 1.00 0.00 H new ATOM 1493 N ILE A 92 5.967 -5.890 3.724 1.00 0.00 N ATOM 1494 CA ILE A 92 5.890 -6.219 2.304 1.00 0.00 C ATOM 1495 C ILE A 92 5.290 -5.068 1.506 1.00 0.00 C ATOM 1496 O ILE A 92 4.204 -4.580 1.819 1.00 0.00 O ATOM 1497 CB ILE A 92 5.056 -7.491 2.055 1.00 0.00 C ATOM 1498 CG1 ILE A 92 5.504 -8.615 2.993 1.00 0.00 C ATOM 1499 CG2 ILE A 92 5.175 -7.925 0.601 1.00 0.00 C ATOM 1500 CD1 ILE A 92 4.593 -8.807 4.186 1.00 0.00 C ATOM 0 H ILE A 92 6.912 -5.704 4.060 1.00 0.00 H new ATOM 0 HA ILE A 92 6.912 -6.399 1.971 1.00 0.00 H new ATOM 0 HB ILE A 92 4.009 -7.268 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.554 -9.548 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.512 -8.401 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.581 -8.825 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.810 -7.128 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.219 -8.133 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.972 -9.619 4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.561 -7.888 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.589 -9.052 3.841 1.00 0.00 H new ATOM 1512 N ASP A 93 6.006 -4.638 0.472 1.00 0.00 N ATOM 1513 CA ASP A 93 5.548 -3.543 -0.374 1.00 0.00 C ATOM 1514 C ASP A 93 4.802 -4.073 -1.595 1.00 0.00 C ATOM 1515 O ASP A 93 4.506 -5.263 -1.686 1.00 0.00 O ATOM 1516 CB ASP A 93 6.736 -2.688 -0.819 1.00 0.00 C ATOM 1517 CG ASP A 93 7.605 -2.256 0.346 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.105 -3.139 1.074 1.00 0.00 O ATOM 1519 OD2 ASP A 93 7.786 -1.034 0.530 1.00 0.00 O ATOM 0 H ASP A 93 6.907 -5.032 0.200 1.00 0.00 H new ATOM 0 HA ASP A 93 4.862 -2.928 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.340 -3.252 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.369 -1.805 -1.342 1.00 0.00 H new ATOM 1524 N LEU A 94 4.501 -3.178 -2.531 1.00 0.00 N ATOM 1525 CA LEU A 94 3.788 -3.553 -3.747 1.00 0.00 C ATOM 1526 C LEU A 94 4.573 -4.593 -4.541 1.00 0.00 C ATOM 1527 O LEU A 94 3.999 -5.524 -5.103 1.00 0.00 O ATOM 1528 CB LEU A 94 3.533 -2.319 -4.615 1.00 0.00 C ATOM 1529 CG LEU A 94 2.311 -1.490 -4.220 1.00 0.00 C ATOM 1530 CD1 LEU A 94 2.271 -0.190 -5.009 1.00 0.00 C ATOM 1531 CD2 LEU A 94 1.035 -2.289 -4.439 1.00 0.00 C ATOM 0 H LEU A 94 4.740 -2.188 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 94 2.832 -3.989 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.415 -1.679 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.416 -2.640 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 94 2.386 -1.245 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.394 0.387 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.172 0.388 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.218 -0.413 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.174 -1.685 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.953 -2.563 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.063 -3.193 -3.830 1.00 0.00 H new ATOM 1543 N GLY A 95 5.891 -4.425 -4.583 1.00 0.00 N ATOM 1544 CA GLY A 95 6.735 -5.355 -5.310 1.00 0.00 C ATOM 1545 C GLY A 95 7.490 -6.294 -4.391 1.00 0.00 C ATOM 1546 O GLY A 95 6.970 -6.711 -3.356 1.00 0.00 O ATOM 0 H GLY A 95 6.389 -3.661 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.120 -5.939 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.447 -4.796 -5.917 1.00 0.00 H new ATOM 1550 N THR A 96 8.720 -6.627 -4.770 1.00 0.00 N ATOM 1551 CA THR A 96 9.548 -7.523 -3.971 1.00 0.00 C ATOM 1552 C THR A 96 10.328 -6.747 -2.915 1.00 0.00 C ATOM 1553 O THR A 96 10.618 -5.562 -3.089 1.00 0.00 O ATOM 1554 CB THR A 96 10.515 -8.294 -4.871 1.00 0.00 C ATOM 1555 OG1 THR A 96 11.277 -9.218 -4.113 1.00 0.00 O ATOM 1556 CG2 THR A 96 11.484 -7.400 -5.614 1.00 0.00 C ATOM 0 H THR A 96 9.165 -6.290 -5.624 1.00 0.00 H new ATOM 0 HA THR A 96 8.891 -8.230 -3.464 1.00 0.00 H new ATOM 0 HB THR A 96 9.886 -8.805 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.888 -9.703 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.141 -8.011 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.928 -6.708 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.082 -6.837 -4.898 1.00 0.00 H new ATOM 1564 N GLY A 97 10.666 -7.421 -1.821 1.00 0.00 N ATOM 1565 CA GLY A 97 11.410 -6.778 -0.754 1.00 0.00 C ATOM 1566 C GLY A 97 11.225 -7.471 0.582 1.00 0.00 C ATOM 1567 O GLY A 97 10.101 -7.775 0.981 1.00 0.00 O ATOM 0 H GLY A 97 10.438 -8.401 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.469 -6.766 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.091 -5.739 -0.668 1.00 0.00 H new ATOM 1571 N ASN A 98 12.331 -7.723 1.273 1.00 0.00 N ATOM 1572 CA ASN A 98 12.286 -8.386 2.571 1.00 0.00 C ATOM 1573 C ASN A 98 13.120 -7.627 3.599 1.00 0.00 C ATOM 1574 O ASN A 98 12.585 -7.060 4.551 1.00 0.00 O ATOM 1575 CB ASN A 98 12.792 -9.825 2.451 1.00 0.00 C ATOM 1576 CG ASN A 98 12.643 -10.600 3.746 1.00 0.00 C ATOM 1577 OD1 ASN A 98 13.595 -11.214 4.228 1.00 0.00 O ATOM 1578 ND2 ASN A 98 11.444 -10.576 4.315 1.00 0.00 N ATOM 0 H ASN A 98 13.269 -7.478 0.956 1.00 0.00 H new ATOM 0 HA ASN A 98 11.249 -8.399 2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.243 -10.336 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 98 13.841 -9.815 2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.283 -11.080 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.683 -10.054 3.880 1.00 0.00 H new ATOM 1585 N ASN A 99 14.434 -7.620 3.399 1.00 0.00 N ATOM 1586 CA ASN A 99 15.342 -6.930 4.308 1.00 0.00 C ATOM 1587 C ASN A 99 15.341 -5.428 4.041 1.00 0.00 C ATOM 1588 O ASN A 99 15.528 -4.625 4.955 1.00 0.00 O ATOM 1589 CB ASN A 99 16.761 -7.484 4.163 1.00 0.00 C ATOM 1590 CG ASN A 99 17.033 -8.631 5.116 1.00 0.00 C ATOM 1591 OD1 ASN A 99 16.571 -9.752 4.906 1.00 0.00 O ATOM 1592 ND2 ASN A 99 17.789 -8.354 6.174 1.00 0.00 N ATOM 0 H ASN A 99 14.894 -8.084 2.616 1.00 0.00 H new ATOM 0 HA ASN A 99 14.995 -7.100 5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.913 -7.823 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 99 17.480 -6.686 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.007 -9.085 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.151 -7.410 6.309 1.00 0.00 H new ATOM 1599 N ASN A 100 15.128 -5.056 2.783 1.00 0.00 N ATOM 1600 CA ASN A 100 15.102 -3.649 2.396 1.00 0.00 C ATOM 1601 C ASN A 100 13.769 -3.288 1.749 1.00 0.00 C ATOM 1602 O ASN A 100 13.563 -3.520 0.557 1.00 0.00 O ATOM 1603 CB ASN A 100 16.250 -3.344 1.431 1.00 0.00 C ATOM 1604 CG ASN A 100 17.534 -2.987 2.155 1.00 0.00 C ATOM 1605 OD1 ASN A 100 17.595 -3.009 3.384 1.00 0.00 O ATOM 1606 ND2 ASN A 100 18.570 -2.652 1.394 1.00 0.00 N ATOM 0 H ASN A 100 14.971 -5.708 2.014 1.00 0.00 H new ATOM 0 HA ASN A 100 15.223 -3.047 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.425 -4.210 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.963 -2.520 0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.459 -2.400 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.476 -2.647 0.378 1.00 0.00 H new ATOM 1613 N LYS A 101 12.866 -2.721 2.544 1.00 0.00 N ATOM 1614 CA LYS A 101 11.550 -2.329 2.056 1.00 0.00 C ATOM 1615 C LYS A 101 11.658 -1.503 0.777 1.00 0.00 C ATOM 1616 O LYS A 101 12.545 -0.659 0.644 1.00 0.00 O ATOM 1617 CB LYS A 101 10.804 -1.533 3.128 1.00 0.00 C ATOM 1618 CG LYS A 101 11.589 -0.348 3.663 1.00 0.00 C ATOM 1619 CD LYS A 101 12.316 -0.697 4.952 1.00 0.00 C ATOM 1620 CE LYS A 101 12.367 0.488 5.902 1.00 0.00 C ATOM 1621 NZ LYS A 101 12.800 0.087 7.269 1.00 0.00 N ATOM 0 H LYS A 101 13.024 -2.523 3.532 1.00 0.00 H new ATOM 0 HA LYS A 101 10.993 -3.238 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.861 -1.176 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.557 -2.198 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.310 -0.020 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.912 0.488 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.814 -1.533 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.330 -1.024 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.053 1.238 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.383 0.953 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.822 0.924 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.131 -0.610 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.750 -0.334 7.223 1.00 0.00 H new ATOM 1635 N ILE A 102 10.749 -1.751 -0.160 1.00 0.00 N ATOM 1636 CA ILE A 102 10.741 -1.031 -1.427 1.00 0.00 C ATOM 1637 C ILE A 102 10.587 0.470 -1.206 1.00 0.00 C ATOM 1638 O ILE A 102 9.477 0.969 -1.018 1.00 0.00 O ATOM 1639 CB ILE A 102 9.609 -1.524 -2.350 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.683 -3.045 -2.509 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.689 -0.836 -3.707 1.00 0.00 C ATOM 1642 CD1 ILE A 102 8.716 -3.601 -3.532 1.00 0.00 C ATOM 0 H ILE A 102 10.008 -2.446 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 102 11.700 -1.228 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 102 8.651 -1.269 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.698 -3.322 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.485 -3.512 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.882 -1.196 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.594 0.242 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.648 -1.061 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.828 -4.684 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.695 -3.356 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.927 -3.164 -4.508 1.00 0.00 H new ATOM 1654 N ASN A 103 11.707 1.183 -1.232 1.00 0.00 N ATOM 1655 CA ASN A 103 11.697 2.628 -1.039 1.00 0.00 C ATOM 1656 C ASN A 103 12.014 3.348 -2.346 1.00 0.00 C ATOM 1657 O ASN A 103 11.527 4.452 -2.592 1.00 0.00 O ATOM 1658 CB ASN A 103 12.711 3.026 0.036 1.00 0.00 C ATOM 1659 CG ASN A 103 12.506 2.269 1.333 1.00 0.00 C ATOM 1660 OD1 ASN A 103 11.551 1.505 1.475 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.403 2.478 2.289 1.00 0.00 N ATOM 0 H ASN A 103 12.633 0.784 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 103 10.700 2.923 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.720 2.841 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.633 4.096 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.316 1.997 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.179 3.120 2.129 1.00 0.00 H new ATOM 1668 N TRP A 104 12.832 2.714 -3.180 1.00 0.00 N ATOM 1669 CA TRP A 104 13.215 3.290 -4.464 1.00 0.00 C ATOM 1670 C TRP A 104 12.294 2.802 -5.581 1.00 0.00 C ATOM 1671 O TRP A 104 12.173 3.446 -6.623 1.00 0.00 O ATOM 1672 CB TRP A 104 14.667 2.935 -4.793 1.00 0.00 C ATOM 1673 CG TRP A 104 14.915 1.459 -4.864 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.845 0.669 -5.975 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.271 0.596 -3.778 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.138 -0.634 -5.646 1.00 0.00 N ATOM 1677 CE2 TRP A 104 15.402 -0.703 -4.303 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.494 0.796 -2.412 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 15.745 -1.796 -3.511 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 15.835 -0.290 -1.628 1.00 0.00 C ATOM 1681 CH2 TRP A 104 15.957 -1.572 -2.178 1.00 0.00 C ATOM 0 H TRP A 104 13.243 1.800 -2.989 1.00 0.00 H new ATOM 0 HA TRP A 104 13.120 4.373 -4.389 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.937 3.388 -5.747 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.320 3.370 -4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.596 1.016 -6.967 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.156 -1.420 -6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.402 1.781 -1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.840 -2.785 -3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.011 -0.147 -0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.224 -2.400 -1.538 1.00 0.00 H new ATOM 1692 N ALA A 105 11.650 1.660 -5.356 1.00 0.00 N ATOM 1693 CA ALA A 105 10.740 1.085 -6.342 1.00 0.00 C ATOM 1694 C ALA A 105 11.484 0.672 -7.607 1.00 0.00 C ATOM 1695 O ALA A 105 12.372 1.383 -8.078 1.00 0.00 O ATOM 1696 CB ALA A 105 9.629 2.070 -6.676 1.00 0.00 C ATOM 0 H ALA A 105 11.742 1.114 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 105 10.296 0.189 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.959 1.627 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.069 2.307 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.063 2.983 -7.084 1.00 0.00 H new ATOM 1702 N MET A 106 11.114 -0.482 -8.152 1.00 0.00 N ATOM 1703 CA MET A 106 11.741 -1.001 -9.364 1.00 0.00 C ATOM 1704 C MET A 106 11.152 -2.358 -9.738 1.00 0.00 C ATOM 1705 O MET A 106 10.612 -3.065 -8.888 1.00 0.00 O ATOM 1706 CB MET A 106 13.255 -1.125 -9.173 1.00 0.00 C ATOM 1707 CG MET A 106 14.058 -0.719 -10.398 1.00 0.00 C ATOM 1708 SD MET A 106 14.449 1.042 -10.419 1.00 0.00 S ATOM 1709 CE MET A 106 16.231 0.994 -10.250 1.00 0.00 C ATOM 0 H MET A 106 10.379 -1.079 -7.772 1.00 0.00 H new ATOM 0 HA MET A 106 11.543 -0.299 -10.174 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.558 -0.506 -8.329 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.497 -2.156 -8.916 1.00 0.00 H new ATOM 0 HG2 MET A 106 14.984 -1.293 -10.428 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.496 -0.973 -11.297 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.624 2.011 -10.246 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.495 0.500 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.661 0.442 -11.086 1.00 0.00 H new ATOM 1719 N GLU A 107 11.257 -2.716 -11.016 1.00 0.00 N ATOM 1720 CA GLU A 107 10.731 -3.991 -11.501 1.00 0.00 C ATOM 1721 C GLU A 107 9.203 -4.002 -11.497 1.00 0.00 C ATOM 1722 O GLU A 107 8.580 -5.046 -11.697 1.00 0.00 O ATOM 1723 CB GLU A 107 11.256 -5.140 -10.641 1.00 0.00 C ATOM 1724 CG GLU A 107 11.690 -6.356 -11.443 1.00 0.00 C ATOM 1725 CD GLU A 107 10.612 -7.419 -11.519 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.639 -7.225 -12.279 1.00 0.00 O ATOM 1727 OE2 GLU A 107 10.740 -8.445 -10.819 1.00 0.00 O ATOM 0 H GLU A 107 11.701 -2.143 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 107 11.071 -4.120 -12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.101 -4.784 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.480 -5.439 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.959 -6.044 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.586 -6.783 -10.992 1.00 0.00 H new ATOM 1734 N ASP A 108 8.605 -2.839 -11.263 1.00 0.00 N ATOM 1735 CA ASP A 108 7.152 -2.712 -11.226 1.00 0.00 C ATOM 1736 C ASP A 108 6.514 -3.284 -12.489 1.00 0.00 C ATOM 1737 O ASP A 108 7.169 -3.415 -13.522 1.00 0.00 O ATOM 1738 CB ASP A 108 6.754 -1.245 -11.062 1.00 0.00 C ATOM 1739 CG ASP A 108 6.577 -0.851 -9.608 1.00 0.00 C ATOM 1740 OD1 ASP A 108 6.409 -1.757 -8.765 1.00 0.00 O ATOM 1741 OD2 ASP A 108 6.606 0.361 -9.313 1.00 0.00 O ATOM 0 H ASP A 108 9.106 -1.967 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 108 6.788 -3.282 -10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.516 -0.612 -11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.824 -1.062 -11.601 1.00 0.00 H new ATOM 1746 N LYS A 109 5.229 -3.631 -12.384 1.00 0.00 N ATOM 1747 CA LYS A 109 4.466 -4.201 -13.499 1.00 0.00 C ATOM 1748 C LYS A 109 4.608 -5.718 -13.526 1.00 0.00 C ATOM 1749 O LYS A 109 3.629 -6.440 -13.705 1.00 0.00 O ATOM 1750 CB LYS A 109 4.911 -3.607 -14.840 1.00 0.00 C ATOM 1751 CG LYS A 109 3.864 -3.730 -15.936 1.00 0.00 C ATOM 1752 CD LYS A 109 3.945 -2.571 -16.916 1.00 0.00 C ATOM 1753 CE LYS A 109 2.921 -1.494 -16.592 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.426 -0.132 -16.915 1.00 0.00 N ATOM 0 H LYS A 109 4.688 -3.525 -11.526 1.00 0.00 H new ATOM 0 HA LYS A 109 3.417 -3.947 -13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.155 -2.554 -14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.825 -4.106 -15.164 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.003 -4.670 -16.470 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.870 -3.762 -15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.946 -2.141 -16.891 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.781 -2.938 -17.929 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.005 -1.684 -17.152 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.664 -1.544 -15.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.698 0.573 -16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.286 0.060 -16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.647 -0.075 -17.930 1.00 0.00 H new ATOM 1768 N GLN A 110 5.833 -6.191 -13.342 1.00 0.00 N ATOM 1769 CA GLN A 110 6.114 -7.620 -13.337 1.00 0.00 C ATOM 1770 C GLN A 110 5.997 -8.187 -11.925 1.00 0.00 C ATOM 1771 O GLN A 110 5.032 -8.881 -11.597 1.00 0.00 O ATOM 1772 CB GLN A 110 7.515 -7.873 -13.890 1.00 0.00 C ATOM 1773 CG GLN A 110 7.519 -8.532 -15.260 1.00 0.00 C ATOM 1774 CD GLN A 110 8.889 -9.053 -15.651 1.00 0.00 C ATOM 1775 OE1 GLN A 110 9.641 -9.547 -14.813 1.00 0.00 O ATOM 1776 NE2 GLN A 110 9.218 -8.943 -16.933 1.00 0.00 N ATOM 0 H GLN A 110 6.652 -5.602 -13.193 1.00 0.00 H new ATOM 0 HA GLN A 110 5.382 -8.122 -13.970 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.049 -6.925 -13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.064 -8.504 -13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.806 -9.356 -15.265 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.181 -7.813 -16.006 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.562 -8.526 -17.594 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.126 -9.275 -17.257 1.00 0.00 H new ATOM 1785 N GLU A 111 6.986 -7.879 -11.091 1.00 0.00 N ATOM 1786 CA GLU A 111 6.997 -8.349 -9.710 1.00 0.00 C ATOM 1787 C GLU A 111 5.695 -7.982 -9.005 1.00 0.00 C ATOM 1788 O GLU A 111 5.260 -8.673 -8.084 1.00 0.00 O ATOM 1789 CB GLU A 111 8.187 -7.753 -8.955 1.00 0.00 C ATOM 1790 CG GLU A 111 8.839 -8.726 -7.985 1.00 0.00 C ATOM 1791 CD GLU A 111 10.354 -8.704 -8.066 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.919 -7.616 -8.302 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.973 -9.775 -7.894 1.00 0.00 O ATOM 0 H GLU A 111 7.790 -7.306 -11.348 1.00 0.00 H new ATOM 0 HA GLU A 111 7.092 -9.435 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.932 -7.416 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.854 -6.872 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.530 -8.482 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.482 -9.735 -8.193 1.00 0.00 H new ATOM 1800 N MET A 112 5.077 -6.894 -9.450 1.00 0.00 N ATOM 1801 CA MET A 112 3.823 -6.438 -8.867 1.00 0.00 C ATOM 1802 C MET A 112 2.715 -7.455 -9.118 1.00 0.00 C ATOM 1803 O MET A 112 1.946 -7.785 -8.218 1.00 0.00 O ATOM 1804 CB MET A 112 3.429 -5.079 -9.450 1.00 0.00 C ATOM 1805 CG MET A 112 3.936 -3.899 -8.636 1.00 0.00 C ATOM 1806 SD MET A 112 3.590 -2.315 -9.423 1.00 0.00 S ATOM 1807 CE MET A 112 3.259 -1.291 -7.992 1.00 0.00 C ATOM 0 H MET A 112 5.425 -6.312 -10.212 1.00 0.00 H new ATOM 0 HA MET A 112 3.963 -6.333 -7.791 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.816 -5.002 -10.466 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.343 -5.023 -9.518 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.475 -3.918 -7.649 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.011 -4.000 -8.488 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.273 -0.241 -8.285 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.279 -1.541 -7.585 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.023 -1.467 -7.234 1.00 0.00 H new ATOM 1817 N VAL A 113 2.641 -7.951 -10.348 1.00 0.00 N ATOM 1818 CA VAL A 113 1.628 -8.932 -10.714 1.00 0.00 C ATOM 1819 C VAL A 113 1.768 -10.201 -9.879 1.00 0.00 C ATOM 1820 O VAL A 113 0.774 -10.817 -9.496 1.00 0.00 O ATOM 1821 CB VAL A 113 1.715 -9.300 -12.210 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.678 -10.354 -12.571 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.544 -8.063 -13.075 1.00 0.00 C ATOM 0 H VAL A 113 3.270 -7.690 -11.107 1.00 0.00 H new ATOM 0 HA VAL A 113 0.658 -8.475 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 113 2.703 -9.719 -12.399 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.759 -10.597 -13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.851 -11.253 -11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.320 -9.969 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.608 -8.343 -14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.571 -7.613 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.330 -7.345 -12.842 1.00 0.00 H new ATOM 1833 N ASP A 114 3.009 -10.594 -9.608 1.00 0.00 N ATOM 1834 CA ASP A 114 3.271 -11.800 -8.828 1.00 0.00 C ATOM 1835 C ASP A 114 3.107 -11.552 -7.332 1.00 0.00 C ATOM 1836 O ASP A 114 2.549 -12.383 -6.615 1.00 0.00 O ATOM 1837 CB ASP A 114 4.681 -12.319 -9.117 1.00 0.00 C ATOM 1838 CG ASP A 114 4.780 -12.998 -10.470 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.447 -14.198 -10.558 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.192 -12.328 -11.441 1.00 0.00 O ATOM 0 H ASP A 114 3.846 -10.098 -9.915 1.00 0.00 H new ATOM 0 HA ASP A 114 2.538 -12.550 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.386 -11.489 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.973 -13.023 -8.338 1.00 0.00 H new ATOM 1845 N ILE A 115 3.599 -10.413 -6.861 1.00 0.00 N ATOM 1846 CA ILE A 115 3.509 -10.071 -5.447 1.00 0.00 C ATOM 1847 C ILE A 115 2.076 -9.729 -5.054 1.00 0.00 C ATOM 1848 O ILE A 115 1.519 -10.314 -4.126 1.00 0.00 O ATOM 1849 CB ILE A 115 4.443 -8.885 -5.098 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.825 -9.404 -4.691 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.855 -8.022 -3.983 1.00 0.00 C ATOM 1852 CD1 ILE A 115 6.472 -10.294 -5.732 1.00 0.00 C ATOM 0 H ILE A 115 4.064 -9.711 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 115 3.828 -10.947 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 115 4.541 -8.262 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.479 -8.554 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.734 -9.959 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.535 -7.199 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.893 -7.622 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.717 -8.628 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 115 7.447 -10.623 -5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.839 -11.163 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.596 -9.737 -6.661 1.00 0.00 H new ATOM 1864 N ILE A 116 1.494 -8.764 -5.754 1.00 0.00 N ATOM 1865 CA ILE A 116 0.135 -8.330 -5.465 1.00 0.00 C ATOM 1866 C ILE A 116 -0.856 -9.485 -5.591 1.00 0.00 C ATOM 1867 O ILE A 116 -1.818 -9.570 -4.830 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.296 -7.169 -6.389 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.527 -5.916 -6.082 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.784 -6.877 -6.237 1.00 0.00 C ATOM 1871 CD1 ILE A 116 1.216 -5.331 -7.295 1.00 0.00 C ATOM 0 H ILE A 116 1.942 -8.268 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 116 0.128 -7.975 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.113 -7.467 -7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.126 -5.160 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.278 -6.160 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.063 -6.056 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.358 -7.766 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.997 -6.600 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.780 -4.446 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.896 -6.070 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.469 -5.055 -8.040 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.622 -10.368 -6.554 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.504 -11.510 -6.767 1.00 0.00 C ATOM 1885 C GLU A 117 -1.495 -12.441 -5.557 1.00 0.00 C ATOM 1886 O GLU A 117 -2.537 -12.954 -5.149 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.087 -12.278 -8.024 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.918 -13.526 -8.281 1.00 0.00 C ATOM 1889 CD GLU A 117 -2.114 -13.800 -9.759 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -1.192 -14.361 -10.388 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -3.191 -13.454 -10.290 1.00 0.00 O ATOM 0 H GLU A 117 0.168 -10.316 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.518 -11.133 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.165 -11.616 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.039 -12.562 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.431 -14.384 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.891 -13.415 -7.803 1.00 0.00 H new ATOM 1898 N THR A 118 -0.313 -12.658 -4.991 1.00 0.00 N ATOM 1899 CA THR A 118 -0.168 -13.531 -3.831 1.00 0.00 C ATOM 1900 C THR A 118 -0.579 -12.820 -2.544 1.00 0.00 C ATOM 1901 O THR A 118 -1.090 -13.446 -1.617 1.00 0.00 O ATOM 1902 CB THR A 118 1.276 -14.021 -3.715 1.00 0.00 C ATOM 1903 OG1 THR A 118 1.788 -14.380 -4.986 1.00 0.00 O ATOM 1904 CG2 THR A 118 1.430 -15.220 -2.805 1.00 0.00 C ATOM 0 H THR A 118 0.559 -12.241 -5.316 1.00 0.00 H new ATOM 0 HA THR A 118 -0.830 -14.386 -3.973 1.00 0.00 H new ATOM 0 HB THR A 118 1.830 -13.186 -3.287 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.101 -13.576 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.478 -15.516 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.090 -14.962 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.833 -16.047 -3.189 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.348 -11.512 -2.493 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.692 -10.723 -1.314 1.00 0.00 C ATOM 1914 C VAL A 119 -2.191 -10.447 -1.247 1.00 0.00 C ATOM 1915 O VAL A 119 -2.843 -10.745 -0.247 1.00 0.00 O ATOM 1916 CB VAL A 119 0.067 -9.382 -1.294 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.203 -8.631 0.002 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.560 -9.610 -1.483 1.00 0.00 C ATOM 0 H VAL A 119 0.075 -10.977 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.398 -11.313 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.293 -8.772 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.342 -7.687 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.271 -8.433 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.126 -9.235 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.079 -8.652 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.936 -10.241 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.735 -10.101 -2.441 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.731 -9.870 -2.315 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.152 -9.546 -2.375 1.00 0.00 C ATOM 1930 C TYR A 120 -5.009 -10.795 -2.191 1.00 0.00 C ATOM 1931 O TYR A 120 -6.068 -10.746 -1.567 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.490 -8.876 -3.709 1.00 0.00 C ATOM 1933 CG TYR A 120 -4.069 -7.422 -3.797 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -3.081 -6.905 -2.964 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.662 -6.566 -4.717 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -2.698 -5.580 -3.048 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -4.283 -5.239 -4.807 1.00 0.00 C ATOM 1938 CZ TYR A 120 -3.302 -4.752 -3.970 1.00 0.00 C ATOM 1939 OH TYR A 120 -2.923 -3.432 -4.056 1.00 0.00 O ATOM 0 H TYR A 120 -2.206 -9.617 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.372 -8.855 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.009 -9.431 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.565 -8.942 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.606 -7.550 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.432 -6.944 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -1.929 -5.195 -2.395 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.753 -4.588 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 120 -3.444 -2.987 -4.756 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.544 -11.911 -2.739 1.00 0.00 N ATOM 1950 CA ARG A 121 -5.270 -13.172 -2.634 1.00 0.00 C ATOM 1951 C ARG A 121 -4.855 -13.938 -1.383 1.00 0.00 C ATOM 1952 O ARG A 121 -5.668 -14.625 -0.765 1.00 0.00 O ATOM 1953 CB ARG A 121 -5.027 -14.030 -3.876 1.00 0.00 C ATOM 1954 CG ARG A 121 -5.526 -13.393 -5.164 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.961 -14.444 -6.173 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.845 -14.918 -6.987 1.00 0.00 N ATOM 1957 CZ ARG A 121 -4.990 -15.559 -8.143 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -6.202 -15.804 -8.627 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -3.921 -15.956 -8.821 1.00 0.00 N ATOM 0 H ARG A 121 -3.669 -11.969 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.333 -12.944 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.959 -14.227 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.518 -14.994 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.363 -12.731 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.737 -12.777 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.410 -15.287 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.731 -14.027 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.898 -14.747 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.028 -15.500 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.307 -16.296 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.987 -15.770 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.033 -16.448 -9.708 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.586 -13.814 -1.014 1.00 0.00 N ATOM 1974 CA GLY A 122 -3.085 -14.499 0.163 1.00 0.00 C ATOM 1975 C GLY A 122 -3.555 -13.854 1.452 1.00 0.00 C ATOM 1976 O GLY A 122 -4.058 -14.534 2.347 1.00 0.00 O ATOM 0 H GLY A 122 -2.894 -13.251 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.411 -15.539 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.995 -14.506 0.140 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.391 -12.539 1.546 1.00 0.00 N ATOM 1981 CA ALA A 123 -3.803 -11.800 2.733 1.00 0.00 C ATOM 1982 C ALA A 123 -5.298 -11.959 2.988 1.00 0.00 C ATOM 1983 O ALA A 123 -5.754 -11.880 4.128 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.444 -10.330 2.589 1.00 0.00 C ATOM 0 H ALA A 123 -2.975 -11.963 0.814 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.270 -12.211 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.757 -9.790 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.366 -10.229 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.951 -9.915 1.718 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.057 -12.183 1.918 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.502 -12.353 2.025 1.00 0.00 C ATOM 1992 C ARG A 124 -7.853 -13.449 3.028 1.00 0.00 C ATOM 1993 O ARG A 124 -7.086 -14.392 3.227 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.097 -12.689 0.655 1.00 0.00 C ATOM 1995 CG ARG A 124 -9.266 -11.797 0.266 1.00 0.00 C ATOM 1996 CD ARG A 124 -10.478 -12.615 -0.152 1.00 0.00 C ATOM 1997 NE ARG A 124 -11.258 -13.066 0.998 1.00 0.00 N ATOM 1998 CZ ARG A 124 -12.518 -13.487 0.919 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -13.144 -13.518 -0.251 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -13.154 -13.879 2.014 1.00 0.00 N ATOM 0 H ARG A 124 -5.694 -12.251 0.967 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.927 -11.415 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.317 -12.603 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.427 -13.728 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.531 -11.156 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.968 -11.142 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.111 -12.016 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.150 -13.480 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.811 -13.058 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.659 -13.218 -1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -14.110 -13.842 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.678 -13.858 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.120 -14.202 1.955 1.00 0.00 H new ATOM 2014 N LYS A 125 -9.016 -13.317 3.658 1.00 0.00 N ATOM 2015 CA LYS A 125 -9.468 -14.296 4.640 1.00 0.00 C ATOM 2016 C LYS A 125 -8.479 -14.406 5.796 1.00 0.00 C ATOM 2017 O LYS A 125 -7.423 -13.773 5.784 1.00 0.00 O ATOM 2018 CB LYS A 125 -9.654 -15.665 3.980 1.00 0.00 C ATOM 2019 CG LYS A 125 -10.793 -16.477 4.575 1.00 0.00 C ATOM 2020 CD LYS A 125 -11.442 -17.373 3.533 1.00 0.00 C ATOM 2021 CE LYS A 125 -10.574 -18.581 3.218 1.00 0.00 C ATOM 2022 NZ LYS A 125 -11.162 -19.422 2.139 1.00 0.00 N ATOM 0 H LYS A 125 -9.662 -12.542 3.506 1.00 0.00 H new ATOM 0 HA LYS A 125 -10.426 -13.958 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -9.837 -15.524 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -8.728 -16.232 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -10.416 -17.086 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -11.541 -15.804 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -12.415 -17.707 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -11.619 -16.803 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -9.581 -18.246 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -10.448 -19.182 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -10.540 -20.235 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -12.098 -19.763 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -11.259 -18.856 1.272 1.00 0.00 H new ATOM 2036 N GLY A 126 -8.827 -15.214 6.791 1.00 0.00 N ATOM 2037 CA GLY A 126 -7.958 -15.393 7.940 1.00 0.00 C ATOM 2038 C GLY A 126 -8.021 -16.800 8.502 1.00 0.00 C ATOM 2039 O GLY A 126 -9.029 -17.197 9.086 1.00 0.00 O ATOM 0 H GLY A 126 -9.695 -15.748 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -6.931 -15.165 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.238 -14.682 8.717 1.00 0.00 H new ATOM 2043 N ARG A 127 -6.941 -17.554 8.327 1.00 0.00 N ATOM 2044 CA ARG A 127 -6.878 -18.924 8.821 1.00 0.00 C ATOM 2045 C ARG A 127 -6.005 -19.013 10.068 1.00 0.00 C ATOM 2046 O ARG A 127 -5.098 -18.203 10.262 1.00 0.00 O ATOM 2047 CB ARG A 127 -6.333 -19.855 7.736 1.00 0.00 C ATOM 2048 CG ARG A 127 -4.900 -19.548 7.333 1.00 0.00 C ATOM 2049 CD ARG A 127 -4.539 -20.207 6.012 1.00 0.00 C ATOM 2050 NE ARG A 127 -4.684 -19.289 4.884 1.00 0.00 N ATOM 2051 CZ ARG A 127 -4.400 -19.611 3.624 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -3.959 -20.827 3.327 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -4.560 -18.717 2.660 1.00 0.00 N ATOM 0 H ARG A 127 -6.098 -17.239 7.847 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.889 -19.236 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.389 -20.884 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.972 -19.786 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.767 -18.469 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.220 -19.894 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.511 -20.568 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.176 -21.077 5.855 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.023 -18.346 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -3.836 -21.520 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.743 -21.069 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.901 -17.782 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -4.342 -18.964 1.694 1.00 0.00 H new ATOM 2067 N GLY A 128 -6.285 -20.002 10.912 1.00 0.00 N ATOM 2068 CA GLY A 128 -5.517 -20.177 12.130 1.00 0.00 C ATOM 2069 C GLY A 128 -6.317 -20.847 13.229 1.00 0.00 C ATOM 2070 O GLY A 128 -5.710 -21.560 14.056 1.00 0.02 O ATOM 2071 OXT GLY A 128 -7.552 -20.658 13.264 1.00 0.02 O ATOM 0 H GLY A 128 -7.030 -20.685 10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -4.631 -20.774 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.169 -19.205 12.479 1.00 0.00 H new TER 2075 GLY A 128