USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 896 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 105 THR OG1 : rot 127:sc= 0.899 USER MOD Set 1.2: A 108 THR OG1 : rot -49:sc= -0.877 USER MOD Set 2.1: A 103 THR OG1 : rot -165:sc= 1.37 USER MOD Set 2.2: A 127 CYS SG : rot -81:sc= -0.621 USER MOD Set 3.1: A 61 ASN : amide:sc= -5.68! C(o=-5.7!,f=-8.5!) USER MOD Set 3.2: A 69 LYS NZ :NH3+ -114:sc= 0.0241 (180deg=-0.0503) USER MOD Set 4.1: A 15 THR OG1 : rot -8:sc= 0.465 USER MOD Set 4.2: A 126 LYS NZ :NH3+ -110:sc= 0.639 (180deg=-1.27!) USER MOD Set 5.1: A 6 TYR OH : rot 165:sc= -3.7 USER MOD Set 5.2: A 133 HIS : no HD1:sc= -7.6! C(o=-11!,f=-11!) USER MOD Single : A 4 ASN : amide:sc= -0.0244 K(o=-0.024,f=-0.87) USER MOD Single : A 9 ASN : amide:sc= -18.1! C(o=-18!,f=-13!) USER MOD Single : A 11 MET CE :methyl 157:sc= -2.58! (180deg=-5.19!) USER MOD Single : A 16 CYS SG : rot -153:sc= -2.18! USER MOD Single : A 17 GLN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 24 TYR OH : rot -1:sc= 0.00381 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.398 (180deg=-1.64!) USER MOD Single : A 27 SER OG : rot 36:sc= 0.376 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 19:sc= 1.17 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 59 TYR OH : rot -64:sc= 0.132 USER MOD Single : A 64 THR OG1 : rot -177:sc= -2.65! USER MOD Single : A 68 GLN : amide:sc= -4.19! K(o=-4.2!,f=-2.3) USER MOD Single : A 70 CYS SG : rot 160:sc= -2.15 USER MOD Single : A 71 SER OG : rot 26:sc= -3.53! USER MOD Single : A 76 SER OG : rot 160:sc=-0.00816 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 85 MET CE :methyl -133:sc= -2.67 (180deg=-8.53!) USER MOD Single : A 89 THR OG1 : rot -16:sc= 0.777 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.2!) USER MOD Single : A 101 THR OG1 : rot 7:sc= -2.92! USER MOD Single : A 104 LYS NZ :NH3+ -150:sc= -0.191 (180deg=-1.23!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -119:sc= -0.486 (180deg=-4.13!) USER MOD Single : A 124 ASN : amide:sc= -1.03 K(o=-1,f=-0.097) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -141:sc= -10.6! (180deg=-16.2!) USER MOD Single : A 132 SER OG : rot 48:sc= 0.691 USER MOD Single : A 137 SER OG : rot 89:sc= 0.182 USER MOD Single : A 138 GLN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N TRP A 3 -18.161 13.941 0.908 1.00 0.00 N ATOM 21 CA TRP A 3 -17.511 12.899 0.044 1.00 0.00 C ATOM 22 C TRP A 3 -17.909 13.112 -1.432 1.00 0.00 C ATOM 23 O TRP A 3 -17.124 12.881 -2.339 1.00 0.00 O ATOM 24 CB TRP A 3 -17.952 11.547 0.443 1.00 0.00 C ATOM 25 CG TRP A 3 -17.115 10.986 1.569 1.00 0.00 C ATOM 26 CD1 TRP A 3 -17.549 9.980 2.316 1.00 0.00 C ATOM 27 CD2 TRP A 3 -15.749 11.328 2.096 1.00 0.00 C ATOM 28 NE1 TRP A 3 -16.614 9.660 3.274 1.00 0.00 N ATOM 29 CE2 TRP A 3 -15.491 10.451 3.188 1.00 0.00 C ATOM 30 CE3 TRP A 3 -14.715 12.283 1.771 1.00 0.00 C ATOM 31 CZ2 TRP A 3 -14.306 10.504 3.916 1.00 0.00 C ATOM 32 CZ3 TRP A 3 -13.528 12.315 2.517 1.00 0.00 C ATOM 33 CH2 TRP A 3 -13.328 11.429 3.582 1.00 0.00 C ATOM 0 HA TRP A 3 -16.432 12.990 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.997 11.583 0.752 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.897 10.879 -0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.500 9.483 2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -16.739 8.922 3.967 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -14.856 12.973 0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -14.148 9.825 4.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -12.759 13.031 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -12.408 11.466 4.146 1.00 0.00 H new ATOM 44 N ASN A 4 -19.155 13.519 -1.658 1.00 0.00 N ATOM 45 CA ASN A 4 -19.674 13.731 -3.062 1.00 0.00 C ATOM 46 C ASN A 4 -18.830 14.772 -3.797 1.00 0.00 C ATOM 47 O ASN A 4 -18.644 14.686 -4.997 1.00 0.00 O ATOM 48 CB ASN A 4 -21.136 14.195 -3.010 1.00 0.00 C ATOM 49 CG ASN A 4 -21.993 13.165 -2.251 1.00 0.00 C ATOM 50 OD1 ASN A 4 -21.662 11.991 -2.181 1.00 0.00 O ATOM 51 ND2 ASN A 4 -23.097 13.558 -1.682 1.00 0.00 N ATOM 0 H ASN A 4 -19.834 13.713 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.610 12.786 -3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -21.200 15.166 -2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.521 14.324 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -23.680 12.887 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -23.379 14.537 -1.737 1.00 0.00 H new ATOM 58 N ALA A 5 -18.310 15.734 -3.074 1.00 0.00 N ATOM 59 CA ALA A 5 -17.421 16.806 -3.689 1.00 0.00 C ATOM 60 C ALA A 5 -16.088 16.139 -4.049 1.00 0.00 C ATOM 61 O ALA A 5 -15.449 16.468 -5.060 1.00 0.00 O ATOM 62 CB ALA A 5 -17.190 17.934 -2.676 1.00 0.00 C ATOM 0 H ALA A 5 -18.458 15.835 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.887 17.237 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.553 18.698 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.147 18.376 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.705 17.531 -1.787 1.00 0.00 H new ATOM 68 N TYR A 6 -15.685 15.154 -3.268 1.00 0.00 N ATOM 69 CA TYR A 6 -14.422 14.405 -3.618 1.00 0.00 C ATOM 70 C TYR A 6 -14.749 13.463 -4.796 1.00 0.00 C ATOM 71 O TYR A 6 -13.873 13.020 -5.504 1.00 0.00 O ATOM 72 CB TYR A 6 -13.851 13.712 -2.400 1.00 0.00 C ATOM 73 CG TYR A 6 -13.739 14.787 -1.376 1.00 0.00 C ATOM 74 CD1 TYR A 6 -12.660 15.662 -1.366 1.00 0.00 C ATOM 75 CD2 TYR A 6 -14.774 14.957 -0.518 1.00 0.00 C ATOM 76 CE1 TYR A 6 -12.653 16.723 -0.460 1.00 0.00 C ATOM 77 CE2 TYR A 6 -14.779 15.979 0.397 1.00 0.00 C ATOM 78 CZ TYR A 6 -13.719 16.876 0.435 1.00 0.00 C ATOM 79 OH TYR A 6 -13.737 17.931 1.319 1.00 0.00 O ATOM 0 H TYR A 6 -16.162 14.841 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 6 -13.630 15.080 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -14.502 12.907 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.880 13.267 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.837 15.523 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -15.611 14.275 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.830 17.422 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -15.604 16.086 1.085 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.637 18.028 1.694 1.00 0.00 H new ATOM 89 N ILE A 7 -16.051 13.284 -5.082 1.00 0.00 N ATOM 90 CA ILE A 7 -16.476 12.541 -6.322 1.00 0.00 C ATOM 91 C ILE A 7 -16.577 13.633 -7.411 1.00 0.00 C ATOM 92 O ILE A 7 -16.484 13.370 -8.594 1.00 0.00 O ATOM 93 CB ILE A 7 -17.844 11.873 -6.198 1.00 0.00 C ATOM 94 CG1 ILE A 7 -17.915 10.982 -4.937 1.00 0.00 C ATOM 95 CG2 ILE A 7 -18.149 11.081 -7.465 1.00 0.00 C ATOM 96 CD1 ILE A 7 -17.021 9.753 -5.077 1.00 0.00 C ATOM 0 H ILE A 7 -16.819 13.624 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.765 11.742 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.605 12.645 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -17.610 11.559 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.945 10.668 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.126 10.607 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -18.153 11.754 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -17.386 10.316 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.093 9.146 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.343 9.165 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.988 10.069 -5.221 1.00 0.00 H new ATOM 108 N ASP A 8 -16.743 14.895 -6.987 1.00 0.00 N ATOM 109 CA ASP A 8 -16.792 15.991 -7.942 1.00 0.00 C ATOM 110 C ASP A 8 -15.385 16.112 -8.566 1.00 0.00 C ATOM 111 O ASP A 8 -15.243 16.571 -9.645 1.00 0.00 O ATOM 112 CB ASP A 8 -17.259 17.266 -7.255 1.00 0.00 C ATOM 113 CG ASP A 8 -18.779 17.359 -7.344 1.00 0.00 C ATOM 114 OD1 ASP A 8 -19.270 17.711 -8.402 1.00 0.00 O ATOM 115 OD2 ASP A 8 -19.428 17.069 -6.351 1.00 0.00 O ATOM 0 H ASP A 8 -16.843 15.169 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.514 15.807 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.944 17.267 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.802 18.136 -7.727 1.00 0.00 H new ATOM 120 N ASN A 9 -14.361 15.572 -7.880 1.00 0.00 N ATOM 121 CA ASN A 9 -12.964 15.475 -8.449 1.00 0.00 C ATOM 122 C ASN A 9 -13.074 14.505 -9.562 1.00 0.00 C ATOM 123 O ASN A 9 -12.590 14.682 -10.659 1.00 0.00 O ATOM 124 CB ASN A 9 -12.075 14.795 -7.358 1.00 0.00 C ATOM 125 CG ASN A 9 -10.876 13.821 -7.962 1.00 0.00 C ATOM 126 OD1 ASN A 9 -9.752 14.207 -7.937 1.00 0.00 O ATOM 127 ND2 ASN A 9 -11.148 12.527 -8.487 1.00 0.00 N ATOM 0 H ASN A 9 -14.452 15.193 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.560 16.441 -8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.621 15.571 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.714 14.201 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.384 11.947 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.107 12.180 -8.516 1.00 0.00 H new ATOM 134 N LEU A 10 -13.678 13.430 -9.187 1.00 0.00 N ATOM 135 CA LEU A 10 -13.875 12.293 -10.018 1.00 0.00 C ATOM 136 C LEU A 10 -14.608 12.670 -11.298 1.00 0.00 C ATOM 137 O LEU A 10 -14.439 12.044 -12.299 1.00 0.00 O ATOM 138 CB LEU A 10 -14.652 11.277 -9.159 1.00 0.00 C ATOM 139 CG LEU A 10 -13.760 10.789 -7.894 1.00 0.00 C ATOM 140 CD1 LEU A 10 -14.554 9.880 -6.965 1.00 0.00 C ATOM 141 CD2 LEU A 10 -12.460 10.045 -8.321 1.00 0.00 C ATOM 0 H LEU A 10 -14.065 13.315 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.932 11.861 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.579 11.728 -8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.929 10.416 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.481 11.703 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.924 9.573 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.423 10.417 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.884 8.998 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.905 9.743 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.721 9.162 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.843 10.709 -8.926 1.00 0.00 H new ATOM 153 N MET A 11 -15.398 13.692 -11.264 1.00 0.00 N ATOM 154 CA MET A 11 -16.130 14.138 -12.511 1.00 0.00 C ATOM 155 C MET A 11 -15.433 15.364 -13.115 1.00 0.00 C ATOM 156 O MET A 11 -15.367 15.537 -14.320 1.00 0.00 O ATOM 157 CB MET A 11 -17.573 14.447 -12.163 1.00 0.00 C ATOM 158 CG MET A 11 -18.184 13.221 -11.456 1.00 0.00 C ATOM 159 SD MET A 11 -18.914 12.090 -12.697 1.00 0.00 S ATOM 160 CE MET A 11 -17.380 11.255 -13.263 1.00 0.00 C ATOM 0 H MET A 11 -15.582 14.253 -10.433 1.00 0.00 H new ATOM 0 HA MET A 11 -16.115 13.341 -13.254 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.627 15.322 -11.516 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.137 14.683 -13.065 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.417 12.700 -10.883 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.948 13.541 -10.748 1.00 0.00 H new ATOM 0 HE1 MET A 11 -17.631 10.286 -13.694 1.00 0.00 H new ATOM 0 HE2 MET A 11 -16.887 11.871 -14.016 1.00 0.00 H new ATOM 0 HE3 MET A 11 -16.710 11.112 -12.415 1.00 0.00 H new ATOM 170 N ALA A 12 -14.932 16.203 -12.254 1.00 0.00 N ATOM 171 CA ALA A 12 -14.228 17.463 -12.660 1.00 0.00 C ATOM 172 C ALA A 12 -12.782 17.174 -13.071 1.00 0.00 C ATOM 173 O ALA A 12 -12.047 18.089 -13.426 1.00 0.00 O ATOM 174 CB ALA A 12 -14.214 18.424 -11.462 1.00 0.00 C ATOM 0 H ALA A 12 -14.981 16.066 -11.244 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.753 17.901 -13.509 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.705 19.346 -11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.238 18.650 -11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.689 17.958 -10.628 1.00 0.00 H new ATOM 180 N ASP A 13 -12.357 15.919 -13.010 1.00 0.00 N ATOM 181 CA ASP A 13 -10.924 15.578 -13.383 1.00 0.00 C ATOM 182 C ASP A 13 -10.708 15.661 -14.907 1.00 0.00 C ATOM 183 O ASP A 13 -9.598 15.490 -15.353 1.00 0.00 O ATOM 184 CB ASP A 13 -10.576 14.136 -12.902 1.00 0.00 C ATOM 185 CG ASP A 13 -11.780 13.207 -13.045 1.00 0.00 C ATOM 186 OD1 ASP A 13 -12.492 13.335 -14.031 1.00 0.00 O ATOM 187 OD2 ASP A 13 -11.975 12.400 -12.166 1.00 0.00 O ATOM 0 H ASP A 13 -12.930 15.125 -12.723 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.273 16.304 -12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.740 13.746 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.255 14.163 -11.861 1.00 0.00 H new ATOM 192 N GLY A 14 -11.772 15.968 -15.708 1.00 0.00 N ATOM 193 CA GLY A 14 -11.646 16.095 -17.253 1.00 0.00 C ATOM 194 C GLY A 14 -10.491 15.229 -17.786 1.00 0.00 C ATOM 195 O GLY A 14 -9.704 15.660 -18.621 1.00 0.00 O ATOM 0 H GLY A 14 -12.714 16.134 -15.354 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.581 15.790 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.478 17.138 -17.523 1.00 0.00 H new ATOM 199 N THR A 15 -10.355 14.044 -17.227 1.00 0.00 N ATOM 200 CA THR A 15 -9.238 13.147 -17.568 1.00 0.00 C ATOM 201 C THR A 15 -9.573 11.667 -17.190 1.00 0.00 C ATOM 202 O THR A 15 -8.976 10.738 -17.726 1.00 0.00 O ATOM 203 CB THR A 15 -8.052 13.654 -16.741 1.00 0.00 C ATOM 204 OG1 THR A 15 -7.674 14.945 -17.194 1.00 0.00 O ATOM 205 CG2 THR A 15 -6.907 12.731 -16.885 1.00 0.00 C ATOM 0 H THR A 15 -10.999 13.667 -16.531 1.00 0.00 H new ATOM 0 HA THR A 15 -9.028 13.154 -18.638 1.00 0.00 H new ATOM 0 HB THR A 15 -8.345 13.704 -15.692 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.168 15.163 -18.012 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.067 13.098 -16.294 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.192 11.740 -16.533 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.615 12.674 -17.934 1.00 0.00 H new ATOM 213 N CYS A 16 -10.462 11.464 -16.233 1.00 0.00 N ATOM 214 CA CYS A 16 -10.792 10.094 -15.746 1.00 0.00 C ATOM 215 C CYS A 16 -11.915 9.435 -16.577 1.00 0.00 C ATOM 216 O CYS A 16 -12.244 9.845 -17.684 1.00 0.00 O ATOM 217 CB CYS A 16 -11.210 10.248 -14.239 1.00 0.00 C ATOM 218 SG CYS A 16 -13.004 10.490 -14.072 1.00 0.00 S ATOM 0 H CYS A 16 -10.977 12.211 -15.767 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.930 9.435 -15.851 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.907 9.361 -13.683 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.684 11.095 -13.798 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.252 11.158 -12.985 1.00 0.00 H new ATOM 224 N GLN A 17 -12.457 8.389 -16.002 1.00 0.00 N ATOM 225 CA GLN A 17 -13.502 7.591 -16.607 1.00 0.00 C ATOM 226 C GLN A 17 -14.321 7.017 -15.407 1.00 0.00 C ATOM 227 O GLN A 17 -15.527 7.159 -15.327 1.00 0.00 O ATOM 228 CB GLN A 17 -12.787 6.517 -17.389 1.00 0.00 C ATOM 229 CG GLN A 17 -13.552 6.110 -18.624 1.00 0.00 C ATOM 230 CD GLN A 17 -14.208 4.738 -18.427 1.00 0.00 C ATOM 231 OE1 GLN A 17 -13.798 3.763 -19.026 1.00 0.00 O ATOM 232 NE2 GLN A 17 -15.215 4.621 -17.603 1.00 0.00 N ATOM 0 H GLN A 17 -12.179 8.059 -15.078 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.177 8.122 -17.278 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.799 6.876 -17.677 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.636 5.645 -16.752 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.316 6.855 -18.847 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.879 6.077 -19.481 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.560 5.438 -17.100 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.656 3.712 -17.463 1.00 0.00 H new ATOM 241 N ASP A 18 -13.597 6.428 -14.423 1.00 0.00 N ATOM 242 CA ASP A 18 -14.234 5.901 -13.153 1.00 0.00 C ATOM 243 C ASP A 18 -13.591 6.632 -11.983 1.00 0.00 C ATOM 244 O ASP A 18 -12.784 7.533 -12.169 1.00 0.00 O ATOM 245 CB ASP A 18 -14.084 4.390 -13.042 1.00 0.00 C ATOM 246 CG ASP A 18 -15.281 3.759 -12.276 1.00 0.00 C ATOM 247 OD1 ASP A 18 -16.180 4.486 -11.854 1.00 0.00 O ATOM 248 OD2 ASP A 18 -15.281 2.552 -12.144 1.00 0.00 O ATOM 0 H ASP A 18 -12.586 6.299 -14.466 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.308 6.089 -13.157 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.017 3.955 -14.039 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.153 4.151 -12.527 1.00 0.00 H new ATOM 253 N ALA A 19 -14.074 6.389 -10.789 1.00 0.00 N ATOM 254 CA ALA A 19 -13.627 7.216 -9.613 1.00 0.00 C ATOM 255 C ALA A 19 -14.161 6.637 -8.292 1.00 0.00 C ATOM 256 O ALA A 19 -15.367 6.477 -8.189 1.00 0.00 O ATOM 257 CB ALA A 19 -14.335 8.477 -9.874 1.00 0.00 C ATOM 0 H ALA A 19 -14.754 5.660 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.543 7.281 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.104 9.194 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.018 8.880 -10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.409 8.294 -9.894 1.00 0.00 H new ATOM 263 N ALA A 20 -13.351 6.345 -7.253 1.00 0.00 N ATOM 264 CA ALA A 20 -14.060 5.836 -5.991 1.00 0.00 C ATOM 265 C ALA A 20 -13.310 5.928 -4.695 1.00 0.00 C ATOM 266 O ALA A 20 -12.272 5.327 -4.504 1.00 0.00 O ATOM 267 CB ALA A 20 -14.455 4.412 -6.158 1.00 0.00 C ATOM 0 H ALA A 20 -12.335 6.426 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.904 6.520 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.957 4.065 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.132 4.319 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.566 3.806 -6.335 1.00 0.00 H new ATOM 273 N ILE A 21 -13.958 6.576 -3.737 1.00 0.00 N ATOM 274 CA ILE A 21 -13.436 6.612 -2.343 1.00 0.00 C ATOM 275 C ILE A 21 -13.930 5.306 -1.730 1.00 0.00 C ATOM 276 O ILE A 21 -15.044 4.865 -2.049 1.00 0.00 O ATOM 277 CB ILE A 21 -14.004 7.789 -1.578 1.00 0.00 C ATOM 278 CG1 ILE A 21 -13.586 9.071 -2.304 1.00 0.00 C ATOM 279 CG2 ILE A 21 -13.445 7.772 -0.132 1.00 0.00 C ATOM 280 CD1 ILE A 21 -13.932 10.297 -1.472 1.00 0.00 C ATOM 0 H ILE A 21 -14.833 7.082 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.352 6.719 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 21 -15.092 7.736 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.514 9.050 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.087 9.128 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.850 8.617 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.734 6.842 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.358 7.844 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.627 11.197 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -15.007 10.326 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.410 10.247 -0.516 1.00 0.00 H new ATOM 292 N VAL A 22 -13.144 4.645 -0.913 1.00 0.00 N ATOM 293 CA VAL A 22 -13.612 3.331 -0.377 1.00 0.00 C ATOM 294 C VAL A 22 -13.124 3.088 1.056 1.00 0.00 C ATOM 295 O VAL A 22 -11.942 2.951 1.275 1.00 0.00 O ATOM 296 CB VAL A 22 -13.057 2.229 -1.299 1.00 0.00 C ATOM 297 CG1 VAL A 22 -13.605 0.866 -0.870 1.00 0.00 C ATOM 298 CG2 VAL A 22 -13.476 2.518 -2.755 1.00 0.00 C ATOM 0 H VAL A 22 -12.222 4.950 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.702 3.325 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.969 2.216 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.208 0.091 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.304 0.660 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.693 0.874 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.084 1.739 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.564 2.536 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.077 3.484 -3.063 1.00 0.00 H new ATOM 308 N GLY A 23 -14.051 2.985 2.034 1.00 0.00 N ATOM 309 CA GLY A 23 -13.644 2.684 3.463 1.00 0.00 C ATOM 310 C GLY A 23 -13.178 1.219 3.492 1.00 0.00 C ATOM 311 O GLY A 23 -13.938 0.318 3.765 1.00 0.00 O ATOM 0 H GLY A 23 -15.054 3.098 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.844 3.351 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.481 2.837 4.144 1.00 0.00 H new ATOM 315 N TYR A 24 -11.937 1.016 3.145 1.00 0.00 N ATOM 316 CA TYR A 24 -11.310 -0.348 3.036 1.00 0.00 C ATOM 317 C TYR A 24 -10.907 -0.949 4.442 1.00 0.00 C ATOM 318 O TYR A 24 -10.027 -1.803 4.500 1.00 0.00 O ATOM 319 CB TYR A 24 -10.031 -0.147 2.159 1.00 0.00 C ATOM 320 CG TYR A 24 -8.864 0.216 3.082 1.00 0.00 C ATOM 321 CD1 TYR A 24 -8.867 1.414 3.800 1.00 0.00 C ATOM 322 CD2 TYR A 24 -7.849 -0.701 3.273 1.00 0.00 C ATOM 323 CE1 TYR A 24 -7.833 1.685 4.705 1.00 0.00 C ATOM 324 CE2 TYR A 24 -6.815 -0.436 4.161 1.00 0.00 C ATOM 325 CZ TYR A 24 -6.804 0.758 4.884 1.00 0.00 C ATOM 326 OH TYR A 24 -5.783 1.016 5.779 1.00 0.00 O ATOM 0 H TYR A 24 -11.295 1.776 2.920 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.018 -1.055 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.806 -1.057 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.194 0.643 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.664 2.129 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.860 -1.633 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.831 2.609 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.019 -1.154 4.292 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.925 1.893 6.193 1.00 0.00 H new ATOM 336 N LYS A 25 -11.502 -0.496 5.546 1.00 0.00 N ATOM 337 CA LYS A 25 -11.124 -1.012 6.892 1.00 0.00 C ATOM 338 C LYS A 25 -11.293 -2.528 6.931 1.00 0.00 C ATOM 339 O LYS A 25 -11.468 -3.168 5.907 1.00 0.00 O ATOM 340 CB LYS A 25 -12.009 -0.357 7.931 1.00 0.00 C ATOM 341 CG LYS A 25 -11.466 1.037 8.258 1.00 0.00 C ATOM 342 CD LYS A 25 -11.863 1.994 7.163 1.00 0.00 C ATOM 343 CE LYS A 25 -11.996 3.398 7.745 1.00 0.00 C ATOM 344 NZ LYS A 25 -13.064 3.410 8.792 1.00 0.00 N ATOM 0 H LYS A 25 -12.235 0.213 5.553 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.081 -0.776 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.031 -0.283 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.042 -0.967 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.860 1.378 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.381 1.004 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.116 1.986 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.807 1.682 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.047 3.715 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.240 4.108 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.519 4.345 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.775 2.684 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.642 3.210 9.721 1.00 0.00 H new ATOM 358 N ASP A 26 -11.253 -3.099 8.119 1.00 0.00 N ATOM 359 CA ASP A 26 -11.432 -4.628 8.311 1.00 0.00 C ATOM 360 C ASP A 26 -12.479 -5.134 7.325 1.00 0.00 C ATOM 361 O ASP A 26 -12.226 -6.011 6.509 1.00 0.00 O ATOM 362 CB ASP A 26 -11.914 -4.937 9.735 1.00 0.00 C ATOM 363 CG ASP A 26 -12.811 -3.809 10.279 1.00 0.00 C ATOM 364 OD1 ASP A 26 -12.271 -2.830 10.768 1.00 0.00 O ATOM 365 OD2 ASP A 26 -14.021 -3.950 10.196 1.00 0.00 O ATOM 0 H ASP A 26 -11.104 -2.585 8.987 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.473 -5.118 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.466 -5.877 9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.054 -5.070 10.392 1.00 0.00 H new ATOM 370 N SER A 27 -13.619 -4.505 7.364 1.00 0.00 N ATOM 371 CA SER A 27 -14.703 -4.790 6.440 1.00 0.00 C ATOM 372 C SER A 27 -14.752 -3.566 5.527 1.00 0.00 C ATOM 373 O SER A 27 -14.899 -2.462 6.031 1.00 0.00 O ATOM 374 CB SER A 27 -15.997 -4.926 7.209 1.00 0.00 C ATOM 375 OG SER A 27 -16.090 -3.886 8.179 1.00 0.00 O ATOM 0 H SER A 27 -13.834 -3.772 8.040 1.00 0.00 H new ATOM 0 HA SER A 27 -14.558 -5.715 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.845 -4.876 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.040 -5.899 7.699 1.00 0.00 H new ATOM 0 HG SER A 27 -15.698 -3.064 7.816 1.00 0.00 H new ATOM 381 N PRO A 28 -14.549 -3.757 4.220 1.00 0.00 N ATOM 382 CA PRO A 28 -14.490 -2.648 3.296 1.00 0.00 C ATOM 383 C PRO A 28 -15.867 -2.168 2.917 1.00 0.00 C ATOM 384 O PRO A 28 -16.867 -2.822 3.196 1.00 0.00 O ATOM 385 CB PRO A 28 -13.731 -3.203 2.105 1.00 0.00 C ATOM 386 CG PRO A 28 -13.876 -4.739 2.185 1.00 0.00 C ATOM 387 CD PRO A 28 -14.388 -5.068 3.574 1.00 0.00 C ATOM 0 HA PRO A 28 -14.001 -1.772 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.140 -2.821 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.682 -2.908 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.568 -5.101 1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.918 -5.226 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.333 -5.610 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.684 -5.697 4.119 1.00 0.00 H new ATOM 395 N SER A 29 -15.921 -1.016 2.288 1.00 0.00 N ATOM 396 CA SER A 29 -17.198 -0.428 1.872 1.00 0.00 C ATOM 397 C SER A 29 -16.913 0.743 0.960 1.00 0.00 C ATOM 398 O SER A 29 -15.785 1.224 0.878 1.00 0.00 O ATOM 399 CB SER A 29 -17.964 0.047 3.102 1.00 0.00 C ATOM 400 OG SER A 29 -17.131 0.917 3.858 1.00 0.00 O ATOM 0 H SER A 29 -15.101 -0.458 2.048 1.00 0.00 H new ATOM 0 HA SER A 29 -17.800 -1.169 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 29 -18.875 0.565 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.267 -0.806 3.709 1.00 0.00 H new ATOM 0 HG SER A 29 -17.617 1.228 4.650 1.00 0.00 H new ATOM 406 N VAL A 30 -17.913 1.200 0.265 1.00 0.00 N ATOM 407 CA VAL A 30 -17.741 2.321 -0.657 1.00 0.00 C ATOM 408 C VAL A 30 -18.201 3.618 0.034 1.00 0.00 C ATOM 409 O VAL A 30 -19.386 3.892 0.150 1.00 0.00 O ATOM 410 CB VAL A 30 -18.548 2.001 -1.924 1.00 0.00 C ATOM 411 CG1 VAL A 30 -18.726 3.251 -2.794 1.00 0.00 C ATOM 412 CG2 VAL A 30 -17.785 0.911 -2.716 1.00 0.00 C ATOM 0 H VAL A 30 -18.861 0.825 0.308 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.698 2.468 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 30 -19.541 1.649 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -19.301 2.996 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -19.256 4.016 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.748 3.631 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.338 0.665 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.796 1.282 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.683 0.018 -2.100 1.00 0.00 H new ATOM 422 N TRP A 31 -17.240 4.414 0.478 1.00 0.00 N ATOM 423 CA TRP A 31 -17.546 5.715 1.160 1.00 0.00 C ATOM 424 C TRP A 31 -18.116 6.697 0.129 1.00 0.00 C ATOM 425 O TRP A 31 -18.860 7.612 0.458 1.00 0.00 O ATOM 426 CB TRP A 31 -16.235 6.260 1.757 1.00 0.00 C ATOM 427 CG TRP A 31 -15.994 5.624 3.109 1.00 0.00 C ATOM 428 CD1 TRP A 31 -16.687 4.565 3.610 1.00 0.00 C ATOM 429 CD2 TRP A 31 -15.018 5.980 4.132 1.00 0.00 C ATOM 430 NE1 TRP A 31 -16.218 4.269 4.850 1.00 0.00 N ATOM 431 CE2 TRP A 31 -15.185 5.108 5.228 1.00 0.00 C ATOM 432 CE3 TRP A 31 -14.015 6.966 4.219 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -14.397 5.209 6.371 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -13.221 7.070 5.368 1.00 0.00 C ATOM 435 CH2 TRP A 31 -13.413 6.196 6.444 1.00 0.00 C ATOM 0 H TRP A 31 -16.245 4.208 0.392 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.280 5.578 1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -15.401 6.045 1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -16.292 7.344 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -17.484 4.043 3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -16.584 3.517 5.434 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -13.858 7.646 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -14.546 4.528 7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -12.455 7.830 5.424 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.801 6.285 7.329 1.00 0.00 H new ATOM 446 N ALA A 32 -17.770 6.483 -1.118 1.00 0.00 N ATOM 447 CA ALA A 32 -18.251 7.330 -2.242 1.00 0.00 C ATOM 448 C ALA A 32 -17.721 6.686 -3.532 1.00 0.00 C ATOM 449 O ALA A 32 -16.700 6.012 -3.507 1.00 0.00 O ATOM 450 CB ALA A 32 -17.707 8.773 -2.085 1.00 0.00 C ATOM 0 H ALA A 32 -17.150 5.726 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 32 -19.339 7.392 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -18.063 9.388 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -18.058 9.193 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.617 8.754 -2.090 1.00 0.00 H new ATOM 456 N ALA A 33 -18.405 6.858 -4.647 1.00 0.00 N ATOM 457 CA ALA A 33 -17.926 6.230 -5.933 1.00 0.00 C ATOM 458 C ALA A 33 -18.887 6.536 -7.065 1.00 0.00 C ATOM 459 O ALA A 33 -20.082 6.355 -6.927 1.00 0.00 O ATOM 460 CB ALA A 33 -17.870 4.705 -5.777 1.00 0.00 C ATOM 0 H ALA A 33 -19.266 7.400 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.939 6.636 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.524 4.256 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.182 4.447 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.864 4.327 -5.540 1.00 0.00 H new ATOM 466 N VAL A 34 -18.362 6.960 -8.217 1.00 0.00 N ATOM 467 CA VAL A 34 -19.241 7.238 -9.416 1.00 0.00 C ATOM 468 C VAL A 34 -20.146 5.982 -9.641 1.00 0.00 C ATOM 469 O VAL A 34 -19.650 4.958 -10.075 1.00 0.00 O ATOM 470 CB VAL A 34 -18.349 7.510 -10.665 1.00 0.00 C ATOM 471 CG1 VAL A 34 -19.238 7.742 -11.888 1.00 0.00 C ATOM 472 CG2 VAL A 34 -17.511 8.765 -10.405 1.00 0.00 C ATOM 0 H VAL A 34 -17.367 7.122 -8.370 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.864 8.117 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.698 6.655 -10.849 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.614 7.932 -12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.850 6.858 -12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -19.884 8.601 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.881 8.968 -11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.172 9.614 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.883 8.608 -9.528 1.00 0.00 H new ATOM 482 N PRO A 35 -21.451 6.080 -9.271 1.00 0.00 N ATOM 483 CA PRO A 35 -22.379 4.937 -9.368 1.00 0.00 C ATOM 484 C PRO A 35 -22.780 4.638 -10.811 1.00 0.00 C ATOM 485 O PRO A 35 -22.883 5.531 -11.643 1.00 0.00 O ATOM 486 CB PRO A 35 -23.596 5.373 -8.540 1.00 0.00 C ATOM 487 CG PRO A 35 -23.552 6.925 -8.483 1.00 0.00 C ATOM 488 CD PRO A 35 -22.087 7.325 -8.757 1.00 0.00 C ATOM 0 HA PRO A 35 -21.924 4.016 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.522 5.027 -8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -23.558 4.946 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -24.220 7.361 -9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -23.879 7.288 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -22.026 8.132 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -21.595 7.677 -7.850 1.00 0.00 H new ATOM 496 N GLY A 36 -23.015 3.364 -11.101 1.00 0.00 N ATOM 497 CA GLY A 36 -23.425 2.941 -12.478 1.00 0.00 C ATOM 498 C GLY A 36 -22.219 2.373 -13.247 1.00 0.00 C ATOM 499 O GLY A 36 -22.370 1.912 -14.373 1.00 0.00 O ATOM 0 H GLY A 36 -22.937 2.601 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -24.211 2.189 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.841 3.792 -13.018 1.00 0.00 H new ATOM 503 N LYS A 37 -21.011 2.424 -12.663 1.00 0.00 N ATOM 504 CA LYS A 37 -19.804 1.915 -13.383 1.00 0.00 C ATOM 505 C LYS A 37 -19.315 0.565 -12.829 1.00 0.00 C ATOM 506 O LYS A 37 -19.521 -0.464 -13.459 1.00 0.00 O ATOM 507 CB LYS A 37 -18.694 2.946 -13.274 1.00 0.00 C ATOM 508 CG LYS A 37 -18.866 3.983 -14.388 1.00 0.00 C ATOM 509 CD LYS A 37 -19.603 5.220 -13.848 1.00 0.00 C ATOM 510 CE LYS A 37 -20.694 5.648 -14.839 1.00 0.00 C ATOM 511 NZ LYS A 37 -20.082 6.445 -15.940 1.00 0.00 N ATOM 0 H LYS A 37 -20.833 2.795 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.079 1.753 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.726 3.432 -12.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.721 2.462 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.891 4.273 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.426 3.549 -15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.047 4.996 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.898 6.037 -13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.195 4.770 -15.247 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.454 6.239 -14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.822 6.735 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.624 7.290 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.373 5.867 -16.434 1.00 0.00 H new ATOM 525 N THR A 38 -18.623 0.558 -11.680 1.00 0.00 N ATOM 526 CA THR A 38 -18.074 -0.756 -11.142 1.00 0.00 C ATOM 527 C THR A 38 -17.413 -0.589 -9.737 1.00 0.00 C ATOM 528 O THR A 38 -17.405 -1.518 -8.942 1.00 0.00 O ATOM 529 CB THR A 38 -17.031 -1.270 -12.198 1.00 0.00 C ATOM 530 OG1 THR A 38 -17.693 -2.101 -13.138 1.00 0.00 O ATOM 531 CG2 THR A 38 -15.856 -2.060 -11.561 1.00 0.00 C ATOM 0 H THR A 38 -18.423 1.381 -11.112 1.00 0.00 H new ATOM 0 HA THR A 38 -18.884 -1.472 -11.002 1.00 0.00 H new ATOM 0 HB THR A 38 -16.603 -0.391 -12.679 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.657 -1.931 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.171 -2.387 -12.343 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.324 -1.418 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 38 -16.246 -2.930 -11.033 1.00 0.00 H new ATOM 539 N PHE A 39 -16.817 0.549 -9.478 1.00 0.00 N ATOM 540 CA PHE A 39 -16.084 0.775 -8.174 1.00 0.00 C ATOM 541 C PHE A 39 -16.989 0.690 -6.975 1.00 0.00 C ATOM 542 O PHE A 39 -16.612 0.147 -5.961 1.00 0.00 O ATOM 543 CB PHE A 39 -15.482 2.145 -8.195 1.00 0.00 C ATOM 544 CG PHE A 39 -14.295 2.227 -9.171 1.00 0.00 C ATOM 545 CD1 PHE A 39 -14.059 1.216 -10.131 1.00 0.00 C ATOM 546 CD2 PHE A 39 -13.425 3.322 -9.107 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.993 1.317 -10.988 1.00 0.00 C ATOM 548 CE2 PHE A 39 -12.351 3.403 -9.975 1.00 0.00 C ATOM 549 CZ PHE A 39 -12.143 2.395 -10.914 1.00 0.00 C ATOM 0 H PHE A 39 -16.802 1.345 -10.116 1.00 0.00 H new ATOM 0 HA PHE A 39 -15.330 -0.007 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -16.241 2.872 -8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.148 2.412 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.719 0.363 -10.189 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.592 4.103 -8.380 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.820 0.546 -11.724 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.676 4.245 -9.925 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.305 2.461 -11.591 1.00 0.00 H new ATOM 559 N VAL A 40 -18.163 1.246 -7.078 1.00 0.00 N ATOM 560 CA VAL A 40 -19.140 1.236 -5.936 1.00 0.00 C ATOM 561 C VAL A 40 -19.432 -0.223 -5.541 1.00 0.00 C ATOM 562 O VAL A 40 -19.855 -0.496 -4.424 1.00 0.00 O ATOM 563 CB VAL A 40 -20.430 1.980 -6.342 1.00 0.00 C ATOM 564 CG1 VAL A 40 -20.859 1.537 -7.731 1.00 0.00 C ATOM 565 CG2 VAL A 40 -21.547 1.693 -5.323 1.00 0.00 C ATOM 0 H VAL A 40 -18.499 1.717 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 40 -18.718 1.752 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.237 3.053 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.770 2.063 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.069 1.766 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.046 0.463 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.453 2.222 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.746 0.622 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -21.234 2.032 -4.335 1.00 0.00 H new ATOM 575 N ASN A 41 -19.173 -1.163 -6.439 1.00 0.00 N ATOM 576 CA ASN A 41 -19.380 -2.581 -6.128 1.00 0.00 C ATOM 577 C ASN A 41 -18.061 -3.145 -5.543 1.00 0.00 C ATOM 578 O ASN A 41 -17.762 -4.326 -5.683 1.00 0.00 O ATOM 579 CB ASN A 41 -19.734 -3.309 -7.412 1.00 0.00 C ATOM 580 CG ASN A 41 -21.202 -3.052 -7.760 1.00 0.00 C ATOM 581 OD1 ASN A 41 -21.513 -2.135 -8.492 1.00 0.00 O ATOM 582 ND2 ASN A 41 -22.121 -3.829 -7.261 1.00 0.00 N ATOM 0 H ASN A 41 -18.823 -0.979 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 41 -20.186 -2.712 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.092 -2.968 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.559 -4.379 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.103 -3.667 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.859 -4.599 -6.646 1.00 0.00 H new ATOM 589 N ILE A 42 -17.258 -2.283 -4.895 1.00 0.00 N ATOM 590 CA ILE A 42 -15.962 -2.726 -4.319 1.00 0.00 C ATOM 591 C ILE A 42 -16.199 -3.507 -2.985 1.00 0.00 C ATOM 592 O ILE A 42 -16.785 -3.020 -2.035 1.00 0.00 O ATOM 593 CB ILE A 42 -15.045 -1.470 -4.139 1.00 0.00 C ATOM 594 CG1 ILE A 42 -14.230 -1.284 -5.431 1.00 0.00 C ATOM 595 CG2 ILE A 42 -14.080 -1.636 -2.957 1.00 0.00 C ATOM 596 CD1 ILE A 42 -13.734 0.162 -5.545 1.00 0.00 C ATOM 0 H ILE A 42 -17.471 -1.295 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.456 -3.420 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.674 -0.603 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.381 -1.968 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -14.845 -1.534 -6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.461 -0.744 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.650 -1.778 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.443 -2.504 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -13.159 0.278 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -14.588 0.839 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.102 0.398 -4.689 1.00 0.00 H new ATOM 608 N THR A 43 -15.715 -4.714 -2.975 1.00 0.00 N ATOM 609 CA THR A 43 -15.814 -5.662 -1.804 1.00 0.00 C ATOM 610 C THR A 43 -14.380 -5.892 -1.253 1.00 0.00 C ATOM 611 O THR A 43 -13.452 -5.362 -1.811 1.00 0.00 O ATOM 612 CB THR A 43 -16.379 -6.997 -2.370 1.00 0.00 C ATOM 613 OG1 THR A 43 -15.918 -7.197 -3.710 1.00 0.00 O ATOM 614 CG2 THR A 43 -17.897 -6.939 -2.372 1.00 0.00 C ATOM 0 H THR A 43 -15.224 -5.115 -3.774 1.00 0.00 H new ATOM 0 HA THR A 43 -16.450 -5.278 -1.007 1.00 0.00 H new ATOM 0 HB THR A 43 -16.037 -7.821 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.277 -8.040 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.296 -7.873 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.257 -6.793 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.229 -6.109 -2.996 1.00 0.00 H new ATOM 622 N PRO A 44 -14.210 -6.726 -0.188 1.00 0.00 N ATOM 623 CA PRO A 44 -12.858 -7.027 0.345 1.00 0.00 C ATOM 624 C PRO A 44 -12.035 -7.896 -0.619 1.00 0.00 C ATOM 625 O PRO A 44 -10.881 -8.215 -0.347 1.00 0.00 O ATOM 626 CB PRO A 44 -13.111 -7.728 1.657 1.00 0.00 C ATOM 627 CG PRO A 44 -14.566 -8.267 1.607 1.00 0.00 C ATOM 628 CD PRO A 44 -15.308 -7.410 0.555 1.00 0.00 C ATOM 0 HA PRO A 44 -12.264 -6.122 0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.402 -8.543 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.982 -7.041 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.581 -9.321 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.045 -8.186 2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.915 -8.027 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.980 -6.692 1.026 1.00 0.00 H new ATOM 636 N ALA A 45 -12.607 -8.238 -1.742 1.00 0.00 N ATOM 637 CA ALA A 45 -11.891 -9.040 -2.776 1.00 0.00 C ATOM 638 C ALA A 45 -11.042 -8.078 -3.601 1.00 0.00 C ATOM 639 O ALA A 45 -9.799 -8.067 -3.534 1.00 0.00 O ATOM 640 CB ALA A 45 -12.929 -9.709 -3.676 1.00 0.00 C ATOM 0 H ALA A 45 -13.564 -7.989 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.261 -9.804 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.422 -10.300 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.566 -10.359 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.541 -8.945 -4.156 1.00 0.00 H new ATOM 646 N GLU A 46 -11.717 -7.239 -4.350 1.00 0.00 N ATOM 647 CA GLU A 46 -11.007 -6.199 -5.194 1.00 0.00 C ATOM 648 C GLU A 46 -10.149 -5.338 -4.266 1.00 0.00 C ATOM 649 O GLU A 46 -8.991 -5.057 -4.552 1.00 0.00 O ATOM 650 CB GLU A 46 -12.014 -5.303 -5.982 1.00 0.00 C ATOM 651 CG GLU A 46 -13.329 -5.132 -5.221 1.00 0.00 C ATOM 652 CD GLU A 46 -14.405 -6.042 -5.835 1.00 0.00 C ATOM 653 OE1 GLU A 46 -14.122 -7.211 -6.041 1.00 0.00 O ATOM 654 OE2 GLU A 46 -15.494 -5.551 -6.086 1.00 0.00 O ATOM 0 H GLU A 46 -12.734 -7.222 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.387 -6.705 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.568 -4.325 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.212 -5.748 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.186 -5.380 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.652 -4.092 -5.263 1.00 0.00 H new ATOM 661 N VAL A 47 -10.704 -4.988 -3.117 1.00 0.00 N ATOM 662 CA VAL A 47 -9.960 -4.221 -2.091 1.00 0.00 C ATOM 663 C VAL A 47 -8.968 -5.133 -1.378 1.00 0.00 C ATOM 664 O VAL A 47 -7.965 -4.673 -0.875 1.00 0.00 O ATOM 665 CB VAL A 47 -10.976 -3.493 -1.153 1.00 0.00 C ATOM 666 CG1 VAL A 47 -10.513 -3.404 0.265 1.00 0.00 C ATOM 667 CG2 VAL A 47 -11.040 -2.040 -1.580 1.00 0.00 C ATOM 0 H VAL A 47 -11.664 -5.215 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.354 -3.436 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.908 -4.054 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.265 -2.887 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.362 -4.408 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.574 -2.852 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.743 -1.504 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.051 -1.590 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.372 -1.980 -2.617 1.00 0.00 H new ATOM 677 N GLY A 48 -9.225 -6.420 -1.364 1.00 0.00 N ATOM 678 CA GLY A 48 -8.278 -7.382 -0.718 1.00 0.00 C ATOM 679 C GLY A 48 -6.894 -7.234 -1.349 1.00 0.00 C ATOM 680 O GLY A 48 -5.894 -7.466 -0.713 1.00 0.00 O ATOM 0 H GLY A 48 -10.055 -6.847 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.223 -7.191 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.639 -8.403 -0.842 1.00 0.00 H new ATOM 684 N VAL A 49 -6.852 -6.848 -2.605 1.00 0.00 N ATOM 685 CA VAL A 49 -5.523 -6.666 -3.324 1.00 0.00 C ATOM 686 C VAL A 49 -5.114 -5.180 -3.332 1.00 0.00 C ATOM 687 O VAL A 49 -3.936 -4.852 -3.258 1.00 0.00 O ATOM 688 CB VAL A 49 -5.623 -7.208 -4.766 1.00 0.00 C ATOM 689 CG1 VAL A 49 -6.698 -6.447 -5.550 1.00 0.00 C ATOM 690 CG2 VAL A 49 -4.259 -7.057 -5.470 1.00 0.00 C ATOM 0 H VAL A 49 -7.675 -6.648 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.756 -7.229 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.899 -8.262 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.756 -6.841 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.663 -6.569 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.441 -5.388 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.331 -7.440 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.978 -6.004 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.503 -7.620 -4.923 1.00 0.00 H new ATOM 700 N LEU A 50 -6.078 -4.306 -3.392 1.00 0.00 N ATOM 701 CA LEU A 50 -5.819 -2.834 -3.375 1.00 0.00 C ATOM 702 C LEU A 50 -5.210 -2.413 -2.039 1.00 0.00 C ATOM 703 O LEU A 50 -4.659 -1.324 -1.910 1.00 0.00 O ATOM 704 CB LEU A 50 -7.161 -2.140 -3.492 1.00 0.00 C ATOM 705 CG LEU A 50 -7.564 -1.831 -4.926 1.00 0.00 C ATOM 706 CD1 LEU A 50 -9.100 -1.904 -5.038 1.00 0.00 C ATOM 707 CD2 LEU A 50 -7.122 -0.405 -5.263 1.00 0.00 C ATOM 0 H LEU A 50 -7.065 -4.556 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.138 -2.575 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.926 -2.768 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.131 -1.210 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.100 -2.545 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.401 -1.684 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.437 -2.905 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.549 -1.175 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.405 -0.169 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.606 0.296 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.040 -0.325 -5.157 1.00 0.00 H new ATOM 719 N VAL A 51 -5.395 -3.226 -1.036 1.00 0.00 N ATOM 720 CA VAL A 51 -4.939 -2.868 0.342 1.00 0.00 C ATOM 721 C VAL A 51 -4.338 -4.083 1.081 1.00 0.00 C ATOM 722 O VAL A 51 -3.669 -3.926 2.097 1.00 0.00 O ATOM 723 CB VAL A 51 -6.214 -2.337 1.088 1.00 0.00 C ATOM 724 CG1 VAL A 51 -6.963 -1.332 0.195 1.00 0.00 C ATOM 725 CG2 VAL A 51 -7.161 -3.524 1.434 1.00 0.00 C ATOM 0 H VAL A 51 -5.849 -4.136 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.147 -2.120 0.307 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.902 -1.843 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.847 -0.968 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.307 -0.493 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.266 -1.823 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.043 -3.147 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.466 -4.026 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.638 -4.231 2.077 1.00 0.00 H new ATOM 735 N GLY A 52 -4.592 -5.290 0.591 1.00 0.00 N ATOM 736 CA GLY A 52 -4.078 -6.515 1.248 1.00 0.00 C ATOM 737 C GLY A 52 -2.604 -6.400 1.539 1.00 0.00 C ATOM 738 O GLY A 52 -1.856 -5.714 0.848 1.00 0.00 O ATOM 0 H GLY A 52 -5.144 -5.461 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.622 -6.688 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.259 -7.378 0.607 1.00 0.00 H new ATOM 822 N PHE A 58 -0.103 -8.888 -7.464 1.00 0.00 N ATOM 823 CA PHE A 58 -0.764 -7.785 -8.304 1.00 0.00 C ATOM 824 C PHE A 58 0.215 -6.687 -8.821 1.00 0.00 C ATOM 825 O PHE A 58 -0.105 -6.017 -9.785 1.00 0.00 O ATOM 826 CB PHE A 58 -1.916 -7.148 -7.510 1.00 0.00 C ATOM 827 CG PHE A 58 -1.388 -6.358 -6.342 1.00 0.00 C ATOM 828 CD1 PHE A 58 -1.047 -7.013 -5.154 1.00 0.00 C ATOM 829 CD2 PHE A 58 -1.254 -4.968 -6.442 1.00 0.00 C ATOM 830 CE1 PHE A 58 -0.571 -6.278 -4.066 1.00 0.00 C ATOM 831 CE2 PHE A 58 -0.783 -4.236 -5.354 1.00 0.00 C ATOM 832 CZ PHE A 58 -0.438 -4.889 -4.164 1.00 0.00 C ATOM 0 HA PHE A 58 -1.142 -8.276 -9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.497 -6.496 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.591 -7.926 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.152 -8.085 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.515 -4.464 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.305 -6.782 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.684 -3.163 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.070 -4.321 -3.323 1.00 0.00 H new ATOM 842 N TYR A 59 1.377 -6.462 -8.205 1.00 0.00 N ATOM 843 CA TYR A 59 2.301 -5.374 -8.736 1.00 0.00 C ATOM 844 C TYR A 59 2.755 -5.636 -10.175 1.00 0.00 C ATOM 845 O TYR A 59 3.392 -4.783 -10.785 1.00 0.00 O ATOM 846 CB TYR A 59 3.528 -5.205 -7.852 1.00 0.00 C ATOM 847 CG TYR A 59 3.136 -4.750 -6.486 1.00 0.00 C ATOM 848 CD1 TYR A 59 2.330 -3.631 -6.334 1.00 0.00 C ATOM 849 CD2 TYR A 59 3.602 -5.431 -5.372 1.00 0.00 C ATOM 850 CE1 TYR A 59 1.986 -3.187 -5.055 1.00 0.00 C ATOM 851 CE2 TYR A 59 3.262 -4.994 -4.099 1.00 0.00 C ATOM 852 CZ TYR A 59 2.455 -3.872 -3.936 1.00 0.00 C ATOM 853 OH TYR A 59 2.120 -3.442 -2.667 1.00 0.00 O ATOM 0 H TYR A 59 1.716 -6.966 -7.386 1.00 0.00 H new ATOM 0 HA TYR A 59 1.713 -4.456 -8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.067 -6.150 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.208 -4.481 -8.300 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.969 -3.103 -7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.229 -6.301 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.359 -2.316 -4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.625 -5.526 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 59 2.502 -2.553 -2.511 1.00 0.00 H new ATOM 863 N VAL A 60 2.463 -6.789 -10.706 1.00 0.00 N ATOM 864 CA VAL A 60 2.880 -7.131 -12.076 1.00 0.00 C ATOM 865 C VAL A 60 1.663 -7.315 -12.976 1.00 0.00 C ATOM 866 O VAL A 60 1.685 -6.945 -14.146 1.00 0.00 O ATOM 867 CB VAL A 60 3.672 -8.420 -12.020 1.00 0.00 C ATOM 868 CG1 VAL A 60 4.915 -8.207 -11.159 1.00 0.00 C ATOM 869 CG2 VAL A 60 2.831 -9.571 -11.426 1.00 0.00 C ATOM 0 H VAL A 60 1.939 -7.522 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 60 3.488 -6.325 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 60 3.955 -8.694 -13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.490 -9.132 -11.115 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.529 -7.419 -11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.615 -7.918 -10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.429 -10.482 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.521 -9.311 -10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.948 -9.734 -12.045 1.00 0.00 H new ATOM 879 N ASN A 61 0.612 -7.896 -12.440 1.00 0.00 N ATOM 880 CA ASN A 61 -0.607 -8.142 -13.222 1.00 0.00 C ATOM 881 C ASN A 61 -1.582 -6.969 -13.058 1.00 0.00 C ATOM 882 O ASN A 61 -2.092 -6.440 -14.037 1.00 0.00 O ATOM 883 CB ASN A 61 -1.235 -9.467 -12.765 1.00 0.00 C ATOM 884 CG ASN A 61 -1.604 -9.454 -11.291 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.573 -8.846 -10.892 1.00 0.00 O ATOM 886 ND2 ASN A 61 -0.872 -10.145 -10.457 1.00 0.00 N ATOM 0 H ASN A 61 0.564 -8.210 -11.471 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.364 -8.220 -14.282 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.127 -9.667 -13.359 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.536 -10.282 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.116 -10.173 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.057 -10.656 -10.796 1.00 0.00 H new ATOM 893 N GLY A 62 -1.828 -6.557 -11.831 1.00 0.00 N ATOM 894 CA GLY A 62 -2.746 -5.419 -11.559 1.00 0.00 C ATOM 895 C GLY A 62 -3.681 -5.806 -10.430 1.00 0.00 C ATOM 896 O GLY A 62 -4.058 -6.966 -10.308 1.00 0.00 O ATOM 0 H GLY A 62 -1.418 -6.976 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.176 -4.530 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.317 -5.172 -12.454 1.00 0.00 H new ATOM 900 N LEU A 63 -4.078 -4.845 -9.602 1.00 0.00 N ATOM 901 CA LEU A 63 -5.019 -5.177 -8.474 1.00 0.00 C ATOM 902 C LEU A 63 -6.411 -5.201 -9.053 1.00 0.00 C ATOM 903 O LEU A 63 -6.566 -5.651 -10.180 1.00 0.00 O ATOM 904 CB LEU A 63 -4.850 -4.234 -7.206 1.00 0.00 C ATOM 905 CG LEU A 63 -4.583 -2.806 -7.599 1.00 0.00 C ATOM 906 CD1 LEU A 63 -5.859 -2.232 -8.188 1.00 0.00 C ATOM 907 CD2 LEU A 63 -4.170 -2.008 -6.351 1.00 0.00 C ATOM 0 H LEU A 63 -3.794 -3.867 -9.661 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.783 -6.158 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.753 -4.280 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.030 -4.600 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.779 -2.750 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.690 -1.196 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.150 -2.814 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.654 -2.274 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.975 -0.972 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.974 -2.041 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.268 -2.444 -5.922 1.00 0.00 H new ATOM 919 N THR A 64 -7.422 -4.762 -8.345 1.00 0.00 N ATOM 920 CA THR A 64 -8.774 -4.837 -8.872 1.00 0.00 C ATOM 921 C THR A 64 -9.659 -3.911 -8.103 1.00 0.00 C ATOM 922 O THR A 64 -9.618 -3.861 -6.884 1.00 0.00 O ATOM 923 CB THR A 64 -9.304 -6.268 -8.695 1.00 0.00 C ATOM 924 OG1 THR A 64 -8.907 -6.762 -7.425 1.00 0.00 O ATOM 925 CG2 THR A 64 -8.748 -7.183 -9.771 1.00 0.00 C ATOM 0 H THR A 64 -7.344 -4.353 -7.414 1.00 0.00 H new ATOM 0 HA THR A 64 -8.767 -4.561 -9.926 1.00 0.00 H new ATOM 0 HB THR A 64 -10.391 -6.247 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.204 -7.691 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.136 -8.191 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.048 -6.815 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.660 -7.200 -9.707 1.00 0.00 H new ATOM 933 N LEU A 65 -10.467 -3.209 -8.809 1.00 0.00 N ATOM 934 CA LEU A 65 -11.443 -2.276 -8.198 1.00 0.00 C ATOM 935 C LEU A 65 -12.837 -2.513 -8.822 1.00 0.00 C ATOM 936 O LEU A 65 -13.113 -2.151 -9.947 1.00 0.00 O ATOM 937 CB LEU A 65 -10.962 -0.816 -8.313 1.00 0.00 C ATOM 938 CG LEU A 65 -10.051 -0.570 -9.551 1.00 0.00 C ATOM 939 CD1 LEU A 65 -10.798 -0.808 -10.852 1.00 0.00 C ATOM 940 CD2 LEU A 65 -9.547 0.877 -9.506 1.00 0.00 C ATOM 0 H LEU A 65 -10.499 -3.238 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.525 -2.473 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.829 -0.157 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.416 -0.547 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.217 -1.271 -9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.130 -0.626 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.152 -1.838 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.649 -0.130 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.906 1.066 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.397 1.559 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.979 1.036 -8.590 1.00 0.00 H new ATOM 952 N GLY A 66 -13.701 -3.198 -8.077 1.00 0.00 N ATOM 953 CA GLY A 66 -15.066 -3.542 -8.587 1.00 0.00 C ATOM 954 C GLY A 66 -14.935 -4.715 -9.566 1.00 0.00 C ATOM 955 O GLY A 66 -15.753 -4.885 -10.463 1.00 0.00 O ATOM 0 H GLY A 66 -13.505 -3.530 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.724 -3.810 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.513 -2.681 -9.084 1.00 0.00 H new ATOM 959 N GLY A 67 -13.889 -5.521 -9.405 1.00 0.00 N ATOM 960 CA GLY A 67 -13.661 -6.670 -10.317 1.00 0.00 C ATOM 961 C GLY A 67 -12.923 -6.182 -11.575 1.00 0.00 C ATOM 962 O GLY A 67 -12.839 -6.906 -12.561 1.00 0.00 O ATOM 0 H GLY A 67 -13.190 -5.415 -8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.075 -7.438 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.613 -7.124 -10.593 1.00 0.00 H new ATOM 966 N GLN A 68 -12.379 -4.942 -11.555 1.00 0.00 N ATOM 967 CA GLN A 68 -11.644 -4.424 -12.767 1.00 0.00 C ATOM 968 C GLN A 68 -10.131 -4.481 -12.514 1.00 0.00 C ATOM 969 O GLN A 68 -9.581 -3.695 -11.764 1.00 0.00 O ATOM 970 CB GLN A 68 -12.091 -3.001 -13.070 1.00 0.00 C ATOM 971 CG GLN A 68 -11.140 -2.270 -14.090 1.00 0.00 C ATOM 972 CD GLN A 68 -10.681 -3.230 -15.216 1.00 0.00 C ATOM 973 OE1 GLN A 68 -11.492 -3.861 -15.862 1.00 0.00 O ATOM 974 NE2 GLN A 68 -9.400 -3.356 -15.470 1.00 0.00 N ATOM 0 H GLN A 68 -12.422 -4.299 -10.764 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.874 -5.047 -13.631 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.103 -3.021 -13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.129 -2.431 -12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.658 -1.416 -14.526 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.269 -1.880 -13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.718 -2.826 -14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.086 -3.984 -16.210 1.00 0.00 H new ATOM 983 N LYS A 69 -9.482 -5.423 -13.145 1.00 0.00 N ATOM 984 CA LYS A 69 -8.002 -5.611 -12.986 1.00 0.00 C ATOM 985 C LYS A 69 -7.221 -4.429 -13.572 1.00 0.00 C ATOM 986 O LYS A 69 -7.094 -4.315 -14.787 1.00 0.00 O ATOM 987 CB LYS A 69 -7.601 -6.901 -13.725 1.00 0.00 C ATOM 988 CG LYS A 69 -6.768 -7.798 -12.805 1.00 0.00 C ATOM 989 CD LYS A 69 -7.171 -9.253 -13.028 1.00 0.00 C ATOM 990 CE LYS A 69 -5.983 -10.169 -12.726 1.00 0.00 C ATOM 991 NZ LYS A 69 -5.663 -10.100 -11.274 1.00 0.00 N ATOM 0 H LYS A 69 -9.923 -6.088 -13.780 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.764 -5.675 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.494 -7.433 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.029 -6.654 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.706 -7.666 -13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.927 -7.519 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.013 -9.510 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.500 -9.396 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.219 -11.195 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.117 -9.867 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.727 -9.665 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.382 -9.527 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.656 -11.060 -10.874 1.00 0.00 H new ATOM 1005 N CYS A 70 -6.648 -3.564 -12.717 1.00 0.00 N ATOM 1006 CA CYS A 70 -5.832 -2.422 -13.249 1.00 0.00 C ATOM 1007 C CYS A 70 -4.380 -2.610 -12.807 1.00 0.00 C ATOM 1008 O CYS A 70 -4.071 -2.781 -11.639 1.00 0.00 O ATOM 1009 CB CYS A 70 -6.372 -1.104 -12.783 1.00 0.00 C ATOM 1010 SG CYS A 70 -6.839 -1.150 -11.043 1.00 0.00 S ATOM 0 H CYS A 70 -6.719 -3.613 -11.701 1.00 0.00 H new ATOM 0 HA CYS A 70 -5.884 -2.417 -14.338 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.622 -0.329 -12.938 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.239 -0.833 -13.385 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.890 0.062 -10.575 1.00 0.00 H new ATOM 1016 N SER A 71 -3.523 -2.634 -13.768 1.00 0.00 N ATOM 1017 CA SER A 71 -2.043 -2.875 -13.558 1.00 0.00 C ATOM 1018 C SER A 71 -1.322 -1.731 -12.869 1.00 0.00 C ATOM 1019 O SER A 71 -1.294 -0.618 -13.345 1.00 0.00 O ATOM 1020 CB SER A 71 -1.452 -3.070 -14.887 1.00 0.00 C ATOM 1021 OG SER A 71 -1.637 -1.874 -15.624 1.00 0.00 O ATOM 0 H SER A 71 -3.779 -2.492 -14.745 1.00 0.00 H new ATOM 0 HA SER A 71 -1.933 -3.740 -12.904 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.391 -3.306 -14.802 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.926 -3.909 -15.396 1.00 0.00 H new ATOM 0 HG SER A 71 -1.712 -1.117 -15.006 1.00 0.00 H new ATOM 1027 N VAL A 72 -0.699 -2.028 -11.765 1.00 0.00 N ATOM 1028 CA VAL A 72 0.068 -0.992 -11.011 1.00 0.00 C ATOM 1029 C VAL A 72 1.264 -0.512 -11.790 1.00 0.00 C ATOM 1030 O VAL A 72 2.287 -1.199 -11.893 1.00 0.00 O ATOM 1031 CB VAL A 72 0.585 -1.521 -9.696 1.00 0.00 C ATOM 1032 CG1 VAL A 72 0.871 -0.357 -8.796 1.00 0.00 C ATOM 1033 CG2 VAL A 72 -0.416 -2.419 -9.036 1.00 0.00 C ATOM 0 H VAL A 72 -0.687 -2.957 -11.345 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.634 -0.175 -10.841 1.00 0.00 H new ATOM 0 HB VAL A 72 1.488 -2.102 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.246 -0.720 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.620 0.286 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.045 0.212 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.012 -2.782 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.335 -1.863 -8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.631 -3.265 -9.688 1.00 0.00 H new ATOM 1043 N ILE A 73 1.169 0.687 -12.284 1.00 0.00 N ATOM 1044 CA ILE A 73 2.255 1.301 -12.976 1.00 0.00 C ATOM 1045 C ILE A 73 2.924 2.290 -11.941 1.00 0.00 C ATOM 1046 O ILE A 73 2.843 3.491 -12.004 1.00 0.00 O ATOM 1047 CB ILE A 73 1.739 1.957 -14.261 1.00 0.00 C ATOM 1048 CG1 ILE A 73 1.649 0.856 -15.383 1.00 0.00 C ATOM 1049 CG2 ILE A 73 2.686 3.082 -14.727 1.00 0.00 C ATOM 1050 CD1 ILE A 73 0.247 0.842 -16.052 1.00 0.00 C ATOM 0 H ILE A 73 0.332 1.266 -12.216 1.00 0.00 H new ATOM 0 HA ILE A 73 3.016 0.598 -13.316 1.00 0.00 H new ATOM 0 HB ILE A 73 0.759 2.394 -14.068 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.413 1.041 -16.139 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.858 -0.123 -14.952 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.296 3.531 -15.641 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.756 3.844 -13.950 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.676 2.668 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.219 0.071 -16.822 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.513 0.632 -15.300 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.050 1.814 -16.505 1.00 0.00 H new ATOM 1062 N ARG A 74 3.516 1.682 -10.971 1.00 0.00 N ATOM 1063 CA ARG A 74 4.255 2.354 -9.803 1.00 0.00 C ATOM 1064 C ARG A 74 3.437 2.227 -8.550 1.00 0.00 C ATOM 1065 O ARG A 74 2.344 2.736 -8.471 1.00 0.00 O ATOM 1066 CB ARG A 74 4.585 3.834 -10.058 1.00 0.00 C ATOM 1067 CG ARG A 74 5.858 4.203 -9.288 1.00 0.00 C ATOM 1068 CD ARG A 74 6.632 5.279 -10.054 1.00 0.00 C ATOM 1069 NE ARG A 74 7.725 4.642 -10.846 1.00 0.00 N ATOM 1070 CZ ARG A 74 7.455 4.040 -11.977 1.00 0.00 C ATOM 1071 NH1 ARG A 74 6.666 4.610 -12.850 1.00 0.00 N ATOM 1072 NH2 ARG A 74 7.980 2.875 -12.239 1.00 0.00 N ATOM 0 H ARG A 74 3.536 0.664 -10.909 1.00 0.00 H new ATOM 0 HA ARG A 74 5.208 1.836 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.726 4.010 -11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.756 4.465 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.600 4.566 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.482 3.319 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.959 5.823 -10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.050 6.006 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 74 8.686 4.676 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.260 5.524 -12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.456 4.140 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.602 2.432 -11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.769 2.407 -13.120 1.00 0.00 H new ATOM 1086 N ASP A 75 3.963 1.525 -7.551 1.00 0.00 N ATOM 1087 CA ASP A 75 3.205 1.342 -6.280 1.00 0.00 C ATOM 1088 C ASP A 75 3.777 2.197 -5.138 1.00 0.00 C ATOM 1089 O ASP A 75 4.703 1.803 -4.444 1.00 0.00 O ATOM 1090 CB ASP A 75 3.126 -0.191 -5.915 1.00 0.00 C ATOM 1091 CG ASP A 75 3.083 -0.444 -4.382 1.00 0.00 C ATOM 1092 OD1 ASP A 75 2.434 0.320 -3.689 1.00 0.00 O ATOM 1093 OD2 ASP A 75 3.707 -1.395 -3.942 1.00 0.00 O ATOM 0 H ASP A 75 4.880 1.079 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 75 2.187 1.701 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.238 -0.624 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.988 -0.706 -6.340 1.00 0.00 H new ATOM 1098 N SER A 76 3.151 3.338 -4.915 1.00 0.00 N ATOM 1099 CA SER A 76 3.534 4.239 -3.784 1.00 0.00 C ATOM 1100 C SER A 76 2.252 4.473 -2.936 1.00 0.00 C ATOM 1101 O SER A 76 2.101 5.475 -2.308 1.00 0.00 O ATOM 1102 CB SER A 76 4.075 5.590 -4.313 1.00 0.00 C ATOM 1103 OG SER A 76 5.276 5.911 -3.624 1.00 0.00 O ATOM 0 H SER A 76 2.378 3.683 -5.484 1.00 0.00 H new ATOM 0 HA SER A 76 4.324 3.784 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.262 5.527 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.334 6.376 -4.164 1.00 0.00 H new ATOM 0 HG SER A 76 5.788 6.564 -4.145 1.00 0.00 H new ATOM 1109 N LEU A 77 1.329 3.507 -2.965 1.00 0.00 N ATOM 1110 CA LEU A 77 0.003 3.592 -2.210 1.00 0.00 C ATOM 1111 C LEU A 77 0.214 3.629 -0.727 1.00 0.00 C ATOM 1112 O LEU A 77 -0.630 4.157 -0.010 1.00 0.00 O ATOM 1113 CB LEU A 77 -0.802 2.343 -2.607 1.00 0.00 C ATOM 1114 CG LEU A 77 -2.204 2.360 -2.036 1.00 0.00 C ATOM 1115 CD1 LEU A 77 -3.129 1.596 -3.003 1.00 0.00 C ATOM 1116 CD2 LEU A 77 -2.204 1.653 -0.682 1.00 0.00 C ATOM 0 H LEU A 77 1.444 2.642 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.525 4.510 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.855 2.277 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.281 1.451 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.549 3.386 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.146 1.596 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.117 2.082 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.780 0.569 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.212 1.663 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.874 0.622 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.526 2.169 -0.002 1.00 0.00 H new ATOM 1128 N LEU A 78 1.319 3.128 -0.229 1.00 0.00 N ATOM 1129 CA LEU A 78 1.544 3.202 1.228 1.00 0.00 C ATOM 1130 C LEU A 78 2.486 4.363 1.508 1.00 0.00 C ATOM 1131 O LEU A 78 3.536 4.471 0.938 1.00 0.00 O ATOM 1132 CB LEU A 78 2.010 1.876 1.743 1.00 0.00 C ATOM 1133 CG LEU A 78 0.816 0.878 1.629 1.00 0.00 C ATOM 1134 CD1 LEU A 78 1.246 -0.554 1.987 1.00 0.00 C ATOM 1135 CD2 LEU A 78 -0.324 1.318 2.578 1.00 0.00 C ATOM 0 H LEU A 78 2.059 2.679 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 78 0.622 3.407 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.863 1.520 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.339 1.962 2.778 1.00 0.00 H new ATOM 0 HG LEU A 78 0.470 0.886 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.391 -1.224 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.034 -0.878 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.619 -0.577 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.156 0.619 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.041 1.328 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.661 2.317 2.303 1.00 0.00 H new ATOM 1183 N GLU A 82 4.003 9.477 -0.277 1.00 0.00 N ATOM 1184 CA GLU A 82 3.289 9.459 -1.575 1.00 0.00 C ATOM 1185 C GLU A 82 1.811 8.960 -1.514 1.00 0.00 C ATOM 1186 O GLU A 82 0.895 9.642 -1.939 1.00 0.00 O ATOM 1187 CB GLU A 82 4.030 8.468 -2.458 1.00 0.00 C ATOM 1188 CG GLU A 82 5.127 9.140 -3.273 1.00 0.00 C ATOM 1189 CD GLU A 82 6.470 8.993 -2.550 1.00 0.00 C ATOM 1190 OE1 GLU A 82 6.795 7.880 -2.170 1.00 0.00 O ATOM 1191 OE2 GLU A 82 7.149 9.993 -2.392 1.00 0.00 O ATOM 0 HA GLU A 82 3.265 10.488 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.467 7.686 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.323 7.983 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.185 8.690 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.893 10.195 -3.416 1.00 0.00 H new ATOM 1198 N PHE A 83 1.634 7.706 -1.134 1.00 0.00 N ATOM 1199 CA PHE A 83 0.277 6.999 -1.188 1.00 0.00 C ATOM 1200 C PHE A 83 -0.249 6.952 -2.644 1.00 0.00 C ATOM 1201 O PHE A 83 -1.345 6.468 -2.869 1.00 0.00 O ATOM 1202 CB PHE A 83 -0.837 7.575 -0.333 1.00 0.00 C ATOM 1203 CG PHE A 83 -0.488 8.899 0.309 1.00 0.00 C ATOM 1204 CD1 PHE A 83 0.462 8.941 1.307 1.00 0.00 C ATOM 1205 CD2 PHE A 83 -1.129 10.076 -0.103 1.00 0.00 C ATOM 1206 CE1 PHE A 83 0.794 10.158 1.919 1.00 0.00 C ATOM 1207 CE2 PHE A 83 -0.804 11.296 0.503 1.00 0.00 C ATOM 1208 CZ PHE A 83 0.160 11.337 1.516 1.00 0.00 C ATOM 0 H PHE A 83 2.388 7.119 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 83 0.504 6.016 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.727 7.704 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.091 6.858 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.953 8.031 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.872 10.042 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.539 10.185 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.297 12.204 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.414 12.276 1.985 1.00 0.00 H new ATOM 1218 N SER A 84 0.495 7.444 -3.631 1.00 0.00 N ATOM 1219 CA SER A 84 -0.019 7.418 -5.022 1.00 0.00 C ATOM 1220 C SER A 84 0.531 6.213 -5.743 1.00 0.00 C ATOM 1221 O SER A 84 1.714 5.900 -5.675 1.00 0.00 O ATOM 1222 CB SER A 84 0.346 8.702 -5.745 1.00 0.00 C ATOM 1223 OG SER A 84 1.656 9.117 -5.368 1.00 0.00 O ATOM 0 H SER A 84 1.422 7.853 -3.516 1.00 0.00 H new ATOM 0 HA SER A 84 -1.106 7.345 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.300 8.548 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.375 9.483 -5.504 1.00 0.00 H new ATOM 0 HG SER A 84 1.885 9.945 -5.840 1.00 0.00 H new ATOM 1229 N MET A 85 -0.350 5.517 -6.399 1.00 0.00 N ATOM 1230 CA MET A 85 0.001 4.272 -7.134 1.00 0.00 C ATOM 1231 C MET A 85 -0.634 4.366 -8.487 1.00 0.00 C ATOM 1232 O MET A 85 -1.843 4.522 -8.557 1.00 0.00 O ATOM 1233 CB MET A 85 -0.665 3.159 -6.364 1.00 0.00 C ATOM 1234 CG MET A 85 -0.247 1.798 -6.846 1.00 0.00 C ATOM 1235 SD MET A 85 0.137 0.757 -5.415 1.00 0.00 S ATOM 1236 CE MET A 85 -0.610 -0.754 -5.990 1.00 0.00 C ATOM 0 H MET A 85 -1.336 5.770 -6.458 1.00 0.00 H new ATOM 0 HA MET A 85 1.075 4.114 -7.233 1.00 0.00 H new ATOM 0 HB2 MET A 85 -0.422 3.257 -5.306 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.747 3.256 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.044 1.347 -7.437 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.624 1.880 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.220 -1.184 -5.195 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.238 -0.543 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.170 -1.461 -6.271 1.00 0.00 H new ATOM 1246 N ASP A 86 0.109 4.245 -9.588 1.00 0.00 N ATOM 1247 CA ASP A 86 -0.587 4.321 -10.877 1.00 0.00 C ATOM 1248 C ASP A 86 -1.119 2.983 -11.147 1.00 0.00 C ATOM 1249 O ASP A 86 -0.503 2.010 -10.797 1.00 0.00 O ATOM 1250 CB ASP A 86 0.337 4.680 -11.982 1.00 0.00 C ATOM 1251 CG ASP A 86 0.738 6.155 -11.897 1.00 0.00 C ATOM 1252 OD1 ASP A 86 1.565 6.475 -11.054 1.00 0.00 O ATOM 1253 OD2 ASP A 86 0.221 6.940 -12.674 1.00 0.00 O ATOM 0 H ASP A 86 1.119 4.104 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.362 5.085 -10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.227 4.053 -11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.142 4.483 -12.941 1.00 0.00 H new ATOM 1258 N LEU A 87 -2.262 2.915 -11.740 1.00 0.00 N ATOM 1259 CA LEU A 87 -2.871 1.646 -12.053 1.00 0.00 C ATOM 1260 C LEU A 87 -3.599 1.794 -13.359 1.00 0.00 C ATOM 1261 O LEU A 87 -4.159 2.824 -13.588 1.00 0.00 O ATOM 1262 CB LEU A 87 -3.822 1.349 -10.991 1.00 0.00 C ATOM 1263 CG LEU A 87 -3.094 0.793 -9.769 1.00 0.00 C ATOM 1264 CD1 LEU A 87 -3.477 1.614 -8.529 1.00 0.00 C ATOM 1265 CD2 LEU A 87 -3.487 -0.650 -9.575 1.00 0.00 C ATOM 0 H LEU A 87 -2.807 3.728 -12.025 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.134 0.847 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.367 2.253 -10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.558 0.627 -11.344 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.016 0.857 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.958 1.218 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.192 2.655 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.554 1.552 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.971 -1.054 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.564 -0.716 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.210 -1.224 -10.459 1.00 0.00 H new ATOM 1277 N ARG A 88 -3.608 0.789 -14.245 1.00 0.00 N ATOM 1278 CA ARG A 88 -4.375 0.993 -15.523 1.00 0.00 C ATOM 1279 C ARG A 88 -4.932 -0.292 -16.084 1.00 0.00 C ATOM 1280 O ARG A 88 -4.218 -1.228 -16.355 1.00 0.00 O ATOM 1281 CB ARG A 88 -3.498 1.696 -16.603 1.00 0.00 C ATOM 1282 CG ARG A 88 -2.743 0.729 -17.566 1.00 0.00 C ATOM 1283 CD ARG A 88 -2.087 1.582 -18.648 1.00 0.00 C ATOM 1284 NE ARG A 88 -0.722 1.055 -18.954 1.00 0.00 N ATOM 1285 CZ ARG A 88 -0.071 1.486 -19.998 1.00 0.00 C ATOM 1286 NH1 ARG A 88 0.383 2.709 -20.030 1.00 0.00 N ATOM 1287 NH2 ARG A 88 0.129 0.687 -21.009 1.00 0.00 N ATOM 0 H ARG A 88 -3.140 -0.111 -14.136 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.217 1.635 -15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.135 2.353 -17.196 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.767 2.329 -16.101 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.993 0.155 -17.023 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.434 0.012 -18.009 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.699 1.575 -19.550 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.020 2.618 -18.316 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.299 0.356 -18.344 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.229 3.331 -19.236 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.892 3.043 -20.848 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.223 -0.270 -20.980 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.638 1.019 -21.828 1.00 0.00 H new ATOM 1301 N THR A 89 -6.216 -0.281 -16.338 1.00 0.00 N ATOM 1302 CA THR A 89 -6.906 -1.437 -16.986 1.00 0.00 C ATOM 1303 C THR A 89 -6.164 -1.719 -18.308 1.00 0.00 C ATOM 1304 O THR A 89 -6.449 -1.098 -19.332 1.00 0.00 O ATOM 1305 CB THR A 89 -8.428 -1.078 -17.284 1.00 0.00 C ATOM 1306 OG1 THR A 89 -8.604 -0.504 -18.578 1.00 0.00 O ATOM 1307 CG2 THR A 89 -8.967 -0.081 -16.264 1.00 0.00 C ATOM 0 H THR A 89 -6.830 0.503 -16.117 1.00 0.00 H new ATOM 0 HA THR A 89 -6.892 -2.310 -16.333 1.00 0.00 H new ATOM 0 HB THR A 89 -8.972 -2.021 -17.226 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.736 -0.210 -18.926 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.008 0.146 -16.492 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.900 -0.511 -15.265 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.379 0.836 -16.305 1.00 0.00 H new ATOM 1315 N LYS A 90 -5.193 -2.604 -18.289 1.00 0.00 N ATOM 1316 CA LYS A 90 -4.441 -2.870 -19.497 1.00 0.00 C ATOM 1317 C LYS A 90 -5.253 -3.880 -20.299 1.00 0.00 C ATOM 1318 O LYS A 90 -5.832 -4.805 -19.742 1.00 0.00 O ATOM 1319 CB LYS A 90 -3.044 -3.433 -19.184 1.00 0.00 C ATOM 1320 CG LYS A 90 -2.502 -2.973 -17.852 1.00 0.00 C ATOM 1321 CD LYS A 90 -0.976 -3.250 -17.863 1.00 0.00 C ATOM 1322 CE LYS A 90 -0.685 -4.659 -17.312 1.00 0.00 C ATOM 1323 NZ LYS A 90 -0.181 -5.536 -18.411 1.00 0.00 N ATOM 0 H LYS A 90 -4.909 -3.142 -17.470 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.284 -1.947 -20.056 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.088 -4.522 -19.195 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.354 -3.134 -19.973 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.700 -1.912 -17.701 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.985 -3.507 -17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.591 -3.163 -18.879 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.459 -2.503 -17.261 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.053 -4.602 -16.512 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.591 -5.085 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.014 -6.486 -18.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.899 -5.601 -19.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.693 -5.133 -18.804 1.00 0.00 H new ATOM 1434 N ASN A 99 -6.836 4.124 -17.289 1.00 0.00 N ATOM 1435 CA ASN A 99 -5.724 4.192 -16.298 1.00 0.00 C ATOM 1436 C ASN A 99 -6.277 4.543 -15.008 1.00 0.00 C ATOM 1437 O ASN A 99 -7.437 4.378 -14.798 1.00 0.00 O ATOM 1438 CB ASN A 99 -4.554 5.123 -16.734 1.00 0.00 C ATOM 1439 CG ASN A 99 -4.063 4.795 -18.137 1.00 0.00 C ATOM 1440 OD1 ASN A 99 -4.493 3.846 -18.755 1.00 0.00 O ATOM 1441 ND2 ASN A 99 -3.128 5.540 -18.649 1.00 0.00 N ATOM 0 HA ASN A 99 -5.258 3.209 -16.233 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.883 6.162 -16.698 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.729 5.025 -16.028 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.754 5.326 -19.574 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.768 6.338 -18.126 1.00 0.00 H new ATOM 1448 N VAL A 100 -5.465 4.910 -14.094 1.00 0.00 N ATOM 1449 CA VAL A 100 -5.934 5.155 -12.754 1.00 0.00 C ATOM 1450 C VAL A 100 -4.833 5.794 -11.928 1.00 0.00 C ATOM 1451 O VAL A 100 -3.654 5.760 -12.269 1.00 0.00 O ATOM 1452 CB VAL A 100 -6.183 3.778 -12.008 1.00 0.00 C ATOM 1453 CG1 VAL A 100 -7.101 3.990 -10.824 1.00 0.00 C ATOM 1454 CG2 VAL A 100 -6.785 2.650 -12.883 1.00 0.00 C ATOM 0 H VAL A 100 -4.465 5.053 -14.233 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.828 5.772 -12.839 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.189 3.446 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.267 3.039 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.644 4.696 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.055 4.388 -11.170 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.916 1.752 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.751 2.969 -13.274 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.112 2.434 -13.713 1.00 0.00 H new ATOM 1464 N THR A 101 -5.224 6.218 -10.785 1.00 0.00 N ATOM 1465 CA THR A 101 -4.305 6.714 -9.764 1.00 0.00 C ATOM 1466 C THR A 101 -4.959 6.262 -8.455 1.00 0.00 C ATOM 1467 O THR A 101 -6.175 6.296 -8.337 1.00 0.00 O ATOM 1468 CB THR A 101 -4.152 8.254 -9.798 1.00 0.00 C ATOM 1469 OG1 THR A 101 -3.336 8.619 -10.902 1.00 0.00 O ATOM 1470 CG2 THR A 101 -3.496 8.755 -8.490 1.00 0.00 C ATOM 0 H THR A 101 -6.204 6.241 -10.502 1.00 0.00 H new ATOM 0 HA THR A 101 -3.293 6.334 -9.905 1.00 0.00 H new ATOM 0 HB THR A 101 -5.138 8.708 -9.897 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.145 7.825 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.394 9.840 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.120 8.478 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.511 8.301 -8.380 1.00 0.00 H new ATOM 1478 N VAL A 102 -4.207 5.829 -7.508 1.00 0.00 N ATOM 1479 CA VAL A 102 -4.815 5.356 -6.252 1.00 0.00 C ATOM 1480 C VAL A 102 -4.075 5.971 -5.076 1.00 0.00 C ATOM 1481 O VAL A 102 -2.901 5.724 -4.844 1.00 0.00 O ATOM 1482 CB VAL A 102 -4.815 3.812 -6.283 1.00 0.00 C ATOM 1483 CG1 VAL A 102 -4.938 3.218 -4.869 1.00 0.00 C ATOM 1484 CG2 VAL A 102 -6.021 3.374 -7.093 1.00 0.00 C ATOM 0 H VAL A 102 -3.189 5.780 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.852 5.672 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.878 3.464 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.935 2.130 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.097 3.550 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.870 3.553 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -6.054 2.285 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.931 3.746 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.946 3.776 -8.104 1.00 0.00 H new ATOM 1494 N THR A 103 -4.791 6.796 -4.348 1.00 0.00 N ATOM 1495 CA THR A 103 -4.214 7.506 -3.170 1.00 0.00 C ATOM 1496 C THR A 103 -4.776 6.898 -1.899 1.00 0.00 C ATOM 1497 O THR A 103 -5.939 7.083 -1.587 1.00 0.00 O ATOM 1498 CB THR A 103 -4.583 8.976 -3.240 1.00 0.00 C ATOM 1499 OG1 THR A 103 -5.962 9.111 -3.564 1.00 0.00 O ATOM 1500 CG2 THR A 103 -3.724 9.651 -4.310 1.00 0.00 C ATOM 0 H THR A 103 -5.772 7.009 -4.528 1.00 0.00 H new ATOM 0 HA THR A 103 -3.129 7.406 -3.172 1.00 0.00 H new ATOM 0 HB THR A 103 -4.403 9.450 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.143 10.031 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.981 10.709 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.671 9.547 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.907 9.179 -5.275 1.00 0.00 H new ATOM 1508 N LYS A 104 -3.966 6.151 -1.177 1.00 0.00 N ATOM 1509 CA LYS A 104 -4.446 5.480 0.072 1.00 0.00 C ATOM 1510 C LYS A 104 -4.003 6.254 1.322 1.00 0.00 C ATOM 1511 O LYS A 104 -2.823 6.398 1.587 1.00 0.00 O ATOM 1512 CB LYS A 104 -3.857 4.075 0.109 1.00 0.00 C ATOM 1513 CG LYS A 104 -4.329 3.329 1.365 1.00 0.00 C ATOM 1514 CD LYS A 104 -5.299 2.232 0.973 1.00 0.00 C ATOM 1515 CE LYS A 104 -5.469 1.293 2.143 1.00 0.00 C ATOM 1516 NZ LYS A 104 -4.169 0.630 2.450 1.00 0.00 N ATOM 0 H LYS A 104 -2.987 5.979 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.535 5.447 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.157 3.525 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.768 4.130 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.474 2.902 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.810 4.024 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.260 2.661 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.925 1.690 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.822 1.844 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.225 0.543 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.346 -0.314 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.612 0.537 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.641 1.203 3.138 1.00 0.00 H new ATOM 1530 N THR A 105 -4.963 6.709 2.109 1.00 0.00 N ATOM 1531 CA THR A 105 -4.630 7.447 3.384 1.00 0.00 C ATOM 1532 C THR A 105 -4.249 6.402 4.471 1.00 0.00 C ATOM 1533 O THR A 105 -3.696 5.356 4.152 1.00 0.00 O ATOM 1534 CB THR A 105 -5.850 8.271 3.845 1.00 0.00 C ATOM 1535 OG1 THR A 105 -6.891 7.389 4.215 1.00 0.00 O ATOM 1536 CG2 THR A 105 -6.316 9.203 2.718 1.00 0.00 C ATOM 0 H THR A 105 -5.960 6.601 1.924 1.00 0.00 H new ATOM 0 HA THR A 105 -3.796 8.129 3.217 1.00 0.00 H new ATOM 0 HB THR A 105 -5.573 8.884 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.200 7.609 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.178 9.779 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 105 -5.507 9.883 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.595 8.610 1.847 1.00 0.00 H new ATOM 1544 N ASP A 106 -4.545 6.677 5.751 1.00 0.00 N ATOM 1545 CA ASP A 106 -4.209 5.708 6.843 1.00 0.00 C ATOM 1546 C ASP A 106 -5.408 4.797 7.118 1.00 0.00 C ATOM 1547 O ASP A 106 -5.244 3.679 7.587 1.00 0.00 O ATOM 1548 CB ASP A 106 -3.858 6.482 8.114 1.00 0.00 C ATOM 1549 CG ASP A 106 -3.316 5.515 9.175 1.00 0.00 C ATOM 1550 OD1 ASP A 106 -2.426 4.748 8.849 1.00 0.00 O ATOM 1551 OD2 ASP A 106 -3.803 5.560 10.294 1.00 0.00 O ATOM 0 H ASP A 106 -5.003 7.533 6.065 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.359 5.099 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.114 7.247 7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.741 6.996 8.494 1.00 0.00 H new ATOM 1556 N LYS A 107 -6.624 5.271 6.834 1.00 0.00 N ATOM 1557 CA LYS A 107 -7.852 4.428 7.090 1.00 0.00 C ATOM 1558 C LYS A 107 -8.908 4.690 5.997 1.00 0.00 C ATOM 1559 O LYS A 107 -10.096 4.537 6.221 1.00 0.00 O ATOM 1560 CB LYS A 107 -8.444 4.753 8.485 1.00 0.00 C ATOM 1561 CG LYS A 107 -7.315 4.886 9.518 1.00 0.00 C ATOM 1562 CD LYS A 107 -7.888 5.381 10.844 1.00 0.00 C ATOM 1563 CE LYS A 107 -6.782 6.068 11.647 1.00 0.00 C ATOM 1564 NZ LYS A 107 -7.169 6.122 13.086 1.00 0.00 N ATOM 0 H LYS A 107 -6.809 6.194 6.441 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.567 3.376 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.017 5.679 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.134 3.966 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.823 3.924 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.557 5.581 9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.707 6.077 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.299 4.545 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.844 5.524 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.615 7.076 11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.416 6.589 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.054 6.659 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.307 5.156 13.445 1.00 0.00 H new ATOM 1578 N THR A 108 -8.469 5.068 4.806 1.00 0.00 N ATOM 1579 CA THR A 108 -9.420 5.321 3.670 1.00 0.00 C ATOM 1580 C THR A 108 -8.686 4.936 2.371 1.00 0.00 C ATOM 1581 O THR A 108 -7.460 4.961 2.313 1.00 0.00 O ATOM 1582 CB THR A 108 -9.890 6.804 3.669 1.00 0.00 C ATOM 1583 OG1 THR A 108 -8.938 7.634 3.031 1.00 0.00 O ATOM 1584 CG2 THR A 108 -10.103 7.271 5.125 1.00 0.00 C ATOM 0 H THR A 108 -7.485 5.211 4.577 1.00 0.00 H new ATOM 0 HA THR A 108 -10.325 4.721 3.768 1.00 0.00 H new ATOM 0 HB THR A 108 -10.827 6.876 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.046 7.443 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.432 8.310 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.861 6.648 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.166 7.185 5.675 1.00 0.00 H new ATOM 1592 N LEU A 109 -9.420 4.525 1.370 1.00 0.00 N ATOM 1593 CA LEU A 109 -8.801 4.057 0.080 1.00 0.00 C ATOM 1594 C LEU A 109 -9.417 4.882 -1.089 1.00 0.00 C ATOM 1595 O LEU A 109 -10.494 4.565 -1.553 1.00 0.00 O ATOM 1596 CB LEU A 109 -9.208 2.585 -0.050 1.00 0.00 C ATOM 1597 CG LEU A 109 -8.159 1.718 -0.748 1.00 0.00 C ATOM 1598 CD1 LEU A 109 -8.864 0.550 -1.361 1.00 0.00 C ATOM 1599 CD2 LEU A 109 -7.450 2.471 -1.829 1.00 0.00 C ATOM 0 H LEU A 109 -10.439 4.491 1.386 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.718 4.178 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.398 2.180 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.145 2.523 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.417 1.404 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.139 -0.088 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.368 -0.021 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.600 0.907 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.713 1.822 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.172 2.803 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.948 3.338 -1.399 1.00 0.00 H new ATOM 1611 N VAL A 110 -8.756 5.953 -1.558 1.00 0.00 N ATOM 1612 CA VAL A 110 -9.353 6.786 -2.637 1.00 0.00 C ATOM 1613 C VAL A 110 -8.865 6.311 -4.011 1.00 0.00 C ATOM 1614 O VAL A 110 -7.715 5.914 -4.173 1.00 0.00 O ATOM 1615 CB VAL A 110 -8.939 8.259 -2.381 1.00 0.00 C ATOM 1616 CG1 VAL A 110 -9.182 9.134 -3.621 1.00 0.00 C ATOM 1617 CG2 VAL A 110 -9.761 8.804 -1.211 1.00 0.00 C ATOM 0 H VAL A 110 -7.842 6.262 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.439 6.698 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.874 8.286 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.881 10.160 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.597 8.751 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.241 9.113 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.480 9.840 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.822 8.755 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.568 8.206 -0.321 1.00 0.00 H new ATOM 1627 N LEU A 111 -9.739 6.387 -5.003 1.00 0.00 N ATOM 1628 CA LEU A 111 -9.368 5.994 -6.369 1.00 0.00 C ATOM 1629 C LEU A 111 -9.777 7.111 -7.323 1.00 0.00 C ATOM 1630 O LEU A 111 -10.778 7.784 -7.144 1.00 0.00 O ATOM 1631 CB LEU A 111 -10.088 4.677 -6.817 1.00 0.00 C ATOM 1632 CG LEU A 111 -10.097 3.644 -5.689 1.00 0.00 C ATOM 1633 CD1 LEU A 111 -11.400 2.833 -5.727 1.00 0.00 C ATOM 1634 CD2 LEU A 111 -8.902 2.671 -5.842 1.00 0.00 C ATOM 0 H LEU A 111 -10.700 6.712 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.292 5.819 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.112 4.902 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.584 4.262 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.019 4.174 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -11.396 2.100 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.250 3.504 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.480 2.318 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.921 1.941 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.974 2.154 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.968 3.232 -5.803 1.00 0.00 H new ATOM 1646 N LEU A 112 -9.015 7.267 -8.330 1.00 0.00 N ATOM 1647 CA LEU A 112 -9.285 8.264 -9.404 1.00 0.00 C ATOM 1648 C LEU A 112 -8.970 7.481 -10.630 1.00 0.00 C ATOM 1649 O LEU A 112 -7.814 7.272 -10.953 1.00 0.00 O ATOM 1650 CB LEU A 112 -8.333 9.440 -9.260 1.00 0.00 C ATOM 1651 CG LEU A 112 -8.492 10.547 -10.378 1.00 0.00 C ATOM 1652 CD1 LEU A 112 -9.922 10.642 -10.978 1.00 0.00 C ATOM 1653 CD2 LEU A 112 -8.088 11.901 -9.772 1.00 0.00 C ATOM 0 H LEU A 112 -8.165 6.723 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.292 8.680 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.488 9.901 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.309 9.067 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.845 10.266 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.947 11.424 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.190 9.688 -11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.633 10.881 -10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.190 12.682 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.735 12.128 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.052 11.854 -9.435 1.00 0.00 H new ATOM 1665 N MET A 113 -9.959 6.947 -11.247 1.00 0.00 N ATOM 1666 CA MET A 113 -9.679 6.006 -12.410 1.00 0.00 C ATOM 1667 C MET A 113 -10.151 6.533 -13.703 1.00 0.00 C ATOM 1668 O MET A 113 -11.006 7.326 -13.741 1.00 0.00 O ATOM 1669 CB MET A 113 -10.407 4.680 -12.130 1.00 0.00 C ATOM 1670 CG MET A 113 -10.067 3.625 -13.213 1.00 0.00 C ATOM 1671 SD MET A 113 -11.415 3.461 -14.401 1.00 0.00 S ATOM 1672 CE MET A 113 -11.700 1.682 -14.193 1.00 0.00 C ATOM 0 H MET A 113 -10.943 7.097 -11.026 1.00 0.00 H new ATOM 0 HA MET A 113 -8.599 5.880 -12.486 1.00 0.00 H new ATOM 0 HB2 MET A 113 -10.122 4.304 -11.148 1.00 0.00 H new ATOM 0 HB3 MET A 113 -11.484 4.849 -12.106 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.153 3.913 -13.732 1.00 0.00 H new ATOM 0 HG3 MET A 113 -9.875 2.662 -12.740 1.00 0.00 H new ATOM 0 HE1 MET A 113 -11.527 1.173 -15.141 1.00 0.00 H new ATOM 0 HE2 MET A 113 -11.016 1.290 -13.440 1.00 0.00 H new ATOM 0 HE3 MET A 113 -12.728 1.513 -13.873 1.00 0.00 H new ATOM 1682 N GLY A 114 -9.602 5.996 -14.787 1.00 0.00 N ATOM 1683 CA GLY A 114 -10.062 6.358 -16.127 1.00 0.00 C ATOM 1684 C GLY A 114 -8.985 6.704 -17.164 1.00 0.00 C ATOM 1685 O GLY A 114 -7.907 7.179 -16.860 1.00 0.00 O ATOM 0 H GLY A 114 -8.844 5.314 -14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.654 5.530 -16.517 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.731 7.213 -16.036 1.00 0.00 H new ATOM 1773 N GLY A 121 -1.088 11.894 -15.695 1.00 0.00 N ATOM 1774 CA GLY A 121 -0.339 12.744 -14.691 1.00 0.00 C ATOM 1775 C GLY A 121 -1.315 13.697 -13.984 1.00 0.00 C ATOM 1776 O GLY A 121 -1.094 14.097 -12.843 1.00 0.00 O ATOM 0 HA2 GLY A 121 0.156 12.106 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 121 0.441 13.315 -15.195 1.00 0.00 H new ATOM 1780 N LEU A 122 -2.401 14.047 -14.654 1.00 0.00 N ATOM 1781 CA LEU A 122 -3.420 14.960 -14.052 1.00 0.00 C ATOM 1782 C LEU A 122 -4.249 14.159 -13.082 1.00 0.00 C ATOM 1783 O LEU A 122 -4.594 14.641 -12.051 1.00 0.00 O ATOM 1784 CB LEU A 122 -4.354 15.576 -15.141 1.00 0.00 C ATOM 1785 CG LEU A 122 -3.604 15.940 -16.473 1.00 0.00 C ATOM 1786 CD1 LEU A 122 -2.145 16.382 -16.219 1.00 0.00 C ATOM 1787 CD2 LEU A 122 -3.626 14.732 -17.427 1.00 0.00 C ATOM 0 H LEU A 122 -2.618 13.732 -15.599 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.908 15.781 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.154 14.870 -15.364 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.824 16.474 -14.740 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.126 16.783 -16.926 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.667 16.623 -17.169 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.138 17.262 -15.575 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.599 15.573 -15.733 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.105 14.988 -18.350 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.130 13.885 -16.953 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.658 14.467 -17.655 1.00 0.00 H new ATOM 1799 N ILE A 123 -4.545 12.914 -13.415 1.00 0.00 N ATOM 1800 CA ILE A 123 -5.338 12.026 -12.491 1.00 0.00 C ATOM 1801 C ILE A 123 -4.478 11.780 -11.273 1.00 0.00 C ATOM 1802 O ILE A 123 -4.967 11.742 -10.163 1.00 0.00 O ATOM 1803 CB ILE A 123 -5.650 10.707 -13.242 1.00 0.00 C ATOM 1804 CG1 ILE A 123 -6.929 10.896 -14.091 1.00 0.00 C ATOM 1805 CG2 ILE A 123 -5.855 9.479 -12.280 1.00 0.00 C ATOM 1806 CD1 ILE A 123 -7.055 9.738 -15.093 1.00 0.00 C ATOM 0 H ILE A 123 -4.269 12.475 -14.293 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.282 12.475 -12.183 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.785 10.486 -13.868 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.806 10.928 -13.444 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.889 11.847 -14.622 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.070 8.587 -12.869 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.948 9.319 -11.697 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.689 9.679 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.956 9.871 -15.691 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -6.183 9.727 -15.747 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -7.115 8.794 -14.552 1.00 0.00 H new ATOM 1818 N ASN A 124 -3.185 11.634 -11.483 1.00 0.00 N ATOM 1819 CA ASN A 124 -2.259 11.424 -10.346 1.00 0.00 C ATOM 1820 C ASN A 124 -2.311 12.668 -9.451 1.00 0.00 C ATOM 1821 O ASN A 124 -2.104 12.599 -8.239 1.00 0.00 O ATOM 1822 CB ASN A 124 -0.837 11.234 -10.869 1.00 0.00 C ATOM 1823 CG ASN A 124 0.074 10.813 -9.719 1.00 0.00 C ATOM 1824 OD1 ASN A 124 0.453 9.664 -9.618 1.00 0.00 O ATOM 1825 ND2 ASN A 124 0.447 11.703 -8.840 1.00 0.00 N ATOM 0 H ASN A 124 -2.742 11.653 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 124 -2.550 10.537 -9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -0.824 10.477 -11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -0.475 12.161 -11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 124 1.057 11.433 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.129 12.668 -8.925 1.00 0.00 H new ATOM 1832 N LYS A 125 -2.589 13.816 -10.060 1.00 0.00 N ATOM 1833 CA LYS A 125 -2.648 15.123 -9.268 1.00 0.00 C ATOM 1834 C LYS A 125 -4.043 15.335 -8.619 1.00 0.00 C ATOM 1835 O LYS A 125 -4.155 15.941 -7.550 1.00 0.00 O ATOM 1836 CB LYS A 125 -2.359 16.287 -10.232 1.00 0.00 C ATOM 1837 CG LYS A 125 -0.853 16.354 -10.535 1.00 0.00 C ATOM 1838 CD LYS A 125 -0.085 16.812 -9.287 1.00 0.00 C ATOM 1839 CE LYS A 125 1.043 17.763 -9.698 1.00 0.00 C ATOM 1840 NZ LYS A 125 1.727 18.280 -8.479 1.00 0.00 N ATOM 0 H LYS A 125 -2.776 13.910 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.909 15.081 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.919 16.152 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.692 17.227 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.494 15.375 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.670 17.044 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.762 17.312 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.326 15.949 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.758 17.242 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.640 18.591 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.493 18.926 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.042 18.791 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.124 17.484 -7.940 1.00 0.00 H new ATOM 1854 N LYS A 126 -5.097 14.851 -9.256 1.00 0.00 N ATOM 1855 CA LYS A 126 -6.484 15.026 -8.709 1.00 0.00 C ATOM 1856 C LYS A 126 -6.789 13.968 -7.647 1.00 0.00 C ATOM 1857 O LYS A 126 -7.634 14.174 -6.791 1.00 0.00 O ATOM 1858 CB LYS A 126 -7.484 14.922 -9.864 1.00 0.00 C ATOM 1859 CG LYS A 126 -7.737 16.316 -10.452 1.00 0.00 C ATOM 1860 CD LYS A 126 -6.885 16.517 -11.704 1.00 0.00 C ATOM 1861 CE LYS A 126 -7.360 15.570 -12.816 1.00 0.00 C ATOM 1862 NZ LYS A 126 -7.436 16.322 -14.097 1.00 0.00 N ATOM 0 H LYS A 126 -5.049 14.340 -10.137 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.564 16.004 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.097 14.256 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -8.420 14.490 -9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.793 16.430 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -7.498 17.081 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -6.955 17.551 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.836 16.327 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -6.672 14.730 -12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.336 15.155 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -8.432 16.444 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.993 17.255 -13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.936 15.793 -14.840 1.00 0.00 H new ATOM 1876 N CYS A 127 -6.077 12.863 -7.670 1.00 0.00 N ATOM 1877 CA CYS A 127 -6.286 11.796 -6.653 1.00 0.00 C ATOM 1878 C CYS A 127 -5.478 12.178 -5.449 1.00 0.00 C ATOM 1879 O CYS A 127 -5.907 12.017 -4.332 1.00 0.00 O ATOM 1880 CB CYS A 127 -5.819 10.449 -7.196 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.736 9.120 -6.380 1.00 0.00 S ATOM 0 H CYS A 127 -5.354 12.659 -8.360 1.00 0.00 H new ATOM 0 HA CYS A 127 -7.342 11.701 -6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -5.976 10.405 -8.274 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.750 10.326 -7.024 1.00 0.00 H new ATOM 0 HG CYS A 127 -6.200 8.870 -5.222 1.00 0.00 H new ATOM 1887 N TYR A 128 -4.295 12.722 -5.686 1.00 0.00 N ATOM 1888 CA TYR A 128 -3.418 13.185 -4.580 1.00 0.00 C ATOM 1889 C TYR A 128 -4.175 14.294 -3.815 1.00 0.00 C ATOM 1890 O TYR A 128 -4.034 14.437 -2.603 1.00 0.00 O ATOM 1891 CB TYR A 128 -2.122 13.714 -5.221 1.00 0.00 C ATOM 1892 CG TYR A 128 -1.224 14.360 -4.209 1.00 0.00 C ATOM 1893 CD1 TYR A 128 -0.861 13.681 -3.039 1.00 0.00 C ATOM 1894 CD2 TYR A 128 -0.742 15.641 -4.462 1.00 0.00 C ATOM 1895 CE1 TYR A 128 -0.013 14.296 -2.109 1.00 0.00 C ATOM 1896 CE2 TYR A 128 0.108 16.264 -3.534 1.00 0.00 C ATOM 1897 CZ TYR A 128 0.473 15.590 -2.356 1.00 0.00 C ATOM 1898 OH TYR A 128 1.307 16.201 -1.438 1.00 0.00 O ATOM 0 H TYR A 128 -3.907 12.860 -6.619 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.166 12.392 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.593 12.892 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.370 14.435 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.234 12.685 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.021 16.155 -5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.266 13.776 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.481 17.259 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 128 1.553 17.092 -1.762 1.00 0.00 H new ATOM 1908 N GLU A 129 -5.008 15.057 -4.528 1.00 0.00 N ATOM 1909 CA GLU A 129 -5.817 16.148 -3.857 1.00 0.00 C ATOM 1910 C GLU A 129 -7.029 15.512 -3.148 1.00 0.00 C ATOM 1911 O GLU A 129 -7.436 15.936 -2.063 1.00 0.00 O ATOM 1912 CB GLU A 129 -6.298 17.150 -4.913 1.00 0.00 C ATOM 1913 CG GLU A 129 -5.139 18.072 -5.310 1.00 0.00 C ATOM 1914 CD GLU A 129 -5.637 19.128 -6.298 1.00 0.00 C ATOM 1915 OE1 GLU A 129 -6.421 19.969 -5.888 1.00 0.00 O ATOM 1916 OE2 GLU A 129 -5.227 19.080 -7.447 1.00 0.00 O ATOM 0 H GLU A 129 -5.157 14.968 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.200 16.670 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.671 16.620 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.127 17.739 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.726 18.555 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.335 17.489 -5.760 1.00 0.00 H new ATOM 1923 N MET A 130 -7.598 14.477 -3.745 1.00 0.00 N ATOM 1924 CA MET A 130 -8.773 13.777 -3.121 1.00 0.00 C ATOM 1925 C MET A 130 -8.364 13.312 -1.716 1.00 0.00 C ATOM 1926 O MET A 130 -9.052 13.559 -0.738 1.00 0.00 O ATOM 1927 CB MET A 130 -9.145 12.566 -3.976 1.00 0.00 C ATOM 1928 CG MET A 130 -10.646 12.295 -3.873 1.00 0.00 C ATOM 1929 SD MET A 130 -11.222 11.587 -5.415 1.00 0.00 S ATOM 1930 CE MET A 130 -12.203 10.264 -4.681 1.00 0.00 C ATOM 0 H MET A 130 -7.295 14.090 -4.639 1.00 0.00 H new ATOM 0 HA MET A 130 -9.630 14.448 -3.058 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.870 12.746 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.585 11.691 -3.645 1.00 0.00 H new ATOM 0 HG2 MET A 130 -10.849 11.613 -3.047 1.00 0.00 H new ATOM 0 HG3 MET A 130 -11.181 13.220 -3.661 1.00 0.00 H new ATOM 0 HE1 MET A 130 -12.094 9.357 -5.276 1.00 0.00 H new ATOM 0 HE2 MET A 130 -11.857 10.076 -3.665 1.00 0.00 H new ATOM 0 HE3 MET A 130 -13.252 10.559 -4.658 1.00 0.00 H new ATOM 1940 N ALA A 131 -7.215 12.660 -1.632 1.00 0.00 N ATOM 1941 CA ALA A 131 -6.678 12.171 -0.324 1.00 0.00 C ATOM 1942 C ALA A 131 -6.258 13.354 0.513 1.00 0.00 C ATOM 1943 O ALA A 131 -6.233 13.262 1.723 1.00 0.00 O ATOM 1944 CB ALA A 131 -5.473 11.253 -0.572 1.00 0.00 C ATOM 0 H ALA A 131 -6.623 12.447 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.449 11.609 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.084 10.898 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.783 10.401 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.695 11.807 -1.098 1.00 0.00 H new ATOM 1950 N SER A 132 -5.940 14.497 -0.114 1.00 0.00 N ATOM 1951 CA SER A 132 -5.552 15.711 0.692 1.00 0.00 C ATOM 1952 C SER A 132 -6.710 16.024 1.640 1.00 0.00 C ATOM 1953 O SER A 132 -6.493 16.467 2.764 1.00 0.00 O ATOM 1954 CB SER A 132 -5.258 16.908 -0.229 1.00 0.00 C ATOM 1955 OG SER A 132 -4.135 16.602 -1.050 1.00 0.00 O ATOM 0 H SER A 132 -5.936 14.626 -1.126 1.00 0.00 H new ATOM 0 HA SER A 132 -4.642 15.515 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.127 17.128 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 132 -5.057 17.799 0.366 1.00 0.00 H new ATOM 0 HG SER A 132 -4.253 15.714 -1.448 1.00 0.00 H new ATOM 1961 N HIS A 133 -7.960 15.744 1.213 1.00 0.00 N ATOM 1962 CA HIS A 133 -9.133 15.976 2.138 1.00 0.00 C ATOM 1963 C HIS A 133 -9.224 14.822 3.096 1.00 0.00 C ATOM 1964 O HIS A 133 -9.513 15.016 4.252 1.00 0.00 O ATOM 1965 CB HIS A 133 -10.454 16.091 1.406 1.00 0.00 C ATOM 1966 CG HIS A 133 -11.435 16.738 2.353 1.00 0.00 C ATOM 1967 ND1 HIS A 133 -12.494 16.036 2.917 1.00 0.00 N ATOM 1968 CD2 HIS A 133 -11.505 18.005 2.878 1.00 0.00 C ATOM 1969 CE1 HIS A 133 -13.147 16.879 3.744 1.00 0.00 C ATOM 1970 NE2 HIS A 133 -12.584 18.093 3.756 1.00 0.00 N ATOM 0 H HIS A 133 -8.195 15.377 0.291 1.00 0.00 H new ATOM 0 HA HIS A 133 -8.958 16.922 2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -10.342 16.688 0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -10.809 15.108 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -10.826 18.812 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -14.016 16.608 4.324 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -12.881 18.908 4.293 1.00 0.00 H new ATOM 1978 N LEU A 134 -8.969 13.600 2.619 1.00 0.00 N ATOM 1979 CA LEU A 134 -9.024 12.401 3.523 1.00 0.00 C ATOM 1980 C LEU A 134 -7.876 12.437 4.531 1.00 0.00 C ATOM 1981 O LEU A 134 -7.866 11.683 5.493 1.00 0.00 O ATOM 1982 CB LEU A 134 -8.983 11.148 2.679 1.00 0.00 C ATOM 1983 CG LEU A 134 -10.344 10.975 2.008 1.00 0.00 C ATOM 1984 CD1 LEU A 134 -10.342 11.610 0.626 1.00 0.00 C ATOM 1985 CD2 LEU A 134 -10.674 9.496 1.888 1.00 0.00 C ATOM 0 H LEU A 134 -8.728 13.397 1.649 1.00 0.00 H new ATOM 0 HA LEU A 134 -9.953 12.410 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.196 11.222 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -8.752 10.281 3.298 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.098 11.469 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.320 11.477 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -10.124 12.674 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -9.580 11.134 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.646 9.378 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -9.911 9.000 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -10.702 9.048 2.881 1.00 0.00 H new ATOM 1997 N ARG A 135 -6.951 13.345 4.348 1.00 0.00 N ATOM 1998 CA ARG A 135 -5.842 13.521 5.318 1.00 0.00 C ATOM 1999 C ARG A 135 -6.327 14.582 6.288 1.00 0.00 C ATOM 2000 O ARG A 135 -6.168 14.464 7.494 1.00 0.00 O ATOM 2001 CB ARG A 135 -4.579 13.978 4.594 1.00 0.00 C ATOM 2002 CG ARG A 135 -3.789 12.746 4.123 1.00 0.00 C ATOM 2003 CD ARG A 135 -2.292 12.961 4.365 1.00 0.00 C ATOM 2004 NE ARG A 135 -1.814 11.978 5.378 1.00 0.00 N ATOM 2005 CZ ARG A 135 -1.751 12.314 6.638 1.00 0.00 C ATOM 2006 NH1 ARG A 135 -2.839 12.640 7.283 1.00 0.00 N ATOM 2007 NH2 ARG A 135 -0.602 12.320 7.251 1.00 0.00 N ATOM 0 H ARG A 135 -6.922 13.981 3.551 1.00 0.00 H new ATOM 0 HA ARG A 135 -5.590 12.594 5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -4.841 14.604 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -3.965 14.586 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -4.129 11.859 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -3.973 12.569 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.740 12.839 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.110 13.978 4.713 1.00 0.00 H new ATOM 0 HE ARG A 135 -1.536 11.041 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -3.739 12.632 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.789 12.902 8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 135 0.246 12.063 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -0.551 12.582 8.235 1.00 0.00 H new ATOM 2021 N ARG A 136 -7.004 15.601 5.751 1.00 0.00 N ATOM 2022 CA ARG A 136 -7.613 16.660 6.611 1.00 0.00 C ATOM 2023 C ARG A 136 -8.938 16.120 7.202 1.00 0.00 C ATOM 2024 O ARG A 136 -9.586 16.781 8.004 1.00 0.00 O ATOM 2025 CB ARG A 136 -7.909 17.904 5.768 1.00 0.00 C ATOM 2026 CG ARG A 136 -6.642 18.349 5.020 1.00 0.00 C ATOM 2027 CD ARG A 136 -6.117 19.654 5.621 1.00 0.00 C ATOM 2028 NE ARG A 136 -5.559 19.384 6.978 1.00 0.00 N ATOM 2029 CZ ARG A 136 -4.382 19.850 7.311 1.00 0.00 C ATOM 2030 NH1 ARG A 136 -3.298 19.275 6.858 1.00 0.00 N ATOM 2031 NH2 ARG A 136 -4.291 20.888 8.094 1.00 0.00 N ATOM 0 H ARG A 136 -7.151 15.728 4.750 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.923 16.924 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.705 17.689 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -8.265 18.711 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.878 17.574 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.863 18.488 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.348 20.080 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.921 20.387 5.685 1.00 0.00 H new ATOM 0 HE ARG A 136 -6.096 18.834 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.370 18.463 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.381 19.639 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.137 21.336 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.374 21.252 8.354 1.00 0.00 H new ATOM 2045 N SER A 137 -9.328 14.907 6.803 1.00 0.00 N ATOM 2046 CA SER A 137 -10.574 14.281 7.305 1.00 0.00 C ATOM 2047 C SER A 137 -10.286 13.627 8.668 1.00 0.00 C ATOM 2048 O SER A 137 -11.195 13.365 9.436 1.00 0.00 O ATOM 2049 CB SER A 137 -11.041 13.212 6.271 1.00 0.00 C ATOM 2050 OG SER A 137 -10.254 12.012 6.374 1.00 0.00 O ATOM 0 H SER A 137 -8.809 14.334 6.138 1.00 0.00 H new ATOM 0 HA SER A 137 -11.361 15.025 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 137 -12.092 12.976 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.961 13.618 5.263 1.00 0.00 H new ATOM 0 HG SER A 137 -10.660 11.410 7.033 1.00 0.00 H new ATOM 2056 N GLN A 138 -8.996 13.354 8.964 1.00 0.00 N ATOM 2057 CA GLN A 138 -8.602 12.705 10.276 1.00 0.00 C ATOM 2058 C GLN A 138 -8.857 11.191 10.190 1.00 0.00 C ATOM 2059 O GLN A 138 -9.140 10.533 11.188 1.00 0.00 O ATOM 2060 CB GLN A 138 -9.402 13.322 11.456 1.00 0.00 C ATOM 2061 CG GLN A 138 -8.441 13.717 12.585 1.00 0.00 C ATOM 2062 CD GLN A 138 -8.880 15.056 13.193 1.00 0.00 C ATOM 2063 OE1 GLN A 138 -8.061 15.918 13.445 1.00 0.00 O ATOM 2064 NE2 GLN A 138 -10.146 15.267 13.436 1.00 0.00 N ATOM 0 H GLN A 138 -8.213 13.559 8.343 1.00 0.00 H new ATOM 0 HA GLN A 138 -7.542 12.884 10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -9.955 14.197 11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -10.135 12.605 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -8.430 12.944 13.353 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -7.425 13.798 12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -10.833 14.544 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -10.447 16.155 13.837 1.00 0.00 H new ATOM 2073 N TYR A 139 -8.732 10.637 8.994 1.00 0.00 N ATOM 2074 CA TYR A 139 -8.935 9.161 8.791 1.00 0.00 C ATOM 2075 C TYR A 139 -7.638 8.543 8.242 1.00 0.00 C ATOM 2076 O TYR A 139 -7.557 7.336 8.205 1.00 0.00 O ATOM 2077 CB TYR A 139 -10.077 8.923 7.784 1.00 0.00 C ATOM 2078 CG TYR A 139 -11.355 9.624 8.245 1.00 0.00 C ATOM 2079 CD1 TYR A 139 -11.733 9.606 9.602 1.00 0.00 C ATOM 2080 CD2 TYR A 139 -12.164 10.283 7.307 1.00 0.00 C ATOM 2081 CE1 TYR A 139 -12.911 10.247 10.012 1.00 0.00 C ATOM 2082 CE2 TYR A 139 -13.343 10.924 7.721 1.00 0.00 C ATOM 2083 CZ TYR A 139 -13.715 10.906 9.073 1.00 0.00 C ATOM 2084 OH TYR A 139 -14.877 11.536 9.477 1.00 0.00 O ATOM 2085 OXT TYR A 139 -6.751 9.295 7.862 1.00 0.00 O ATOM 0 H TYR A 139 -8.496 11.153 8.146 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.193 8.698 9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.786 9.294 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.260 7.854 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.115 9.098 10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -11.880 10.297 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.199 10.233 11.053 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -13.964 11.431 6.997 1.00 0.00 H new ATOM 0 HH TYR A 139 -15.314 11.944 8.701 1.00 0.00 H new