USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1023 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 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.715 K(o=-0.71,f=-6.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 75:sc= 0.411 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -178:sc= -4.12! USER MOD Single : A 25 THR OG1 : rot 110:sc= 0.113 USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.553 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : A 40 THR OG1 : rot -160:sc= -2.49! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -129:sc= -0.0201 USER MOD Single : A 50 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 54 GLN : amide:sc= -2.54 K(o=-2.5,f=-0.015) USER MOD Single : A 56 TYR OH : rot -172:sc= -0.133 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc=-0.00848 X(o=-0.0085,f=-0.0054) USER MOD Single : A 59 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0417 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.48) USER MOD Single : A 72 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 74 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.34) USER MOD Single : A 76 HIS : no HD1:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= 0.444 (180deg=-0.199) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.136 (180deg=-0.397) USER MOD Single : A 89 ASN : amide:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 97 ASN : amide:sc= -5.4! C(o=-5.4!,f=-5.5!) USER MOD Single : A 98 SER OG : rot 26:sc= 1.15 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.325 K(o=0.33,f=-0.96) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.158 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 63:sc= -0.372 USER MOD Single : A 120 MET CE :methyl -115:sc= -0.646 (180deg=-6.91!) USER MOD Single : A 123 LYS NZ :NH3+ 134:sc= -0.127 (180deg=-1.76!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -24:sc= 0.955 USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 14.750 5.207 -27.287 1.00 0.00 N ATOM 53 CA ASP A 4 13.642 6.186 -27.464 1.00 0.00 C ATOM 54 C ASP A 4 14.065 7.549 -26.914 1.00 0.00 C ATOM 55 O ASP A 4 15.010 7.664 -26.159 1.00 0.00 O ATOM 56 CB ASP A 4 12.399 5.708 -26.714 1.00 0.00 C ATOM 57 CG ASP A 4 12.412 4.182 -26.600 1.00 0.00 C ATOM 58 OD1 ASP A 4 12.721 3.536 -27.587 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.113 3.685 -25.526 1.00 0.00 O ATOM 0 HA ASP A 4 13.415 6.273 -28.527 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.369 6.155 -25.720 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.500 6.034 -27.237 1.00 0.00 H new ATOM 64 N ILE A 5 13.364 8.578 -27.291 1.00 0.00 N ATOM 65 CA ILE A 5 13.702 9.945 -26.801 1.00 0.00 C ATOM 66 C ILE A 5 13.355 10.068 -25.314 1.00 0.00 C ATOM 67 O ILE A 5 13.958 10.832 -24.588 1.00 0.00 O ATOM 68 CB ILE A 5 12.908 10.983 -27.601 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.502 11.105 -29.006 1.00 0.00 C ATOM 70 CG2 ILE A 5 12.982 12.341 -26.900 1.00 0.00 C ATOM 71 CD1 ILE A 5 14.946 11.600 -28.906 1.00 0.00 C ATOM 0 H ILE A 5 12.564 8.533 -27.923 1.00 0.00 H new ATOM 0 HA ILE A 5 14.770 10.120 -26.933 1.00 0.00 H new ATOM 0 HB ILE A 5 11.867 10.667 -27.669 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.471 10.140 -29.511 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.909 11.797 -29.605 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.416 13.077 -27.472 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.560 12.257 -25.899 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.023 12.658 -26.830 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.371 11.687 -29.906 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.964 12.574 -28.418 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.534 10.891 -28.323 1.00 0.00 H new ATOM 83 N THR A 6 12.373 9.342 -24.858 1.00 0.00 N ATOM 84 CA THR A 6 11.977 9.437 -23.426 1.00 0.00 C ATOM 85 C THR A 6 13.195 9.229 -22.523 1.00 0.00 C ATOM 86 O THR A 6 13.437 9.997 -21.614 1.00 0.00 O ATOM 87 CB THR A 6 10.930 8.365 -23.117 1.00 0.00 C ATOM 88 OG1 THR A 6 9.817 8.529 -23.986 1.00 0.00 O ATOM 89 CG2 THR A 6 10.470 8.499 -21.665 1.00 0.00 C ATOM 0 H THR A 6 11.827 8.686 -25.416 1.00 0.00 H new ATOM 0 HA THR A 6 11.562 10.427 -23.239 1.00 0.00 H new ATOM 0 HB THR A 6 11.367 7.377 -23.266 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.146 7.842 -23.791 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.724 7.734 -21.448 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.324 8.373 -21.000 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.033 9.486 -21.511 1.00 0.00 H new ATOM 97 N LEU A 7 13.947 8.187 -22.743 1.00 0.00 N ATOM 98 CA LEU A 7 15.118 7.936 -21.867 1.00 0.00 C ATOM 99 C LEU A 7 16.225 8.962 -22.100 1.00 0.00 C ATOM 100 O LEU A 7 16.709 9.564 -21.167 1.00 0.00 O ATOM 101 CB LEU A 7 15.688 6.521 -22.074 1.00 0.00 C ATOM 102 CG LEU A 7 15.816 6.097 -23.549 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.800 4.931 -23.625 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.465 5.622 -24.090 1.00 0.00 C ATOM 0 H LEU A 7 13.801 7.504 -23.487 1.00 0.00 H new ATOM 0 HA LEU A 7 14.760 8.027 -20.841 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.671 6.466 -21.606 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.049 5.806 -21.557 1.00 0.00 H new ATOM 0 HG LEU A 7 16.158 6.947 -24.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.907 4.613 -24.662 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.770 5.247 -23.240 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.426 4.100 -23.027 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.574 5.326 -25.133 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.118 4.770 -23.506 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.739 6.431 -24.017 1.00 0.00 H new ATOM 116 N GLN A 8 16.642 9.182 -23.310 1.00 0.00 N ATOM 117 CA GLN A 8 17.723 10.184 -23.515 1.00 0.00 C ATOM 118 C GLN A 8 17.326 11.473 -22.807 1.00 0.00 C ATOM 119 O GLN A 8 18.150 12.224 -22.325 1.00 0.00 O ATOM 120 CB GLN A 8 17.937 10.437 -25.012 1.00 0.00 C ATOM 121 CG GLN A 8 16.814 11.321 -25.557 1.00 0.00 C ATOM 122 CD GLN A 8 17.304 12.767 -25.658 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.029 13.576 -24.793 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.023 13.129 -26.685 1.00 0.00 N ATOM 0 H GLN A 8 16.292 8.724 -24.152 1.00 0.00 H new ATOM 0 HA GLN A 8 18.660 9.810 -23.102 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.901 10.918 -25.174 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.959 9.489 -25.550 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.499 10.964 -26.537 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.944 11.266 -24.903 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.254 12.450 -27.411 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.354 14.091 -26.762 1.00 0.00 H new ATOM 133 N GLU A 9 16.059 11.710 -22.737 1.00 0.00 N ATOM 134 CA GLU A 9 15.543 12.929 -22.056 1.00 0.00 C ATOM 135 C GLU A 9 15.718 12.802 -20.537 1.00 0.00 C ATOM 136 O GLU A 9 16.177 13.714 -19.878 1.00 0.00 O ATOM 137 CB GLU A 9 14.058 13.102 -22.382 1.00 0.00 C ATOM 138 CG GLU A 9 13.905 14.057 -23.568 1.00 0.00 C ATOM 139 CD GLU A 9 12.459 14.028 -24.067 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.689 13.239 -23.544 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.147 14.795 -24.962 1.00 0.00 O ATOM 0 H GLU A 9 15.339 11.103 -23.128 1.00 0.00 H new ATOM 0 HA GLU A 9 16.103 13.796 -22.407 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.612 12.136 -22.619 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.527 13.494 -21.514 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.177 15.070 -23.270 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.583 13.768 -24.371 1.00 0.00 H new ATOM 148 N ILE A 10 15.324 11.688 -19.974 1.00 0.00 N ATOM 149 CA ILE A 10 15.433 11.513 -18.497 1.00 0.00 C ATOM 150 C ILE A 10 16.897 11.566 -18.053 1.00 0.00 C ATOM 151 O ILE A 10 17.238 12.281 -17.147 1.00 0.00 O ATOM 152 CB ILE A 10 14.801 10.161 -18.113 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.347 10.394 -17.713 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.541 9.518 -16.931 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.544 10.867 -18.928 1.00 0.00 C ATOM 0 H ILE A 10 14.931 10.892 -20.476 1.00 0.00 H new ATOM 0 HA ILE A 10 14.905 12.323 -17.993 1.00 0.00 H new ATOM 0 HB ILE A 10 14.868 9.491 -18.970 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.917 9.474 -17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.294 11.138 -16.918 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.072 8.566 -16.683 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.583 9.350 -17.202 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.493 10.182 -16.068 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.507 11.032 -18.637 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.968 11.798 -19.304 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.585 10.108 -19.709 1.00 0.00 H new ATOM 167 N ILE A 11 17.763 10.815 -18.663 1.00 0.00 N ATOM 168 CA ILE A 11 19.184 10.844 -18.220 1.00 0.00 C ATOM 169 C ILE A 11 19.656 12.292 -18.113 1.00 0.00 C ATOM 170 O ILE A 11 20.507 12.614 -17.309 1.00 0.00 O ATOM 171 CB ILE A 11 20.060 10.065 -19.210 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.879 8.560 -18.969 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.531 10.437 -18.998 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.970 7.784 -19.711 1.00 0.00 C ATOM 0 H ILE A 11 17.555 10.188 -19.440 1.00 0.00 H new ATOM 0 HA ILE A 11 19.267 10.372 -17.241 1.00 0.00 H new ATOM 0 HB ILE A 11 19.766 10.314 -20.230 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.928 8.344 -17.902 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.895 8.242 -19.314 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.152 9.883 -19.702 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.663 11.506 -19.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.826 10.187 -17.979 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.839 6.716 -19.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.900 7.990 -20.779 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.949 8.093 -19.345 1.00 0.00 H new ATOM 186 N LYS A 12 19.110 13.172 -18.898 1.00 0.00 N ATOM 187 CA LYS A 12 19.534 14.593 -18.803 1.00 0.00 C ATOM 188 C LYS A 12 19.154 15.131 -17.419 1.00 0.00 C ATOM 189 O LYS A 12 19.959 15.722 -16.728 1.00 0.00 O ATOM 190 CB LYS A 12 18.825 15.412 -19.885 1.00 0.00 C ATOM 191 CG LYS A 12 19.612 16.696 -20.150 1.00 0.00 C ATOM 192 CD LYS A 12 18.700 17.907 -19.938 1.00 0.00 C ATOM 193 CE LYS A 12 19.210 18.730 -18.754 1.00 0.00 C ATOM 194 NZ LYS A 12 18.756 20.142 -18.899 1.00 0.00 N ATOM 0 H LYS A 12 18.394 12.972 -19.596 1.00 0.00 H new ATOM 0 HA LYS A 12 20.612 14.669 -18.946 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.741 14.828 -20.802 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.811 15.653 -19.567 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.471 16.753 -19.482 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.000 16.694 -21.169 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.678 18.521 -20.838 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.678 17.577 -19.752 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.838 18.311 -17.819 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.298 18.689 -18.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.102 20.702 -18.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.132 20.538 -19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.717 20.172 -18.920 1.00 0.00 H new ATOM 208 N THR A 13 17.926 14.934 -17.015 1.00 0.00 N ATOM 209 CA THR A 13 17.477 15.434 -15.681 1.00 0.00 C ATOM 210 C THR A 13 18.118 14.617 -14.551 1.00 0.00 C ATOM 211 O THR A 13 18.677 15.163 -13.620 1.00 0.00 O ATOM 212 CB THR A 13 15.951 15.323 -15.595 1.00 0.00 C ATOM 213 OG1 THR A 13 15.362 16.271 -16.474 1.00 0.00 O ATOM 214 CG2 THR A 13 15.493 15.602 -14.162 1.00 0.00 C ATOM 0 H THR A 13 17.211 14.446 -17.554 1.00 0.00 H new ATOM 0 HA THR A 13 17.784 16.474 -15.570 1.00 0.00 H new ATOM 0 HB THR A 13 15.643 14.317 -15.881 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.386 16.202 -16.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.407 15.522 -14.105 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.946 14.876 -13.487 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.799 16.607 -13.872 1.00 0.00 H new ATOM 222 N LEU A 14 18.038 13.317 -14.622 1.00 0.00 N ATOM 223 CA LEU A 14 18.633 12.465 -13.560 1.00 0.00 C ATOM 224 C LEU A 14 20.112 12.823 -13.412 1.00 0.00 C ATOM 225 O LEU A 14 20.671 12.779 -12.334 1.00 0.00 O ATOM 226 CB LEU A 14 18.470 11.000 -13.978 1.00 0.00 C ATOM 227 CG LEU A 14 19.215 10.076 -13.018 1.00 0.00 C ATOM 228 CD1 LEU A 14 18.652 10.241 -11.606 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.024 8.627 -13.479 1.00 0.00 C ATOM 0 H LEU A 14 17.581 12.806 -15.378 1.00 0.00 H new ATOM 0 HA LEU A 14 18.138 12.625 -12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.412 10.738 -13.995 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.849 10.862 -14.991 1.00 0.00 H new ATOM 0 HG LEU A 14 20.276 10.327 -13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.185 9.580 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.777 11.275 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.592 9.986 -11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.552 7.957 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.962 8.382 -13.478 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.422 8.510 -14.487 1.00 0.00 H new ATOM 241 N ASN A 15 20.740 13.192 -14.492 1.00 0.00 N ATOM 242 CA ASN A 15 22.179 13.575 -14.435 1.00 0.00 C ATOM 243 C ASN A 15 22.322 14.936 -13.724 1.00 0.00 C ATOM 244 O ASN A 15 23.127 15.086 -12.826 1.00 0.00 O ATOM 245 CB ASN A 15 22.728 13.690 -15.860 1.00 0.00 C ATOM 246 CG ASN A 15 24.170 14.196 -15.812 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.465 15.273 -16.290 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.089 13.459 -15.250 1.00 0.00 N ATOM 0 H ASN A 15 20.316 13.245 -15.418 1.00 0.00 H new ATOM 0 HA ASN A 15 22.736 12.816 -13.885 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.688 12.720 -16.356 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.111 14.372 -16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.054 13.788 -15.212 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.842 12.554 -14.848 1.00 0.00 H new ATOM 255 N SER A 16 21.560 15.946 -14.125 1.00 0.00 N ATOM 256 CA SER A 16 21.687 17.279 -13.472 1.00 0.00 C ATOM 257 C SER A 16 21.627 17.140 -11.949 1.00 0.00 C ATOM 258 O SER A 16 22.295 17.855 -11.232 1.00 0.00 O ATOM 259 CB SER A 16 20.548 18.185 -13.942 1.00 0.00 C ATOM 260 OG SER A 16 20.601 18.318 -15.354 1.00 0.00 O ATOM 0 H SER A 16 20.866 15.892 -14.871 1.00 0.00 H new ATOM 0 HA SER A 16 22.648 17.714 -13.748 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.588 17.766 -13.641 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.630 19.164 -13.470 1.00 0.00 H new ATOM 0 HG SER A 16 20.282 17.491 -15.773 1.00 0.00 H new ATOM 266 N LEU A 17 20.827 16.241 -11.444 1.00 0.00 N ATOM 267 CA LEU A 17 20.735 16.091 -9.963 1.00 0.00 C ATOM 268 C LEU A 17 22.056 15.543 -9.404 1.00 0.00 C ATOM 269 O LEU A 17 22.474 15.908 -8.324 1.00 0.00 O ATOM 270 CB LEU A 17 19.586 15.137 -9.612 1.00 0.00 C ATOM 271 CG LEU A 17 18.261 15.711 -10.131 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.080 14.932 -9.531 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.154 17.183 -9.728 1.00 0.00 C ATOM 0 H LEU A 17 20.238 15.609 -11.986 1.00 0.00 H new ATOM 0 HA LEU A 17 20.543 17.067 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.767 14.157 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.534 14.996 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 17 18.234 15.622 -11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.144 15.346 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.153 13.883 -9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.105 15.014 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.213 17.593 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.186 17.266 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.986 17.740 -10.159 1.00 0.00 H new ATOM 285 N THR A 18 22.718 14.669 -10.113 1.00 0.00 N ATOM 286 CA THR A 18 24.004 14.121 -9.585 1.00 0.00 C ATOM 287 C THR A 18 25.083 15.196 -9.619 1.00 0.00 C ATOM 288 O THR A 18 25.751 15.460 -8.639 1.00 0.00 O ATOM 289 CB THR A 18 24.441 12.922 -10.429 1.00 0.00 C ATOM 290 OG1 THR A 18 23.312 12.104 -10.705 1.00 0.00 O ATOM 291 CG2 THR A 18 25.486 12.109 -9.663 1.00 0.00 C ATOM 0 H THR A 18 22.430 14.313 -11.024 1.00 0.00 H new ATOM 0 HA THR A 18 23.856 13.800 -8.554 1.00 0.00 H new ATOM 0 HB THR A 18 24.874 13.275 -11.365 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.589 11.336 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 25.796 11.255 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.351 12.737 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.056 11.755 -8.726 1.00 0.00 H new ATOM 299 N GLU A 19 25.246 15.821 -10.737 1.00 0.00 N ATOM 300 CA GLU A 19 26.271 16.898 -10.850 1.00 0.00 C ATOM 301 C GLU A 19 25.913 17.992 -9.861 1.00 0.00 C ATOM 302 O GLU A 19 26.756 18.657 -9.293 1.00 0.00 O ATOM 303 CB GLU A 19 26.280 17.463 -12.272 1.00 0.00 C ATOM 304 CG GLU A 19 26.494 16.326 -13.273 1.00 0.00 C ATOM 305 CD GLU A 19 27.808 15.609 -12.957 1.00 0.00 C ATOM 306 OE1 GLU A 19 28.815 16.286 -12.832 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.785 14.394 -12.846 1.00 0.00 O ATOM 0 H GLU A 19 24.715 15.638 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 19 27.262 16.501 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.338 17.971 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.071 18.205 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.663 15.623 -13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 26.518 16.721 -14.289 1.00 0.00 H new ATOM 314 N GLN A 20 24.652 18.146 -9.647 1.00 0.00 N ATOM 315 CA GLN A 20 24.153 19.163 -8.679 1.00 0.00 C ATOM 316 C GLN A 20 23.245 18.452 -7.677 1.00 0.00 C ATOM 317 O GLN A 20 22.104 18.153 -7.967 1.00 0.00 O ATOM 318 CB GLN A 20 23.360 20.240 -9.424 1.00 0.00 C ATOM 319 CG GLN A 20 24.279 20.951 -10.420 1.00 0.00 C ATOM 320 CD GLN A 20 23.499 22.055 -11.137 1.00 0.00 C ATOM 321 OE1 GLN A 20 22.377 22.353 -10.779 1.00 0.00 O ATOM 322 NE2 GLN A 20 24.050 22.676 -12.143 1.00 0.00 N ATOM 0 H GLN A 20 23.922 17.603 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 20 24.987 19.640 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.517 19.789 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.948 20.959 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 20 25.137 21.377 -9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 20 24.669 20.237 -11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.992 22.425 -12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.539 23.412 -12.630 1.00 0.00 H new ATOM 331 N LYS A 21 23.741 18.161 -6.505 1.00 0.00 N ATOM 332 CA LYS A 21 22.903 17.449 -5.506 1.00 0.00 C ATOM 333 C LYS A 21 22.646 18.368 -4.317 1.00 0.00 C ATOM 334 O LYS A 21 22.846 18.008 -3.174 1.00 0.00 O ATOM 335 CB LYS A 21 23.630 16.180 -5.052 1.00 0.00 C ATOM 336 CG LYS A 21 25.020 16.547 -4.531 1.00 0.00 C ATOM 337 CD LYS A 21 25.677 15.314 -3.908 1.00 0.00 C ATOM 338 CE LYS A 21 26.971 14.991 -4.657 1.00 0.00 C ATOM 339 NZ LYS A 21 26.997 13.542 -5.003 1.00 0.00 N ATOM 0 H LYS A 21 24.688 18.386 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 21 21.947 17.171 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.058 15.680 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.715 15.480 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 21 25.636 16.927 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.943 17.344 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 25.890 15.496 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 21 24.996 14.464 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 27.039 15.593 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 21 27.833 15.244 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.877 13.322 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.951 12.976 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.181 13.315 -5.607 1.00 0.00 H new ATOM 353 N THR A 22 22.192 19.559 -4.590 1.00 0.00 N ATOM 354 CA THR A 22 21.897 20.532 -3.499 1.00 0.00 C ATOM 355 C THR A 22 20.766 19.996 -2.604 1.00 0.00 C ATOM 356 O THR A 22 20.415 20.607 -1.614 1.00 0.00 O ATOM 357 CB THR A 22 21.461 21.863 -4.117 1.00 0.00 C ATOM 358 OG1 THR A 22 20.953 21.633 -5.423 1.00 0.00 O ATOM 359 CG2 THR A 22 22.660 22.811 -4.193 1.00 0.00 C ATOM 0 H THR A 22 22.010 19.904 -5.532 1.00 0.00 H new ATOM 0 HA THR A 22 22.793 20.675 -2.895 1.00 0.00 H new ATOM 0 HB THR A 22 20.684 22.313 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 22 20.702 22.488 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.348 23.758 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 22 23.048 22.988 -3.190 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.439 22.363 -4.810 1.00 0.00 H new ATOM 367 N LEU A 23 20.189 18.861 -2.933 1.00 0.00 N ATOM 368 CA LEU A 23 19.088 18.303 -2.091 1.00 0.00 C ATOM 369 C LEU A 23 19.670 17.585 -0.863 1.00 0.00 C ATOM 370 O LEU A 23 19.095 16.647 -0.351 1.00 0.00 O ATOM 371 CB LEU A 23 18.254 17.324 -2.931 1.00 0.00 C ATOM 372 CG LEU A 23 18.928 15.945 -2.991 1.00 0.00 C ATOM 373 CD1 LEU A 23 18.222 15.084 -4.038 1.00 0.00 C ATOM 374 CD2 LEU A 23 20.402 16.098 -3.373 1.00 0.00 C ATOM 0 H LEU A 23 20.436 18.300 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 23 18.451 19.117 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 23 17.257 17.228 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.130 17.717 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 23 18.860 15.470 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.697 14.104 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.173 14.966 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.291 15.567 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 23 20.871 15.115 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 20.477 16.576 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 23 20.909 16.712 -2.629 1.00 0.00 H new ATOM 386 N CYS A 24 20.798 18.033 -0.378 1.00 0.00 N ATOM 387 CA CYS A 24 21.425 17.409 0.815 1.00 0.00 C ATOM 388 C CYS A 24 21.282 15.896 0.776 1.00 0.00 C ATOM 389 O CYS A 24 20.739 15.297 1.671 1.00 0.00 O ATOM 390 CB CYS A 24 20.814 17.989 2.094 1.00 0.00 C ATOM 391 SG CYS A 24 19.016 18.135 1.945 1.00 0.00 S ATOM 0 H CYS A 24 21.317 18.819 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 24 22.491 17.638 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.062 17.350 2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.247 18.969 2.296 1.00 0.00 H new ATOM 396 N THR A 25 21.796 15.282 -0.255 1.00 0.00 N ATOM 397 CA THR A 25 21.724 13.793 -0.370 1.00 0.00 C ATOM 398 C THR A 25 22.095 13.153 0.974 1.00 0.00 C ATOM 399 O THR A 25 22.471 13.826 1.913 1.00 0.00 O ATOM 400 CB THR A 25 22.701 13.309 -1.445 1.00 0.00 C ATOM 401 OG1 THR A 25 23.434 14.416 -1.954 1.00 0.00 O ATOM 402 CG2 THR A 25 21.924 12.643 -2.581 1.00 0.00 C ATOM 0 H THR A 25 22.267 15.750 -1.030 1.00 0.00 H new ATOM 0 HA THR A 25 20.709 13.506 -0.644 1.00 0.00 H new ATOM 0 HB THR A 25 23.392 12.587 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.366 14.355 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 25 22.621 12.299 -3.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.365 11.793 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 25 21.231 13.362 -3.018 1.00 0.00 H new ATOM 410 N GLU A 26 21.982 11.856 1.081 1.00 0.00 N ATOM 411 CA GLU A 26 22.310 11.189 2.373 1.00 0.00 C ATOM 412 C GLU A 26 21.239 11.587 3.385 1.00 0.00 C ATOM 413 O GLU A 26 21.523 12.134 4.433 1.00 0.00 O ATOM 414 CB GLU A 26 23.684 11.654 2.861 1.00 0.00 C ATOM 415 CG GLU A 26 24.530 10.436 3.238 1.00 0.00 C ATOM 416 CD GLU A 26 25.729 10.886 4.075 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.533 11.177 5.244 1.00 0.00 O ATOM 418 OE2 GLU A 26 26.820 10.931 3.533 1.00 0.00 O ATOM 0 H GLU A 26 21.678 11.233 0.333 1.00 0.00 H new ATOM 0 HA GLU A 26 22.336 10.106 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.183 12.230 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 26 23.572 12.313 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.928 9.722 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.873 9.925 2.338 1.00 0.00 H new ATOM 425 N LEU A 27 20.003 11.352 3.048 1.00 0.00 N ATOM 426 CA LEU A 27 18.883 11.748 3.945 1.00 0.00 C ATOM 427 C LEU A 27 18.056 10.532 4.340 1.00 0.00 C ATOM 428 O LEU A 27 17.314 10.556 5.296 1.00 0.00 O ATOM 429 CB LEU A 27 18.043 12.749 3.177 1.00 0.00 C ATOM 430 CG LEU A 27 18.940 13.944 2.830 1.00 0.00 C ATOM 431 CD1 LEU A 27 18.215 14.931 1.912 1.00 0.00 C ATOM 432 CD2 LEU A 27 19.346 14.661 4.120 1.00 0.00 C ATOM 0 H LEU A 27 19.718 10.898 2.180 1.00 0.00 H new ATOM 0 HA LEU A 27 19.258 12.188 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.642 12.296 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.191 13.072 3.775 1.00 0.00 H new ATOM 0 HG LEU A 27 19.822 13.572 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 27 18.875 15.767 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.933 14.428 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.320 15.302 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.984 15.511 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.453 15.012 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.890 13.971 4.764 1.00 0.00 H new ATOM 444 N THR A 28 18.217 9.481 3.606 1.00 0.00 N ATOM 445 CA THR A 28 17.499 8.191 3.878 1.00 0.00 C ATOM 446 C THR A 28 16.172 8.122 3.126 1.00 0.00 C ATOM 447 O THR A 28 15.364 9.029 3.161 1.00 0.00 O ATOM 448 CB THR A 28 17.256 7.996 5.379 1.00 0.00 C ATOM 449 OG1 THR A 28 16.111 8.731 5.789 1.00 0.00 O ATOM 450 CG2 THR A 28 18.491 8.456 6.155 1.00 0.00 C ATOM 0 H THR A 28 18.836 9.449 2.796 1.00 0.00 H new ATOM 0 HA THR A 28 18.142 7.387 3.520 1.00 0.00 H new ATOM 0 HB THR A 28 17.077 6.940 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.334 9.684 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.322 8.319 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.355 7.868 5.846 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.678 9.510 5.950 1.00 0.00 H new ATOM 458 N VAL A 29 15.951 7.027 2.448 1.00 0.00 N ATOM 459 CA VAL A 29 14.690 6.836 1.679 1.00 0.00 C ATOM 460 C VAL A 29 14.386 5.337 1.618 1.00 0.00 C ATOM 461 O VAL A 29 15.157 4.520 2.083 1.00 0.00 O ATOM 462 CB VAL A 29 14.854 7.367 0.249 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.605 8.135 -0.197 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.071 8.294 0.149 1.00 0.00 C ATOM 0 H VAL A 29 16.603 6.245 2.395 1.00 0.00 H new ATOM 0 HA VAL A 29 13.880 7.378 2.168 1.00 0.00 H new ATOM 0 HB VAL A 29 14.999 6.506 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.747 8.501 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.740 7.472 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.438 8.979 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.168 8.659 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.941 9.139 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.971 7.744 0.425 1.00 0.00 H new ATOM 474 N THR A 30 13.274 4.966 1.047 1.00 0.00 N ATOM 475 CA THR A 30 12.936 3.517 0.957 1.00 0.00 C ATOM 476 C THR A 30 14.056 2.783 0.215 1.00 0.00 C ATOM 477 O THR A 30 14.449 3.166 -0.869 1.00 0.00 O ATOM 478 CB THR A 30 11.619 3.344 0.199 1.00 0.00 C ATOM 479 OG1 THR A 30 10.551 3.852 0.988 1.00 0.00 O ATOM 480 CG2 THR A 30 11.383 1.861 -0.087 1.00 0.00 C ATOM 0 H THR A 30 12.587 5.600 0.640 1.00 0.00 H new ATOM 0 HA THR A 30 12.830 3.103 1.960 1.00 0.00 H new ATOM 0 HB THR A 30 11.668 3.889 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.706 3.744 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.444 1.740 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.202 1.472 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.334 1.312 0.854 1.00 0.00 H new ATOM 488 N ASP A 31 14.578 1.734 0.793 1.00 0.00 N ATOM 489 CA ASP A 31 15.679 0.983 0.122 1.00 0.00 C ATOM 490 C ASP A 31 15.095 -0.016 -0.881 1.00 0.00 C ATOM 491 O ASP A 31 14.913 -1.178 -0.577 1.00 0.00 O ATOM 492 CB ASP A 31 16.492 0.228 1.176 1.00 0.00 C ATOM 493 CG ASP A 31 17.695 -0.441 0.509 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.948 -0.143 -0.646 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.342 -1.240 1.165 1.00 0.00 O ATOM 0 H ASP A 31 14.290 1.365 1.699 1.00 0.00 H new ATOM 0 HA ASP A 31 16.322 1.686 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.829 0.915 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.869 -0.522 1.663 1.00 0.00 H new ATOM 500 N ILE A 32 14.802 0.427 -2.073 1.00 0.00 N ATOM 501 CA ILE A 32 14.228 -0.502 -3.095 1.00 0.00 C ATOM 502 C ILE A 32 15.357 -1.246 -3.818 1.00 0.00 C ATOM 503 O ILE A 32 15.277 -1.505 -5.002 1.00 0.00 O ATOM 504 CB ILE A 32 13.432 0.312 -4.128 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.409 1.133 -4.978 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.477 1.257 -3.401 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.282 0.719 -6.445 1.00 0.00 C ATOM 0 H ILE A 32 14.934 1.389 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 32 13.577 -1.221 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 32 12.861 -0.361 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.197 2.197 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.430 0.975 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.911 1.835 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.789 0.677 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.048 1.934 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.977 1.303 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.516 -0.341 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.263 0.900 -6.787 1.00 0.00 H new ATOM 519 N PHE A 33 16.411 -1.585 -3.129 1.00 0.00 N ATOM 520 CA PHE A 33 17.534 -2.300 -3.804 1.00 0.00 C ATOM 521 C PHE A 33 18.037 -3.453 -2.917 1.00 0.00 C ATOM 522 O PHE A 33 19.219 -3.726 -2.865 1.00 0.00 O ATOM 523 CB PHE A 33 18.671 -1.306 -4.050 1.00 0.00 C ATOM 524 CG PHE A 33 18.251 -0.344 -5.137 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.107 -0.797 -6.455 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.996 0.997 -4.828 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.710 0.090 -7.461 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.597 1.884 -5.836 1.00 0.00 C ATOM 529 CZ PHE A 33 17.454 1.431 -7.152 1.00 0.00 C ATOM 0 H PHE A 33 16.545 -1.400 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 33 17.188 -2.714 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.902 -0.763 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.578 -1.835 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.303 -1.832 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.107 1.348 -3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.601 -0.260 -8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.400 2.919 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.146 2.115 -7.929 1.00 0.00 H new ATOM 539 N ALA A 34 17.158 -4.143 -2.219 1.00 0.00 N ATOM 540 CA ALA A 34 17.613 -5.268 -1.358 1.00 0.00 C ATOM 541 C ALA A 34 17.171 -6.583 -1.996 1.00 0.00 C ATOM 542 O ALA A 34 16.642 -7.460 -1.342 1.00 0.00 O ATOM 543 CB ALA A 34 16.990 -5.136 0.032 1.00 0.00 C ATOM 0 H ALA A 34 16.153 -3.970 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 34 18.699 -5.248 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.325 -5.961 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.297 -4.191 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.904 -5.162 -0.052 1.00 0.00 H new ATOM 549 N ALA A 35 17.392 -6.724 -3.271 1.00 0.00 N ATOM 550 CA ALA A 35 17.005 -7.963 -3.974 1.00 0.00 C ATOM 551 C ALA A 35 17.954 -8.119 -5.150 1.00 0.00 C ATOM 552 O ALA A 35 17.623 -7.814 -6.278 1.00 0.00 O ATOM 553 CB ALA A 35 15.564 -7.848 -4.477 1.00 0.00 C ATOM 0 H ALA A 35 17.832 -6.018 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 35 17.063 -8.825 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.285 -8.766 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.895 -7.691 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.485 -7.005 -5.164 1.00 0.00 H new ATOM 559 N SER A 36 19.147 -8.568 -4.888 1.00 0.00 N ATOM 560 CA SER A 36 20.148 -8.720 -5.982 1.00 0.00 C ATOM 561 C SER A 36 19.791 -9.874 -6.917 1.00 0.00 C ATOM 562 O SER A 36 20.620 -10.354 -7.665 1.00 0.00 O ATOM 563 CB SER A 36 21.536 -8.953 -5.382 1.00 0.00 C ATOM 564 OG SER A 36 21.650 -10.306 -4.967 1.00 0.00 O ATOM 0 H SER A 36 19.475 -8.838 -3.961 1.00 0.00 H new ATOM 0 HA SER A 36 20.146 -7.801 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 36 22.306 -8.721 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 21.694 -8.287 -4.534 1.00 0.00 H new ATOM 0 HG SER A 36 22.539 -10.457 -4.584 1.00 0.00 H new ATOM 570 N LYS A 37 18.568 -10.300 -6.911 1.00 0.00 N ATOM 571 CA LYS A 37 18.167 -11.391 -7.831 1.00 0.00 C ATOM 572 C LYS A 37 18.081 -10.829 -9.250 1.00 0.00 C ATOM 573 O LYS A 37 17.842 -11.548 -10.200 1.00 0.00 O ATOM 574 CB LYS A 37 16.805 -11.948 -7.411 1.00 0.00 C ATOM 575 CG LYS A 37 16.943 -13.432 -7.068 1.00 0.00 C ATOM 576 CD LYS A 37 16.016 -14.253 -7.967 1.00 0.00 C ATOM 577 CE LYS A 37 16.587 -15.662 -8.137 1.00 0.00 C ATOM 578 NZ LYS A 37 15.471 -16.649 -8.174 1.00 0.00 N ATOM 0 H LYS A 37 17.827 -9.941 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 37 18.902 -12.195 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.426 -11.399 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.082 -11.816 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.976 -13.753 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.692 -13.599 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.019 -14.303 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.914 -13.771 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.170 -15.721 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.264 -15.893 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.859 -17.607 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.933 -16.598 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.842 -16.432 -8.973 1.00 0.00 H new ATOM 592 N ASN A 38 18.281 -9.542 -9.401 1.00 0.00 N ATOM 593 CA ASN A 38 18.219 -8.927 -10.758 1.00 0.00 C ATOM 594 C ASN A 38 16.760 -8.733 -11.172 1.00 0.00 C ATOM 595 O ASN A 38 16.263 -9.393 -12.063 1.00 0.00 O ATOM 596 CB ASN A 38 18.919 -9.839 -11.769 1.00 0.00 C ATOM 597 CG ASN A 38 19.928 -9.023 -12.579 1.00 0.00 C ATOM 598 OD1 ASN A 38 19.562 -8.079 -13.252 1.00 0.00 O ATOM 599 ND2 ASN A 38 21.191 -9.348 -12.543 1.00 0.00 N ATOM 0 H ASN A 38 18.484 -8.893 -8.641 1.00 0.00 H new ATOM 0 HA ASN A 38 18.719 -7.959 -10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 38 19.426 -10.653 -11.251 1.00 0.00 H new ATOM 0 HB3 ASN A 38 18.185 -10.293 -12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 38 21.872 -8.810 -13.080 1.00 0.00 H new ATOM 0 HD22 ASN A 38 21.498 -10.140 -11.978 1.00 0.00 H new ATOM 606 N THR A 39 16.070 -7.826 -10.536 1.00 0.00 N ATOM 607 CA THR A 39 14.645 -7.586 -10.900 1.00 0.00 C ATOM 608 C THR A 39 14.590 -6.809 -12.222 1.00 0.00 C ATOM 609 O THR A 39 15.439 -5.984 -12.496 1.00 0.00 O ATOM 610 CB THR A 39 13.970 -6.766 -9.798 1.00 0.00 C ATOM 611 OG1 THR A 39 14.452 -7.191 -8.530 1.00 0.00 O ATOM 612 CG2 THR A 39 12.455 -6.965 -9.862 1.00 0.00 C ATOM 0 H THR A 39 16.431 -7.242 -9.782 1.00 0.00 H new ATOM 0 HA THR A 39 14.127 -8.538 -11.011 1.00 0.00 H new ATOM 0 HB THR A 39 14.200 -5.710 -9.940 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.022 -6.665 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.978 -6.380 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.086 -6.637 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.220 -8.020 -9.722 1.00 0.00 H new ATOM 620 N THR A 40 13.606 -7.060 -13.046 1.00 0.00 N ATOM 621 CA THR A 40 13.520 -6.324 -14.339 1.00 0.00 C ATOM 622 C THR A 40 13.775 -4.835 -14.093 1.00 0.00 C ATOM 623 O THR A 40 13.303 -4.268 -13.127 1.00 0.00 O ATOM 624 CB THR A 40 12.124 -6.509 -14.940 1.00 0.00 C ATOM 625 OG1 THR A 40 11.196 -6.787 -13.901 1.00 0.00 O ATOM 626 CG2 THR A 40 12.144 -7.670 -15.934 1.00 0.00 C ATOM 0 H THR A 40 12.863 -7.739 -12.880 1.00 0.00 H new ATOM 0 HA THR A 40 14.267 -6.713 -15.030 1.00 0.00 H new ATOM 0 HB THR A 40 11.827 -5.597 -15.458 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.397 -7.210 -14.280 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.150 -7.801 -16.361 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.856 -7.454 -16.731 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.441 -8.584 -15.420 1.00 0.00 H new ATOM 634 N GLU A 41 14.518 -4.197 -14.956 1.00 0.00 N ATOM 635 CA GLU A 41 14.795 -2.747 -14.763 1.00 0.00 C ATOM 636 C GLU A 41 13.473 -1.990 -14.652 1.00 0.00 C ATOM 637 O GLU A 41 13.294 -1.155 -13.789 1.00 0.00 O ATOM 638 CB GLU A 41 15.592 -2.212 -15.956 1.00 0.00 C ATOM 639 CG GLU A 41 16.631 -3.250 -16.384 1.00 0.00 C ATOM 640 CD GLU A 41 16.209 -3.876 -17.714 1.00 0.00 C ATOM 641 OE1 GLU A 41 15.523 -3.207 -18.470 1.00 0.00 O ATOM 642 OE2 GLU A 41 16.578 -5.013 -17.955 1.00 0.00 O ATOM 0 H GLU A 41 14.943 -4.616 -15.783 1.00 0.00 H new ATOM 0 HA GLU A 41 15.375 -2.606 -13.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.920 -1.991 -16.786 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.085 -1.278 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.609 -2.780 -16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.725 -4.022 -15.620 1.00 0.00 H new ATOM 649 N LYS A 42 12.540 -2.276 -15.517 1.00 0.00 N ATOM 650 CA LYS A 42 11.230 -1.572 -15.453 1.00 0.00 C ATOM 651 C LYS A 42 10.641 -1.726 -14.050 1.00 0.00 C ATOM 652 O LYS A 42 9.953 -0.856 -13.554 1.00 0.00 O ATOM 653 CB LYS A 42 10.269 -2.181 -16.478 1.00 0.00 C ATOM 654 CG LYS A 42 11.019 -2.452 -17.784 1.00 0.00 C ATOM 655 CD LYS A 42 10.295 -1.762 -18.941 1.00 0.00 C ATOM 656 CE LYS A 42 8.825 -2.185 -18.948 1.00 0.00 C ATOM 657 NZ LYS A 42 8.233 -1.901 -20.285 1.00 0.00 N ATOM 0 H LYS A 42 12.628 -2.965 -16.264 1.00 0.00 H new ATOM 0 HA LYS A 42 11.374 -0.515 -15.676 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.846 -3.108 -16.090 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.436 -1.502 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.043 -2.085 -17.711 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.078 -3.525 -17.966 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.372 -0.680 -18.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.765 -2.027 -19.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.740 -3.247 -18.719 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.277 -1.647 -18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.234 -2.188 -20.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.302 -0.883 -20.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.750 -2.433 -21.014 1.00 0.00 H new ATOM 671 N GLU A 43 10.906 -2.830 -13.405 1.00 0.00 N ATOM 672 CA GLU A 43 10.363 -3.043 -12.033 1.00 0.00 C ATOM 673 C GLU A 43 11.063 -2.103 -11.051 1.00 0.00 C ATOM 674 O GLU A 43 10.425 -1.430 -10.266 1.00 0.00 O ATOM 675 CB GLU A 43 10.599 -4.493 -11.610 1.00 0.00 C ATOM 676 CG GLU A 43 9.566 -5.396 -12.287 1.00 0.00 C ATOM 677 CD GLU A 43 8.163 -5.011 -11.815 1.00 0.00 C ATOM 678 OE1 GLU A 43 8.065 -4.320 -10.814 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.210 -5.413 -12.463 1.00 0.00 O ATOM 0 H GLU A 43 11.475 -3.594 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 43 9.293 -2.834 -12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.606 -4.804 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.523 -4.584 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.636 -5.298 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.768 -6.440 -12.048 1.00 0.00 H new ATOM 686 N THR A 44 12.368 -2.042 -11.083 1.00 0.00 N ATOM 687 CA THR A 44 13.073 -1.129 -10.136 1.00 0.00 C ATOM 688 C THR A 44 12.580 0.290 -10.379 1.00 0.00 C ATOM 689 O THR A 44 12.537 1.111 -9.492 1.00 0.00 O ATOM 690 CB THR A 44 14.601 -1.198 -10.319 1.00 0.00 C ATOM 691 OG1 THR A 44 15.230 -0.658 -9.167 1.00 0.00 O ATOM 692 CG2 THR A 44 15.025 -0.389 -11.548 1.00 0.00 C ATOM 0 H THR A 44 12.968 -2.575 -11.712 1.00 0.00 H new ATOM 0 HA THR A 44 12.854 -1.438 -9.114 1.00 0.00 H new ATOM 0 HB THR A 44 14.897 -2.238 -10.458 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.890 0.013 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.107 -0.446 -11.666 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.541 -0.796 -12.436 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.729 0.652 -11.418 1.00 0.00 H new ATOM 700 N PHE A 45 12.201 0.574 -11.584 1.00 0.00 N ATOM 701 CA PHE A 45 11.690 1.933 -11.907 1.00 0.00 C ATOM 702 C PHE A 45 10.305 2.120 -11.279 1.00 0.00 C ATOM 703 O PHE A 45 9.923 3.210 -10.905 1.00 0.00 O ATOM 704 CB PHE A 45 11.597 2.094 -13.420 1.00 0.00 C ATOM 705 CG PHE A 45 13.013 2.182 -13.998 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.994 2.972 -13.363 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.356 1.471 -15.162 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.289 3.043 -13.888 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.655 1.549 -15.680 1.00 0.00 C ATOM 710 CZ PHE A 45 15.618 2.334 -15.044 1.00 0.00 C ATOM 0 H PHE A 45 12.222 -0.078 -12.368 1.00 0.00 H new ATOM 0 HA PHE A 45 12.371 2.684 -11.507 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.063 1.250 -13.857 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.032 2.992 -13.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.745 3.524 -12.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.615 0.862 -15.658 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.036 3.649 -13.397 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.912 1.000 -16.574 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.618 2.393 -15.447 1.00 0.00 H new ATOM 720 N CYS A 46 9.544 1.059 -11.174 1.00 0.00 N ATOM 721 CA CYS A 46 8.180 1.169 -10.586 1.00 0.00 C ATOM 722 C CYS A 46 8.275 1.427 -9.076 1.00 0.00 C ATOM 723 O CYS A 46 7.672 2.343 -8.555 1.00 0.00 O ATOM 724 CB CYS A 46 7.424 -0.140 -10.853 1.00 0.00 C ATOM 725 SG CYS A 46 5.958 -0.247 -9.794 1.00 0.00 S ATOM 0 H CYS A 46 9.812 0.121 -11.472 1.00 0.00 H new ATOM 0 HA CYS A 46 7.647 2.003 -11.042 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.128 -0.190 -11.901 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.079 -0.991 -10.666 1.00 0.00 H new ATOM 730 N ARG A 47 9.035 0.632 -8.372 1.00 0.00 N ATOM 731 CA ARG A 47 9.176 0.837 -6.902 1.00 0.00 C ATOM 732 C ARG A 47 9.999 2.088 -6.663 1.00 0.00 C ATOM 733 O ARG A 47 9.638 2.978 -5.920 1.00 0.00 O ATOM 734 CB ARG A 47 9.946 -0.338 -6.316 1.00 0.00 C ATOM 735 CG ARG A 47 9.378 -0.701 -4.943 1.00 0.00 C ATOM 736 CD ARG A 47 10.044 -1.980 -4.436 1.00 0.00 C ATOM 737 NE ARG A 47 9.933 -3.042 -5.475 1.00 0.00 N ATOM 738 CZ ARG A 47 10.896 -3.911 -5.626 1.00 0.00 C ATOM 739 NH1 ARG A 47 10.972 -4.944 -4.834 1.00 0.00 N ATOM 740 NH2 ARG A 47 11.780 -3.746 -6.572 1.00 0.00 N ATOM 0 H ARG A 47 9.565 -0.152 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 47 8.191 0.924 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.881 -1.196 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.002 -0.083 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.550 0.114 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.299 -0.842 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.092 -1.790 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.568 -2.309 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 47 9.105 -3.090 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.279 -5.073 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.724 -5.623 -4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.718 -2.939 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.533 -4.424 -6.691 1.00 0.00 H new ATOM 754 N ALA A 48 11.122 2.124 -7.301 1.00 0.00 N ATOM 755 CA ALA A 48 12.049 3.296 -7.153 1.00 0.00 C ATOM 756 C ALA A 48 11.284 4.582 -7.399 1.00 0.00 C ATOM 757 O ALA A 48 11.387 5.546 -6.669 1.00 0.00 O ATOM 758 CB ALA A 48 13.209 3.207 -8.156 1.00 0.00 C ATOM 0 H ALA A 48 11.453 1.391 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 48 12.455 3.285 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.867 4.067 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.772 2.291 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.812 3.200 -9.171 1.00 0.00 H new ATOM 764 N ALA A 49 10.526 4.590 -8.427 1.00 0.00 N ATOM 765 CA ALA A 49 9.731 5.797 -8.775 1.00 0.00 C ATOM 766 C ALA A 49 8.755 6.107 -7.643 1.00 0.00 C ATOM 767 O ALA A 49 8.436 7.250 -7.378 1.00 0.00 O ATOM 768 CB ALA A 49 8.954 5.529 -10.065 1.00 0.00 C ATOM 0 H ALA A 49 10.410 3.802 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 49 10.396 6.648 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.368 6.410 -10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.653 5.305 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.286 4.680 -9.918 1.00 0.00 H new ATOM 774 N THR A 50 8.275 5.099 -6.978 1.00 0.00 N ATOM 775 CA THR A 50 7.316 5.329 -5.866 1.00 0.00 C ATOM 776 C THR A 50 7.987 6.135 -4.749 1.00 0.00 C ATOM 777 O THR A 50 7.378 7.001 -4.153 1.00 0.00 O ATOM 778 CB THR A 50 6.854 3.979 -5.310 1.00 0.00 C ATOM 779 OG1 THR A 50 6.340 3.185 -6.370 1.00 0.00 O ATOM 780 CG2 THR A 50 5.764 4.202 -4.261 1.00 0.00 C ATOM 0 H THR A 50 8.506 4.122 -7.157 1.00 0.00 H new ATOM 0 HA THR A 50 6.460 5.888 -6.243 1.00 0.00 H new ATOM 0 HB THR A 50 7.698 3.467 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.079 2.871 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.436 3.240 -3.866 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.160 4.812 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.917 4.714 -4.719 1.00 0.00 H new ATOM 788 N VAL A 51 9.227 5.854 -4.443 1.00 0.00 N ATOM 789 CA VAL A 51 9.899 6.608 -3.347 1.00 0.00 C ATOM 790 C VAL A 51 10.172 8.051 -3.774 1.00 0.00 C ATOM 791 O VAL A 51 9.828 8.971 -3.071 1.00 0.00 O ATOM 792 CB VAL A 51 11.208 5.908 -2.943 1.00 0.00 C ATOM 793 CG1 VAL A 51 11.040 4.392 -3.084 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.367 6.374 -3.828 1.00 0.00 C ATOM 0 H VAL A 51 9.797 5.142 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 51 9.234 6.628 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 51 11.434 6.164 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.967 3.895 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.232 4.054 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.801 4.147 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.283 5.867 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.148 6.137 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.496 7.451 -3.721 1.00 0.00 H new ATOM 804 N LEU A 52 10.775 8.274 -4.911 1.00 0.00 N ATOM 805 CA LEU A 52 11.026 9.686 -5.320 1.00 0.00 C ATOM 806 C LEU A 52 9.700 10.441 -5.286 1.00 0.00 C ATOM 807 O LEU A 52 9.655 11.632 -5.050 1.00 0.00 O ATOM 808 CB LEU A 52 11.602 9.730 -6.738 1.00 0.00 C ATOM 809 CG LEU A 52 13.102 9.433 -6.696 1.00 0.00 C ATOM 810 CD1 LEU A 52 13.703 9.656 -8.085 1.00 0.00 C ATOM 811 CD2 LEU A 52 13.781 10.367 -5.692 1.00 0.00 C ATOM 0 H LEU A 52 11.098 7.558 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 52 11.742 10.145 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.095 9.000 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.428 10.711 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 52 13.259 8.398 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.772 9.445 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.220 8.991 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.545 10.691 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.850 10.155 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.625 11.402 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.353 10.210 -4.702 1.00 0.00 H new ATOM 823 N ARG A 53 8.614 9.754 -5.521 1.00 0.00 N ATOM 824 CA ARG A 53 7.289 10.429 -5.502 1.00 0.00 C ATOM 825 C ARG A 53 6.990 10.939 -4.092 1.00 0.00 C ATOM 826 O ARG A 53 6.633 12.084 -3.897 1.00 0.00 O ATOM 827 CB ARG A 53 6.207 9.429 -5.915 1.00 0.00 C ATOM 828 CG ARG A 53 4.844 10.125 -5.914 1.00 0.00 C ATOM 829 CD ARG A 53 3.847 9.294 -6.726 1.00 0.00 C ATOM 830 NE ARG A 53 2.655 10.128 -7.049 1.00 0.00 N ATOM 831 CZ ARG A 53 1.508 9.875 -6.481 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.233 10.386 -5.312 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.636 9.111 -7.081 1.00 0.00 N ATOM 0 H ARG A 53 8.590 8.755 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 53 7.302 11.269 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.424 9.031 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.196 8.583 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.486 10.246 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.933 11.124 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.315 8.939 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.545 8.413 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 53 2.736 10.897 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.915 10.983 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.337 10.189 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.851 8.711 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.261 8.914 -6.636 1.00 0.00 H new ATOM 847 N GLN A 54 7.120 10.093 -3.109 1.00 0.00 N ATOM 848 CA GLN A 54 6.830 10.521 -1.709 1.00 0.00 C ATOM 849 C GLN A 54 7.894 11.489 -1.182 1.00 0.00 C ATOM 850 O GLN A 54 7.651 12.266 -0.279 1.00 0.00 O ATOM 851 CB GLN A 54 6.753 9.284 -0.801 1.00 0.00 C ATOM 852 CG GLN A 54 8.166 8.776 -0.498 1.00 0.00 C ATOM 853 CD GLN A 54 8.487 9.010 0.981 1.00 0.00 C ATOM 854 OE1 GLN A 54 8.285 8.139 1.802 1.00 0.00 O ATOM 855 NE2 GLN A 54 8.983 10.158 1.354 1.00 0.00 N ATOM 0 H GLN A 54 7.415 9.122 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 54 5.874 11.045 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.239 9.534 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.171 8.501 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.241 7.714 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.892 9.293 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.152 10.889 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.201 10.324 2.336 1.00 0.00 H new ATOM 864 N PHE A 55 9.074 11.395 -1.689 1.00 0.00 N ATOM 865 CA PHE A 55 10.191 12.242 -1.181 1.00 0.00 C ATOM 866 C PHE A 55 10.037 13.727 -1.546 1.00 0.00 C ATOM 867 O PHE A 55 10.138 14.571 -0.685 1.00 0.00 O ATOM 868 CB PHE A 55 11.516 11.709 -1.743 1.00 0.00 C ATOM 869 CG PHE A 55 12.643 12.172 -0.853 1.00 0.00 C ATOM 870 CD1 PHE A 55 12.755 11.659 0.444 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.566 13.117 -1.316 1.00 0.00 C ATOM 872 CE1 PHE A 55 13.788 12.091 1.281 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.602 13.548 -0.478 1.00 0.00 C ATOM 874 CZ PHE A 55 14.713 13.034 0.822 1.00 0.00 C ATOM 0 H PHE A 55 9.327 10.760 -2.446 1.00 0.00 H new ATOM 0 HA PHE A 55 10.175 12.183 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.495 10.620 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.666 12.069 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.043 10.929 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.479 13.513 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.872 11.696 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.316 14.277 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.512 13.366 1.468 1.00 0.00 H new ATOM 884 N TYR A 56 9.822 14.083 -2.785 1.00 0.00 N ATOM 885 CA TYR A 56 9.714 15.520 -3.111 1.00 0.00 C ATOM 886 C TYR A 56 8.397 16.118 -2.560 1.00 0.00 C ATOM 887 O TYR A 56 8.369 17.270 -2.175 1.00 0.00 O ATOM 888 CB TYR A 56 9.793 15.680 -4.639 1.00 0.00 C ATOM 889 CG TYR A 56 8.557 15.137 -5.309 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.343 15.807 -5.149 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.621 13.986 -6.104 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.189 15.332 -5.771 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.464 13.511 -6.728 1.00 0.00 C ATOM 894 CZ TYR A 56 6.247 14.183 -6.563 1.00 0.00 C ATOM 895 OH TYR A 56 5.107 13.710 -7.181 1.00 0.00 O ATOM 0 H TYR A 56 9.719 13.443 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 56 10.533 16.064 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.913 16.734 -4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.673 15.159 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.297 16.698 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.560 13.468 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.251 15.852 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.509 12.622 -7.340 1.00 0.00 H new ATOM 0 HH TYR A 56 5.293 12.838 -7.587 1.00 0.00 H new ATOM 905 N SER A 57 7.298 15.379 -2.519 1.00 0.00 N ATOM 906 CA SER A 57 6.038 15.982 -1.998 1.00 0.00 C ATOM 907 C SER A 57 6.124 16.204 -0.482 1.00 0.00 C ATOM 908 O SER A 57 5.796 17.262 0.018 1.00 0.00 O ATOM 909 CB SER A 57 4.867 15.046 -2.305 1.00 0.00 C ATOM 910 OG SER A 57 3.842 15.240 -1.341 1.00 0.00 O ATOM 0 H SER A 57 7.231 14.407 -2.819 1.00 0.00 H new ATOM 0 HA SER A 57 5.888 16.947 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.482 15.243 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.203 14.009 -2.291 1.00 0.00 H new ATOM 0 HG SER A 57 3.091 14.642 -1.537 1.00 0.00 H new ATOM 916 N HIS A 58 6.529 15.208 0.256 1.00 0.00 N ATOM 917 CA HIS A 58 6.598 15.347 1.742 1.00 0.00 C ATOM 918 C HIS A 58 7.732 16.288 2.169 1.00 0.00 C ATOM 919 O HIS A 58 7.615 16.998 3.148 1.00 0.00 O ATOM 920 CB HIS A 58 6.828 13.970 2.366 1.00 0.00 C ATOM 921 CG HIS A 58 5.754 13.696 3.384 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.043 13.472 4.721 1.00 0.00 N ATOM 923 CD2 HIS A 58 4.389 13.607 3.276 1.00 0.00 C ATOM 924 CE1 HIS A 58 4.876 13.263 5.358 1.00 0.00 C ATOM 925 NE2 HIS A 58 3.836 13.334 4.523 1.00 0.00 N ATOM 0 H HIS A 58 6.817 14.299 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 58 5.655 15.772 2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.816 13.202 1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.810 13.932 2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.829 13.730 2.361 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.791 13.062 6.416 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.849 13.214 4.751 1.00 0.00 H new ATOM 933 N HIS A 59 8.833 16.287 1.471 1.00 0.00 N ATOM 934 CA HIS A 59 9.963 17.166 1.877 1.00 0.00 C ATOM 935 C HIS A 59 9.618 18.633 1.621 1.00 0.00 C ATOM 936 O HIS A 59 10.103 19.510 2.308 1.00 0.00 O ATOM 937 CB HIS A 59 11.205 16.791 1.076 1.00 0.00 C ATOM 938 CG HIS A 59 12.179 16.063 1.961 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.229 16.710 2.595 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.276 14.743 2.329 1.00 0.00 C ATOM 941 CE1 HIS A 59 13.907 15.787 3.301 1.00 0.00 C ATOM 942 NE2 HIS A 59 13.368 14.570 3.175 1.00 0.00 N ATOM 0 H HIS A 59 8.998 15.718 0.641 1.00 0.00 H new ATOM 0 HA HIS A 59 10.151 17.030 2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.928 16.162 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.670 17.688 0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.606 13.958 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.781 16.003 3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.688 13.702 3.606 1.00 0.00 H new ATOM 950 N GLU A 60 8.796 18.907 0.638 1.00 0.00 N ATOM 951 CA GLU A 60 8.427 20.325 0.337 1.00 0.00 C ATOM 952 C GLU A 60 8.298 21.104 1.647 1.00 0.00 C ATOM 953 O GLU A 60 8.942 22.115 1.847 1.00 0.00 O ATOM 954 CB GLU A 60 7.091 20.360 -0.408 1.00 0.00 C ATOM 955 CG GLU A 60 7.296 19.901 -1.854 1.00 0.00 C ATOM 956 CD GLU A 60 6.692 20.933 -2.808 1.00 0.00 C ATOM 957 OE1 GLU A 60 7.343 21.936 -3.053 1.00 0.00 O ATOM 958 OE2 GLU A 60 5.589 20.703 -3.277 1.00 0.00 O ATOM 0 H GLU A 60 8.365 18.210 0.031 1.00 0.00 H new ATOM 0 HA GLU A 60 9.200 20.777 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.368 19.714 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.680 21.370 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.359 19.778 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.827 18.929 -2.008 1.00 0.00 H new ATOM 965 N LYS A 61 7.486 20.628 2.547 1.00 0.00 N ATOM 966 CA LYS A 61 7.331 21.324 3.855 1.00 0.00 C ATOM 967 C LYS A 61 7.494 20.298 4.983 1.00 0.00 C ATOM 968 O LYS A 61 6.572 19.584 5.326 1.00 0.00 O ATOM 969 CB LYS A 61 5.937 21.973 3.930 1.00 0.00 C ATOM 970 CG LYS A 61 4.860 20.885 3.968 1.00 0.00 C ATOM 971 CD LYS A 61 3.618 21.370 3.217 1.00 0.00 C ATOM 972 CE LYS A 61 2.365 21.021 4.023 1.00 0.00 C ATOM 973 NZ LYS A 61 2.169 22.034 5.097 1.00 0.00 N ATOM 0 H LYS A 61 6.922 19.786 2.434 1.00 0.00 H new ATOM 0 HA LYS A 61 8.088 22.102 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.865 22.600 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.781 22.622 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.238 19.969 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.604 20.648 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.673 22.447 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.571 20.905 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.494 20.996 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.465 20.027 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.318 21.798 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.997 22.037 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.056 22.975 4.670 1.00 0.00 H new ATOM 987 N ASP A 62 8.663 20.210 5.565 1.00 0.00 N ATOM 988 CA ASP A 62 8.865 19.223 6.661 1.00 0.00 C ATOM 989 C ASP A 62 10.081 19.621 7.484 1.00 0.00 C ATOM 990 O ASP A 62 10.684 18.813 8.163 1.00 0.00 O ATOM 991 CB ASP A 62 9.078 17.831 6.068 1.00 0.00 C ATOM 992 CG ASP A 62 8.370 16.791 6.937 1.00 0.00 C ATOM 993 OD1 ASP A 62 8.581 16.808 8.138 1.00 0.00 O ATOM 994 OD2 ASP A 62 7.628 15.993 6.387 1.00 0.00 O ATOM 0 H ASP A 62 9.479 20.775 5.329 1.00 0.00 H new ATOM 0 HA ASP A 62 7.983 19.208 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.690 17.795 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.143 17.608 6.011 1.00 0.00 H new ATOM 999 N THR A 63 10.441 20.866 7.421 1.00 0.00 N ATOM 1000 CA THR A 63 11.626 21.353 8.187 1.00 0.00 C ATOM 1001 C THR A 63 12.744 20.318 8.078 1.00 0.00 C ATOM 1002 O THR A 63 13.582 20.193 8.949 1.00 0.00 O ATOM 1003 CB THR A 63 11.244 21.547 9.656 1.00 0.00 C ATOM 1004 OG1 THR A 63 9.832 21.481 9.790 1.00 0.00 O ATOM 1005 CG2 THR A 63 11.740 22.911 10.139 1.00 0.00 C ATOM 0 H THR A 63 9.964 21.578 6.868 1.00 0.00 H new ATOM 0 HA THR A 63 11.964 22.306 7.779 1.00 0.00 H new ATOM 0 HB THR A 63 11.703 20.762 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.587 21.603 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.467 23.048 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.824 22.961 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.283 23.698 9.539 1.00 0.00 H new ATOM 1013 N ARG A 64 12.762 19.584 7.003 1.00 0.00 N ATOM 1014 CA ARG A 64 13.820 18.558 6.807 1.00 0.00 C ATOM 1015 C ARG A 64 14.773 19.060 5.730 1.00 0.00 C ATOM 1016 O ARG A 64 14.542 18.884 4.550 1.00 0.00 O ATOM 1017 CB ARG A 64 13.183 17.240 6.360 1.00 0.00 C ATOM 1018 CG ARG A 64 12.671 16.479 7.586 1.00 0.00 C ATOM 1019 CD ARG A 64 13.206 15.046 7.558 1.00 0.00 C ATOM 1020 NE ARG A 64 13.674 14.664 8.920 1.00 0.00 N ATOM 1021 CZ ARG A 64 14.633 13.789 9.059 1.00 0.00 C ATOM 1022 NH1 ARG A 64 15.848 14.091 8.693 1.00 0.00 N ATOM 1023 NH2 ARG A 64 14.375 12.613 9.562 1.00 0.00 N ATOM 0 H ARG A 64 12.083 19.652 6.245 1.00 0.00 H new ATOM 0 HA ARG A 64 14.359 18.388 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.361 17.436 5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.913 16.635 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.992 16.981 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.581 16.471 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.426 14.362 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.026 14.966 6.844 1.00 0.00 H new ATOM 0 HE ARG A 64 13.245 15.086 9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.048 15.010 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.598 13.408 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.424 12.377 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.124 11.929 9.671 1.00 0.00 H new ATOM 1037 N CYS A 65 15.831 19.704 6.125 1.00 0.00 N ATOM 1038 CA CYS A 65 16.790 20.242 5.124 1.00 0.00 C ATOM 1039 C CYS A 65 16.113 21.375 4.349 1.00 0.00 C ATOM 1040 O CYS A 65 16.612 21.836 3.340 1.00 0.00 O ATOM 1041 CB CYS A 65 17.204 19.133 4.153 1.00 0.00 C ATOM 1042 SG CYS A 65 18.556 19.724 3.106 1.00 0.00 S ATOM 0 H CYS A 65 16.075 19.882 7.099 1.00 0.00 H new ATOM 0 HA CYS A 65 17.678 20.618 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 65 17.518 18.248 4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 65 16.355 18.838 3.537 1.00 0.00 H new ATOM 1047 N LEU A 66 14.975 21.829 4.812 1.00 0.00 N ATOM 1048 CA LEU A 66 14.263 22.930 4.108 1.00 0.00 C ATOM 1049 C LEU A 66 15.272 23.998 3.683 1.00 0.00 C ATOM 1050 O LEU A 66 15.130 24.620 2.650 1.00 0.00 O ATOM 1051 CB LEU A 66 13.217 23.551 5.047 1.00 0.00 C ATOM 1052 CG LEU A 66 12.017 22.609 5.219 1.00 0.00 C ATOM 1053 CD1 LEU A 66 10.822 23.413 5.732 1.00 0.00 C ATOM 1054 CD2 LEU A 66 11.645 21.964 3.882 1.00 0.00 C ATOM 0 H LEU A 66 14.510 21.481 5.650 1.00 0.00 H new ATOM 0 HA LEU A 66 13.762 22.533 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.668 23.755 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.881 24.507 4.644 1.00 0.00 H new ATOM 0 HG LEU A 66 12.282 21.825 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.965 22.751 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.073 23.866 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.575 24.195 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.793 21.300 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.384 22.741 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.493 21.391 3.506 1.00 0.00 H new ATOM 1066 N GLY A 67 16.297 24.211 4.463 1.00 0.00 N ATOM 1067 CA GLY A 67 17.311 25.234 4.081 1.00 0.00 C ATOM 1068 C GLY A 67 17.259 26.420 5.060 1.00 0.00 C ATOM 1069 O GLY A 67 16.691 27.448 4.750 1.00 0.00 O ATOM 0 H GLY A 67 16.475 23.725 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.307 24.791 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.123 25.582 3.065 1.00 0.00 H new ATOM 1073 N ALA A 68 17.846 26.302 6.236 1.00 0.00 N ATOM 1074 CA ALA A 68 17.815 27.446 7.192 1.00 0.00 C ATOM 1075 C ALA A 68 18.111 28.738 6.429 1.00 0.00 C ATOM 1076 O ALA A 68 17.565 29.785 6.717 1.00 0.00 O ATOM 1077 CB ALA A 68 18.873 27.238 8.277 1.00 0.00 C ATOM 0 H ALA A 68 18.337 25.471 6.564 1.00 0.00 H new ATOM 0 HA ALA A 68 16.832 27.509 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.848 28.075 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.666 26.312 8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.859 27.178 7.817 1.00 0.00 H new ATOM 1083 N THR A 69 18.962 28.663 5.443 1.00 0.00 N ATOM 1084 CA THR A 69 19.288 29.872 4.637 1.00 0.00 C ATOM 1085 C THR A 69 18.135 30.130 3.660 1.00 0.00 C ATOM 1086 O THR A 69 17.891 29.326 2.788 1.00 0.00 O ATOM 1087 CB THR A 69 20.569 29.611 3.840 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.580 29.134 4.716 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.034 30.909 3.179 1.00 0.00 C ATOM 0 H THR A 69 19.448 27.812 5.160 1.00 0.00 H new ATOM 0 HA THR A 69 19.430 30.733 5.289 1.00 0.00 H new ATOM 0 HB THR A 69 20.373 28.865 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.400 28.965 4.207 1.00 0.00 H new ATOM 0 HG21 THR A 69 21.946 30.722 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.257 31.274 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.231 31.658 3.946 1.00 0.00 H new ATOM 1097 N ALA A 70 17.415 31.224 3.773 1.00 0.00 N ATOM 1098 CA ALA A 70 16.306 31.452 2.814 1.00 0.00 C ATOM 1099 C ALA A 70 16.836 31.210 1.402 1.00 0.00 C ATOM 1100 O ALA A 70 16.106 30.816 0.513 1.00 0.00 O ATOM 1101 CB ALA A 70 15.806 32.894 2.936 1.00 0.00 C ATOM 0 H ALA A 70 17.550 31.951 4.476 1.00 0.00 H new ATOM 0 HA ALA A 70 15.480 30.774 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.992 33.058 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.448 33.070 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.622 33.582 2.714 1.00 0.00 H new ATOM 1107 N GLN A 71 18.106 31.431 1.192 1.00 0.00 N ATOM 1108 CA GLN A 71 18.681 31.200 -0.164 1.00 0.00 C ATOM 1109 C GLN A 71 18.725 29.698 -0.449 1.00 0.00 C ATOM 1110 O GLN A 71 18.275 29.238 -1.479 1.00 0.00 O ATOM 1111 CB GLN A 71 20.097 31.777 -0.225 1.00 0.00 C ATOM 1112 CG GLN A 71 20.515 31.951 -1.687 1.00 0.00 C ATOM 1113 CD GLN A 71 19.616 32.996 -2.353 1.00 0.00 C ATOM 1114 OE1 GLN A 71 19.533 34.120 -1.898 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.937 32.670 -3.417 1.00 0.00 N ATOM 0 H GLN A 71 18.767 31.760 1.896 1.00 0.00 H new ATOM 0 HA GLN A 71 18.059 31.692 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.133 32.736 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.794 31.113 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.558 32.263 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.438 31.000 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.008 31.726 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.335 33.359 -3.869 1.00 0.00 H new ATOM 1124 N GLN A 72 19.261 28.930 0.460 1.00 0.00 N ATOM 1125 CA GLN A 72 19.331 27.458 0.246 1.00 0.00 C ATOM 1126 C GLN A 72 17.917 26.911 0.047 1.00 0.00 C ATOM 1127 O GLN A 72 17.708 25.927 -0.634 1.00 0.00 O ATOM 1128 CB GLN A 72 19.972 26.794 1.467 1.00 0.00 C ATOM 1129 CG GLN A 72 21.445 27.199 1.553 1.00 0.00 C ATOM 1130 CD GLN A 72 22.186 26.693 0.313 1.00 0.00 C ATOM 1131 OE1 GLN A 72 22.331 25.502 0.121 1.00 0.00 O ATOM 1132 NE2 GLN A 72 22.664 27.554 -0.542 1.00 0.00 N ATOM 0 H GLN A 72 19.654 29.259 1.342 1.00 0.00 H new ATOM 0 HA GLN A 72 19.933 27.244 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.448 27.094 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.886 25.710 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.532 28.283 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.896 26.783 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.542 28.554 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 72 23.159 27.228 -1.372 1.00 0.00 H new ATOM 1141 N PHE A 73 16.944 27.545 0.641 1.00 0.00 N ATOM 1142 CA PHE A 73 15.541 27.075 0.497 1.00 0.00 C ATOM 1143 C PHE A 73 15.158 27.047 -0.981 1.00 0.00 C ATOM 1144 O PHE A 73 14.468 26.158 -1.432 1.00 0.00 O ATOM 1145 CB PHE A 73 14.607 28.026 1.250 1.00 0.00 C ATOM 1146 CG PHE A 73 13.190 27.510 1.173 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.718 26.618 2.144 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.349 27.924 0.134 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.404 26.140 2.074 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.035 27.446 0.064 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.562 26.554 1.035 1.00 0.00 C ATOM 0 H PHE A 73 17.063 28.374 1.223 1.00 0.00 H new ATOM 0 HA PHE A 73 15.450 26.071 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.918 28.109 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.665 29.026 0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.367 26.299 2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.714 28.612 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.040 25.451 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.386 27.765 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.548 26.186 0.982 1.00 0.00 H new ATOM 1161 N HIS A 74 15.598 28.011 -1.743 1.00 0.00 N ATOM 1162 CA HIS A 74 15.248 28.020 -3.191 1.00 0.00 C ATOM 1163 C HIS A 74 15.720 26.727 -3.825 1.00 0.00 C ATOM 1164 O HIS A 74 15.062 26.137 -4.659 1.00 0.00 O ATOM 1165 CB HIS A 74 15.916 29.214 -3.876 1.00 0.00 C ATOM 1166 CG HIS A 74 14.964 29.820 -4.871 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.042 29.060 -5.571 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.782 31.115 -5.292 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.351 29.894 -6.370 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.763 31.158 -6.240 1.00 0.00 N ATOM 0 H HIS A 74 16.180 28.787 -1.428 1.00 0.00 H new ATOM 0 HA HIS A 74 14.168 28.107 -3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.205 29.958 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.829 28.894 -4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.343 31.969 -4.941 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.560 29.580 -7.035 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.407 31.979 -6.730 1.00 0.00 H new ATOM 1178 N ARG A 75 16.849 26.288 -3.413 1.00 0.00 N ATOM 1179 CA ARG A 75 17.410 25.016 -3.945 1.00 0.00 C ATOM 1180 C ARG A 75 16.570 23.852 -3.418 1.00 0.00 C ATOM 1181 O ARG A 75 16.429 22.828 -4.057 1.00 0.00 O ATOM 1182 CB ARG A 75 18.859 24.857 -3.478 1.00 0.00 C ATOM 1183 CG ARG A 75 19.628 26.153 -3.750 1.00 0.00 C ATOM 1184 CD ARG A 75 20.097 26.173 -5.206 1.00 0.00 C ATOM 1185 NE ARG A 75 21.385 26.916 -5.303 1.00 0.00 N ATOM 1186 CZ ARG A 75 21.564 27.790 -6.256 1.00 0.00 C ATOM 1187 NH1 ARG A 75 21.044 27.587 -7.435 1.00 0.00 N ATOM 1188 NH2 ARG A 75 22.265 28.868 -6.029 1.00 0.00 N ATOM 0 H ARG A 75 17.430 26.755 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 75 17.388 25.027 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.886 24.622 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.331 24.025 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.991 27.015 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.485 26.227 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.224 25.154 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.343 26.646 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 75 22.127 26.742 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.497 26.745 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.184 28.271 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.672 29.027 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.405 29.551 -6.773 1.00 0.00 H new ATOM 1202 N HIS A 76 16.011 24.010 -2.250 1.00 0.00 N ATOM 1203 CA HIS A 76 15.171 22.928 -1.659 1.00 0.00 C ATOM 1204 C HIS A 76 13.922 22.723 -2.521 1.00 0.00 C ATOM 1205 O HIS A 76 13.590 21.616 -2.890 1.00 0.00 O ATOM 1206 CB HIS A 76 14.765 23.331 -0.231 1.00 0.00 C ATOM 1207 CG HIS A 76 13.585 22.518 0.235 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.384 21.201 -0.150 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.536 22.830 1.064 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.251 20.776 0.444 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.696 21.730 1.193 1.00 0.00 N ATOM 0 H HIS A 76 16.100 24.848 -1.675 1.00 0.00 H new ATOM 0 HA HIS A 76 15.735 21.996 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.606 23.183 0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.516 24.392 -0.204 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.386 23.786 1.544 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.842 19.783 0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.839 21.666 1.743 1.00 0.00 H new ATOM 1219 N LYS A 77 13.224 23.781 -2.837 1.00 0.00 N ATOM 1220 CA LYS A 77 11.989 23.645 -3.664 1.00 0.00 C ATOM 1221 C LYS A 77 12.338 23.277 -5.112 1.00 0.00 C ATOM 1222 O LYS A 77 11.602 22.573 -5.773 1.00 0.00 O ATOM 1223 CB LYS A 77 11.224 24.971 -3.657 1.00 0.00 C ATOM 1224 CG LYS A 77 10.582 25.181 -2.285 1.00 0.00 C ATOM 1225 CD LYS A 77 9.058 25.178 -2.429 1.00 0.00 C ATOM 1226 CE LYS A 77 8.414 25.159 -1.041 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.877 26.513 -0.726 1.00 0.00 N ATOM 0 H LYS A 77 13.456 24.734 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 77 11.375 22.852 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.901 25.795 -3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.458 24.965 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.895 24.392 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.916 26.126 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.733 26.060 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.738 24.308 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.612 24.421 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.148 24.863 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.083 26.425 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.626 27.092 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.546 26.968 -1.601 1.00 0.00 H new ATOM 1241 N GLN A 78 13.431 23.773 -5.621 1.00 0.00 N ATOM 1242 CA GLN A 78 13.799 23.483 -7.039 1.00 0.00 C ATOM 1243 C GLN A 78 14.222 22.021 -7.237 1.00 0.00 C ATOM 1244 O GLN A 78 13.893 21.411 -8.234 1.00 0.00 O ATOM 1245 CB GLN A 78 14.957 24.395 -7.449 1.00 0.00 C ATOM 1246 CG GLN A 78 15.414 24.035 -8.864 1.00 0.00 C ATOM 1247 CD GLN A 78 16.736 24.741 -9.169 1.00 0.00 C ATOM 1248 OE1 GLN A 78 16.994 25.817 -8.667 1.00 0.00 O ATOM 1249 NE2 GLN A 78 17.592 24.177 -9.978 1.00 0.00 N ATOM 0 H GLN A 78 14.088 24.368 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 78 12.920 23.665 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.643 25.438 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.785 24.286 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.537 22.956 -8.954 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.656 24.331 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.376 23.274 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.476 24.640 -10.188 1.00 0.00 H new ATOM 1258 N LEU A 79 14.962 21.454 -6.324 1.00 0.00 N ATOM 1259 CA LEU A 79 15.408 20.052 -6.501 1.00 0.00 C ATOM 1260 C LEU A 79 14.236 19.119 -6.329 1.00 0.00 C ATOM 1261 O LEU A 79 13.986 18.295 -7.168 1.00 0.00 O ATOM 1262 CB LEU A 79 16.501 19.715 -5.486 1.00 0.00 C ATOM 1263 CG LEU A 79 17.783 20.470 -5.847 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.326 21.174 -4.602 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.827 19.482 -6.370 1.00 0.00 C ATOM 0 H LEU A 79 15.275 21.905 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 79 15.815 19.932 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.176 19.988 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.688 18.641 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 79 17.565 21.209 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.239 21.712 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.582 21.878 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.544 20.434 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.740 20.019 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.046 18.742 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.440 18.979 -7.256 1.00 0.00 H new ATOM 1277 N ILE A 80 13.503 19.243 -5.266 1.00 0.00 N ATOM 1278 CA ILE A 80 12.335 18.345 -5.108 1.00 0.00 C ATOM 1279 C ILE A 80 11.481 18.482 -6.350 1.00 0.00 C ATOM 1280 O ILE A 80 11.005 17.529 -6.908 1.00 0.00 O ATOM 1281 CB ILE A 80 11.493 18.755 -3.911 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.300 20.275 -3.901 1.00 0.00 C ATOM 1283 CG2 ILE A 80 12.175 18.286 -2.624 1.00 0.00 C ATOM 1284 CD1 ILE A 80 10.892 20.738 -2.498 1.00 0.00 C ATOM 0 H ILE A 80 13.657 19.913 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 80 12.684 17.323 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 80 10.511 18.288 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.223 20.770 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.535 20.558 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.572 18.580 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.278 17.201 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.162 18.743 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.756 21.820 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.958 20.255 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.672 20.470 -1.785 1.00 0.00 H new ATOM 1296 N ARG A 81 11.294 19.686 -6.774 1.00 0.00 N ATOM 1297 CA ARG A 81 10.475 19.939 -7.991 1.00 0.00 C ATOM 1298 C ARG A 81 11.015 19.077 -9.125 1.00 0.00 C ATOM 1299 O ARG A 81 10.282 18.377 -9.793 1.00 0.00 O ATOM 1300 CB ARG A 81 10.580 21.410 -8.387 1.00 0.00 C ATOM 1301 CG ARG A 81 9.392 21.784 -9.276 1.00 0.00 C ATOM 1302 CD ARG A 81 9.190 23.300 -9.249 1.00 0.00 C ATOM 1303 NE ARG A 81 8.256 23.657 -8.143 1.00 0.00 N ATOM 1304 CZ ARG A 81 6.979 23.773 -8.382 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.241 22.705 -8.523 1.00 0.00 N ATOM 1306 NH2 ARG A 81 6.438 24.957 -8.479 1.00 0.00 N ATOM 0 H ARG A 81 11.675 20.522 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 81 9.432 19.695 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.593 22.038 -7.496 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.515 21.589 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.569 21.448 -10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.491 21.280 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.147 23.803 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.788 23.641 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 81 8.615 23.810 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.663 21.780 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.242 22.796 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.014 25.792 -8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.439 25.048 -8.666 1.00 0.00 H new ATOM 1320 N PHE A 82 12.300 19.115 -9.335 1.00 0.00 N ATOM 1321 CA PHE A 82 12.906 18.305 -10.400 1.00 0.00 C ATOM 1322 C PHE A 82 12.735 16.828 -10.046 1.00 0.00 C ATOM 1323 O PHE A 82 12.622 15.986 -10.914 1.00 0.00 O ATOM 1324 CB PHE A 82 14.381 18.683 -10.499 1.00 0.00 C ATOM 1325 CG PHE A 82 14.534 19.870 -11.420 1.00 0.00 C ATOM 1326 CD1 PHE A 82 13.864 21.066 -11.137 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.346 19.773 -12.556 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.006 22.166 -11.991 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.488 20.874 -13.410 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.818 22.071 -13.128 1.00 0.00 C ATOM 0 H PHE A 82 12.957 19.684 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 82 12.428 18.486 -11.363 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.773 18.923 -9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.959 17.839 -10.876 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.238 21.140 -10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.863 18.850 -12.774 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.489 23.089 -11.773 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.115 20.800 -14.287 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.927 22.920 -13.787 1.00 0.00 H new ATOM 1340 N LEU A 83 12.687 16.497 -8.777 1.00 0.00 N ATOM 1341 CA LEU A 83 12.492 15.069 -8.413 1.00 0.00 C ATOM 1342 C LEU A 83 11.142 14.614 -8.938 1.00 0.00 C ATOM 1343 O LEU A 83 11.012 13.614 -9.612 1.00 0.00 O ATOM 1344 CB LEU A 83 12.508 14.938 -6.898 1.00 0.00 C ATOM 1345 CG LEU A 83 13.957 14.841 -6.421 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.001 14.771 -4.893 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.604 13.584 -7.007 1.00 0.00 C ATOM 0 H LEU A 83 12.773 17.145 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 83 13.286 14.459 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.018 15.798 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.951 14.053 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 83 14.502 15.724 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.037 14.702 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.545 15.668 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.452 13.893 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.637 13.514 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.053 12.703 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.583 13.638 -8.095 1.00 0.00 H new ATOM 1359 N LYS A 84 10.151 15.371 -8.625 1.00 0.00 N ATOM 1360 CA LYS A 84 8.766 15.068 -9.074 1.00 0.00 C ATOM 1361 C LYS A 84 8.729 15.023 -10.592 1.00 0.00 C ATOM 1362 O LYS A 84 8.083 14.175 -11.172 1.00 0.00 O ATOM 1363 CB LYS A 84 7.808 16.147 -8.565 1.00 0.00 C ATOM 1364 CG LYS A 84 6.434 15.953 -9.209 1.00 0.00 C ATOM 1365 CD LYS A 84 5.543 17.155 -8.886 1.00 0.00 C ATOM 1366 CE LYS A 84 4.689 17.501 -10.107 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.621 16.475 -10.273 1.00 0.00 N ATOM 0 H LYS A 84 10.236 16.216 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 84 8.458 14.102 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.724 16.091 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.197 17.137 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.539 15.845 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.974 15.036 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.903 16.928 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.157 18.011 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.244 18.488 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.312 17.541 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.360 16.405 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.971 15.553 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.786 16.749 -9.716 1.00 0.00 H new ATOM 1381 N ARG A 85 9.433 15.896 -11.261 1.00 0.00 N ATOM 1382 CA ARG A 85 9.422 15.811 -12.740 1.00 0.00 C ATOM 1383 C ARG A 85 9.808 14.383 -13.074 1.00 0.00 C ATOM 1384 O ARG A 85 9.258 13.743 -13.949 1.00 0.00 O ATOM 1385 CB ARG A 85 10.442 16.788 -13.332 1.00 0.00 C ATOM 1386 CG ARG A 85 9.869 18.207 -13.297 1.00 0.00 C ATOM 1387 CD ARG A 85 10.921 19.195 -13.806 1.00 0.00 C ATOM 1388 NE ARG A 85 10.503 20.584 -13.465 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.743 21.561 -14.298 1.00 0.00 C ATOM 1390 NH1 ARG A 85 10.271 21.512 -15.514 1.00 0.00 N ATOM 1391 NH2 ARG A 85 11.455 22.586 -13.915 1.00 0.00 N ATOM 0 H ARG A 85 9.999 16.643 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 85 8.446 16.070 -13.152 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.373 16.746 -12.766 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.680 16.505 -14.358 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.972 18.264 -13.914 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.573 18.466 -12.280 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.890 18.975 -13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.039 19.094 -14.885 1.00 0.00 H new ATOM 0 HE ARG A 85 10.030 20.772 -12.581 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.715 20.711 -15.813 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.458 22.275 -16.165 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.824 22.624 -12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.642 23.349 -14.566 1.00 0.00 H new ATOM 1405 N LEU A 86 10.748 13.888 -12.332 1.00 0.00 N ATOM 1406 CA LEU A 86 11.215 12.491 -12.512 1.00 0.00 C ATOM 1407 C LEU A 86 10.150 11.497 -12.018 1.00 0.00 C ATOM 1408 O LEU A 86 10.067 10.401 -12.512 1.00 0.00 O ATOM 1409 CB LEU A 86 12.513 12.283 -11.725 1.00 0.00 C ATOM 1410 CG LEU A 86 13.109 10.910 -12.054 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.076 10.681 -13.567 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.558 10.856 -11.565 1.00 0.00 C ATOM 0 H LEU A 86 11.224 14.403 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 86 11.392 12.314 -13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.228 13.068 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.316 12.357 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 86 12.524 10.135 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.501 9.704 -13.796 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.045 10.720 -13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.659 11.456 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.984 9.880 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.139 11.634 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.584 11.016 -10.487 1.00 0.00 H new ATOM 1424 N ASP A 87 9.351 11.834 -11.030 1.00 0.00 N ATOM 1425 CA ASP A 87 8.346 10.843 -10.552 1.00 0.00 C ATOM 1426 C ASP A 87 7.252 10.615 -11.604 1.00 0.00 C ATOM 1427 O ASP A 87 6.914 9.492 -11.923 1.00 0.00 O ATOM 1428 CB ASP A 87 7.711 11.349 -9.259 1.00 0.00 C ATOM 1429 CG ASP A 87 6.612 10.380 -8.820 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.807 9.185 -8.970 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.593 10.849 -8.340 1.00 0.00 O ATOM 0 H ASP A 87 9.353 12.732 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 87 8.854 9.895 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.467 11.436 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.294 12.345 -9.411 1.00 0.00 H new ATOM 1436 N ARG A 88 6.680 11.662 -12.132 1.00 0.00 N ATOM 1437 CA ARG A 88 5.594 11.494 -13.143 1.00 0.00 C ATOM 1438 C ARG A 88 6.147 10.853 -14.424 1.00 0.00 C ATOM 1439 O ARG A 88 5.548 9.965 -14.997 1.00 0.00 O ATOM 1440 CB ARG A 88 5.008 12.866 -13.483 1.00 0.00 C ATOM 1441 CG ARG A 88 3.496 12.845 -13.249 1.00 0.00 C ATOM 1442 CD ARG A 88 3.198 13.205 -11.793 1.00 0.00 C ATOM 1443 NE ARG A 88 1.840 12.714 -11.427 1.00 0.00 N ATOM 1444 CZ ARG A 88 0.904 13.564 -11.103 1.00 0.00 C ATOM 1445 NH1 ARG A 88 1.120 14.446 -10.167 1.00 0.00 N ATOM 1446 NH2 ARG A 88 -0.249 13.531 -11.715 1.00 0.00 N ATOM 0 H ARG A 88 6.917 12.628 -11.908 1.00 0.00 H new ATOM 0 HA ARG A 88 4.822 10.846 -12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.472 13.635 -12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.223 13.118 -14.521 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.004 13.552 -13.917 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.096 11.858 -13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.946 12.760 -11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.255 14.285 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 88 1.642 11.713 -11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.020 14.472 -9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.389 15.110 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.418 12.841 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.980 14.195 -11.461 1.00 0.00 H new ATOM 1460 N ASN A 89 7.276 11.317 -14.884 1.00 0.00 N ATOM 1461 CA ASN A 89 7.872 10.757 -16.151 1.00 0.00 C ATOM 1462 C ASN A 89 8.396 9.335 -15.916 1.00 0.00 C ATOM 1463 O ASN A 89 8.218 8.455 -16.730 1.00 0.00 O ATOM 1464 CB ASN A 89 9.013 11.683 -16.649 1.00 0.00 C ATOM 1465 CG ASN A 89 10.311 10.896 -16.879 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.332 11.208 -16.302 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.305 9.880 -17.698 1.00 0.00 N ATOM 0 H ASN A 89 7.819 12.060 -14.444 1.00 0.00 H new ATOM 0 HA ASN A 89 7.097 10.710 -16.916 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.711 12.169 -17.577 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.189 12.472 -15.918 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.160 9.346 -17.854 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.445 9.620 -18.182 1.00 0.00 H new ATOM 1474 N LEU A 90 9.075 9.120 -14.833 1.00 0.00 N ATOM 1475 CA LEU A 90 9.642 7.782 -14.555 1.00 0.00 C ATOM 1476 C LEU A 90 8.570 6.699 -14.723 1.00 0.00 C ATOM 1477 O LEU A 90 8.872 5.572 -15.052 1.00 0.00 O ATOM 1478 CB LEU A 90 10.195 7.769 -13.127 1.00 0.00 C ATOM 1479 CG LEU A 90 10.955 6.468 -12.874 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.817 6.154 -14.092 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.857 6.634 -11.649 1.00 0.00 C ATOM 0 H LEU A 90 9.264 9.824 -14.119 1.00 0.00 H new ATOM 0 HA LEU A 90 10.445 7.571 -15.262 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.857 8.622 -12.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.379 7.869 -12.411 1.00 0.00 H new ATOM 0 HG LEU A 90 10.248 5.657 -12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.364 5.227 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.180 6.043 -14.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.524 6.967 -14.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.399 5.706 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.568 7.441 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.247 6.873 -10.778 1.00 0.00 H new ATOM 1493 N TRP A 91 7.325 7.020 -14.495 1.00 0.00 N ATOM 1494 CA TRP A 91 6.258 5.997 -14.645 1.00 0.00 C ATOM 1495 C TRP A 91 6.158 5.576 -16.121 1.00 0.00 C ATOM 1496 O TRP A 91 5.954 4.417 -16.423 1.00 0.00 O ATOM 1497 CB TRP A 91 4.924 6.582 -14.158 1.00 0.00 C ATOM 1498 CG TRP A 91 4.890 6.578 -12.670 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.795 7.683 -11.912 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.932 5.448 -11.754 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.788 7.314 -10.579 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.870 5.943 -10.430 1.00 0.00 C ATOM 1503 CE3 TRP A 91 5.021 4.056 -11.939 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.895 5.089 -9.327 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 5.046 3.192 -10.831 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.984 3.708 -9.528 1.00 0.00 C ATOM 0 H TRP A 91 7.004 7.946 -14.212 1.00 0.00 H new ATOM 0 HA TRP A 91 6.496 5.118 -14.047 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.803 7.599 -14.532 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.093 5.997 -14.552 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.734 8.695 -12.283 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.730 7.973 -9.802 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.070 3.649 -12.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.846 5.491 -8.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 5.113 2.125 -10.983 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.005 3.039 -8.680 1.00 0.00 H new ATOM 1517 N GLY A 92 6.312 6.495 -17.049 1.00 0.00 N ATOM 1518 CA GLY A 92 6.237 6.109 -18.487 1.00 0.00 C ATOM 1519 C GLY A 92 7.479 5.296 -18.864 1.00 0.00 C ATOM 1520 O GLY A 92 7.391 4.233 -19.445 1.00 0.00 O ATOM 0 H GLY A 92 6.484 7.484 -16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.336 5.523 -18.671 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.170 7.000 -19.111 1.00 0.00 H new ATOM 1524 N LEU A 93 8.638 5.804 -18.540 1.00 0.00 N ATOM 1525 CA LEU A 93 9.903 5.088 -18.876 1.00 0.00 C ATOM 1526 C LEU A 93 9.922 3.708 -18.206 1.00 0.00 C ATOM 1527 O LEU A 93 10.513 2.773 -18.710 1.00 0.00 O ATOM 1528 CB LEU A 93 11.090 5.927 -18.384 1.00 0.00 C ATOM 1529 CG LEU A 93 12.414 5.189 -18.622 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.400 4.499 -19.987 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.561 6.199 -18.591 1.00 0.00 C ATOM 0 H LEU A 93 8.763 6.691 -18.053 1.00 0.00 H new ATOM 0 HA LEU A 93 9.971 4.948 -19.955 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.104 6.885 -18.903 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.974 6.142 -17.322 1.00 0.00 H new ATOM 0 HG LEU A 93 12.546 4.438 -17.843 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.346 3.980 -20.142 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.581 3.780 -20.023 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.263 5.245 -20.770 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.506 5.682 -18.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.411 6.944 -19.372 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.585 6.692 -17.619 1.00 0.00 H new ATOM 1543 N ALA A 94 9.281 3.570 -17.078 1.00 0.00 N ATOM 1544 CA ALA A 94 9.267 2.251 -16.386 1.00 0.00 C ATOM 1545 C ALA A 94 8.377 1.278 -17.163 1.00 0.00 C ATOM 1546 O ALA A 94 8.854 0.355 -17.794 1.00 0.00 O ATOM 1547 CB ALA A 94 8.717 2.423 -14.968 1.00 0.00 C ATOM 0 H ALA A 94 8.767 4.314 -16.606 1.00 0.00 H new ATOM 0 HA ALA A 94 10.282 1.856 -16.336 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.707 1.458 -14.462 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.350 3.116 -14.414 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.702 2.818 -15.017 1.00 0.00 H new ATOM 1553 N GLY A 95 7.089 1.480 -17.128 1.00 0.00 N ATOM 1554 CA GLY A 95 6.175 0.566 -17.872 1.00 0.00 C ATOM 1555 C GLY A 95 5.129 -0.018 -16.917 1.00 0.00 C ATOM 1556 O GLY A 95 4.018 -0.314 -17.310 1.00 0.00 O ATOM 0 H GLY A 95 6.630 2.235 -16.619 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.681 1.109 -18.678 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.748 -0.238 -18.334 1.00 0.00 H new ATOM 1560 N LEU A 96 5.470 -0.188 -15.669 1.00 0.00 N ATOM 1561 CA LEU A 96 4.493 -0.753 -14.703 1.00 0.00 C ATOM 1562 C LEU A 96 4.082 0.331 -13.704 1.00 0.00 C ATOM 1563 O LEU A 96 4.716 1.361 -13.593 1.00 0.00 O ATOM 1564 CB LEU A 96 5.144 -1.906 -13.944 1.00 0.00 C ATOM 1565 CG LEU A 96 4.084 -2.950 -13.582 1.00 0.00 C ATOM 1566 CD1 LEU A 96 3.916 -3.929 -14.745 1.00 0.00 C ATOM 1567 CD2 LEU A 96 4.527 -3.712 -12.332 1.00 0.00 C ATOM 0 H LEU A 96 6.384 0.041 -15.279 1.00 0.00 H new ATOM 0 HA LEU A 96 3.615 -1.112 -15.241 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.923 -2.362 -14.555 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.625 -1.533 -13.040 1.00 0.00 H new ATOM 0 HG LEU A 96 3.134 -2.453 -13.386 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.162 -4.673 -14.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.601 -3.385 -15.636 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.865 -4.428 -14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.773 -4.456 -12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.477 -4.210 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.647 -3.014 -11.504 1.00 0.00 H new ATOM 1579 N ASN A 97 3.018 0.106 -12.982 1.00 0.00 N ATOM 1580 CA ASN A 97 2.557 1.119 -11.995 1.00 0.00 C ATOM 1581 C ASN A 97 1.771 0.427 -10.878 1.00 0.00 C ATOM 1582 O ASN A 97 0.697 0.856 -10.506 1.00 0.00 O ATOM 1583 CB ASN A 97 1.652 2.124 -12.701 1.00 0.00 C ATOM 1584 CG ASN A 97 1.544 3.397 -11.859 1.00 0.00 C ATOM 1585 OD1 ASN A 97 2.520 3.850 -11.296 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.390 3.995 -11.749 1.00 0.00 N ATOM 0 H ASN A 97 2.448 -0.738 -13.035 1.00 0.00 H new ATOM 0 HA ASN A 97 3.418 1.632 -11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.053 2.361 -13.686 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.663 1.693 -12.855 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.307 4.844 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.429 3.614 -12.222 1.00 0.00 H new ATOM 1593 N SER A 98 2.294 -0.641 -10.340 1.00 0.00 N ATOM 1594 CA SER A 98 1.572 -1.356 -9.251 1.00 0.00 C ATOM 1595 C SER A 98 2.546 -2.268 -8.500 1.00 0.00 C ATOM 1596 O SER A 98 2.470 -3.478 -8.590 1.00 0.00 O ATOM 1597 CB SER A 98 0.448 -2.201 -9.855 1.00 0.00 C ATOM 1598 OG SER A 98 -0.719 -1.403 -9.998 1.00 0.00 O ATOM 0 H SER A 98 3.190 -1.049 -10.608 1.00 0.00 H new ATOM 0 HA SER A 98 1.151 -0.628 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.754 -2.594 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.239 -3.059 -9.215 1.00 0.00 H new ATOM 0 HG SER A 98 -0.463 -0.461 -10.086 1.00 0.00 H new ATOM 1604 N CYS A 99 3.466 -1.702 -7.765 1.00 0.00 N ATOM 1605 CA CYS A 99 4.443 -2.544 -7.018 1.00 0.00 C ATOM 1606 C CYS A 99 4.390 -2.203 -5.525 1.00 0.00 C ATOM 1607 O CYS A 99 5.352 -1.706 -4.973 1.00 0.00 O ATOM 1608 CB CYS A 99 5.851 -2.270 -7.549 1.00 0.00 C ATOM 1609 SG CYS A 99 5.810 -2.214 -9.357 1.00 0.00 S ATOM 0 H CYS A 99 3.582 -0.695 -7.650 1.00 0.00 H new ATOM 0 HA CYS A 99 4.192 -3.596 -7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.224 -1.325 -7.153 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.536 -3.049 -7.214 1.00 0.00 H new ATOM 1614 N PRO A 100 3.270 -2.490 -4.911 1.00 0.00 N ATOM 1615 CA PRO A 100 3.049 -2.236 -3.453 1.00 0.00 C ATOM 1616 C PRO A 100 3.798 -3.272 -2.610 1.00 0.00 C ATOM 1617 O PRO A 100 3.577 -4.461 -2.731 1.00 0.00 O ATOM 1618 CB PRO A 100 1.542 -2.390 -3.295 1.00 0.00 C ATOM 1619 CG PRO A 100 1.069 -3.269 -4.444 1.00 0.00 C ATOM 1620 CD PRO A 100 2.079 -3.107 -5.583 1.00 0.00 C ATOM 0 HA PRO A 100 3.411 -1.262 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.298 -2.844 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.049 -1.418 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.006 -4.311 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.072 -2.973 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.327 -4.066 -6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.690 -2.468 -6.376 1.00 0.00 H new ATOM 1628 N VAL A 101 4.684 -2.832 -1.760 1.00 0.00 N ATOM 1629 CA VAL A 101 5.446 -3.791 -0.914 1.00 0.00 C ATOM 1630 C VAL A 101 5.719 -3.163 0.455 1.00 0.00 C ATOM 1631 O VAL A 101 4.914 -2.416 0.975 1.00 0.00 O ATOM 1632 CB VAL A 101 6.773 -4.126 -1.600 1.00 0.00 C ATOM 1633 CG1 VAL A 101 6.512 -4.509 -3.058 1.00 0.00 C ATOM 1634 CG2 VAL A 101 7.694 -2.906 -1.550 1.00 0.00 C ATOM 0 H VAL A 101 4.913 -1.849 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 101 4.864 -4.703 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 101 7.248 -4.961 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.457 -4.747 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.855 -5.378 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.037 -3.674 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.639 -3.143 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.220 -2.071 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.881 -2.633 -0.511 1.00 0.00 H new ATOM 1644 N LYS A 102 6.846 -3.457 1.044 1.00 0.00 N ATOM 1645 CA LYS A 102 7.167 -2.874 2.378 1.00 0.00 C ATOM 1646 C LYS A 102 8.631 -3.151 2.708 1.00 0.00 C ATOM 1647 O LYS A 102 8.951 -4.012 3.503 1.00 0.00 O ATOM 1648 CB LYS A 102 6.269 -3.504 3.448 1.00 0.00 C ATOM 1649 CG LYS A 102 5.927 -4.942 3.050 1.00 0.00 C ATOM 1650 CD LYS A 102 4.488 -5.003 2.537 1.00 0.00 C ATOM 1651 CE LYS A 102 3.814 -6.275 3.054 1.00 0.00 C ATOM 1652 NZ LYS A 102 3.339 -6.053 4.449 1.00 0.00 N ATOM 0 H LYS A 102 7.559 -4.076 0.659 1.00 0.00 H new ATOM 0 HA LYS A 102 6.994 -1.798 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.775 -3.494 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.356 -2.920 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.614 -5.290 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.047 -5.606 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.935 -4.125 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.479 -4.991 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.975 -6.542 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.516 -7.109 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.881 -6.917 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.148 -5.818 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.656 -5.269 4.463 1.00 0.00 H new ATOM 1666 N GLU A 103 9.522 -2.425 2.097 1.00 0.00 N ATOM 1667 CA GLU A 103 10.972 -2.635 2.362 1.00 0.00 C ATOM 1668 C GLU A 103 11.326 -2.065 3.733 1.00 0.00 C ATOM 1669 O GLU A 103 11.761 -0.939 3.860 1.00 0.00 O ATOM 1670 CB GLU A 103 11.796 -1.928 1.285 1.00 0.00 C ATOM 1671 CG GLU A 103 13.285 -2.056 1.615 1.00 0.00 C ATOM 1672 CD GLU A 103 13.836 -3.341 0.994 1.00 0.00 C ATOM 1673 OE1 GLU A 103 14.093 -3.336 -0.199 1.00 0.00 O ATOM 1674 OE2 GLU A 103 13.992 -4.308 1.721 1.00 0.00 O ATOM 0 H GLU A 103 9.308 -1.691 1.422 1.00 0.00 H new ATOM 0 HA GLU A 103 11.194 -3.702 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.590 -2.366 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.514 -0.877 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.829 -1.192 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.429 -2.071 2.695 1.00 0.00 H new ATOM 1681 N ALA A 104 11.142 -2.843 4.758 1.00 0.00 N ATOM 1682 CA ALA A 104 11.465 -2.362 6.131 1.00 0.00 C ATOM 1683 C ALA A 104 12.909 -1.852 6.167 1.00 0.00 C ATOM 1684 O ALA A 104 13.246 -0.968 6.928 1.00 0.00 O ATOM 1685 CB ALA A 104 11.305 -3.512 7.127 1.00 0.00 C ATOM 0 H ALA A 104 10.781 -3.795 4.707 1.00 0.00 H new ATOM 0 HA ALA A 104 10.787 -1.552 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.541 -3.159 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.277 -3.874 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.982 -4.323 6.858 1.00 0.00 H new ATOM 1691 N ASN A 105 13.764 -2.405 5.349 1.00 0.00 N ATOM 1692 CA ASN A 105 15.184 -1.951 5.339 1.00 0.00 C ATOM 1693 C ASN A 105 15.234 -0.437 5.126 1.00 0.00 C ATOM 1694 O ASN A 105 14.229 0.241 5.187 1.00 0.00 O ATOM 1695 CB ASN A 105 15.934 -2.652 4.203 1.00 0.00 C ATOM 1696 CG ASN A 105 16.170 -4.117 4.577 1.00 0.00 C ATOM 1697 OD1 ASN A 105 16.490 -4.424 5.708 1.00 0.00 O ATOM 1698 ND2 ASN A 105 16.024 -5.040 3.667 1.00 0.00 N ATOM 0 H ASN A 105 13.541 -3.150 4.689 1.00 0.00 H new ATOM 0 HA ASN A 105 15.652 -2.199 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.358 -2.589 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.886 -2.154 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.178 -6.020 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.755 -4.782 2.717 1.00 0.00 H new ATOM 1705 N GLN A 106 16.398 0.100 4.875 1.00 0.00 N ATOM 1706 CA GLN A 106 16.508 1.570 4.659 1.00 0.00 C ATOM 1707 C GLN A 106 17.768 1.879 3.849 1.00 0.00 C ATOM 1708 O GLN A 106 18.787 1.233 3.996 1.00 0.00 O ATOM 1709 CB GLN A 106 16.583 2.280 6.013 1.00 0.00 C ATOM 1710 CG GLN A 106 17.948 2.018 6.652 1.00 0.00 C ATOM 1711 CD GLN A 106 18.073 2.830 7.941 1.00 0.00 C ATOM 1712 OE1 GLN A 106 17.511 2.471 8.956 1.00 0.00 O ATOM 1713 NE2 GLN A 106 18.792 3.920 7.945 1.00 0.00 N ATOM 0 H GLN A 106 17.276 -0.416 4.810 1.00 0.00 H new ATOM 0 HA GLN A 106 15.633 1.921 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.430 3.351 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.788 1.922 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.063 0.956 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.744 2.291 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.264 4.222 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.881 4.469 8.800 1.00 0.00 H new ATOM 1722 N SER A 107 17.707 2.864 2.996 1.00 0.00 N ATOM 1723 CA SER A 107 18.897 3.220 2.174 1.00 0.00 C ATOM 1724 C SER A 107 19.121 4.733 2.246 1.00 0.00 C ATOM 1725 O SER A 107 18.451 5.428 2.978 1.00 0.00 O ATOM 1726 CB SER A 107 18.656 2.800 0.722 1.00 0.00 C ATOM 1727 OG SER A 107 18.279 3.935 -0.045 1.00 0.00 O ATOM 0 H SER A 107 16.881 3.440 2.833 1.00 0.00 H new ATOM 0 HA SER A 107 19.778 2.704 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.559 2.352 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.874 2.042 0.677 1.00 0.00 H new ATOM 0 HG SER A 107 18.126 3.665 -0.975 1.00 0.00 H new ATOM 1733 N THR A 108 20.055 5.250 1.493 1.00 0.00 N ATOM 1734 CA THR A 108 20.314 6.719 1.522 1.00 0.00 C ATOM 1735 C THR A 108 19.899 7.336 0.182 1.00 0.00 C ATOM 1736 O THR A 108 20.162 6.786 -0.867 1.00 0.00 O ATOM 1737 CB THR A 108 21.807 6.967 1.752 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.561 6.175 0.844 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.175 6.590 3.188 1.00 0.00 C ATOM 0 H THR A 108 20.650 4.718 0.858 1.00 0.00 H new ATOM 0 HA THR A 108 19.739 7.174 2.328 1.00 0.00 H new ATOM 0 HB THR A 108 22.030 8.021 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.517 6.333 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.238 6.767 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.596 7.198 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.953 5.536 3.356 1.00 0.00 H new ATOM 1747 N LEU A 109 19.261 8.478 0.203 1.00 0.00 N ATOM 1748 CA LEU A 109 18.848 9.121 -1.083 1.00 0.00 C ATOM 1749 C LEU A 109 20.059 9.158 -2.014 1.00 0.00 C ATOM 1750 O LEU A 109 19.958 8.863 -3.184 1.00 0.00 O ATOM 1751 CB LEU A 109 18.364 10.553 -0.813 1.00 0.00 C ATOM 1752 CG LEU A 109 17.625 11.116 -2.039 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.535 11.092 -3.266 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.377 10.283 -2.325 1.00 0.00 C ATOM 0 H LEU A 109 19.009 8.991 1.048 1.00 0.00 H new ATOM 0 HA LEU A 109 18.038 8.554 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.702 10.561 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.214 11.190 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 109 17.337 12.145 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.998 11.493 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.420 11.700 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.838 10.066 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.860 10.689 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.666 9.251 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.713 10.314 -1.461 1.00 0.00 H new ATOM 1766 N GLU A 110 21.205 9.515 -1.507 1.00 0.00 N ATOM 1767 CA GLU A 110 22.413 9.559 -2.376 1.00 0.00 C ATOM 1768 C GLU A 110 22.519 8.231 -3.126 1.00 0.00 C ATOM 1769 O GLU A 110 22.767 8.191 -4.315 1.00 0.00 O ATOM 1770 CB GLU A 110 23.660 9.762 -1.514 1.00 0.00 C ATOM 1771 CG GLU A 110 24.909 9.672 -2.393 1.00 0.00 C ATOM 1772 CD GLU A 110 26.139 10.068 -1.573 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.630 9.230 -0.835 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.568 11.204 -1.698 1.00 0.00 O ATOM 0 H GLU A 110 21.357 9.777 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 110 22.334 10.384 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.619 10.733 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.699 9.006 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 110 25.025 8.658 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.807 10.329 -3.257 1.00 0.00 H new ATOM 1781 N ASN A 111 22.323 7.146 -2.432 1.00 0.00 N ATOM 1782 CA ASN A 111 22.399 5.810 -3.082 1.00 0.00 C ATOM 1783 C ASN A 111 21.202 5.624 -4.014 1.00 0.00 C ATOM 1784 O ASN A 111 21.278 4.911 -4.975 1.00 0.00 O ATOM 1785 CB ASN A 111 22.402 4.712 -2.017 1.00 0.00 C ATOM 1786 CG ASN A 111 22.971 3.423 -2.615 1.00 0.00 C ATOM 1787 OD1 ASN A 111 24.172 3.267 -2.718 1.00 0.00 O ATOM 1788 ND2 ASN A 111 22.154 2.488 -3.018 1.00 0.00 N ATOM 0 H ASN A 111 22.112 7.128 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 111 23.320 5.745 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.000 5.023 -1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.389 4.541 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.523 1.626 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.146 2.619 -2.931 1.00 0.00 H new ATOM 1795 N PHE A 112 20.092 6.242 -3.741 1.00 0.00 N ATOM 1796 CA PHE A 112 18.924 6.069 -4.655 1.00 0.00 C ATOM 1797 C PHE A 112 19.260 6.722 -5.995 1.00 0.00 C ATOM 1798 O PHE A 112 18.925 6.216 -7.038 1.00 0.00 O ATOM 1799 CB PHE A 112 17.696 6.751 -4.042 1.00 0.00 C ATOM 1800 CG PHE A 112 16.484 6.528 -4.920 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.281 7.331 -6.050 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.558 5.525 -4.603 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.158 7.131 -6.860 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.434 5.325 -5.415 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.236 6.128 -6.544 1.00 0.00 C ATOM 0 H PHE A 112 19.939 6.852 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 112 18.709 5.010 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.510 6.353 -3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.882 7.819 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.992 8.105 -6.296 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.711 4.905 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.003 7.752 -7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.721 4.552 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.371 5.973 -7.172 1.00 0.00 H new ATOM 1815 N LEU A 113 19.923 7.840 -5.978 1.00 0.00 N ATOM 1816 CA LEU A 113 20.295 8.495 -7.258 1.00 0.00 C ATOM 1817 C LEU A 113 21.408 7.678 -7.930 1.00 0.00 C ATOM 1818 O LEU A 113 21.457 7.555 -9.137 1.00 0.00 O ATOM 1819 CB LEU A 113 20.781 9.919 -6.979 1.00 0.00 C ATOM 1820 CG LEU A 113 19.692 10.692 -6.228 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.317 11.900 -5.526 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.632 11.172 -7.220 1.00 0.00 C ATOM 0 H LEU A 113 20.223 8.328 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 113 19.430 8.541 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.697 9.893 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.020 10.423 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 113 19.228 10.040 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.543 12.451 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.074 11.559 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.780 12.552 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.857 11.722 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.095 11.824 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.187 10.312 -7.721 1.00 0.00 H new ATOM 1834 N GLU A 114 22.305 7.122 -7.152 1.00 0.00 N ATOM 1835 CA GLU A 114 23.419 6.310 -7.730 1.00 0.00 C ATOM 1836 C GLU A 114 22.857 4.996 -8.282 1.00 0.00 C ATOM 1837 O GLU A 114 23.106 4.606 -9.404 1.00 0.00 O ATOM 1838 CB GLU A 114 24.405 5.996 -6.604 1.00 0.00 C ATOM 1839 CG GLU A 114 25.789 5.694 -7.169 1.00 0.00 C ATOM 1840 CD GLU A 114 26.203 6.788 -8.155 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.360 7.918 -7.724 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.354 6.478 -9.325 1.00 0.00 O ATOM 0 H GLU A 114 22.312 7.197 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 114 23.911 6.858 -8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.463 6.841 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.047 5.142 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.515 5.630 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 114 25.783 4.726 -7.669 1.00 0.00 H new ATOM 1849 N ARG A 115 22.101 4.327 -7.468 1.00 0.00 N ATOM 1850 CA ARG A 115 21.478 3.030 -7.847 1.00 0.00 C ATOM 1851 C ARG A 115 20.491 3.256 -8.985 1.00 0.00 C ATOM 1852 O ARG A 115 20.518 2.589 -10.000 1.00 0.00 O ATOM 1853 CB ARG A 115 20.716 2.497 -6.627 1.00 0.00 C ATOM 1854 CG ARG A 115 20.879 0.978 -6.544 1.00 0.00 C ATOM 1855 CD ARG A 115 22.358 0.632 -6.362 1.00 0.00 C ATOM 1856 NE ARG A 115 22.716 -0.509 -7.250 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.849 -1.135 -7.084 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.933 -0.681 -7.650 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.898 -2.214 -6.353 1.00 0.00 N ATOM 0 H ARG A 115 21.880 4.635 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 115 22.243 2.322 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.094 2.964 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.660 2.756 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.297 0.584 -5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.494 0.510 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.976 1.498 -6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.556 0.373 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 115 22.075 -0.801 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.895 0.163 -8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.819 -1.170 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.050 -2.569 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.784 -2.703 -6.224 1.00 0.00 H new ATOM 1873 N LEU A 116 19.622 4.202 -8.809 1.00 0.00 N ATOM 1874 CA LEU A 116 18.614 4.510 -9.854 1.00 0.00 C ATOM 1875 C LEU A 116 19.340 4.807 -11.176 1.00 0.00 C ATOM 1876 O LEU A 116 18.954 4.323 -12.221 1.00 0.00 O ATOM 1877 CB LEU A 116 17.813 5.743 -9.421 1.00 0.00 C ATOM 1878 CG LEU A 116 16.615 5.922 -10.355 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.321 5.710 -9.567 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.631 7.334 -10.942 1.00 0.00 C ATOM 0 H LEU A 116 19.565 4.785 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 116 17.940 3.664 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.472 5.626 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.446 6.630 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 116 16.672 5.194 -11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.466 5.837 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.310 4.703 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.264 6.439 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.777 7.461 -11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.574 8.064 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.554 7.485 -11.503 1.00 0.00 H new ATOM 1892 N LYS A 117 20.394 5.605 -11.149 1.00 0.00 N ATOM 1893 CA LYS A 117 21.117 5.913 -12.418 1.00 0.00 C ATOM 1894 C LYS A 117 21.826 4.659 -12.936 1.00 0.00 C ATOM 1895 O LYS A 117 22.009 4.488 -14.124 1.00 0.00 O ATOM 1896 CB LYS A 117 22.149 7.012 -12.163 1.00 0.00 C ATOM 1897 CG LYS A 117 22.944 7.274 -13.444 1.00 0.00 C ATOM 1898 CD LYS A 117 23.446 8.720 -13.448 1.00 0.00 C ATOM 1899 CE LYS A 117 24.976 8.729 -13.453 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.463 10.131 -13.578 1.00 0.00 N ATOM 0 H LYS A 117 20.773 6.046 -10.311 1.00 0.00 H new ATOM 0 HA LYS A 117 20.398 6.250 -13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.650 7.925 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.822 6.714 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.786 6.585 -13.509 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.317 7.093 -14.317 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.066 9.246 -14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.071 9.249 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.356 8.281 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 117 25.351 8.127 -14.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.503 10.138 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.111 10.543 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.116 10.692 -12.774 1.00 0.00 H new ATOM 1914 N THR A 118 22.232 3.782 -12.059 1.00 0.00 N ATOM 1915 CA THR A 118 22.933 2.547 -12.510 1.00 0.00 C ATOM 1916 C THR A 118 22.024 1.754 -13.451 1.00 0.00 C ATOM 1917 O THR A 118 22.458 1.247 -14.466 1.00 0.00 O ATOM 1918 CB THR A 118 23.284 1.687 -11.293 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.767 2.521 -10.250 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.360 0.671 -11.679 1.00 0.00 C ATOM 0 H THR A 118 22.109 3.867 -11.050 1.00 0.00 H new ATOM 0 HA THR A 118 23.846 2.822 -13.038 1.00 0.00 H new ATOM 0 HB THR A 118 22.395 1.158 -10.951 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.060 3.140 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.610 0.059 -10.813 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.987 0.032 -12.479 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.251 1.197 -12.021 1.00 0.00 H new ATOM 1928 N ILE A 119 20.767 1.636 -13.121 1.00 0.00 N ATOM 1929 CA ILE A 119 19.838 0.870 -13.996 1.00 0.00 C ATOM 1930 C ILE A 119 19.626 1.610 -15.319 1.00 0.00 C ATOM 1931 O ILE A 119 19.742 1.037 -16.379 1.00 0.00 O ATOM 1932 CB ILE A 119 18.506 0.698 -13.293 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.719 -0.043 -11.972 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.552 -0.100 -14.182 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.706 0.960 -10.818 1.00 0.00 C ATOM 0 H ILE A 119 20.344 2.037 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 119 20.273 -0.108 -14.203 1.00 0.00 H new ATOM 0 HB ILE A 119 18.073 1.678 -13.094 1.00 0.00 H new ATOM 0 HG12 ILE A 119 17.936 -0.788 -11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.668 -0.579 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.596 -0.221 -13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.398 0.432 -15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.981 -1.081 -14.387 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.858 0.433 -9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.505 1.688 -10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.746 1.475 -10.795 1.00 0.00 H new ATOM 1947 N MET A 120 19.307 2.873 -15.264 1.00 0.00 N ATOM 1948 CA MET A 120 19.076 3.645 -16.520 1.00 0.00 C ATOM 1949 C MET A 120 20.264 3.511 -17.460 1.00 0.00 C ATOM 1950 O MET A 120 20.099 3.393 -18.649 1.00 0.00 O ATOM 1951 CB MET A 120 18.865 5.115 -16.170 1.00 0.00 C ATOM 1952 CG MET A 120 17.411 5.320 -15.758 1.00 0.00 C ATOM 1953 SD MET A 120 17.321 6.197 -14.182 1.00 0.00 S ATOM 1954 CE MET A 120 15.513 6.270 -14.105 1.00 0.00 C ATOM 0 H MET A 120 19.196 3.406 -14.402 1.00 0.00 H new ATOM 0 HA MET A 120 18.193 3.249 -17.021 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.532 5.409 -15.359 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.107 5.745 -17.026 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.885 5.886 -16.527 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.911 4.355 -15.674 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.188 7.309 -14.163 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.090 5.711 -14.940 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.171 5.834 -13.166 1.00 0.00 H new ATOM 1964 N ARG A 121 21.454 3.526 -16.957 1.00 0.00 N ATOM 1965 CA ARG A 121 22.621 3.382 -17.870 1.00 0.00 C ATOM 1966 C ARG A 121 22.514 2.031 -18.570 1.00 0.00 C ATOM 1967 O ARG A 121 22.885 1.869 -19.715 1.00 0.00 O ATOM 1968 CB ARG A 121 23.908 3.424 -17.054 1.00 0.00 C ATOM 1969 CG ARG A 121 24.732 4.650 -17.454 1.00 0.00 C ATOM 1970 CD ARG A 121 24.211 5.881 -16.710 1.00 0.00 C ATOM 1971 NE ARG A 121 24.289 7.071 -17.603 1.00 0.00 N ATOM 1972 CZ ARG A 121 25.402 7.350 -18.223 1.00 0.00 C ATOM 1973 NH1 ARG A 121 26.294 8.112 -17.651 1.00 0.00 N ATOM 1974 NH2 ARG A 121 25.624 6.869 -19.415 1.00 0.00 N ATOM 0 H ARG A 121 21.676 3.630 -15.967 1.00 0.00 H new ATOM 0 HA ARG A 121 22.631 4.190 -18.602 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.674 3.462 -15.990 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.486 2.515 -17.221 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.784 4.487 -17.218 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.668 4.809 -18.530 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.181 5.718 -16.392 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.800 6.050 -15.808 1.00 0.00 H new ATOM 0 HE ARG A 121 23.472 7.668 -17.730 1.00 0.00 H new ATOM 0 HH11 ARG A 121 26.121 8.489 -16.719 1.00 0.00 H new ATOM 0 HH12 ARG A 121 27.165 8.330 -18.136 1.00 0.00 H new ATOM 0 HH21 ARG A 121 24.927 6.274 -19.863 1.00 0.00 H new ATOM 0 HH22 ARG A 121 26.495 7.088 -19.899 1.00 0.00 H new ATOM 1988 N GLU A 122 22.016 1.058 -17.866 1.00 0.00 N ATOM 1989 CA GLU A 122 21.873 -0.313 -18.440 1.00 0.00 C ATOM 1990 C GLU A 122 20.775 -0.355 -19.513 1.00 0.00 C ATOM 1991 O GLU A 122 20.983 -0.862 -20.597 1.00 0.00 O ATOM 1992 CB GLU A 122 21.480 -1.282 -17.315 1.00 0.00 C ATOM 1993 CG GLU A 122 22.625 -1.462 -16.301 1.00 0.00 C ATOM 1994 CD GLU A 122 22.044 -1.935 -14.968 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.351 -2.941 -14.971 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.300 -1.286 -13.968 1.00 0.00 O ATOM 0 H GLU A 122 21.696 1.152 -16.902 1.00 0.00 H new ATOM 0 HA GLU A 122 22.823 -0.595 -18.894 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.594 -0.907 -16.803 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.215 -2.249 -17.742 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.347 -2.188 -16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.159 -0.521 -16.166 1.00 0.00 H new ATOM 2003 N LYS A 123 19.604 0.143 -19.219 1.00 0.00 N ATOM 2004 CA LYS A 123 18.500 0.088 -20.226 1.00 0.00 C ATOM 2005 C LYS A 123 18.804 1.024 -21.395 1.00 0.00 C ATOM 2006 O LYS A 123 18.469 0.749 -22.531 1.00 0.00 O ATOM 2007 CB LYS A 123 17.188 0.516 -19.563 1.00 0.00 C ATOM 2008 CG LYS A 123 16.013 -0.155 -20.276 1.00 0.00 C ATOM 2009 CD LYS A 123 14.749 0.682 -20.074 1.00 0.00 C ATOM 2010 CE LYS A 123 13.651 -0.192 -19.467 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.197 -1.191 -20.475 1.00 0.00 N ATOM 0 H LYS A 123 19.363 0.583 -18.331 1.00 0.00 H new ATOM 0 HA LYS A 123 18.412 -0.932 -20.601 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.194 0.239 -18.509 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.083 1.600 -19.607 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.229 -0.256 -21.340 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.862 -1.161 -19.884 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.960 1.527 -19.418 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.416 1.093 -21.027 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.026 -0.700 -18.579 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.812 0.427 -19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.134 -2.129 -20.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.262 -0.917 -20.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.878 -1.225 -21.261 1.00 0.00 H new ATOM 2025 N TYR A 124 19.426 2.128 -21.121 1.00 0.00 N ATOM 2026 CA TYR A 124 19.750 3.098 -22.203 1.00 0.00 C ATOM 2027 C TYR A 124 20.844 2.522 -23.105 1.00 0.00 C ATOM 2028 O TYR A 124 20.774 2.612 -24.315 1.00 0.00 O ATOM 2029 CB TYR A 124 20.225 4.419 -21.582 1.00 0.00 C ATOM 2030 CG TYR A 124 20.540 5.406 -22.678 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.848 5.352 -23.895 1.00 0.00 C ATOM 2032 CD2 TYR A 124 21.533 6.370 -22.480 1.00 0.00 C ATOM 2033 CE1 TYR A 124 20.152 6.264 -24.912 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.836 7.284 -23.497 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.146 7.230 -24.714 1.00 0.00 C ATOM 2036 OH TYR A 124 21.445 8.129 -25.717 1.00 0.00 O ATOM 0 H TYR A 124 19.728 2.406 -20.187 1.00 0.00 H new ATOM 0 HA TYR A 124 18.858 3.283 -22.802 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.454 4.822 -20.925 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.109 4.247 -20.968 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.081 4.607 -24.048 1.00 0.00 H new ATOM 0 HD2 TYR A 124 22.067 6.410 -21.542 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.619 6.223 -25.851 1.00 0.00 H new ATOM 0 HE2 TYR A 124 22.601 8.030 -23.343 1.00 0.00 H new ATOM 0 HH TYR A 124 22.157 8.731 -25.415 1.00 0.00 H new ATOM 2046 N SER A 125 21.858 1.934 -22.531 1.00 0.00 N ATOM 2047 CA SER A 125 22.955 1.360 -23.361 1.00 0.00 C ATOM 2048 C SER A 125 22.513 0.023 -23.969 1.00 0.00 C ATOM 2049 O SER A 125 23.278 -0.642 -24.639 1.00 0.00 O ATOM 2050 CB SER A 125 24.190 1.137 -22.487 1.00 0.00 C ATOM 2051 OG SER A 125 25.203 0.500 -23.252 1.00 0.00 O ATOM 0 H SER A 125 21.974 1.826 -21.523 1.00 0.00 H new ATOM 0 HA SER A 125 23.193 2.055 -24.166 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.554 2.090 -22.104 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.932 0.524 -21.624 1.00 0.00 H new ATOM 0 HG SER A 125 24.793 0.010 -23.995 1.00 0.00 H new ATOM 2057 N LYS A 126 21.289 -0.379 -23.746 1.00 0.00 N ATOM 2058 CA LYS A 126 20.817 -1.672 -24.319 1.00 0.00 C ATOM 2059 C LYS A 126 19.338 -1.557 -24.692 1.00 0.00 C ATOM 2060 O LYS A 126 18.529 -2.385 -24.323 1.00 0.00 O ATOM 2061 CB LYS A 126 20.997 -2.784 -23.284 1.00 0.00 C ATOM 2062 CG LYS A 126 21.014 -4.141 -23.989 1.00 0.00 C ATOM 2063 CD LYS A 126 22.073 -5.038 -23.346 1.00 0.00 C ATOM 2064 CE LYS A 126 23.024 -5.560 -24.424 1.00 0.00 C ATOM 2065 NZ LYS A 126 22.297 -6.514 -25.310 1.00 0.00 N ATOM 0 H LYS A 126 20.599 0.131 -23.194 1.00 0.00 H new ATOM 0 HA LYS A 126 21.398 -1.907 -25.211 1.00 0.00 H new ATOM 0 HB2 LYS A 126 21.927 -2.636 -22.734 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.187 -2.751 -22.555 1.00 0.00 H new ATOM 0 HG2 LYS A 126 20.033 -4.611 -23.919 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.229 -4.009 -25.049 1.00 0.00 H new ATOM 0 HD2 LYS A 126 22.630 -4.479 -22.594 1.00 0.00 H new ATOM 0 HD3 LYS A 126 21.595 -5.873 -22.833 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.416 -4.729 -25.011 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.878 -6.055 -23.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 22.963 -6.933 -25.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 21.871 -7.267 -24.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 21.549 -6.008 -25.826 1.00 0.00 H new