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 74 HIS : no HE2:sc= 0.0343 K(o=0.008,f=-3.4) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.0263 K(o=0.008,f=0.62) USER MOD Set 2.1: A 39 THR OG1 : rot 170:sc= -0.542 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= -0.419 USER MOD Set 3.1: A 8 GLN : amide:sc= -1.49! C(o=-5.6!,f=-5.6!) USER MOD Set 3.2: A 124 TYR OH : rot 175:sc= -4.07! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 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 15 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.3!) USER MOD Single : A 16 SER OG : rot 46:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 89:sc= 0.599 USER MOD Single : A 20 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.4!) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 0.318 (180deg=0.191) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 25 THR OG1 : rot -161:sc= -0.451! USER MOD Single : A 28 THR OG1 : rot 48:sc= 0.0275 USER MOD Single : A 30 THR OG1 : rot 174:sc= -4.64! USER MOD Single : A 36 SER OG : rot 180:sc= -1.12! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc=-0.00745 X(o=-0.0074,f=-0.0074) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -140:sc= 0.0396 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 54 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.4!) USER MOD Single : A 56 TYR OH : rot -178:sc= 0.532 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 59 HIS : no HD1:sc= -5.6! K(o=-5.6!,f=-2.8) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.021 (180deg=-0.399) USER MOD Single : A 63 THR OG1 : rot 29:sc= 0.34 USER MOD Single : A 69 THR OG1 : rot 87:sc= 0.973 USER MOD Single : A 71 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.85) USER MOD Single : A 72 GLN : amide:sc= -9.68! C(o=-9.7!,f=-10!) USER MOD Single : A 76 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-6.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -15.2! C(o=-15!,f=-17!) USER MOD Single : A 97 ASN : amide:sc= -6.03! C(o=-6!,f=-5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00908 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 120 MET CE :methyl -132:sc= -1.3 (180deg=-7.65!) USER MOD Single : A 123 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.266) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 14.250 5.321 -26.931 1.00 0.00 N ATOM 53 CA ASP A 4 13.473 6.553 -27.238 1.00 0.00 C ATOM 54 C ASP A 4 14.213 7.785 -26.718 1.00 0.00 C ATOM 55 O ASP A 4 15.111 7.695 -25.904 1.00 0.00 O ATOM 56 CB ASP A 4 12.104 6.478 -26.565 1.00 0.00 C ATOM 57 CG ASP A 4 11.656 5.017 -26.455 1.00 0.00 C ATOM 58 OD1 ASP A 4 12.343 4.256 -25.793 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.636 4.685 -27.036 1.00 0.00 O ATOM 0 HA ASP A 4 13.353 6.630 -28.319 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.151 6.928 -25.574 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.375 7.049 -27.140 1.00 0.00 H new ATOM 64 N ILE A 5 13.831 8.934 -27.189 1.00 0.00 N ATOM 65 CA ILE A 5 14.483 10.199 -26.743 1.00 0.00 C ATOM 66 C ILE A 5 14.087 10.516 -25.295 1.00 0.00 C ATOM 67 O ILE A 5 14.819 11.158 -24.571 1.00 0.00 O ATOM 68 CB ILE A 5 14.042 11.346 -27.657 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.733 11.206 -29.015 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.431 12.686 -27.027 1.00 0.00 C ATOM 71 CD1 ILE A 5 16.250 11.278 -28.825 1.00 0.00 C ATOM 0 H ILE A 5 13.085 9.056 -27.874 1.00 0.00 H new ATOM 0 HA ILE A 5 15.565 10.081 -26.796 1.00 0.00 H new ATOM 0 HB ILE A 5 12.961 11.308 -27.788 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.458 10.259 -29.479 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.402 11.998 -29.687 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.116 13.500 -27.680 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.942 12.788 -26.058 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.512 12.725 -26.894 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.743 11.178 -29.792 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.516 12.237 -28.379 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.573 10.470 -28.168 1.00 0.00 H new ATOM 83 N THR A 6 12.923 10.097 -24.878 1.00 0.00 N ATOM 84 CA THR A 6 12.467 10.400 -23.492 1.00 0.00 C ATOM 85 C THR A 6 13.556 10.037 -22.481 1.00 0.00 C ATOM 86 O THR A 6 13.903 10.825 -21.627 1.00 0.00 O ATOM 87 CB THR A 6 11.194 9.588 -23.201 1.00 0.00 C ATOM 88 OG1 THR A 6 10.075 10.246 -23.777 1.00 0.00 O ATOM 89 CG2 THR A 6 10.981 9.454 -21.689 1.00 0.00 C ATOM 0 H THR A 6 12.266 9.556 -25.440 1.00 0.00 H new ATOM 0 HA THR A 6 12.258 11.466 -23.404 1.00 0.00 H new ATOM 0 HB THR A 6 11.303 8.593 -23.632 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.262 9.730 -23.595 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.076 8.877 -21.499 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.836 8.945 -21.245 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.879 10.445 -21.247 1.00 0.00 H new ATOM 97 N LEU A 7 14.082 8.849 -22.554 1.00 0.00 N ATOM 98 CA LEU A 7 15.121 8.442 -21.574 1.00 0.00 C ATOM 99 C LEU A 7 16.424 9.207 -21.795 1.00 0.00 C ATOM 100 O LEU A 7 16.983 9.754 -20.866 1.00 0.00 O ATOM 101 CB LEU A 7 15.400 6.930 -21.629 1.00 0.00 C ATOM 102 CG LEU A 7 15.491 6.350 -23.049 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.187 4.994 -22.952 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.092 6.123 -23.632 1.00 0.00 C ATOM 0 H LEU A 7 13.838 8.144 -23.249 1.00 0.00 H new ATOM 0 HA LEU A 7 14.728 8.686 -20.587 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.335 6.727 -21.107 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.612 6.408 -21.087 1.00 0.00 H new ATOM 0 HG LEU A 7 16.035 7.044 -23.689 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.268 4.554 -23.946 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.184 5.126 -22.532 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.607 4.332 -22.309 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.179 5.712 -24.638 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.544 5.424 -23.001 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.557 7.072 -23.673 1.00 0.00 H new ATOM 116 N GLN A 8 16.928 9.250 -22.990 1.00 0.00 N ATOM 117 CA GLN A 8 18.205 9.987 -23.199 1.00 0.00 C ATOM 118 C GLN A 8 18.101 11.355 -22.534 1.00 0.00 C ATOM 119 O GLN A 8 19.041 11.860 -21.953 1.00 0.00 O ATOM 120 CB GLN A 8 18.460 10.165 -24.696 1.00 0.00 C ATOM 121 CG GLN A 8 19.117 8.903 -25.256 1.00 0.00 C ATOM 122 CD GLN A 8 18.801 8.779 -26.747 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.939 8.015 -27.136 1.00 0.00 O ATOM 124 NE2 GLN A 8 19.467 9.500 -27.607 1.00 0.00 N ATOM 0 H GLN A 8 16.523 8.817 -23.820 1.00 0.00 H new ATOM 0 HA GLN A 8 19.029 9.424 -22.762 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.521 10.360 -25.215 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.103 11.028 -24.866 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.196 8.945 -25.105 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.754 8.024 -24.723 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.191 10.142 -27.283 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.264 9.422 -28.604 1.00 0.00 H new ATOM 133 N GLU A 9 16.955 11.941 -22.611 1.00 0.00 N ATOM 134 CA GLU A 9 16.731 13.278 -21.984 1.00 0.00 C ATOM 135 C GLU A 9 16.697 13.148 -20.454 1.00 0.00 C ATOM 136 O GLU A 9 17.280 13.940 -19.743 1.00 0.00 O ATOM 137 CB GLU A 9 15.402 13.852 -22.476 1.00 0.00 C ATOM 138 CG GLU A 9 15.656 14.761 -23.681 1.00 0.00 C ATOM 139 CD GLU A 9 14.321 15.133 -24.329 1.00 0.00 C ATOM 140 OE1 GLU A 9 13.404 15.472 -23.600 1.00 0.00 O ATOM 141 OE2 GLU A 9 14.238 15.071 -25.545 1.00 0.00 O ATOM 0 H GLU A 9 16.142 11.552 -23.088 1.00 0.00 H new ATOM 0 HA GLU A 9 17.547 13.944 -22.264 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.724 13.044 -22.752 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.918 14.415 -21.678 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.183 15.662 -23.366 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.295 14.254 -24.404 1.00 0.00 H new ATOM 148 N ILE A 10 15.994 12.169 -19.944 1.00 0.00 N ATOM 149 CA ILE A 10 15.894 11.994 -18.469 1.00 0.00 C ATOM 150 C ILE A 10 17.279 11.937 -17.832 1.00 0.00 C ATOM 151 O ILE A 10 17.549 12.622 -16.874 1.00 0.00 O ATOM 152 CB ILE A 10 15.163 10.690 -18.172 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.763 10.750 -18.817 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.074 10.498 -16.650 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.684 10.283 -17.841 1.00 0.00 C ATOM 0 H ILE A 10 15.482 11.479 -20.494 1.00 0.00 H new ATOM 0 HA ILE A 10 15.351 12.843 -18.054 1.00 0.00 H new ATOM 0 HB ILE A 10 15.701 9.839 -18.590 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.551 11.770 -19.137 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.744 10.125 -19.710 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.552 9.567 -16.431 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.079 10.459 -16.229 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.528 11.332 -16.209 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.708 10.337 -18.324 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.885 9.254 -17.542 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.688 10.925 -16.960 1.00 0.00 H new ATOM 167 N ILE A 11 18.156 11.121 -18.339 1.00 0.00 N ATOM 168 CA ILE A 11 19.508 11.027 -17.721 1.00 0.00 C ATOM 169 C ILE A 11 20.077 12.432 -17.531 1.00 0.00 C ATOM 170 O ILE A 11 20.837 12.682 -16.618 1.00 0.00 O ATOM 171 CB ILE A 11 20.432 10.201 -18.619 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.811 8.816 -18.840 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.797 10.051 -17.944 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.862 7.864 -19.415 1.00 0.00 C ATOM 0 H ILE A 11 18.000 10.519 -19.147 1.00 0.00 H new ATOM 0 HA ILE A 11 19.432 10.537 -16.750 1.00 0.00 H new ATOM 0 HB ILE A 11 20.559 10.702 -19.579 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.428 8.424 -17.898 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.964 8.892 -19.521 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.456 9.463 -18.583 1.00 0.00 H new ATOM 0 HG22 ILE A 11 22.233 11.037 -17.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.675 9.546 -16.986 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.417 6.881 -19.570 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.224 8.253 -20.367 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.696 7.778 -18.718 1.00 0.00 H new ATOM 186 N LYS A 12 19.708 13.355 -18.368 1.00 0.00 N ATOM 187 CA LYS A 12 20.222 14.742 -18.205 1.00 0.00 C ATOM 188 C LYS A 12 19.719 15.306 -16.871 1.00 0.00 C ATOM 189 O LYS A 12 20.466 15.888 -16.108 1.00 0.00 O ATOM 190 CB LYS A 12 19.711 15.611 -19.357 1.00 0.00 C ATOM 191 CG LYS A 12 20.872 16.427 -19.932 1.00 0.00 C ATOM 192 CD LYS A 12 21.377 17.412 -18.877 1.00 0.00 C ATOM 193 CE LYS A 12 22.901 17.521 -18.969 1.00 0.00 C ATOM 194 NZ LYS A 12 23.417 18.274 -17.790 1.00 0.00 N ATOM 0 H LYS A 12 19.076 13.212 -19.155 1.00 0.00 H new ATOM 0 HA LYS A 12 21.312 14.738 -18.214 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.273 14.984 -20.134 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.924 16.277 -19.003 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.679 15.763 -20.240 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.546 16.966 -20.821 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.922 18.390 -19.030 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.085 17.077 -17.882 1.00 0.00 H new ATOM 0 HE2 LYS A 12 23.346 16.527 -19.002 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.185 18.028 -19.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.452 18.349 -17.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.001 19.227 -17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.158 17.772 -16.917 1.00 0.00 H new ATOM 208 N THR A 13 18.453 15.140 -16.586 1.00 0.00 N ATOM 209 CA THR A 13 17.885 15.664 -15.308 1.00 0.00 C ATOM 210 C THR A 13 18.405 14.848 -14.116 1.00 0.00 C ATOM 211 O THR A 13 18.878 15.395 -13.139 1.00 0.00 O ATOM 212 CB THR A 13 16.354 15.572 -15.369 1.00 0.00 C ATOM 213 OG1 THR A 13 15.855 16.609 -16.203 1.00 0.00 O ATOM 214 CG2 THR A 13 15.759 15.718 -13.965 1.00 0.00 C ATOM 0 H THR A 13 17.784 14.660 -17.188 1.00 0.00 H new ATOM 0 HA THR A 13 18.192 16.702 -15.177 1.00 0.00 H new ATOM 0 HB THR A 13 16.071 14.601 -15.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.878 16.553 -16.246 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.673 15.651 -14.021 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.139 14.922 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.042 16.685 -13.549 1.00 0.00 H new ATOM 222 N LEU A 14 18.316 13.548 -14.183 1.00 0.00 N ATOM 223 CA LEU A 14 18.794 12.705 -13.056 1.00 0.00 C ATOM 224 C LEU A 14 20.276 13.004 -12.801 1.00 0.00 C ATOM 225 O LEU A 14 20.762 12.902 -11.693 1.00 0.00 O ATOM 226 CB LEU A 14 18.547 11.222 -13.420 1.00 0.00 C ATOM 227 CG LEU A 14 19.811 10.367 -13.257 1.00 0.00 C ATOM 228 CD1 LEU A 14 19.431 8.888 -13.400 1.00 0.00 C ATOM 229 CD2 LEU A 14 20.824 10.738 -14.342 1.00 0.00 C ATOM 0 H LEU A 14 17.931 13.033 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 14 18.254 12.924 -12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.755 10.821 -12.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.196 11.156 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 14 20.253 10.545 -12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.322 8.271 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.705 8.623 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.995 8.718 -14.385 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.721 10.130 -14.225 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.388 10.556 -15.324 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.085 11.792 -14.250 1.00 0.00 H new ATOM 241 N ASN A 15 20.993 13.383 -13.823 1.00 0.00 N ATOM 242 CA ASN A 15 22.439 13.703 -13.649 1.00 0.00 C ATOM 243 C ASN A 15 22.584 15.020 -12.858 1.00 0.00 C ATOM 244 O ASN A 15 23.344 15.093 -11.913 1.00 0.00 O ATOM 245 CB ASN A 15 23.091 13.867 -15.022 1.00 0.00 C ATOM 246 CG ASN A 15 24.023 12.683 -15.290 1.00 0.00 C ATOM 247 OD1 ASN A 15 23.716 11.822 -16.090 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.157 12.603 -14.649 1.00 0.00 N ATOM 0 H ASN A 15 20.639 13.485 -14.774 1.00 0.00 H new ATOM 0 HA ASN A 15 22.926 12.894 -13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.325 13.923 -15.796 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.652 14.801 -15.061 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.785 11.818 -14.820 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.415 13.326 -13.977 1.00 0.00 H new ATOM 255 N SER A 16 21.877 16.076 -13.238 1.00 0.00 N ATOM 256 CA SER A 16 22.013 17.362 -12.494 1.00 0.00 C ATOM 257 C SER A 16 21.754 17.141 -11.002 1.00 0.00 C ATOM 258 O SER A 16 22.492 17.617 -10.161 1.00 0.00 O ATOM 259 CB SER A 16 21.002 18.372 -13.041 1.00 0.00 C ATOM 260 OG SER A 16 19.906 17.679 -13.619 1.00 0.00 O ATOM 0 H SER A 16 21.224 16.091 -14.021 1.00 0.00 H new ATOM 0 HA SER A 16 23.026 17.743 -12.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.653 19.023 -12.240 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.476 19.010 -13.786 1.00 0.00 H new ATOM 0 HG SER A 16 19.615 16.964 -13.015 1.00 0.00 H new ATOM 266 N LEU A 17 20.710 16.437 -10.662 1.00 0.00 N ATOM 267 CA LEU A 17 20.412 16.206 -9.218 1.00 0.00 C ATOM 268 C LEU A 17 21.666 15.698 -8.501 1.00 0.00 C ATOM 269 O LEU A 17 21.875 15.968 -7.336 1.00 0.00 O ATOM 270 CB LEU A 17 19.288 15.173 -9.084 1.00 0.00 C ATOM 271 CG LEU A 17 18.061 15.651 -9.866 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.849 14.776 -9.518 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.763 17.105 -9.499 1.00 0.00 C ATOM 0 H LEU A 17 20.053 16.013 -11.317 1.00 0.00 H new ATOM 0 HA LEU A 17 20.097 17.145 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.620 14.207 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.032 15.033 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 17 18.262 15.576 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.979 15.120 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.061 13.739 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.645 14.846 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.890 17.449 -10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.565 17.177 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.622 17.727 -9.752 1.00 0.00 H new ATOM 285 N THR A 18 22.506 14.965 -9.183 1.00 0.00 N ATOM 286 CA THR A 18 23.740 14.450 -8.526 1.00 0.00 C ATOM 287 C THR A 18 24.590 15.621 -8.056 1.00 0.00 C ATOM 288 O THR A 18 25.122 15.626 -6.963 1.00 0.00 O ATOM 289 CB THR A 18 24.537 13.597 -9.517 1.00 0.00 C ATOM 290 OG1 THR A 18 23.642 12.812 -10.293 1.00 0.00 O ATOM 291 CG2 THR A 18 25.491 12.679 -8.750 1.00 0.00 C ATOM 0 H THR A 18 22.391 14.702 -10.162 1.00 0.00 H new ATOM 0 HA THR A 18 23.464 13.836 -7.669 1.00 0.00 H new ATOM 0 HB THR A 18 25.113 14.248 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.372 13.315 -11.090 1.00 0.00 H new ATOM 0 HG21 THR A 18 26.058 12.072 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.178 13.282 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 18 24.918 12.028 -8.090 1.00 0.00 H new ATOM 299 N GLU A 19 24.707 16.613 -8.873 1.00 0.00 N ATOM 300 CA GLU A 19 25.507 17.809 -8.491 1.00 0.00 C ATOM 301 C GLU A 19 24.962 18.356 -7.182 1.00 0.00 C ATOM 302 O GLU A 19 25.670 18.924 -6.376 1.00 0.00 O ATOM 303 CB GLU A 19 25.406 18.876 -9.586 1.00 0.00 C ATOM 304 CG GLU A 19 26.812 19.296 -10.019 1.00 0.00 C ATOM 305 CD GLU A 19 27.103 18.743 -11.416 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.156 18.470 -12.134 1.00 0.00 O ATOM 307 OE2 GLU A 19 28.270 18.600 -11.743 1.00 0.00 O ATOM 0 H GLU A 19 24.282 16.655 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 19 26.555 17.533 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.852 18.485 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.854 19.740 -9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.893 20.383 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.549 18.923 -9.308 1.00 0.00 H new ATOM 314 N GLN A 20 23.702 18.159 -6.972 1.00 0.00 N ATOM 315 CA GLN A 20 23.057 18.629 -5.716 1.00 0.00 C ATOM 316 C GLN A 20 22.698 17.409 -4.866 1.00 0.00 C ATOM 317 O GLN A 20 21.695 16.760 -5.090 1.00 0.00 O ATOM 318 CB GLN A 20 21.787 19.413 -6.051 1.00 0.00 C ATOM 319 CG GLN A 20 22.166 20.776 -6.633 1.00 0.00 C ATOM 320 CD GLN A 20 20.920 21.658 -6.725 1.00 0.00 C ATOM 321 OE1 GLN A 20 20.442 22.160 -5.727 1.00 0.00 O ATOM 322 NE2 GLN A 20 20.368 21.869 -7.888 1.00 0.00 N ATOM 0 H GLN A 20 23.076 17.685 -7.624 1.00 0.00 H new ATOM 0 HA GLN A 20 23.739 19.278 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.181 18.856 -6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.181 19.544 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.917 21.255 -6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.609 20.651 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.768 21.448 -8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.536 22.455 -7.959 1.00 0.00 H new ATOM 331 N LYS A 21 23.512 17.085 -3.900 1.00 0.00 N ATOM 332 CA LYS A 21 23.220 15.901 -3.048 1.00 0.00 C ATOM 333 C LYS A 21 23.840 16.110 -1.669 1.00 0.00 C ATOM 334 O LYS A 21 24.757 15.414 -1.275 1.00 0.00 O ATOM 335 CB LYS A 21 23.816 14.650 -3.698 1.00 0.00 C ATOM 336 CG LYS A 21 25.321 14.850 -3.896 1.00 0.00 C ATOM 337 CD LYS A 21 26.091 13.849 -3.031 1.00 0.00 C ATOM 338 CE LYS A 21 27.330 13.367 -3.786 1.00 0.00 C ATOM 339 NZ LYS A 21 28.499 13.351 -2.863 1.00 0.00 N ATOM 0 H LYS A 21 24.367 17.590 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 21 22.142 15.775 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.633 13.778 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.334 14.460 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 25.581 14.714 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 21 25.601 15.869 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 21 26.384 14.315 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.452 13.002 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 21 27.158 12.369 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 21 27.531 14.023 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 29.243 12.740 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 28.867 14.317 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 28.204 12.985 -1.935 1.00 0.00 H new ATOM 353 N THR A 22 23.355 17.070 -0.934 1.00 0.00 N ATOM 354 CA THR A 22 23.925 17.330 0.420 1.00 0.00 C ATOM 355 C THR A 22 22.805 17.612 1.426 1.00 0.00 C ATOM 356 O THR A 22 22.488 16.788 2.259 1.00 0.00 O ATOM 357 CB THR A 22 24.865 18.538 0.356 1.00 0.00 C ATOM 358 OG1 THR A 22 24.878 19.191 1.618 1.00 0.00 O ATOM 359 CG2 THR A 22 24.384 19.513 -0.719 1.00 0.00 C ATOM 0 H THR A 22 22.590 17.686 -1.210 1.00 0.00 H new ATOM 0 HA THR A 22 24.477 16.448 0.743 1.00 0.00 H new ATOM 0 HB THR A 22 25.871 18.200 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.480 19.963 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.056 20.370 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.375 19.012 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.377 19.853 -0.477 1.00 0.00 H new ATOM 367 N LEU A 23 22.214 18.777 1.373 1.00 0.00 N ATOM 368 CA LEU A 23 21.135 19.109 2.339 1.00 0.00 C ATOM 369 C LEU A 23 19.817 18.494 1.892 1.00 0.00 C ATOM 370 O LEU A 23 19.419 17.436 2.338 1.00 0.00 O ATOM 371 CB LEU A 23 20.994 20.632 2.430 1.00 0.00 C ATOM 372 CG LEU A 23 22.273 21.225 3.028 1.00 0.00 C ATOM 373 CD1 LEU A 23 23.034 21.991 1.944 1.00 0.00 C ATOM 374 CD2 LEU A 23 21.912 22.179 4.168 1.00 0.00 C ATOM 0 H LEU A 23 22.435 19.511 0.700 1.00 0.00 H new ATOM 0 HA LEU A 23 21.392 18.704 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 23 20.813 21.052 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 23 20.135 20.893 3.048 1.00 0.00 H new ATOM 0 HG LEU A 23 22.899 20.421 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 23.945 22.414 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 23.293 21.311 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 23 22.407 22.795 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 23 22.823 22.600 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.285 22.984 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 23 21.370 21.634 4.941 1.00 0.00 H new ATOM 386 N CYS A 24 19.142 19.165 1.030 1.00 0.00 N ATOM 387 CA CYS A 24 17.826 18.661 0.537 1.00 0.00 C ATOM 388 C CYS A 24 17.972 17.226 0.024 1.00 0.00 C ATOM 389 O CYS A 24 17.229 16.345 0.407 1.00 0.00 O ATOM 390 CB CYS A 24 17.319 19.553 -0.596 1.00 0.00 C ATOM 391 SG CYS A 24 17.146 21.252 0.004 1.00 0.00 S ATOM 0 H CYS A 24 19.438 20.056 0.631 1.00 0.00 H new ATOM 0 HA CYS A 24 17.113 18.679 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 24 18.013 19.522 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.360 19.186 -0.961 1.00 0.00 H new ATOM 396 N THR A 25 18.916 16.979 -0.840 1.00 0.00 N ATOM 397 CA THR A 25 19.097 15.595 -1.365 1.00 0.00 C ATOM 398 C THR A 25 19.955 14.801 -0.379 1.00 0.00 C ATOM 399 O THR A 25 20.105 15.182 0.766 1.00 0.00 O ATOM 400 CB THR A 25 19.789 15.651 -2.729 1.00 0.00 C ATOM 401 OG1 THR A 25 20.389 16.929 -2.901 1.00 0.00 O ATOM 402 CG2 THR A 25 18.763 15.415 -3.835 1.00 0.00 C ATOM 0 H THR A 25 19.569 17.672 -1.205 1.00 0.00 H new ATOM 0 HA THR A 25 18.127 15.111 -1.480 1.00 0.00 H new ATOM 0 HB THR A 25 20.556 14.878 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 25 20.562 17.084 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.258 15.455 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 25 18.304 14.435 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.994 16.186 -3.788 1.00 0.00 H new ATOM 410 N GLU A 26 20.513 13.698 -0.796 1.00 0.00 N ATOM 411 CA GLU A 26 21.343 12.898 0.145 1.00 0.00 C ATOM 412 C GLU A 26 20.510 12.610 1.392 1.00 0.00 C ATOM 413 O GLU A 26 21.028 12.331 2.454 1.00 0.00 O ATOM 414 CB GLU A 26 22.591 13.694 0.533 1.00 0.00 C ATOM 415 CG GLU A 26 23.422 12.890 1.536 1.00 0.00 C ATOM 416 CD GLU A 26 23.269 13.498 2.931 1.00 0.00 C ATOM 417 OE1 GLU A 26 22.348 14.276 3.119 1.00 0.00 O ATOM 418 OE2 GLU A 26 24.076 13.176 3.789 1.00 0.00 O ATOM 0 H GLU A 26 20.431 13.319 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 26 21.652 11.964 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.185 13.913 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.303 14.651 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.096 11.850 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.471 12.893 1.240 1.00 0.00 H new ATOM 425 N LEU A 27 19.213 12.686 1.263 1.00 0.00 N ATOM 426 CA LEU A 27 18.324 12.433 2.427 1.00 0.00 C ATOM 427 C LEU A 27 17.907 10.963 2.440 1.00 0.00 C ATOM 428 O LEU A 27 17.785 10.328 1.413 1.00 0.00 O ATOM 429 CB LEU A 27 17.092 13.321 2.303 1.00 0.00 C ATOM 430 CG LEU A 27 17.474 14.773 2.611 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.216 15.647 2.653 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.182 14.840 3.965 1.00 0.00 C ATOM 0 H LEU A 27 18.730 12.914 0.394 1.00 0.00 H new ATOM 0 HA LEU A 27 18.848 12.660 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.678 13.248 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.317 12.984 2.992 1.00 0.00 H new ATOM 0 HG LEU A 27 18.140 15.139 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.496 16.677 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.712 15.606 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.544 15.280 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.453 15.873 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.515 14.468 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.083 14.227 3.935 1.00 0.00 H new ATOM 444 N THR A 28 17.698 10.420 3.601 1.00 0.00 N ATOM 445 CA THR A 28 17.309 8.984 3.701 1.00 0.00 C ATOM 446 C THR A 28 16.089 8.685 2.826 1.00 0.00 C ATOM 447 O THR A 28 15.032 9.259 2.996 1.00 0.00 O ATOM 448 CB THR A 28 16.979 8.648 5.156 1.00 0.00 C ATOM 449 OG1 THR A 28 16.298 9.744 5.751 1.00 0.00 O ATOM 450 CG2 THR A 28 18.272 8.372 5.926 1.00 0.00 C ATOM 0 H THR A 28 17.779 10.909 4.493 1.00 0.00 H new ATOM 0 HA THR A 28 18.144 8.375 3.354 1.00 0.00 H new ATOM 0 HB THR A 28 16.344 7.763 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.583 10.048 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.034 8.133 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.794 7.531 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.910 9.255 5.895 1.00 0.00 H new ATOM 458 N VAL A 29 16.224 7.762 1.908 1.00 0.00 N ATOM 459 CA VAL A 29 15.066 7.393 1.042 1.00 0.00 C ATOM 460 C VAL A 29 14.908 5.872 1.069 1.00 0.00 C ATOM 461 O VAL A 29 15.863 5.145 1.264 1.00 0.00 O ATOM 462 CB VAL A 29 15.295 7.857 -0.403 1.00 0.00 C ATOM 463 CG1 VAL A 29 15.356 9.383 -0.464 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.604 7.293 -0.936 1.00 0.00 C ATOM 0 H VAL A 29 17.086 7.249 1.722 1.00 0.00 H new ATOM 0 HA VAL A 29 14.166 7.880 1.418 1.00 0.00 H new ATOM 0 HB VAL A 29 14.466 7.497 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.519 9.700 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.417 9.800 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.176 9.740 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.754 7.630 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.430 7.641 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.567 6.204 -0.913 1.00 0.00 H new ATOM 474 N THR A 30 13.715 5.380 0.883 1.00 0.00 N ATOM 475 CA THR A 30 13.514 3.900 0.909 1.00 0.00 C ATOM 476 C THR A 30 14.468 3.241 -0.088 1.00 0.00 C ATOM 477 O THR A 30 14.447 3.529 -1.269 1.00 0.00 O ATOM 478 CB THR A 30 12.066 3.564 0.534 1.00 0.00 C ATOM 479 OG1 THR A 30 11.241 4.695 0.776 1.00 0.00 O ATOM 480 CG2 THR A 30 11.580 2.387 1.382 1.00 0.00 C ATOM 0 H THR A 30 12.874 5.932 0.715 1.00 0.00 H new ATOM 0 HA THR A 30 13.718 3.526 1.912 1.00 0.00 H new ATOM 0 HB THR A 30 12.016 3.296 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.336 4.516 0.447 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.550 2.147 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.214 1.520 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.629 2.654 2.438 1.00 0.00 H new ATOM 488 N ASP A 31 15.313 2.360 0.378 1.00 0.00 N ATOM 489 CA ASP A 31 16.275 1.686 -0.540 1.00 0.00 C ATOM 490 C ASP A 31 15.536 0.655 -1.398 1.00 0.00 C ATOM 491 O ASP A 31 15.338 -0.474 -0.995 1.00 0.00 O ATOM 492 CB ASP A 31 17.356 0.982 0.284 1.00 0.00 C ATOM 493 CG ASP A 31 16.695 0.097 1.342 1.00 0.00 C ATOM 494 OD1 ASP A 31 16.391 0.606 2.407 1.00 0.00 O ATOM 495 OD2 ASP A 31 16.506 -1.078 1.068 1.00 0.00 O ATOM 0 H ASP A 31 15.378 2.078 1.356 1.00 0.00 H new ATOM 0 HA ASP A 31 16.736 2.430 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.989 0.378 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.001 1.719 0.762 1.00 0.00 H new ATOM 500 N ILE A 32 15.129 1.036 -2.577 1.00 0.00 N ATOM 501 CA ILE A 32 14.402 0.076 -3.466 1.00 0.00 C ATOM 502 C ILE A 32 15.406 -0.775 -4.248 1.00 0.00 C ATOM 503 O ILE A 32 15.199 -1.082 -5.406 1.00 0.00 O ATOM 504 CB ILE A 32 13.543 0.866 -4.466 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.463 1.578 -5.462 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.713 1.904 -3.712 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.150 1.102 -6.882 1.00 0.00 C ATOM 0 H ILE A 32 15.266 1.969 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 32 13.774 -0.571 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 32 12.878 0.186 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.326 2.657 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.506 1.372 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.103 2.466 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.065 1.400 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.378 2.587 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.806 1.610 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.309 0.026 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.112 1.331 -7.122 1.00 0.00 H new ATOM 519 N PHE A 33 16.498 -1.147 -3.642 1.00 0.00 N ATOM 520 CA PHE A 33 17.507 -1.963 -4.376 1.00 0.00 C ATOM 521 C PHE A 33 18.038 -3.095 -3.477 1.00 0.00 C ATOM 522 O PHE A 33 19.202 -3.439 -3.540 1.00 0.00 O ATOM 523 CB PHE A 33 18.665 -1.053 -4.786 1.00 0.00 C ATOM 524 CG PHE A 33 18.182 -0.091 -5.848 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.085 -0.514 -7.179 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.828 1.218 -5.503 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.635 0.371 -8.164 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.377 2.106 -6.490 1.00 0.00 C ATOM 529 CZ PHE A 33 17.280 1.682 -7.821 1.00 0.00 C ATOM 0 H PHE A 33 16.736 -0.924 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 33 17.043 -2.407 -5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.037 -0.504 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.495 -1.648 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.358 -1.524 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.902 1.544 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.561 0.043 -9.190 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.105 3.117 -6.224 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.932 2.365 -8.582 1.00 0.00 H new ATOM 539 N ALA A 34 17.209 -3.685 -2.641 1.00 0.00 N ATOM 540 CA ALA A 34 17.708 -4.783 -1.766 1.00 0.00 C ATOM 541 C ALA A 34 16.611 -5.836 -1.602 1.00 0.00 C ATOM 542 O ALA A 34 16.155 -6.106 -0.508 1.00 0.00 O ATOM 543 CB ALA A 34 18.078 -4.214 -0.396 1.00 0.00 C ATOM 0 H ALA A 34 16.222 -3.452 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 34 18.588 -5.240 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.443 -5.017 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.857 -3.460 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.198 -3.759 0.059 1.00 0.00 H new ATOM 549 N ALA A 35 16.181 -6.435 -2.680 1.00 0.00 N ATOM 550 CA ALA A 35 15.113 -7.468 -2.580 1.00 0.00 C ATOM 551 C ALA A 35 14.717 -7.921 -3.985 1.00 0.00 C ATOM 552 O ALA A 35 13.753 -7.449 -4.553 1.00 0.00 O ATOM 553 CB ALA A 35 13.894 -6.876 -1.871 1.00 0.00 C ATOM 0 H ALA A 35 16.523 -6.253 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 35 15.482 -8.321 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.113 -7.632 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.178 -6.550 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.522 -6.023 -2.439 1.00 0.00 H new ATOM 559 N SER A 36 15.459 -8.831 -4.553 1.00 0.00 N ATOM 560 CA SER A 36 15.128 -9.312 -5.921 1.00 0.00 C ATOM 561 C SER A 36 15.238 -8.147 -6.907 1.00 0.00 C ATOM 562 O SER A 36 14.374 -7.937 -7.736 1.00 0.00 O ATOM 563 CB SER A 36 13.700 -9.864 -5.941 1.00 0.00 C ATOM 564 OG SER A 36 13.222 -9.983 -4.608 1.00 0.00 O ATOM 0 H SER A 36 16.280 -9.262 -4.128 1.00 0.00 H new ATOM 0 HA SER A 36 15.823 -10.101 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.051 -9.203 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.681 -10.836 -6.434 1.00 0.00 H new ATOM 0 HG SER A 36 12.307 -10.335 -4.619 1.00 0.00 H new ATOM 570 N LYS A 37 16.298 -7.387 -6.826 1.00 0.00 N ATOM 571 CA LYS A 37 16.465 -6.237 -7.760 1.00 0.00 C ATOM 572 C LYS A 37 16.892 -6.750 -9.137 1.00 0.00 C ATOM 573 O LYS A 37 17.118 -5.983 -10.053 1.00 0.00 O ATOM 574 CB LYS A 37 17.530 -5.284 -7.212 1.00 0.00 C ATOM 575 CG LYS A 37 17.931 -4.283 -8.299 1.00 0.00 C ATOM 576 CD LYS A 37 19.166 -4.800 -9.040 1.00 0.00 C ATOM 577 CE LYS A 37 20.413 -4.558 -8.187 1.00 0.00 C ATOM 578 NZ LYS A 37 21.628 -4.930 -8.965 1.00 0.00 N ATOM 0 H LYS A 37 17.055 -7.513 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 37 15.518 -5.706 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.145 -4.755 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.403 -5.848 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.107 -4.141 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.142 -3.311 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.058 -5.864 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.265 -4.294 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.465 -3.511 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.360 -5.147 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 22.475 -4.765 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.578 -5.935 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.680 -4.349 -9.826 1.00 0.00 H new ATOM 592 N ASN A 38 17.002 -8.038 -9.292 1.00 0.00 N ATOM 593 CA ASN A 38 17.410 -8.601 -10.610 1.00 0.00 C ATOM 594 C ASN A 38 16.188 -8.692 -11.528 1.00 0.00 C ATOM 595 O ASN A 38 16.243 -9.271 -12.594 1.00 0.00 O ATOM 596 CB ASN A 38 17.998 -10.000 -10.408 1.00 0.00 C ATOM 597 CG ASN A 38 19.009 -9.967 -9.260 1.00 0.00 C ATOM 598 OD1 ASN A 38 19.918 -9.162 -9.258 1.00 0.00 O ATOM 599 ND2 ASN A 38 18.889 -10.818 -8.277 1.00 0.00 N ATOM 0 H ASN A 38 16.827 -8.728 -8.562 1.00 0.00 H new ATOM 0 HA ASN A 38 18.159 -7.952 -11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.203 -10.712 -10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 38 18.482 -10.338 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.559 -10.806 -7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.126 -11.494 -8.278 1.00 0.00 H new ATOM 606 N THR A 39 15.084 -8.124 -11.120 1.00 0.00 N ATOM 607 CA THR A 39 13.860 -8.180 -11.967 1.00 0.00 C ATOM 608 C THR A 39 14.024 -7.242 -13.165 1.00 0.00 C ATOM 609 O THR A 39 14.996 -6.521 -13.274 1.00 0.00 O ATOM 610 CB THR A 39 12.649 -7.737 -11.140 1.00 0.00 C ATOM 611 OG1 THR A 39 11.539 -7.535 -12.003 1.00 0.00 O ATOM 612 CG2 THR A 39 12.976 -6.434 -10.410 1.00 0.00 C ATOM 0 H THR A 39 14.978 -7.624 -10.237 1.00 0.00 H new ATOM 0 HA THR A 39 13.710 -9.200 -12.321 1.00 0.00 H new ATOM 0 HB THR A 39 12.405 -8.507 -10.408 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.727 -7.410 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.114 -6.120 -9.822 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.828 -6.591 -9.749 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.220 -5.660 -11.138 1.00 0.00 H new ATOM 620 N THR A 40 13.079 -7.246 -14.066 1.00 0.00 N ATOM 621 CA THR A 40 13.179 -6.356 -15.255 1.00 0.00 C ATOM 622 C THR A 40 13.477 -4.928 -14.799 1.00 0.00 C ATOM 623 O THR A 40 13.038 -4.498 -13.752 1.00 0.00 O ATOM 624 CB THR A 40 11.856 -6.379 -16.024 1.00 0.00 C ATOM 625 OG1 THR A 40 10.789 -6.082 -15.133 1.00 0.00 O ATOM 626 CG2 THR A 40 11.642 -7.763 -16.636 1.00 0.00 C ATOM 0 H THR A 40 12.242 -7.828 -14.029 1.00 0.00 H new ATOM 0 HA THR A 40 13.982 -6.706 -15.903 1.00 0.00 H new ATOM 0 HB THR A 40 11.885 -5.635 -16.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.940 -6.094 -15.623 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.699 -7.777 -17.183 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.461 -7.990 -17.319 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.613 -8.511 -15.843 1.00 0.00 H new ATOM 634 N GLU A 41 14.221 -4.188 -15.575 1.00 0.00 N ATOM 635 CA GLU A 41 14.542 -2.789 -15.179 1.00 0.00 C ATOM 636 C GLU A 41 13.243 -1.997 -15.018 1.00 0.00 C ATOM 637 O GLU A 41 13.079 -1.238 -14.086 1.00 0.00 O ATOM 638 CB GLU A 41 15.413 -2.135 -16.255 1.00 0.00 C ATOM 639 CG GLU A 41 16.479 -3.130 -16.724 1.00 0.00 C ATOM 640 CD GLU A 41 16.218 -3.511 -18.183 1.00 0.00 C ATOM 641 OE1 GLU A 41 16.066 -2.611 -18.992 1.00 0.00 O ATOM 642 OE2 GLU A 41 16.176 -4.697 -18.466 1.00 0.00 O ATOM 0 H GLU A 41 14.619 -4.491 -16.464 1.00 0.00 H new ATOM 0 HA GLU A 41 15.085 -2.795 -14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.796 -1.823 -17.098 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.888 -1.238 -15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.471 -2.690 -16.624 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.461 -4.021 -16.096 1.00 0.00 H new ATOM 649 N LYS A 42 12.315 -2.170 -15.919 1.00 0.00 N ATOM 650 CA LYS A 42 11.028 -1.429 -15.807 1.00 0.00 C ATOM 651 C LYS A 42 10.413 -1.684 -14.430 1.00 0.00 C ATOM 652 O LYS A 42 9.767 -0.828 -13.859 1.00 0.00 O ATOM 653 CB LYS A 42 10.065 -1.910 -16.894 1.00 0.00 C ATOM 654 CG LYS A 42 10.288 -1.095 -18.169 1.00 0.00 C ATOM 655 CD LYS A 42 9.257 -1.500 -19.223 1.00 0.00 C ATOM 656 CE LYS A 42 9.889 -2.489 -20.202 1.00 0.00 C ATOM 657 NZ LYS A 42 9.115 -2.489 -21.476 1.00 0.00 N ATOM 0 H LYS A 42 12.392 -2.790 -16.725 1.00 0.00 H new ATOM 0 HA LYS A 42 11.211 -0.362 -15.932 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.225 -2.969 -17.094 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.034 -1.802 -16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.202 -0.030 -17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.296 -1.263 -18.548 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.389 -1.952 -18.743 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.903 -0.619 -19.758 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.926 -2.215 -20.394 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.899 -3.490 -19.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.544 -3.162 -22.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.132 -2.770 -21.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.128 -1.535 -21.890 1.00 0.00 H new ATOM 671 N GLU A 43 10.609 -2.857 -13.889 1.00 0.00 N ATOM 672 CA GLU A 43 10.035 -3.164 -12.548 1.00 0.00 C ATOM 673 C GLU A 43 10.775 -2.365 -11.475 1.00 0.00 C ATOM 674 O GLU A 43 10.167 -1.785 -10.596 1.00 0.00 O ATOM 675 CB GLU A 43 10.176 -4.660 -12.261 1.00 0.00 C ATOM 676 CG GLU A 43 9.305 -5.033 -11.059 1.00 0.00 C ATOM 677 CD GLU A 43 10.195 -5.291 -9.842 1.00 0.00 C ATOM 678 OE1 GLU A 43 10.965 -4.408 -9.498 1.00 0.00 O ATOM 679 OE2 GLU A 43 10.091 -6.364 -9.272 1.00 0.00 O ATOM 0 H GLU A 43 11.141 -3.614 -14.318 1.00 0.00 H new ATOM 0 HA GLU A 43 8.980 -2.890 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.876 -5.239 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.218 -4.906 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.601 -4.229 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.715 -5.921 -11.286 1.00 0.00 H new ATOM 686 N THR A 44 12.079 -2.321 -11.531 1.00 0.00 N ATOM 687 CA THR A 44 12.823 -1.543 -10.496 1.00 0.00 C ATOM 688 C THR A 44 12.399 -0.086 -10.592 1.00 0.00 C ATOM 689 O THR A 44 12.396 0.642 -9.624 1.00 0.00 O ATOM 690 CB THR A 44 14.345 -1.669 -10.688 1.00 0.00 C ATOM 691 OG1 THR A 44 14.996 -1.281 -9.485 1.00 0.00 O ATOM 692 CG2 THR A 44 14.817 -0.762 -11.827 1.00 0.00 C ATOM 0 H THR A 44 12.655 -2.782 -12.236 1.00 0.00 H new ATOM 0 HA THR A 44 12.586 -1.941 -9.509 1.00 0.00 H new ATOM 0 HB THR A 44 14.588 -2.702 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.801 -0.765 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.895 -0.863 -11.950 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.318 -1.050 -12.752 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.574 0.274 -11.591 1.00 0.00 H new ATOM 700 N PHE A 45 12.037 0.335 -11.764 1.00 0.00 N ATOM 701 CA PHE A 45 11.593 1.742 -11.957 1.00 0.00 C ATOM 702 C PHE A 45 10.225 1.938 -11.302 1.00 0.00 C ATOM 703 O PHE A 45 9.884 3.013 -10.859 1.00 0.00 O ATOM 704 CB PHE A 45 11.503 2.039 -13.447 1.00 0.00 C ATOM 705 CG PHE A 45 12.920 2.151 -14.013 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.903 2.897 -13.331 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.266 1.496 -15.211 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.200 2.987 -13.843 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.568 1.590 -15.712 1.00 0.00 C ATOM 710 CZ PHE A 45 15.532 2.335 -15.031 1.00 0.00 C ATOM 0 H PHE A 45 12.028 -0.239 -12.607 1.00 0.00 H new ATOM 0 HA PHE A 45 12.309 2.422 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.954 1.248 -13.957 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.955 2.966 -13.615 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.652 3.401 -12.409 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.524 0.920 -15.744 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.948 3.563 -13.318 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.829 1.084 -16.630 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.535 2.407 -15.424 1.00 0.00 H new ATOM 720 N CYS A 46 9.434 0.898 -11.248 1.00 0.00 N ATOM 721 CA CYS A 46 8.086 1.013 -10.631 1.00 0.00 C ATOM 722 C CYS A 46 8.233 1.182 -9.112 1.00 0.00 C ATOM 723 O CYS A 46 7.654 2.070 -8.519 1.00 0.00 O ATOM 724 CB CYS A 46 7.289 -0.262 -10.960 1.00 0.00 C ATOM 725 SG CYS A 46 5.909 -0.466 -9.804 1.00 0.00 S ATOM 0 H CYS A 46 9.668 -0.028 -11.607 1.00 0.00 H new ATOM 0 HA CYS A 46 7.557 1.881 -11.024 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.911 -0.208 -11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.945 -1.131 -10.909 1.00 0.00 H new ATOM 730 N ARG A 47 8.999 0.334 -8.485 1.00 0.00 N ATOM 731 CA ARG A 47 9.183 0.437 -7.007 1.00 0.00 C ATOM 732 C ARG A 47 10.020 1.673 -6.659 1.00 0.00 C ATOM 733 O ARG A 47 9.831 2.292 -5.631 1.00 0.00 O ATOM 734 CB ARG A 47 9.910 -0.811 -6.506 1.00 0.00 C ATOM 735 CG ARG A 47 9.627 -1.006 -5.016 1.00 0.00 C ATOM 736 CD ARG A 47 10.459 -0.014 -4.202 1.00 0.00 C ATOM 737 NE ARG A 47 9.553 0.869 -3.416 1.00 0.00 N ATOM 738 CZ ARG A 47 8.713 0.348 -2.564 1.00 0.00 C ATOM 739 NH1 ARG A 47 9.111 0.047 -1.358 1.00 0.00 N ATOM 740 NH2 ARG A 47 7.477 0.129 -2.918 1.00 0.00 N ATOM 0 H ARG A 47 9.508 -0.429 -8.932 1.00 0.00 H new ATOM 0 HA ARG A 47 8.205 0.523 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.580 -1.686 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.983 -0.711 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.566 -0.858 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.868 -2.027 -4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.131 -0.551 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.082 0.585 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 47 9.589 1.880 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.078 0.219 -1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.455 -0.360 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.167 0.365 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.820 -0.278 -2.252 1.00 0.00 H new ATOM 754 N ALA A 48 10.950 2.022 -7.499 1.00 0.00 N ATOM 755 CA ALA A 48 11.815 3.214 -7.204 1.00 0.00 C ATOM 756 C ALA A 48 10.995 4.483 -7.305 1.00 0.00 C ATOM 757 O ALA A 48 10.998 5.325 -6.432 1.00 0.00 O ATOM 758 CB ALA A 48 12.992 3.298 -8.190 1.00 0.00 C ATOM 0 H ALA A 48 11.155 1.542 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 48 12.208 3.103 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.603 4.170 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.600 2.397 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.609 3.387 -9.207 1.00 0.00 H new ATOM 764 N ALA A 49 10.299 4.613 -8.370 1.00 0.00 N ATOM 765 CA ALA A 49 9.459 5.820 -8.579 1.00 0.00 C ATOM 766 C ALA A 49 8.606 6.058 -7.335 1.00 0.00 C ATOM 767 O ALA A 49 8.267 7.177 -7.007 1.00 0.00 O ATOM 768 CB ALA A 49 8.552 5.601 -9.791 1.00 0.00 C ATOM 0 H ALA A 49 10.266 3.930 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 49 10.095 6.688 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.934 6.485 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.163 5.425 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.911 4.737 -9.615 1.00 0.00 H new ATOM 774 N THR A 50 8.260 5.014 -6.639 1.00 0.00 N ATOM 775 CA THR A 50 7.434 5.182 -5.416 1.00 0.00 C ATOM 776 C THR A 50 8.230 5.960 -4.367 1.00 0.00 C ATOM 777 O THR A 50 7.726 6.876 -3.748 1.00 0.00 O ATOM 778 CB THR A 50 7.064 3.805 -4.856 1.00 0.00 C ATOM 779 OG1 THR A 50 7.028 2.860 -5.917 1.00 0.00 O ATOM 780 CG2 THR A 50 5.692 3.875 -4.186 1.00 0.00 C ATOM 0 H THR A 50 8.514 4.052 -6.865 1.00 0.00 H new ATOM 0 HA THR A 50 6.525 5.730 -5.664 1.00 0.00 H new ATOM 0 HB THR A 50 7.808 3.499 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.793 1.978 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.431 2.894 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.721 4.600 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.945 4.180 -4.918 1.00 0.00 H new ATOM 788 N VAL A 51 9.467 5.598 -4.149 1.00 0.00 N ATOM 789 CA VAL A 51 10.275 6.319 -3.126 1.00 0.00 C ATOM 790 C VAL A 51 10.618 7.726 -3.605 1.00 0.00 C ATOM 791 O VAL A 51 10.440 8.676 -2.885 1.00 0.00 O ATOM 792 CB VAL A 51 11.564 5.546 -2.812 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.650 5.868 -3.846 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.063 5.954 -1.428 1.00 0.00 C ATOM 0 H VAL A 51 9.949 4.840 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 51 9.679 6.393 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 51 11.351 4.477 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.556 5.311 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.302 5.586 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.865 6.936 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.979 5.410 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.264 7.025 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.303 5.719 -0.683 1.00 0.00 H new ATOM 804 N LEU A 52 11.115 7.883 -4.798 1.00 0.00 N ATOM 805 CA LEU A 52 11.449 9.258 -5.253 1.00 0.00 C ATOM 806 C LEU A 52 10.193 10.118 -5.161 1.00 0.00 C ATOM 807 O LEU A 52 10.257 11.310 -4.933 1.00 0.00 O ATOM 808 CB LEU A 52 11.935 9.227 -6.703 1.00 0.00 C ATOM 809 CG LEU A 52 12.673 10.529 -7.021 1.00 0.00 C ATOM 810 CD1 LEU A 52 13.507 10.348 -8.292 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.658 11.654 -7.235 1.00 0.00 C ATOM 0 H LEU A 52 11.301 7.135 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 52 12.239 9.670 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.596 8.374 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.089 9.101 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 52 13.329 10.784 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.032 11.276 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.232 9.548 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.851 10.091 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.185 12.581 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.001 11.398 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.065 11.786 -6.330 1.00 0.00 H new ATOM 823 N ARG A 53 9.049 9.518 -5.335 1.00 0.00 N ATOM 824 CA ARG A 53 7.781 10.293 -5.260 1.00 0.00 C ATOM 825 C ARG A 53 7.535 10.731 -3.816 1.00 0.00 C ATOM 826 O ARG A 53 7.270 11.886 -3.547 1.00 0.00 O ATOM 827 CB ARG A 53 6.620 9.420 -5.736 1.00 0.00 C ATOM 828 CG ARG A 53 5.296 10.125 -5.434 1.00 0.00 C ATOM 829 CD ARG A 53 4.753 9.635 -4.091 1.00 0.00 C ATOM 830 NE ARG A 53 3.406 9.029 -4.291 1.00 0.00 N ATOM 831 CZ ARG A 53 2.662 8.740 -3.259 1.00 0.00 C ATOM 832 NH1 ARG A 53 2.930 7.689 -2.534 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.650 9.504 -2.949 1.00 0.00 N ATOM 0 H ARG A 53 8.938 8.522 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 53 7.856 11.174 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.708 9.231 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.651 8.451 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.444 11.204 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.575 9.922 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.433 8.901 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.689 10.465 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 53 3.066 8.840 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.722 7.092 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.348 7.464 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.441 10.327 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.069 9.278 -2.142 1.00 0.00 H new ATOM 847 N GLN A 54 7.614 9.821 -2.880 1.00 0.00 N ATOM 848 CA GLN A 54 7.371 10.208 -1.459 1.00 0.00 C ATOM 849 C GLN A 54 8.474 11.142 -0.964 1.00 0.00 C ATOM 850 O GLN A 54 8.277 11.943 -0.071 1.00 0.00 O ATOM 851 CB GLN A 54 7.320 8.947 -0.583 1.00 0.00 C ATOM 852 CG GLN A 54 8.738 8.412 -0.370 1.00 0.00 C ATOM 853 CD GLN A 54 9.194 8.722 1.056 1.00 0.00 C ATOM 854 OE1 GLN A 54 8.406 8.688 1.981 1.00 0.00 O ATOM 855 NE2 GLN A 54 10.445 9.026 1.277 1.00 0.00 N ATOM 0 H GLN A 54 7.834 8.837 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 54 6.418 10.733 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.859 9.178 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.701 8.186 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.762 7.336 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.421 8.867 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.107 9.055 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.759 9.234 2.225 1.00 0.00 H new ATOM 864 N PHE A 55 9.633 11.018 -1.516 1.00 0.00 N ATOM 865 CA PHE A 55 10.780 11.860 -1.078 1.00 0.00 C ATOM 866 C PHE A 55 10.594 13.323 -1.502 1.00 0.00 C ATOM 867 O PHE A 55 10.701 14.225 -0.693 1.00 0.00 O ATOM 868 CB PHE A 55 12.072 11.321 -1.709 1.00 0.00 C ATOM 869 CG PHE A 55 13.213 12.201 -1.271 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.501 12.333 0.090 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.964 12.905 -2.220 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.543 13.165 0.506 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.006 13.743 -1.803 1.00 0.00 C ATOM 874 CZ PHE A 55 15.294 13.871 -0.440 1.00 0.00 C ATOM 0 H PHE A 55 9.847 10.360 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 55 10.836 11.819 0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.246 10.291 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.991 11.317 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.918 11.792 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.740 12.802 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.769 13.263 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.586 14.289 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.098 14.516 -0.117 1.00 0.00 H new ATOM 884 N TYR A 56 10.326 13.576 -2.755 1.00 0.00 N ATOM 885 CA TYR A 56 10.150 14.995 -3.198 1.00 0.00 C ATOM 886 C TYR A 56 8.811 15.561 -2.671 1.00 0.00 C ATOM 887 O TYR A 56 8.742 16.713 -2.304 1.00 0.00 O ATOM 888 CB TYR A 56 10.219 15.102 -4.743 1.00 0.00 C ATOM 889 CG TYR A 56 8.869 14.838 -5.372 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.882 15.832 -5.346 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.603 13.609 -5.990 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.632 15.597 -5.928 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.352 13.376 -6.574 1.00 0.00 C ATOM 894 CZ TYR A 56 6.366 14.368 -6.541 1.00 0.00 C ATOM 895 OH TYR A 56 5.134 14.136 -7.115 1.00 0.00 O ATOM 0 H TYR A 56 10.222 12.872 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 56 10.964 15.588 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.567 16.096 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.948 14.388 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.087 16.782 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.363 12.842 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.872 16.364 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.148 12.429 -7.051 1.00 0.00 H new ATOM 0 HH TYR A 56 5.105 13.223 -7.469 1.00 0.00 H new ATOM 905 N SER A 57 7.735 14.785 -2.645 1.00 0.00 N ATOM 906 CA SER A 57 6.430 15.341 -2.167 1.00 0.00 C ATOM 907 C SER A 57 6.421 15.596 -0.651 1.00 0.00 C ATOM 908 O SER A 57 5.906 16.595 -0.190 1.00 0.00 O ATOM 909 CB SER A 57 5.313 14.356 -2.511 1.00 0.00 C ATOM 910 OG SER A 57 4.058 15.016 -2.433 1.00 0.00 O ATOM 0 H SER A 57 7.713 13.806 -2.932 1.00 0.00 H new ATOM 0 HA SER A 57 6.278 16.299 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.463 13.955 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.335 13.511 -1.823 1.00 0.00 H new ATOM 0 HG SER A 57 3.342 14.385 -2.655 1.00 0.00 H new ATOM 916 N HIS A 58 6.934 14.687 0.135 1.00 0.00 N ATOM 917 CA HIS A 58 6.894 14.873 1.618 1.00 0.00 C ATOM 918 C HIS A 58 7.838 15.988 2.069 1.00 0.00 C ATOM 919 O HIS A 58 7.465 16.863 2.826 1.00 0.00 O ATOM 920 CB HIS A 58 7.301 13.565 2.300 1.00 0.00 C ATOM 921 CG HIS A 58 6.625 13.467 3.639 1.00 0.00 C ATOM 922 ND1 HIS A 58 7.328 13.553 4.830 1.00 0.00 N ATOM 923 CD2 HIS A 58 5.311 13.288 3.992 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.442 13.428 5.835 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.197 13.265 5.379 1.00 0.00 N ATOM 0 H HIS A 58 7.378 13.826 -0.183 1.00 0.00 H new ATOM 0 HA HIS A 58 5.878 15.152 1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.022 12.715 1.677 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.383 13.528 2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.490 13.181 3.299 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.705 13.456 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.346 13.149 5.929 1.00 0.00 H new ATOM 933 N HIS A 59 9.062 15.950 1.637 1.00 0.00 N ATOM 934 CA HIS A 59 10.040 17.008 2.080 1.00 0.00 C ATOM 935 C HIS A 59 9.674 18.372 1.493 1.00 0.00 C ATOM 936 O HIS A 59 9.987 19.388 2.078 1.00 0.00 O ATOM 937 CB HIS A 59 11.495 16.658 1.711 1.00 0.00 C ATOM 938 CG HIS A 59 12.021 15.666 2.715 1.00 0.00 C ATOM 939 ND1 HIS A 59 12.174 15.990 4.054 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.425 14.361 2.599 1.00 0.00 C ATOM 941 CE1 HIS A 59 12.651 14.900 4.684 1.00 0.00 C ATOM 942 NE2 HIS A 59 12.823 13.878 3.842 1.00 0.00 N ATOM 0 H HIS A 59 9.437 15.245 1.002 1.00 0.00 H new ATOM 0 HA HIS A 59 9.974 17.052 3.167 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.540 16.239 0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.111 17.557 1.709 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.433 13.793 1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.868 14.857 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.171 12.945 4.062 1.00 0.00 H new ATOM 950 N GLU A 60 9.036 18.402 0.342 1.00 0.00 N ATOM 951 CA GLU A 60 8.651 19.708 -0.302 1.00 0.00 C ATOM 952 C GLU A 60 8.538 20.811 0.749 1.00 0.00 C ATOM 953 O GLU A 60 9.062 21.896 0.591 1.00 0.00 O ATOM 954 CB GLU A 60 7.298 19.551 -0.994 1.00 0.00 C ATOM 955 CG GLU A 60 7.498 18.915 -2.366 1.00 0.00 C ATOM 956 CD GLU A 60 6.886 19.812 -3.441 1.00 0.00 C ATOM 957 OE1 GLU A 60 6.947 21.020 -3.282 1.00 0.00 O ATOM 958 OE2 GLU A 60 6.367 19.277 -4.407 1.00 0.00 O ATOM 0 H GLU A 60 8.763 17.572 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 60 9.420 19.979 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.637 18.932 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.816 20.523 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.561 18.771 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.033 17.929 -2.392 1.00 0.00 H new ATOM 965 N LYS A 61 7.864 20.533 1.827 1.00 0.00 N ATOM 966 CA LYS A 61 7.719 21.553 2.903 1.00 0.00 C ATOM 967 C LYS A 61 7.876 20.870 4.264 1.00 0.00 C ATOM 968 O LYS A 61 6.963 20.235 4.754 1.00 0.00 O ATOM 969 CB LYS A 61 6.338 22.204 2.809 1.00 0.00 C ATOM 970 CG LYS A 61 6.097 22.685 1.377 1.00 0.00 C ATOM 971 CD LYS A 61 5.592 24.129 1.402 1.00 0.00 C ATOM 972 CE LYS A 61 6.781 25.085 1.512 1.00 0.00 C ATOM 973 NZ LYS A 61 6.849 25.635 2.896 1.00 0.00 N ATOM 0 H LYS A 61 7.405 19.641 2.011 1.00 0.00 H new ATOM 0 HA LYS A 61 8.484 22.321 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.567 21.490 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.272 23.043 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.020 22.621 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.368 22.042 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.023 24.342 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.916 24.274 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.706 24.561 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.677 25.896 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.427 26.500 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.889 25.859 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.279 24.930 3.529 1.00 0.00 H new ATOM 987 N ASP A 62 9.020 20.993 4.883 1.00 0.00 N ATOM 988 CA ASP A 62 9.213 20.344 6.210 1.00 0.00 C ATOM 989 C ASP A 62 10.427 20.954 6.896 1.00 0.00 C ATOM 990 O ASP A 62 11.052 20.349 7.743 1.00 0.00 O ATOM 991 CB ASP A 62 9.424 18.841 6.021 1.00 0.00 C ATOM 992 CG ASP A 62 8.943 18.098 7.267 1.00 0.00 C ATOM 993 OD1 ASP A 62 7.901 18.466 7.787 1.00 0.00 O ATOM 994 OD2 ASP A 62 9.621 17.173 7.682 1.00 0.00 O ATOM 0 H ASP A 62 9.824 21.512 4.529 1.00 0.00 H new ATOM 0 HA ASP A 62 8.329 20.504 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.878 18.494 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.479 18.631 5.844 1.00 0.00 H new ATOM 999 N THR A 63 10.757 22.153 6.526 1.00 0.00 N ATOM 1000 CA THR A 63 11.933 22.836 7.140 1.00 0.00 C ATOM 1001 C THR A 63 13.079 21.833 7.257 1.00 0.00 C ATOM 1002 O THR A 63 13.917 21.924 8.132 1.00 0.00 O ATOM 1003 CB THR A 63 11.560 23.354 8.531 1.00 0.00 C ATOM 1004 OG1 THR A 63 11.051 22.282 9.312 1.00 0.00 O ATOM 1005 CG2 THR A 63 10.496 24.444 8.404 1.00 0.00 C ATOM 0 H THR A 63 10.262 22.698 5.820 1.00 0.00 H new ATOM 0 HA THR A 63 12.238 23.677 6.518 1.00 0.00 H new ATOM 0 HB THR A 63 12.445 23.769 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.457 21.440 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.232 24.812 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.887 25.266 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.610 24.033 7.921 1.00 0.00 H new ATOM 1013 N ARG A 64 13.111 20.868 6.382 1.00 0.00 N ATOM 1014 CA ARG A 64 14.191 19.841 6.436 1.00 0.00 C ATOM 1015 C ARG A 64 15.530 20.468 6.033 1.00 0.00 C ATOM 1016 O ARG A 64 16.371 20.739 6.867 1.00 0.00 O ATOM 1017 CB ARG A 64 13.853 18.698 5.478 1.00 0.00 C ATOM 1018 CG ARG A 64 14.069 17.360 6.188 1.00 0.00 C ATOM 1019 CD ARG A 64 12.920 17.108 7.166 1.00 0.00 C ATOM 1020 NE ARG A 64 13.469 16.593 8.452 1.00 0.00 N ATOM 1021 CZ ARG A 64 14.024 15.414 8.497 1.00 0.00 C ATOM 1022 NH1 ARG A 64 13.281 14.342 8.484 1.00 0.00 N ATOM 1023 NH2 ARG A 64 15.324 15.305 8.553 1.00 0.00 N ATOM 0 H ARG A 64 12.434 20.745 5.629 1.00 0.00 H new ATOM 0 HA ARG A 64 14.270 19.456 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.819 18.782 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.481 18.756 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.122 16.553 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.019 17.369 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.365 18.030 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.219 16.389 6.743 1.00 0.00 H new ATOM 0 HE ARG A 64 13.411 17.162 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.265 14.426 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.716 13.420 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.906 16.143 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.757 14.382 8.588 1.00 0.00 H new ATOM 1037 N CYS A 65 15.739 20.691 4.764 1.00 0.00 N ATOM 1038 CA CYS A 65 17.029 21.288 4.319 1.00 0.00 C ATOM 1039 C CYS A 65 16.882 22.806 4.194 1.00 0.00 C ATOM 1040 O CYS A 65 17.514 23.430 3.365 1.00 0.00 O ATOM 1041 CB CYS A 65 17.424 20.701 2.963 1.00 0.00 C ATOM 1042 SG CYS A 65 16.138 21.066 1.745 1.00 0.00 S ATOM 0 H CYS A 65 15.074 20.486 4.018 1.00 0.00 H new ATOM 0 HA CYS A 65 17.801 21.060 5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.376 21.120 2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 65 17.562 19.623 3.049 1.00 0.00 H new ATOM 1047 N LEU A 66 16.058 23.405 5.008 1.00 0.00 N ATOM 1048 CA LEU A 66 15.880 24.882 4.930 1.00 0.00 C ATOM 1049 C LEU A 66 16.880 25.563 5.870 1.00 0.00 C ATOM 1050 O LEU A 66 16.949 25.255 7.043 1.00 0.00 O ATOM 1051 CB LEU A 66 14.454 25.248 5.348 1.00 0.00 C ATOM 1052 CG LEU A 66 13.480 24.841 4.240 1.00 0.00 C ATOM 1053 CD1 LEU A 66 13.466 23.316 4.108 1.00 0.00 C ATOM 1054 CD2 LEU A 66 12.074 25.334 4.589 1.00 0.00 C ATOM 0 H LEU A 66 15.501 22.937 5.723 1.00 0.00 H new ATOM 0 HA LEU A 66 16.054 25.217 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.195 24.743 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.382 26.319 5.536 1.00 0.00 H new ATOM 0 HG LEU A 66 13.798 25.286 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.772 23.025 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.467 22.963 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.149 22.872 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.380 25.044 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.756 24.890 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.082 26.420 4.684 1.00 0.00 H new ATOM 1066 N GLY A 67 17.656 26.485 5.365 1.00 0.00 N ATOM 1067 CA GLY A 67 18.646 27.177 6.237 1.00 0.00 C ATOM 1068 C GLY A 67 18.124 28.571 6.601 1.00 0.00 C ATOM 1069 O GLY A 67 18.836 29.550 6.500 1.00 0.00 O ATOM 0 H GLY A 67 17.647 26.787 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.819 26.594 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.604 27.259 5.723 1.00 0.00 H new ATOM 1073 N ALA A 68 16.882 28.676 7.027 1.00 0.00 N ATOM 1074 CA ALA A 68 16.333 30.012 7.390 1.00 0.00 C ATOM 1075 C ALA A 68 16.760 31.036 6.338 1.00 0.00 C ATOM 1076 O ALA A 68 16.887 32.211 6.615 1.00 0.00 O ATOM 1077 CB ALA A 68 16.872 30.432 8.758 1.00 0.00 C ATOM 0 H ALA A 68 16.235 27.895 7.136 1.00 0.00 H new ATOM 0 HA ALA A 68 15.245 29.960 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.470 31.410 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.571 29.700 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.960 30.486 8.720 1.00 0.00 H new ATOM 1083 N THR A 69 16.989 30.593 5.133 1.00 0.00 N ATOM 1084 CA THR A 69 17.415 31.533 4.062 1.00 0.00 C ATOM 1085 C THR A 69 16.550 31.306 2.815 1.00 0.00 C ATOM 1086 O THR A 69 16.573 30.232 2.248 1.00 0.00 O ATOM 1087 CB THR A 69 18.879 31.254 3.711 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.643 31.175 4.906 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.421 32.381 2.830 1.00 0.00 C ATOM 0 H THR A 69 16.899 29.619 4.845 1.00 0.00 H new ATOM 0 HA THR A 69 17.302 32.561 4.406 1.00 0.00 H new ATOM 0 HB THR A 69 18.949 30.310 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.610 30.260 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.463 32.180 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.835 32.440 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.352 33.327 3.366 1.00 0.00 H new ATOM 1097 N ALA A 70 15.796 32.282 2.359 1.00 0.00 N ATOM 1098 CA ALA A 70 14.984 32.046 1.140 1.00 0.00 C ATOM 1099 C ALA A 70 15.901 31.425 0.090 1.00 0.00 C ATOM 1100 O ALA A 70 15.474 30.664 -0.755 1.00 0.00 O ATOM 1101 CB ALA A 70 14.423 33.373 0.622 1.00 0.00 C ATOM 0 H ALA A 70 15.714 33.210 2.774 1.00 0.00 H new ATOM 0 HA ALA A 70 14.147 31.383 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.828 33.192 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.796 33.827 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.246 34.046 0.381 1.00 0.00 H new ATOM 1107 N GLN A 71 17.174 31.728 0.155 1.00 0.00 N ATOM 1108 CA GLN A 71 18.126 31.135 -0.822 1.00 0.00 C ATOM 1109 C GLN A 71 18.120 29.618 -0.638 1.00 0.00 C ATOM 1110 O GLN A 71 17.963 28.865 -1.578 1.00 0.00 O ATOM 1111 CB GLN A 71 19.534 31.676 -0.566 1.00 0.00 C ATOM 1112 CG GLN A 71 20.420 31.394 -1.780 1.00 0.00 C ATOM 1113 CD GLN A 71 19.949 32.240 -2.964 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.465 33.314 -3.201 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.984 31.799 -3.723 1.00 0.00 N ATOM 0 H GLN A 71 17.590 32.358 0.841 1.00 0.00 H new ATOM 0 HA GLN A 71 17.829 31.394 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 71 19.493 32.748 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.958 31.209 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.459 31.624 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.378 30.335 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.550 30.897 -3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.663 32.356 -4.515 1.00 0.00 H new ATOM 1124 N GLN A 72 18.272 29.165 0.579 1.00 0.00 N ATOM 1125 CA GLN A 72 18.256 27.700 0.837 1.00 0.00 C ATOM 1126 C GLN A 72 16.940 27.120 0.319 1.00 0.00 C ATOM 1127 O GLN A 72 16.901 26.049 -0.253 1.00 0.00 O ATOM 1128 CB GLN A 72 18.361 27.442 2.344 1.00 0.00 C ATOM 1129 CG GLN A 72 18.809 25.998 2.569 1.00 0.00 C ATOM 1130 CD GLN A 72 19.732 25.931 3.790 1.00 0.00 C ATOM 1131 OE1 GLN A 72 19.540 25.114 4.667 1.00 0.00 O ATOM 1132 NE2 GLN A 72 20.733 26.765 3.880 1.00 0.00 N ATOM 0 H GLN A 72 18.406 29.749 1.404 1.00 0.00 H new ATOM 0 HA GLN A 72 19.098 27.229 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.073 28.132 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.398 27.617 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.941 25.357 2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.329 25.626 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.893 27.451 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.355 26.730 4.688 1.00 0.00 H new ATOM 1141 N PHE A 73 15.861 27.822 0.527 1.00 0.00 N ATOM 1142 CA PHE A 73 14.536 27.326 0.059 1.00 0.00 C ATOM 1143 C PHE A 73 14.526 27.188 -1.466 1.00 0.00 C ATOM 1144 O PHE A 73 13.817 26.368 -2.012 1.00 0.00 O ATOM 1145 CB PHE A 73 13.450 28.320 0.480 1.00 0.00 C ATOM 1146 CG PHE A 73 12.093 27.770 0.113 1.00 0.00 C ATOM 1147 CD1 PHE A 73 11.748 26.459 0.464 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.178 28.573 -0.580 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.488 25.953 0.123 1.00 0.00 C ATOM 1150 CE2 PHE A 73 9.919 28.065 -0.922 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.574 26.755 -0.570 1.00 0.00 C ATOM 0 H PHE A 73 15.840 28.723 1.004 1.00 0.00 H new ATOM 0 HA PHE A 73 14.346 26.349 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.503 28.499 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.610 29.280 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.453 25.839 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.444 29.584 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.221 24.943 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.214 28.684 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.603 26.363 -0.833 1.00 0.00 H new ATOM 1161 N HIS A 74 15.279 27.995 -2.163 1.00 0.00 N ATOM 1162 CA HIS A 74 15.277 27.908 -3.654 1.00 0.00 C ATOM 1163 C HIS A 74 15.948 26.629 -4.125 1.00 0.00 C ATOM 1164 O HIS A 74 15.516 25.989 -5.061 1.00 0.00 O ATOM 1165 CB HIS A 74 16.010 29.115 -4.237 1.00 0.00 C ATOM 1166 CG HIS A 74 15.209 29.691 -5.372 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.823 28.930 -6.466 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.714 30.951 -5.599 1.00 0.00 C ATOM 1169 CE1 HIS A 74 14.129 29.733 -7.293 1.00 0.00 C ATOM 1170 NE2 HIS A 74 14.033 30.975 -6.813 1.00 0.00 N ATOM 0 H HIS A 74 15.893 28.708 -1.768 1.00 0.00 H new ATOM 0 HA HIS A 74 14.243 27.901 -3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.161 29.870 -3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.998 28.818 -4.589 1.00 0.00 H new ATOM 0 HD1 HIS A 74 15.028 27.942 -6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.835 31.795 -4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.701 29.412 -8.231 1.00 0.00 H new ATOM 1178 N ARG A 75 16.994 26.263 -3.484 1.00 0.00 N ATOM 1179 CA ARG A 75 17.721 25.020 -3.873 1.00 0.00 C ATOM 1180 C ARG A 75 16.856 23.808 -3.529 1.00 0.00 C ATOM 1181 O ARG A 75 16.877 22.799 -4.207 1.00 0.00 O ATOM 1182 CB ARG A 75 19.044 24.939 -3.108 1.00 0.00 C ATOM 1183 CG ARG A 75 20.205 24.878 -4.105 1.00 0.00 C ATOM 1184 CD ARG A 75 21.247 23.869 -3.620 1.00 0.00 C ATOM 1185 NE ARG A 75 22.205 24.545 -2.700 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.337 25.004 -3.161 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.384 26.188 -3.709 1.00 0.00 N ATOM 1188 NH2 ARG A 75 24.418 24.281 -3.073 1.00 0.00 N ATOM 0 H ARG A 75 17.395 26.768 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 75 17.926 25.034 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.154 25.806 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.053 24.057 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.837 24.590 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.660 25.863 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.756 23.042 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.781 23.445 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 75 21.977 24.649 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.537 26.753 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.267 26.548 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.380 23.356 -2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 75 25.302 24.640 -3.433 1.00 0.00 H new ATOM 1202 N HIS A 76 16.093 23.907 -2.480 1.00 0.00 N ATOM 1203 CA HIS A 76 15.212 22.778 -2.069 1.00 0.00 C ATOM 1204 C HIS A 76 14.069 22.618 -3.075 1.00 0.00 C ATOM 1205 O HIS A 76 13.794 21.536 -3.556 1.00 0.00 O ATOM 1206 CB HIS A 76 14.620 23.107 -0.704 1.00 0.00 C ATOM 1207 CG HIS A 76 13.543 22.134 -0.356 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.500 20.838 -0.844 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.464 22.269 0.457 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.411 20.248 -0.314 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.742 21.081 0.490 1.00 0.00 N ATOM 0 H HIS A 76 16.040 24.731 -1.881 1.00 0.00 H new ATOM 0 HA HIS A 76 15.790 21.855 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.402 23.080 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.216 24.119 -0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.205 23.167 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.115 19.229 -0.514 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.888 20.887 1.013 1.00 0.00 H new ATOM 1219 N LYS A 77 13.390 23.689 -3.376 1.00 0.00 N ATOM 1220 CA LYS A 77 12.244 23.622 -4.329 1.00 0.00 C ATOM 1221 C LYS A 77 12.727 23.333 -5.756 1.00 0.00 C ATOM 1222 O LYS A 77 12.007 22.769 -6.547 1.00 0.00 O ATOM 1223 CB LYS A 77 11.495 24.956 -4.314 1.00 0.00 C ATOM 1224 CG LYS A 77 10.753 25.111 -2.985 1.00 0.00 C ATOM 1225 CD LYS A 77 9.271 25.389 -3.255 1.00 0.00 C ATOM 1226 CE LYS A 77 8.415 24.370 -2.501 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.013 24.428 -3.005 1.00 0.00 N ATOM 0 H LYS A 77 13.581 24.618 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 77 11.585 22.813 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.196 25.780 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.789 24.998 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.861 24.205 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.187 25.927 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.016 26.400 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.068 25.330 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.820 23.367 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.437 24.581 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.431 23.735 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.629 25.383 -2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.000 24.207 -4.021 1.00 0.00 H new ATOM 1241 N GLN A 78 13.916 23.741 -6.105 1.00 0.00 N ATOM 1242 CA GLN A 78 14.407 23.513 -7.491 1.00 0.00 C ATOM 1243 C GLN A 78 14.676 22.028 -7.741 1.00 0.00 C ATOM 1244 O GLN A 78 14.219 21.457 -8.712 1.00 0.00 O ATOM 1245 CB GLN A 78 15.710 24.280 -7.661 1.00 0.00 C ATOM 1246 CG GLN A 78 15.596 25.237 -8.849 1.00 0.00 C ATOM 1247 CD GLN A 78 16.644 26.344 -8.716 1.00 0.00 C ATOM 1248 OE1 GLN A 78 16.387 27.372 -8.122 1.00 0.00 O ATOM 1249 NE2 GLN A 78 17.822 26.175 -9.249 1.00 0.00 N ATOM 0 H GLN A 78 14.569 24.223 -5.488 1.00 0.00 H new ATOM 0 HA GLN A 78 13.650 23.851 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.935 24.839 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.534 23.585 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.742 24.694 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.597 25.670 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.037 25.312 -9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.528 26.906 -9.167 1.00 0.00 H new ATOM 1258 N LEU A 79 15.421 21.401 -6.878 1.00 0.00 N ATOM 1259 CA LEU A 79 15.730 19.960 -7.066 1.00 0.00 C ATOM 1260 C LEU A 79 14.470 19.149 -6.823 1.00 0.00 C ATOM 1261 O LEU A 79 14.218 18.189 -7.505 1.00 0.00 O ATOM 1262 CB LEU A 79 16.858 19.526 -6.113 1.00 0.00 C ATOM 1263 CG LEU A 79 16.294 19.172 -4.732 1.00 0.00 C ATOM 1264 CD1 LEU A 79 15.909 17.691 -4.706 1.00 0.00 C ATOM 1265 CD2 LEU A 79 17.356 19.439 -3.664 1.00 0.00 C ATOM 0 H LEU A 79 15.831 21.827 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 79 16.074 19.787 -8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.381 18.665 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.589 20.328 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 79 15.414 19.783 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.508 17.437 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.154 17.498 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.791 17.082 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.956 19.188 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.236 18.827 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.635 20.493 -3.683 1.00 0.00 H new ATOM 1277 N ILE A 80 13.669 19.532 -5.869 1.00 0.00 N ATOM 1278 CA ILE A 80 12.414 18.779 -5.621 1.00 0.00 C ATOM 1279 C ILE A 80 11.504 18.951 -6.847 1.00 0.00 C ATOM 1280 O ILE A 80 10.766 18.063 -7.212 1.00 0.00 O ATOM 1281 CB ILE A 80 11.728 19.344 -4.367 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.022 18.442 -3.169 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.207 19.422 -4.561 1.00 0.00 C ATOM 1284 CD1 ILE A 80 13.526 18.201 -3.065 1.00 0.00 C ATOM 0 H ILE A 80 13.830 20.330 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 80 12.621 17.721 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 80 12.117 20.347 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.654 18.905 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.498 17.492 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.745 19.825 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.981 20.072 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.813 18.424 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.733 17.558 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.881 17.719 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.039 19.154 -2.935 1.00 0.00 H new ATOM 1296 N ARG A 81 11.550 20.093 -7.481 1.00 0.00 N ATOM 1297 CA ARG A 81 10.691 20.307 -8.677 1.00 0.00 C ATOM 1298 C ARG A 81 11.137 19.328 -9.748 1.00 0.00 C ATOM 1299 O ARG A 81 10.344 18.622 -10.338 1.00 0.00 O ATOM 1300 CB ARG A 81 10.857 21.736 -9.191 1.00 0.00 C ATOM 1301 CG ARG A 81 9.477 22.351 -9.445 1.00 0.00 C ATOM 1302 CD ARG A 81 8.711 22.447 -8.125 1.00 0.00 C ATOM 1303 NE ARG A 81 7.647 23.483 -8.243 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.935 24.666 -8.713 1.00 0.00 C ATOM 1305 NH1 ARG A 81 7.945 24.871 -10.002 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.214 25.643 -7.894 1.00 0.00 N ATOM 0 H ARG A 81 12.143 20.882 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 81 9.643 20.150 -8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.405 22.334 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.442 21.737 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.584 23.341 -9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.921 21.741 -10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.268 21.482 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.393 22.702 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 81 6.692 23.267 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.728 24.107 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.170 25.795 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.207 25.482 -6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.439 26.568 -8.261 1.00 0.00 H new ATOM 1320 N PHE A 82 12.416 19.261 -9.980 1.00 0.00 N ATOM 1321 CA PHE A 82 12.941 18.322 -10.973 1.00 0.00 C ATOM 1322 C PHE A 82 12.682 16.906 -10.461 1.00 0.00 C ATOM 1323 O PHE A 82 12.503 15.984 -11.232 1.00 0.00 O ATOM 1324 CB PHE A 82 14.434 18.589 -11.138 1.00 0.00 C ATOM 1325 CG PHE A 82 14.645 19.626 -12.216 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.216 19.374 -13.524 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.276 20.837 -11.906 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.416 20.334 -14.522 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.475 21.797 -12.904 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.046 21.546 -14.214 1.00 0.00 C ATOM 0 H PHE A 82 13.120 19.830 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 82 12.458 18.440 -11.943 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.858 18.937 -10.196 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.952 17.667 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.731 18.439 -13.763 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.609 21.030 -10.897 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.084 20.140 -15.531 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.960 22.732 -12.665 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.201 22.286 -14.985 1.00 0.00 H new ATOM 1340 N LEU A 83 12.634 16.721 -9.160 1.00 0.00 N ATOM 1341 CA LEU A 83 12.356 15.356 -8.634 1.00 0.00 C ATOM 1342 C LEU A 83 11.008 14.903 -9.159 1.00 0.00 C ATOM 1343 O LEU A 83 10.851 13.838 -9.720 1.00 0.00 O ATOM 1344 CB LEU A 83 12.285 15.409 -7.118 1.00 0.00 C ATOM 1345 CG LEU A 83 13.700 15.364 -6.537 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.645 15.383 -5.009 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.387 14.087 -6.991 1.00 0.00 C ATOM 0 H LEU A 83 12.773 17.446 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 83 13.143 14.670 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.779 16.320 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.699 14.570 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 83 14.254 16.235 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.658 15.351 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.151 16.295 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.087 14.517 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.396 14.050 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.820 13.224 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.438 14.069 -8.080 1.00 0.00 H new ATOM 1359 N LYS A 84 10.049 15.737 -8.974 1.00 0.00 N ATOM 1360 CA LYS A 84 8.669 15.444 -9.443 1.00 0.00 C ATOM 1361 C LYS A 84 8.721 15.095 -10.923 1.00 0.00 C ATOM 1362 O LYS A 84 8.082 14.166 -11.372 1.00 0.00 O ATOM 1363 CB LYS A 84 7.782 16.673 -9.235 1.00 0.00 C ATOM 1364 CG LYS A 84 6.357 16.358 -9.697 1.00 0.00 C ATOM 1365 CD LYS A 84 5.667 17.647 -10.145 1.00 0.00 C ATOM 1366 CE LYS A 84 4.152 17.437 -10.160 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.470 18.705 -9.774 1.00 0.00 N ATOM 0 H LYS A 84 10.156 16.637 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 84 8.255 14.609 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.780 16.959 -8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.178 17.520 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.380 15.641 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.795 15.895 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.925 18.463 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.015 17.932 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.827 17.125 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.878 16.639 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.440 18.562 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.771 18.984 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.722 19.454 -10.450 1.00 0.00 H new ATOM 1381 N ARG A 85 9.490 15.818 -11.691 1.00 0.00 N ATOM 1382 CA ARG A 85 9.579 15.485 -13.134 1.00 0.00 C ATOM 1383 C ARG A 85 9.887 14.004 -13.251 1.00 0.00 C ATOM 1384 O ARG A 85 9.310 13.281 -14.039 1.00 0.00 O ATOM 1385 CB ARG A 85 10.682 16.301 -13.789 1.00 0.00 C ATOM 1386 CG ARG A 85 10.051 17.178 -14.864 1.00 0.00 C ATOM 1387 CD ARG A 85 9.221 16.310 -15.810 1.00 0.00 C ATOM 1388 NE ARG A 85 9.619 16.592 -17.219 1.00 0.00 N ATOM 1389 CZ ARG A 85 8.979 16.026 -18.205 1.00 0.00 C ATOM 1390 NH1 ARG A 85 8.282 14.942 -17.994 1.00 0.00 N ATOM 1391 NH2 ARG A 85 9.034 16.543 -19.402 1.00 0.00 N ATOM 0 H ARG A 85 10.051 16.613 -11.385 1.00 0.00 H new ATOM 0 HA ARG A 85 8.640 15.717 -13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.191 16.916 -13.047 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.432 15.643 -14.227 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.420 17.938 -14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.827 17.703 -15.422 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.374 15.255 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.159 16.515 -15.672 1.00 0.00 H new ATOM 0 HE ARG A 85 10.393 17.228 -17.412 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.238 14.538 -17.058 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.782 14.499 -18.765 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.578 17.390 -19.567 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.533 16.100 -20.172 1.00 0.00 H new ATOM 1405 N LEU A 86 10.799 13.560 -12.450 1.00 0.00 N ATOM 1406 CA LEU A 86 11.189 12.124 -12.456 1.00 0.00 C ATOM 1407 C LEU A 86 10.063 11.253 -11.873 1.00 0.00 C ATOM 1408 O LEU A 86 9.932 10.102 -12.225 1.00 0.00 O ATOM 1409 CB LEU A 86 12.458 11.941 -11.618 1.00 0.00 C ATOM 1410 CG LEU A 86 13.263 10.754 -12.155 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.541 10.954 -13.648 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.591 10.657 -11.401 1.00 0.00 C ATOM 0 H LEU A 86 11.304 14.137 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 86 11.372 11.815 -13.485 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.062 12.848 -11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.195 11.772 -10.574 1.00 0.00 H new ATOM 0 HG LEU A 86 12.692 9.836 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.114 10.108 -14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.597 11.024 -14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.111 11.872 -13.792 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.165 9.812 -11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.159 11.576 -11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.396 10.513 -10.338 1.00 0.00 H new ATOM 1424 N ASP A 87 9.264 11.761 -10.965 1.00 0.00 N ATOM 1425 CA ASP A 87 8.191 10.909 -10.379 1.00 0.00 C ATOM 1426 C ASP A 87 7.084 10.618 -11.406 1.00 0.00 C ATOM 1427 O ASP A 87 6.685 9.485 -11.588 1.00 0.00 O ATOM 1428 CB ASP A 87 7.586 11.619 -9.169 1.00 0.00 C ATOM 1429 CG ASP A 87 6.438 10.776 -8.606 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.430 9.582 -8.857 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.590 11.339 -7.935 1.00 0.00 O ATOM 0 H ASP A 87 9.310 12.716 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 87 8.634 9.960 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.348 11.772 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.221 12.605 -9.457 1.00 0.00 H new ATOM 1436 N ARG A 88 6.573 11.624 -12.062 1.00 0.00 N ATOM 1437 CA ARG A 88 5.479 11.390 -13.054 1.00 0.00 C ATOM 1438 C ARG A 88 6.025 10.659 -14.287 1.00 0.00 C ATOM 1439 O ARG A 88 5.379 9.800 -14.852 1.00 0.00 O ATOM 1440 CB ARG A 88 4.899 12.738 -13.487 1.00 0.00 C ATOM 1441 CG ARG A 88 3.718 13.099 -12.581 1.00 0.00 C ATOM 1442 CD ARG A 88 2.478 13.358 -13.437 1.00 0.00 C ATOM 1443 NE ARG A 88 2.396 14.809 -13.767 1.00 0.00 N ATOM 1444 CZ ARG A 88 2.839 15.242 -14.914 1.00 0.00 C ATOM 1445 NH1 ARG A 88 4.123 15.278 -15.149 1.00 0.00 N ATOM 1446 NH2 ARG A 88 1.999 15.641 -15.831 1.00 0.00 N ATOM 0 H ARG A 88 6.863 12.596 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 88 4.705 10.777 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.665 13.511 -13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.573 12.689 -14.526 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.525 12.289 -11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.956 13.984 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.525 12.768 -14.352 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.582 13.045 -12.902 1.00 0.00 H new ATOM 0 HE ARG A 88 1.993 15.463 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.781 14.967 -14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.468 15.617 -16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.996 15.614 -15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.346 15.980 -16.728 1.00 0.00 H new ATOM 1460 N ASN A 89 7.204 11.012 -14.713 1.00 0.00 N ATOM 1461 CA ASN A 89 7.805 10.360 -15.927 1.00 0.00 C ATOM 1462 C ASN A 89 8.197 8.914 -15.616 1.00 0.00 C ATOM 1463 O ASN A 89 8.037 8.028 -16.424 1.00 0.00 O ATOM 1464 CB ASN A 89 9.056 11.153 -16.383 1.00 0.00 C ATOM 1465 CG ASN A 89 10.319 10.282 -16.313 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.232 10.577 -15.568 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.397 9.207 -17.050 1.00 0.00 N ATOM 0 H ASN A 89 7.786 11.727 -14.276 1.00 0.00 H new ATOM 0 HA ASN A 89 7.064 10.360 -16.727 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.912 11.509 -17.403 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.182 12.033 -15.753 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.225 8.614 -17.001 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.630 8.960 -17.675 1.00 0.00 H new ATOM 1474 N LEU A 90 8.763 8.694 -14.476 1.00 0.00 N ATOM 1475 CA LEU A 90 9.226 7.319 -14.126 1.00 0.00 C ATOM 1476 C LEU A 90 8.115 6.298 -14.389 1.00 0.00 C ATOM 1477 O LEU A 90 8.383 5.153 -14.700 1.00 0.00 O ATOM 1478 CB LEU A 90 9.622 7.279 -12.652 1.00 0.00 C ATOM 1479 CG LEU A 90 11.096 7.663 -12.510 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.483 7.656 -11.030 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.960 6.657 -13.270 1.00 0.00 C ATOM 0 H LEU A 90 8.930 9.403 -13.762 1.00 0.00 H new ATOM 0 HA LEU A 90 10.086 7.066 -14.746 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.999 7.965 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.454 6.281 -12.246 1.00 0.00 H new ATOM 0 HG LEU A 90 11.254 8.660 -12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.533 7.929 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.866 8.374 -10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.326 6.659 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.010 6.930 -13.169 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.803 5.660 -12.859 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.683 6.663 -14.324 1.00 0.00 H new ATOM 1493 N TRP A 91 6.874 6.685 -14.275 1.00 0.00 N ATOM 1494 CA TRP A 91 5.779 5.719 -14.526 1.00 0.00 C ATOM 1495 C TRP A 91 5.815 5.303 -16.004 1.00 0.00 C ATOM 1496 O TRP A 91 5.639 4.147 -16.328 1.00 0.00 O ATOM 1497 CB TRP A 91 4.438 6.368 -14.156 1.00 0.00 C ATOM 1498 CG TRP A 91 4.363 6.504 -12.677 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.198 7.670 -12.028 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.443 5.468 -11.657 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.179 7.425 -10.665 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.325 6.079 -10.387 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.608 4.073 -11.710 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.367 5.332 -9.210 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.651 3.317 -10.526 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.532 3.946 -9.279 1.00 0.00 C ATOM 0 H TRP A 91 6.576 7.626 -14.019 1.00 0.00 H new ATOM 0 HA TRP A 91 5.902 4.826 -13.913 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.348 7.346 -14.630 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.611 5.760 -14.521 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.097 8.639 -12.494 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.071 8.148 -9.954 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.702 3.579 -12.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.273 5.821 -8.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.776 2.246 -10.577 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.568 3.360 -8.372 1.00 0.00 H new ATOM 1517 N GLY A 92 6.076 6.221 -16.904 1.00 0.00 N ATOM 1518 CA GLY A 92 6.159 5.843 -18.342 1.00 0.00 C ATOM 1519 C GLY A 92 7.435 5.022 -18.560 1.00 0.00 C ATOM 1520 O GLY A 92 7.425 3.981 -19.186 1.00 0.00 O ATOM 0 H GLY A 92 6.234 7.208 -16.703 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.282 5.264 -18.632 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.172 6.736 -18.967 1.00 0.00 H new ATOM 1524 N LEU A 93 8.535 5.499 -18.040 1.00 0.00 N ATOM 1525 CA LEU A 93 9.829 4.789 -18.186 1.00 0.00 C ATOM 1526 C LEU A 93 9.679 3.320 -17.762 1.00 0.00 C ATOM 1527 O LEU A 93 10.324 2.443 -18.301 1.00 0.00 O ATOM 1528 CB LEU A 93 10.846 5.493 -17.289 1.00 0.00 C ATOM 1529 CG LEU A 93 12.280 5.301 -17.805 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.434 3.983 -18.572 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.648 6.471 -18.719 1.00 0.00 C ATOM 0 H LEU A 93 8.587 6.369 -17.510 1.00 0.00 H new ATOM 0 HA LEU A 93 10.158 4.807 -19.225 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.615 6.557 -17.241 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.768 5.104 -16.274 1.00 0.00 H new ATOM 0 HG LEU A 93 12.949 5.267 -16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.462 3.883 -18.921 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.192 3.149 -17.914 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.758 3.979 -19.427 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.665 6.339 -19.088 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.958 6.505 -19.562 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.583 7.404 -18.159 1.00 0.00 H new ATOM 1543 N ALA A 94 8.837 3.044 -16.799 1.00 0.00 N ATOM 1544 CA ALA A 94 8.660 1.633 -16.347 1.00 0.00 C ATOM 1545 C ALA A 94 7.501 0.987 -17.108 1.00 0.00 C ATOM 1546 O ALA A 94 7.694 0.107 -17.923 1.00 0.00 O ATOM 1547 CB ALA A 94 8.354 1.616 -14.848 1.00 0.00 C ATOM 0 H ALA A 94 8.267 3.733 -16.308 1.00 0.00 H new ATOM 0 HA ALA A 94 9.575 1.074 -16.543 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.224 0.586 -14.515 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.180 2.072 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.439 2.177 -14.657 1.00 0.00 H new ATOM 1553 N GLY A 95 6.295 1.418 -16.852 1.00 0.00 N ATOM 1554 CA GLY A 95 5.125 0.828 -17.565 1.00 0.00 C ATOM 1555 C GLY A 95 4.167 0.173 -16.556 1.00 0.00 C ATOM 1556 O GLY A 95 2.997 0.001 -16.832 1.00 0.00 O ATOM 0 H GLY A 95 6.069 2.152 -16.181 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.602 1.603 -18.125 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.466 0.087 -18.288 1.00 0.00 H new ATOM 1560 N LEU A 96 4.645 -0.194 -15.390 1.00 0.00 N ATOM 1561 CA LEU A 96 3.747 -0.828 -14.389 1.00 0.00 C ATOM 1562 C LEU A 96 3.525 0.145 -13.229 1.00 0.00 C ATOM 1563 O LEU A 96 4.229 1.125 -13.087 1.00 0.00 O ATOM 1564 CB LEU A 96 4.402 -2.099 -13.855 1.00 0.00 C ATOM 1565 CG LEU A 96 3.326 -3.118 -13.482 1.00 0.00 C ATOM 1566 CD1 LEU A 96 3.024 -4.008 -14.690 1.00 0.00 C ATOM 1567 CD2 LEU A 96 3.825 -3.984 -12.322 1.00 0.00 C ATOM 0 H LEU A 96 5.615 -0.080 -15.095 1.00 0.00 H new ATOM 0 HA LEU A 96 2.793 -1.075 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.069 -2.519 -14.608 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.013 -1.866 -12.983 1.00 0.00 H new ATOM 0 HG LEU A 96 2.418 -2.595 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.257 -4.735 -14.424 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.669 -3.392 -15.516 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.931 -4.532 -14.992 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.058 -4.711 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.733 -4.507 -12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.040 -3.351 -11.461 1.00 0.00 H new ATOM 1579 N ASN A 97 2.548 -0.112 -12.404 1.00 0.00 N ATOM 1580 CA ASN A 97 2.279 0.800 -11.260 1.00 0.00 C ATOM 1581 C ASN A 97 1.702 0.003 -10.086 1.00 0.00 C ATOM 1582 O ASN A 97 0.763 0.426 -9.441 1.00 0.00 O ATOM 1583 CB ASN A 97 1.271 1.862 -11.696 1.00 0.00 C ATOM 1584 CG ASN A 97 1.130 2.916 -10.594 1.00 0.00 C ATOM 1585 OD1 ASN A 97 2.108 3.489 -10.155 1.00 0.00 O ATOM 1586 ND2 ASN A 97 -0.056 3.196 -10.126 1.00 0.00 N ATOM 0 H ASN A 97 1.924 -0.916 -12.474 1.00 0.00 H new ATOM 0 HA ASN A 97 3.208 1.276 -10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.600 2.332 -12.623 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.305 1.400 -11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.162 3.896 -9.392 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.876 2.715 -10.495 1.00 0.00 H new ATOM 1593 N SER A 98 2.255 -1.144 -9.803 1.00 0.00 N ATOM 1594 CA SER A 98 1.733 -1.961 -8.670 1.00 0.00 C ATOM 1595 C SER A 98 2.875 -2.768 -8.050 1.00 0.00 C ATOM 1596 O SER A 98 2.904 -3.980 -8.126 1.00 0.00 O ATOM 1597 CB SER A 98 0.655 -2.917 -9.185 1.00 0.00 C ATOM 1598 OG SER A 98 -0.461 -2.888 -8.306 1.00 0.00 O ATOM 0 H SER A 98 3.044 -1.551 -10.306 1.00 0.00 H new ATOM 0 HA SER A 98 1.305 -1.301 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.348 -2.628 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.053 -3.930 -9.252 1.00 0.00 H new ATOM 0 HG SER A 98 -1.153 -3.499 -8.636 1.00 0.00 H new ATOM 1604 N CYS A 99 3.822 -2.105 -7.441 1.00 0.00 N ATOM 1605 CA CYS A 99 4.965 -2.836 -6.823 1.00 0.00 C ATOM 1606 C CYS A 99 5.081 -2.462 -5.341 1.00 0.00 C ATOM 1607 O CYS A 99 6.054 -1.861 -4.934 1.00 0.00 O ATOM 1608 CB CYS A 99 6.255 -2.447 -7.546 1.00 0.00 C ATOM 1609 SG CYS A 99 5.958 -2.429 -9.330 1.00 0.00 S ATOM 0 H CYS A 99 3.853 -1.090 -7.345 1.00 0.00 H new ATOM 0 HA CYS A 99 4.799 -3.910 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.591 -1.465 -7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.048 -3.155 -7.305 1.00 0.00 H new ATOM 1614 N PRO A 100 4.085 -2.839 -4.579 1.00 0.00 N ATOM 1615 CA PRO A 100 4.039 -2.568 -3.108 1.00 0.00 C ATOM 1616 C PRO A 100 4.989 -3.507 -2.362 1.00 0.00 C ATOM 1617 O PRO A 100 4.685 -4.660 -2.133 1.00 0.00 O ATOM 1618 CB PRO A 100 2.588 -2.859 -2.746 1.00 0.00 C ATOM 1619 CG PRO A 100 2.053 -3.809 -3.808 1.00 0.00 C ATOM 1620 CD PRO A 100 2.882 -3.584 -5.074 1.00 0.00 C ATOM 0 HA PRO A 100 4.348 -1.557 -2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.519 -3.308 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.004 -1.939 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.133 -4.844 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.997 -3.617 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.160 -4.527 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 100 2.331 -3.008 -5.817 1.00 0.00 H new ATOM 1628 N VAL A 101 6.141 -3.022 -1.983 1.00 0.00 N ATOM 1629 CA VAL A 101 7.111 -3.888 -1.256 1.00 0.00 C ATOM 1630 C VAL A 101 7.182 -3.453 0.210 1.00 0.00 C ATOM 1631 O VAL A 101 6.210 -3.003 0.781 1.00 0.00 O ATOM 1632 CB VAL A 101 8.494 -3.758 -1.900 1.00 0.00 C ATOM 1633 CG1 VAL A 101 9.279 -5.057 -1.692 1.00 0.00 C ATOM 1634 CG2 VAL A 101 8.340 -3.496 -3.400 1.00 0.00 C ATOM 0 H VAL A 101 6.451 -2.064 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 101 6.785 -4.927 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 101 9.029 -2.928 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.264 -4.965 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.392 -5.247 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.741 -5.885 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.326 -3.404 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.803 -4.325 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.782 -2.572 -3.553 1.00 0.00 H new ATOM 1644 N LYS A 102 8.327 -3.585 0.827 1.00 0.00 N ATOM 1645 CA LYS A 102 8.455 -3.181 2.254 1.00 0.00 C ATOM 1646 C LYS A 102 9.886 -3.456 2.728 1.00 0.00 C ATOM 1647 O LYS A 102 10.161 -4.439 3.385 1.00 0.00 O ATOM 1648 CB LYS A 102 7.459 -3.986 3.105 1.00 0.00 C ATOM 1649 CG LYS A 102 7.850 -5.465 3.087 1.00 0.00 C ATOM 1650 CD LYS A 102 6.610 -6.316 2.808 1.00 0.00 C ATOM 1651 CE LYS A 102 6.777 -7.690 3.460 1.00 0.00 C ATOM 1652 NZ LYS A 102 5.514 -8.467 3.314 1.00 0.00 N ATOM 0 H LYS A 102 9.177 -3.955 0.403 1.00 0.00 H new ATOM 0 HA LYS A 102 8.237 -2.118 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.455 -3.613 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.448 -3.861 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.606 -5.643 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.291 -5.747 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.721 -5.822 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.466 -6.427 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.603 -8.227 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.026 -7.576 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.628 -9.401 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.736 -7.956 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.295 -8.587 2.304 1.00 0.00 H new ATOM 1666 N GLU A 103 10.801 -2.586 2.396 1.00 0.00 N ATOM 1667 CA GLU A 103 12.214 -2.788 2.824 1.00 0.00 C ATOM 1668 C GLU A 103 12.509 -1.905 4.036 1.00 0.00 C ATOM 1669 O GLU A 103 12.907 -0.765 3.905 1.00 0.00 O ATOM 1670 CB GLU A 103 13.155 -2.414 1.677 1.00 0.00 C ATOM 1671 CG GLU A 103 12.688 -3.097 0.390 1.00 0.00 C ATOM 1672 CD GLU A 103 13.302 -4.495 0.303 1.00 0.00 C ATOM 1673 OE1 GLU A 103 14.457 -4.638 0.673 1.00 0.00 O ATOM 1674 OE2 GLU A 103 12.609 -5.400 -0.131 1.00 0.00 O ATOM 0 H GLU A 103 10.631 -1.744 1.847 1.00 0.00 H new ATOM 0 HA GLU A 103 12.367 -3.834 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.170 -1.332 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.174 -2.720 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.600 -3.164 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.982 -2.504 -0.476 1.00 0.00 H new ATOM 1681 N ALA A 104 12.313 -2.426 5.213 1.00 0.00 N ATOM 1682 CA ALA A 104 12.578 -1.621 6.439 1.00 0.00 C ATOM 1683 C ALA A 104 13.958 -0.967 6.331 1.00 0.00 C ATOM 1684 O ALA A 104 14.154 0.158 6.745 1.00 0.00 O ATOM 1685 CB ALA A 104 12.542 -2.533 7.667 1.00 0.00 C ATOM 0 H ALA A 104 11.980 -3.376 5.381 1.00 0.00 H new ATOM 0 HA ALA A 104 11.815 -0.849 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.736 -1.944 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.560 -3.000 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.304 -3.306 7.569 1.00 0.00 H new ATOM 1691 N ASN A 105 14.913 -1.663 5.781 1.00 0.00 N ATOM 1692 CA ASN A 105 16.278 -1.078 5.649 1.00 0.00 C ATOM 1693 C ASN A 105 16.169 0.351 5.113 1.00 0.00 C ATOM 1694 O ASN A 105 15.110 0.795 4.713 1.00 0.00 O ATOM 1695 CB ASN A 105 17.108 -1.924 4.682 1.00 0.00 C ATOM 1696 CG ASN A 105 18.576 -1.497 4.762 1.00 0.00 C ATOM 1697 OD1 ASN A 105 19.112 -0.946 3.822 1.00 0.00 O ATOM 1698 ND2 ASN A 105 19.250 -1.730 5.854 1.00 0.00 N ATOM 0 H ASN A 105 14.809 -2.610 5.417 1.00 0.00 H new ATOM 0 HA ASN A 105 16.763 -1.065 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.011 -2.981 4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.737 -1.801 3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.228 -1.449 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.799 -2.193 6.643 1.00 0.00 H new ATOM 1705 N GLN A 106 17.253 1.079 5.104 1.00 0.00 N ATOM 1706 CA GLN A 106 17.205 2.479 4.595 1.00 0.00 C ATOM 1707 C GLN A 106 18.584 2.878 4.064 1.00 0.00 C ATOM 1708 O GLN A 106 19.581 2.253 4.365 1.00 0.00 O ATOM 1709 CB GLN A 106 16.808 3.422 5.733 1.00 0.00 C ATOM 1710 CG GLN A 106 17.772 3.239 6.909 1.00 0.00 C ATOM 1711 CD GLN A 106 17.039 3.521 8.220 1.00 0.00 C ATOM 1712 OE1 GLN A 106 16.166 2.775 8.615 1.00 0.00 O ATOM 1713 NE2 GLN A 106 17.359 4.577 8.917 1.00 0.00 N ATOM 0 H GLN A 106 18.168 0.765 5.427 1.00 0.00 H new ATOM 0 HA GLN A 106 16.472 2.547 3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.831 4.456 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.786 3.215 6.051 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.168 2.224 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.622 3.913 6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.092 5.204 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.876 4.775 9.793 1.00 0.00 H new ATOM 1722 N SER A 107 18.647 3.918 3.278 1.00 0.00 N ATOM 1723 CA SER A 107 19.960 4.358 2.730 1.00 0.00 C ATOM 1724 C SER A 107 19.928 5.872 2.528 1.00 0.00 C ATOM 1725 O SER A 107 18.960 6.526 2.862 1.00 0.00 O ATOM 1726 CB SER A 107 20.214 3.665 1.390 1.00 0.00 C ATOM 1727 OG SER A 107 21.612 3.532 1.183 1.00 0.00 O ATOM 0 H SER A 107 17.846 4.481 2.992 1.00 0.00 H new ATOM 0 HA SER A 107 20.758 4.095 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.739 2.684 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.769 4.243 0.580 1.00 0.00 H new ATOM 0 HG SER A 107 21.775 3.087 0.325 1.00 0.00 H new ATOM 1733 N THR A 108 20.967 6.437 1.979 1.00 0.00 N ATOM 1734 CA THR A 108 20.970 7.909 1.757 1.00 0.00 C ATOM 1735 C THR A 108 20.532 8.185 0.323 1.00 0.00 C ATOM 1736 O THR A 108 20.774 7.394 -0.565 1.00 0.00 O ATOM 1737 CB THR A 108 22.382 8.456 1.981 1.00 0.00 C ATOM 1738 OG1 THR A 108 23.317 7.647 1.282 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.706 8.441 3.475 1.00 0.00 C ATOM 0 H THR A 108 21.809 5.947 1.676 1.00 0.00 H new ATOM 0 HA THR A 108 20.287 8.395 2.453 1.00 0.00 H new ATOM 0 HB THR A 108 22.439 9.480 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 108 24.222 7.997 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.712 8.831 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.988 9.063 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.650 7.419 3.849 1.00 0.00 H new ATOM 1747 N LEU A 109 19.885 9.290 0.077 1.00 0.00 N ATOM 1748 CA LEU A 109 19.449 9.570 -1.316 1.00 0.00 C ATOM 1749 C LEU A 109 20.664 9.579 -2.234 1.00 0.00 C ATOM 1750 O LEU A 109 20.562 9.249 -3.389 1.00 0.00 O ATOM 1751 CB LEU A 109 18.720 10.901 -1.416 1.00 0.00 C ATOM 1752 CG LEU A 109 17.881 10.873 -2.698 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.440 11.240 -2.382 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.437 11.863 -3.715 1.00 0.00 C ATOM 0 H LEU A 109 19.643 10.000 0.768 1.00 0.00 H new ATOM 0 HA LEU A 109 18.756 8.786 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 109 18.083 11.056 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.431 11.727 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 109 17.920 9.867 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.850 11.218 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 109 16.030 10.525 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.405 12.241 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.832 11.833 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.412 12.869 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.466 11.597 -3.957 1.00 0.00 H new ATOM 1766 N GLU A 110 21.821 9.940 -1.744 1.00 0.00 N ATOM 1767 CA GLU A 110 23.011 9.932 -2.637 1.00 0.00 C ATOM 1768 C GLU A 110 23.043 8.584 -3.353 1.00 0.00 C ATOM 1769 O GLU A 110 23.324 8.497 -4.533 1.00 0.00 O ATOM 1770 CB GLU A 110 24.285 10.100 -1.805 1.00 0.00 C ATOM 1771 CG GLU A 110 24.249 11.444 -1.076 1.00 0.00 C ATOM 1772 CD GLU A 110 25.594 11.686 -0.390 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.472 12.241 -1.029 1.00 0.00 O ATOM 1774 OE2 GLU A 110 25.724 11.311 0.764 1.00 0.00 O ATOM 0 H GLU A 110 21.990 10.234 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 110 22.954 10.750 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 110 24.371 9.286 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 110 25.162 10.048 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.039 12.247 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 110 23.446 11.449 -0.339 1.00 0.00 H new ATOM 1781 N ASN A 111 22.730 7.531 -2.646 1.00 0.00 N ATOM 1782 CA ASN A 111 22.709 6.185 -3.277 1.00 0.00 C ATOM 1783 C ASN A 111 21.518 6.105 -4.234 1.00 0.00 C ATOM 1784 O ASN A 111 21.657 5.722 -5.357 1.00 0.00 O ATOM 1785 CB ASN A 111 22.577 5.098 -2.200 1.00 0.00 C ATOM 1786 CG ASN A 111 23.274 3.823 -2.682 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.099 3.412 -3.812 1.00 0.00 O ATOM 1788 ND2 ASN A 111 24.062 3.177 -1.867 1.00 0.00 N ATOM 0 H ASN A 111 22.488 7.548 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 111 23.638 6.026 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.023 5.439 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.525 4.897 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 111 24.531 2.327 -2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 111 24.209 3.522 -0.919 1.00 0.00 H new ATOM 1795 N PHE A 112 20.346 6.474 -3.804 1.00 0.00 N ATOM 1796 CA PHE A 112 19.166 6.410 -4.722 1.00 0.00 C ATOM 1797 C PHE A 112 19.521 7.071 -6.050 1.00 0.00 C ATOM 1798 O PHE A 112 19.116 6.624 -7.099 1.00 0.00 O ATOM 1799 CB PHE A 112 18.002 7.169 -4.068 1.00 0.00 C ATOM 1800 CG PHE A 112 16.745 7.022 -4.887 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.377 5.775 -5.404 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.941 8.143 -5.120 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.203 5.649 -6.155 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.770 8.019 -5.870 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.397 6.772 -6.388 1.00 0.00 C ATOM 0 H PHE A 112 20.149 6.816 -2.863 1.00 0.00 H new ATOM 0 HA PHE A 112 18.884 5.373 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.833 6.788 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.258 8.224 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.999 4.910 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.226 9.105 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.918 4.687 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.151 8.885 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.490 6.676 -6.966 1.00 0.00 H new ATOM 1815 N LEU A 113 20.276 8.123 -6.024 1.00 0.00 N ATOM 1816 CA LEU A 113 20.660 8.778 -7.296 1.00 0.00 C ATOM 1817 C LEU A 113 21.675 7.879 -8.029 1.00 0.00 C ATOM 1818 O LEU A 113 21.654 7.772 -9.239 1.00 0.00 O ATOM 1819 CB LEU A 113 21.251 10.169 -7.004 1.00 0.00 C ATOM 1820 CG LEU A 113 20.610 11.197 -7.936 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.984 10.885 -9.386 1.00 0.00 C ATOM 1822 CD2 LEU A 113 19.089 11.141 -7.779 1.00 0.00 C ATOM 0 H LEU A 113 20.644 8.559 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 113 19.787 8.914 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.071 10.442 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 113 22.331 10.155 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 113 20.970 12.193 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 113 20.525 11.620 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 113 22.068 10.923 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.627 9.889 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.628 11.873 -8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.733 10.143 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.821 11.367 -6.747 1.00 0.00 H new ATOM 1834 N GLU A 114 22.561 7.221 -7.306 1.00 0.00 N ATOM 1835 CA GLU A 114 23.561 6.325 -7.958 1.00 0.00 C ATOM 1836 C GLU A 114 22.861 5.071 -8.492 1.00 0.00 C ATOM 1837 O GLU A 114 23.002 4.699 -9.638 1.00 0.00 O ATOM 1838 CB GLU A 114 24.587 5.915 -6.908 1.00 0.00 C ATOM 1839 CG GLU A 114 26.001 6.144 -7.434 1.00 0.00 C ATOM 1840 CD GLU A 114 26.115 5.602 -8.861 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.393 4.672 -9.179 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.923 6.126 -9.609 1.00 0.00 O ATOM 0 H GLU A 114 22.628 7.271 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 114 24.044 6.844 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.433 6.490 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.453 4.865 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.237 7.208 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.725 5.648 -6.787 1.00 0.00 H new ATOM 1849 N ARG A 115 22.105 4.427 -7.648 1.00 0.00 N ATOM 1850 CA ARG A 115 21.366 3.200 -8.034 1.00 0.00 C ATOM 1851 C ARG A 115 20.434 3.524 -9.193 1.00 0.00 C ATOM 1852 O ARG A 115 20.427 2.859 -10.209 1.00 0.00 O ATOM 1853 CB ARG A 115 20.536 2.753 -6.824 1.00 0.00 C ATOM 1854 CG ARG A 115 20.739 1.255 -6.581 1.00 0.00 C ATOM 1855 CD ARG A 115 22.233 0.949 -6.473 1.00 0.00 C ATOM 1856 NE ARG A 115 22.584 -0.142 -7.425 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.799 -0.615 -7.457 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.536 -0.595 -6.378 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.279 -1.110 -8.565 1.00 0.00 N ATOM 0 H ARG A 115 21.967 4.712 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 115 22.056 2.412 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.832 3.318 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.481 2.963 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.229 0.953 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.298 0.681 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.816 1.843 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.482 0.652 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 115 21.874 -0.519 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.161 -0.210 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.486 -0.965 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.704 -1.127 -9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 115 25.229 -1.480 -8.589 1.00 0.00 H new ATOM 1873 N LEU A 116 19.653 4.554 -9.049 1.00 0.00 N ATOM 1874 CA LEU A 116 18.723 4.944 -10.143 1.00 0.00 C ATOM 1875 C LEU A 116 19.528 5.132 -11.440 1.00 0.00 C ATOM 1876 O LEU A 116 19.111 4.702 -12.497 1.00 0.00 O ATOM 1877 CB LEU A 116 18.045 6.268 -9.787 1.00 0.00 C ATOM 1878 CG LEU A 116 16.869 6.006 -8.850 1.00 0.00 C ATOM 1879 CD1 LEU A 116 16.372 7.338 -8.287 1.00 0.00 C ATOM 1880 CD2 LEU A 116 15.740 5.326 -9.626 1.00 0.00 C ATOM 0 H LEU A 116 19.618 5.145 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 116 17.969 4.168 -10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 116 18.761 6.938 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.698 6.765 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 116 17.186 5.357 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.532 7.159 -7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.178 7.824 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.052 7.982 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.900 5.139 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.417 5.974 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.097 4.380 -10.034 1.00 0.00 H new ATOM 1892 N LYS A 117 20.680 5.782 -11.380 1.00 0.00 N ATOM 1893 CA LYS A 117 21.474 5.988 -12.626 1.00 0.00 C ATOM 1894 C LYS A 117 21.873 4.639 -13.229 1.00 0.00 C ATOM 1895 O LYS A 117 21.761 4.425 -14.418 1.00 0.00 O ATOM 1896 CB LYS A 117 22.735 6.789 -12.297 1.00 0.00 C ATOM 1897 CG LYS A 117 22.393 8.279 -12.228 1.00 0.00 C ATOM 1898 CD LYS A 117 23.635 9.070 -11.814 1.00 0.00 C ATOM 1899 CE LYS A 117 24.754 8.830 -12.830 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.925 8.214 -12.145 1.00 0.00 N ATOM 0 H LYS A 117 21.090 6.169 -10.530 1.00 0.00 H new ATOM 0 HA LYS A 117 20.866 6.533 -13.348 1.00 0.00 H new ATOM 0 HB2 LYS A 117 23.151 6.457 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.497 6.615 -13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.035 8.626 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.588 8.445 -11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.401 10.133 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.960 8.763 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.401 8.177 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 117 25.045 9.772 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.685 8.051 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.266 8.853 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.642 7.307 -11.721 1.00 0.00 H new ATOM 1914 N THR A 118 22.345 3.734 -12.421 1.00 0.00 N ATOM 1915 CA THR A 118 22.761 2.406 -12.954 1.00 0.00 C ATOM 1916 C THR A 118 21.573 1.721 -13.633 1.00 0.00 C ATOM 1917 O THR A 118 21.734 1.002 -14.599 1.00 0.00 O ATOM 1918 CB THR A 118 23.262 1.531 -11.801 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.820 2.359 -10.790 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.327 0.564 -12.318 1.00 0.00 C ATOM 0 H THR A 118 22.461 3.855 -11.415 1.00 0.00 H new ATOM 0 HA THR A 118 23.558 2.546 -13.684 1.00 0.00 H new ATOM 0 HB THR A 118 22.430 0.962 -11.387 1.00 0.00 H new ATOM 0 HG1 THR A 118 24.140 1.802 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.683 -0.058 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.897 -0.070 -13.094 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.161 1.130 -12.733 1.00 0.00 H new ATOM 1928 N ILE A 119 20.383 1.931 -13.138 1.00 0.00 N ATOM 1929 CA ILE A 119 19.202 1.283 -13.761 1.00 0.00 C ATOM 1930 C ILE A 119 18.917 1.912 -15.125 1.00 0.00 C ATOM 1931 O ILE A 119 18.765 1.226 -16.112 1.00 0.00 O ATOM 1932 CB ILE A 119 17.997 1.468 -12.859 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.340 1.137 -11.395 1.00 0.00 C ATOM 1934 CG2 ILE A 119 16.867 0.554 -13.329 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.494 0.130 -11.316 1.00 0.00 C ATOM 0 H ILE A 119 20.182 2.522 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 119 19.405 0.220 -13.895 1.00 0.00 H new ATOM 0 HB ILE A 119 17.687 2.512 -12.913 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.612 2.050 -10.866 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.462 0.729 -10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.000 0.685 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 119 16.597 0.807 -14.354 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.197 -0.484 -13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.717 -0.087 -10.271 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.209 -0.791 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 119 20.378 0.551 -11.795 1.00 0.00 H new ATOM 1947 N MET A 120 18.840 3.212 -15.185 1.00 0.00 N ATOM 1948 CA MET A 120 18.561 3.885 -16.484 1.00 0.00 C ATOM 1949 C MET A 120 19.625 3.506 -17.501 1.00 0.00 C ATOM 1950 O MET A 120 19.348 3.364 -18.667 1.00 0.00 O ATOM 1951 CB MET A 120 18.566 5.398 -16.280 1.00 0.00 C ATOM 1952 CG MET A 120 17.281 5.810 -15.563 1.00 0.00 C ATOM 1953 SD MET A 120 17.673 6.530 -13.954 1.00 0.00 S ATOM 1954 CE MET A 120 16.135 6.043 -13.134 1.00 0.00 C ATOM 0 H MET A 120 18.958 3.839 -14.389 1.00 0.00 H new ATOM 0 HA MET A 120 17.586 3.568 -16.853 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.436 5.696 -15.694 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.640 5.907 -17.241 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.732 6.531 -16.169 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.633 4.943 -15.434 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.719 6.899 -12.603 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.420 5.695 -13.879 1.00 0.00 H new ATOM 0 HE3 MET A 120 16.339 5.241 -12.425 1.00 0.00 H new ATOM 1964 N ARG A 121 20.834 3.333 -17.080 1.00 0.00 N ATOM 1965 CA ARG A 121 21.886 2.940 -18.053 1.00 0.00 C ATOM 1966 C ARG A 121 21.524 1.565 -18.610 1.00 0.00 C ATOM 1967 O ARG A 121 21.775 1.252 -19.755 1.00 0.00 O ATOM 1968 CB ARG A 121 23.229 2.849 -17.335 1.00 0.00 C ATOM 1969 CG ARG A 121 24.230 3.803 -17.990 1.00 0.00 C ATOM 1970 CD ARG A 121 24.962 4.598 -16.907 1.00 0.00 C ATOM 1971 NE ARG A 121 26.242 5.126 -17.459 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.072 5.767 -16.683 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.209 5.410 -15.435 1.00 0.00 N ATOM 1974 NH2 ARG A 121 27.765 6.767 -17.155 1.00 0.00 N ATOM 0 H ARG A 121 21.144 3.444 -16.115 1.00 0.00 H new ATOM 0 HA ARG A 121 21.954 3.674 -18.856 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.107 3.102 -16.282 1.00 0.00 H new ATOM 0 HB3 ARG A 121 23.606 1.827 -17.376 1.00 0.00 H new ATOM 0 HG2 ARG A 121 24.946 3.240 -18.589 1.00 0.00 H new ATOM 0 HG3 ARG A 121 23.712 4.482 -18.667 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.337 5.420 -16.559 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.160 3.961 -16.045 1.00 0.00 H new ATOM 0 HE ARG A 121 26.469 4.986 -18.444 1.00 0.00 H new ATOM 0 HH11 ARG A 121 26.667 4.629 -15.065 1.00 0.00 H new ATOM 0 HH12 ARG A 121 27.858 5.912 -14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.657 7.047 -18.130 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.414 7.269 -16.549 1.00 0.00 H new ATOM 1988 N GLU A 122 20.941 0.747 -17.781 1.00 0.00 N ATOM 1989 CA GLU A 122 20.548 -0.628 -18.209 1.00 0.00 C ATOM 1990 C GLU A 122 19.378 -0.580 -19.200 1.00 0.00 C ATOM 1991 O GLU A 122 19.422 -1.193 -20.249 1.00 0.00 O ATOM 1992 CB GLU A 122 20.099 -1.421 -16.973 1.00 0.00 C ATOM 1993 CG GLU A 122 21.277 -1.691 -16.019 1.00 0.00 C ATOM 1994 CD GLU A 122 20.732 -1.952 -14.613 1.00 0.00 C ATOM 1995 OE1 GLU A 122 19.632 -2.470 -14.512 1.00 0.00 O ATOM 1996 OE2 GLU A 122 21.423 -1.629 -13.661 1.00 0.00 O ATOM 0 H GLU A 122 20.716 0.973 -16.812 1.00 0.00 H new ATOM 0 HA GLU A 122 21.404 -1.100 -18.691 1.00 0.00 H new ATOM 0 HB2 GLU A 122 19.322 -0.867 -16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 122 19.659 -2.368 -17.287 1.00 0.00 H new ATOM 0 HG2 GLU A 122 21.852 -2.550 -16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 122 21.955 -0.837 -16.007 1.00 0.00 H new ATOM 2003 N LYS A 123 18.326 0.121 -18.877 1.00 0.00 N ATOM 2004 CA LYS A 123 17.157 0.173 -19.809 1.00 0.00 C ATOM 2005 C LYS A 123 17.546 0.923 -21.081 1.00 0.00 C ATOM 2006 O LYS A 123 17.164 0.560 -22.176 1.00 0.00 O ATOM 2007 CB LYS A 123 15.994 0.895 -19.126 1.00 0.00 C ATOM 2008 CG LYS A 123 14.873 1.129 -20.141 1.00 0.00 C ATOM 2009 CD LYS A 123 13.566 0.544 -19.604 1.00 0.00 C ATOM 2010 CE LYS A 123 12.420 0.904 -20.552 1.00 0.00 C ATOM 2011 NZ LYS A 123 12.383 -0.070 -21.679 1.00 0.00 N ATOM 0 H LYS A 123 18.222 0.657 -18.016 1.00 0.00 H new ATOM 0 HA LYS A 123 16.855 -0.842 -20.068 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.624 0.302 -18.290 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.333 1.847 -18.716 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.756 2.196 -20.329 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.128 0.664 -21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.650 -0.539 -19.512 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.363 0.934 -18.606 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.472 0.891 -20.015 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.555 1.915 -20.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.514 0.435 -22.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.144 -0.768 -21.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.464 -0.557 -21.687 1.00 0.00 H new ATOM 2025 N TYR A 124 18.297 1.970 -20.934 1.00 0.00 N ATOM 2026 CA TYR A 124 18.724 2.771 -22.113 1.00 0.00 C ATOM 2027 C TYR A 124 19.732 1.972 -22.944 1.00 0.00 C ATOM 2028 O TYR A 124 19.816 2.119 -24.147 1.00 0.00 O ATOM 2029 CB TYR A 124 19.374 4.072 -21.630 1.00 0.00 C ATOM 2030 CG TYR A 124 19.759 4.917 -22.817 1.00 0.00 C ATOM 2031 CD1 TYR A 124 18.991 4.881 -23.987 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.894 5.732 -22.750 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.362 5.658 -25.091 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.264 6.510 -23.853 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.498 6.471 -25.024 1.00 0.00 C ATOM 2036 OH TYR A 124 20.867 7.234 -26.114 1.00 0.00 O ATOM 0 H TYR A 124 18.640 2.312 -20.036 1.00 0.00 H new ATOM 0 HA TYR A 124 17.855 3.002 -22.730 1.00 0.00 H new ATOM 0 HB2 TYR A 124 18.682 4.620 -20.990 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.255 3.848 -21.029 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.113 4.254 -24.038 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.485 5.761 -21.847 1.00 0.00 H new ATOM 0 HE1 TYR A 124 18.771 5.630 -25.994 1.00 0.00 H new ATOM 0 HE2 TYR A 124 22.140 7.140 -23.801 1.00 0.00 H new ATOM 0 HH TYR A 124 21.630 7.800 -25.874 1.00 0.00 H new ATOM 2046 N SER A 125 20.505 1.132 -22.311 1.00 0.00 N ATOM 2047 CA SER A 125 21.512 0.329 -23.064 1.00 0.00 C ATOM 2048 C SER A 125 20.813 -0.725 -23.928 1.00 0.00 C ATOM 2049 O SER A 125 21.450 -1.454 -24.662 1.00 0.00 O ATOM 2050 CB SER A 125 22.449 -0.369 -22.074 1.00 0.00 C ATOM 2051 OG SER A 125 23.698 0.304 -22.050 1.00 0.00 O ATOM 0 H SER A 125 20.483 0.967 -21.305 1.00 0.00 H new ATOM 0 HA SER A 125 22.084 0.995 -23.710 1.00 0.00 H new ATOM 0 HB2 SER A 125 22.006 -0.372 -21.078 1.00 0.00 H new ATOM 0 HB3 SER A 125 22.590 -1.410 -22.363 1.00 0.00 H new ATOM 0 HG SER A 125 24.297 -0.141 -21.415 1.00 0.00 H new ATOM 2057 N LYS A 126 19.511 -0.818 -23.854 1.00 0.00 N ATOM 2058 CA LYS A 126 18.793 -1.830 -24.678 1.00 0.00 C ATOM 2059 C LYS A 126 18.256 -1.167 -25.947 1.00 0.00 C ATOM 2060 O LYS A 126 17.210 -1.522 -26.449 1.00 0.00 O ATOM 2061 CB LYS A 126 17.628 -2.410 -23.873 1.00 0.00 C ATOM 2062 CG LYS A 126 18.167 -3.061 -22.596 1.00 0.00 C ATOM 2063 CD LYS A 126 18.979 -4.306 -22.961 1.00 0.00 C ATOM 2064 CE LYS A 126 18.953 -5.294 -21.794 1.00 0.00 C ATOM 2065 NZ LYS A 126 20.043 -4.957 -20.833 1.00 0.00 N ATOM 0 H LYS A 126 18.917 -0.239 -23.261 1.00 0.00 H new ATOM 0 HA LYS A 126 19.481 -2.631 -24.950 1.00 0.00 H new ATOM 0 HB2 LYS A 126 16.918 -1.622 -23.621 1.00 0.00 H new ATOM 0 HB3 LYS A 126 17.089 -3.146 -24.470 1.00 0.00 H new ATOM 0 HG2 LYS A 126 18.791 -2.354 -22.050 1.00 0.00 H new ATOM 0 HG3 LYS A 126 17.342 -3.332 -21.937 1.00 0.00 H new ATOM 0 HD2 LYS A 126 18.566 -4.773 -23.855 1.00 0.00 H new ATOM 0 HD3 LYS A 126 20.007 -4.027 -23.192 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.986 -5.255 -21.292 1.00 0.00 H new ATOM 0 HE3 LYS A 126 19.080 -6.312 -22.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 20.026 -5.629 -20.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 20.962 -5.015 -21.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.902 -3.992 -20.473 1.00 0.00 H new