USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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: B 23 GLN : amide:sc= 0.307 K(o=-1.7,f=-3.5!) USER MOD Set 1.2: B 41 TYR OH : rot 37:sc= -1.97! USER MOD Set 2.1: B 15 SER OG : rot 180:sc= 0.00135 USER MOD Set 2.2: B 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 4 ASN : amide:sc= -6.97! C(o=-7!,f=-12!) USER MOD Set 3.2: B 7 GLN : amide:sc= 0 X(o=-7,f=-7) USER MOD Set 4.1: A 7 GLN :FLIP amide:sc= -0.25 F(o=-4.9,f=-4) USER MOD Set 4.2: B 1 MET CE :methyl 173:sc= -3.74! (180deg=-4.1!) USER MOD Set 5.1: A 1 MET CE :methyl -130:sc= -6.08! (180deg=-10.4!) USER MOD Set 5.2: A 43 SER OG : rot 6:sc= -5.11! USER MOD Single : A 1 MET N :NH3+ 126:sc= 0.032 (180deg=0.0013) USER MOD Single : A 4 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.3!) USER MOD Single : A 5 LYS NZ :NH3+ -106:sc= -0.0331 (180deg=-0.573) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -140:sc=0.000187 USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.66! USER MOD Single : A 20 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.5!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.11) USER MOD Single : A 27 MET CE :methyl -170:sc= -10.6! (180deg=-11.9!) USER MOD Single : A 41 TYR OH : rot 90:sc= -2.86! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -115:sc= 0.392 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 21 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.7!) USER MOD Single : B 25 GLN : amide:sc=-0.00376 X(o=-0.0038,f=0) USER MOD Single : B 27 MET CE :methyl 160:sc= -8.49! (180deg=-8.79!) USER MOD Single : B 43 SER OG : rot 56:sc= -9.36! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.137 7.542 -2.696 1.00 0.00 N ATOM 2 CA MET A 1 -1.678 8.488 -3.714 1.00 0.00 C ATOM 3 C MET A 1 -3.127 8.142 -4.043 1.00 0.00 C ATOM 4 O MET A 1 -3.516 6.992 -4.073 1.00 0.00 O ATOM 5 CB MET A 1 -0.792 8.298 -4.948 1.00 0.00 C ATOM 6 CG MET A 1 -1.487 8.853 -6.195 1.00 0.00 C ATOM 7 SD MET A 1 -0.422 10.086 -6.978 1.00 0.00 S ATOM 8 CE MET A 1 0.495 8.932 -8.025 1.00 0.00 C ATOM 0 H1 MET A 1 -0.258 7.115 -3.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.939 8.057 -1.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.836 6.794 -2.511 1.00 0.00 H new ATOM 0 HA MET A 1 -1.669 9.519 -3.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.162 8.804 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.573 7.239 -5.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.702 8.045 -6.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.442 9.302 -5.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.565 9.105 -7.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.259 7.909 -7.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.215 9.085 -9.067 1.00 0.00 H new ATOM 20 N GLU A 2 -3.915 9.136 -4.313 1.00 0.00 N ATOM 21 CA GLU A 2 -5.329 8.900 -4.671 1.00 0.00 C ATOM 22 C GLU A 2 -5.537 9.435 -6.091 1.00 0.00 C ATOM 23 O GLU A 2 -5.726 10.616 -6.303 1.00 0.00 O ATOM 24 CB GLU A 2 -6.119 9.698 -3.628 1.00 0.00 C ATOM 25 CG GLU A 2 -7.487 10.094 -4.177 1.00 0.00 C ATOM 26 CD GLU A 2 -8.130 11.124 -3.247 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.504 12.140 -2.999 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.237 10.877 -2.797 1.00 0.00 O ATOM 0 H GLU A 2 -3.633 10.116 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.639 7.855 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.243 9.102 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.561 10.591 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.382 10.509 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.126 9.215 -4.261 1.00 0.00 H new ATOM 35 N VAL A 3 -5.450 8.582 -7.069 1.00 0.00 N ATOM 36 CA VAL A 3 -5.598 9.052 -8.473 1.00 0.00 C ATOM 37 C VAL A 3 -7.040 8.844 -8.955 1.00 0.00 C ATOM 38 O VAL A 3 -7.801 8.103 -8.368 1.00 0.00 O ATOM 39 CB VAL A 3 -4.619 8.196 -9.277 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.245 8.192 -8.594 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.146 6.768 -9.363 1.00 0.00 C ATOM 0 H VAL A 3 -5.283 7.582 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.388 10.116 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.520 8.612 -10.280 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.553 7.580 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.865 9.212 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.340 7.781 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.449 6.157 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.248 6.357 -8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.118 6.768 -9.856 1.00 0.00 H new ATOM 51 N ASN A 4 -7.423 9.506 -10.014 1.00 0.00 N ATOM 52 CA ASN A 4 -8.821 9.359 -10.529 1.00 0.00 C ATOM 53 C ASN A 4 -8.896 8.250 -11.583 1.00 0.00 C ATOM 54 O ASN A 4 -7.936 7.547 -11.830 1.00 0.00 O ATOM 55 CB ASN A 4 -9.166 10.713 -11.163 1.00 0.00 C ATOM 56 CG ASN A 4 -8.564 11.853 -10.338 1.00 0.00 C ATOM 57 OD1 ASN A 4 -9.102 12.230 -9.316 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.462 12.424 -10.742 1.00 0.00 N ATOM 0 H ASN A 4 -6.830 10.143 -10.547 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.515 9.089 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.785 10.752 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.248 10.830 -11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.054 13.185 -10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.009 12.109 -11.600 1.00 0.00 H new ATOM 65 N LYS A 5 -10.033 8.095 -12.210 1.00 0.00 N ATOM 66 CA LYS A 5 -10.179 7.037 -13.254 1.00 0.00 C ATOM 67 C LYS A 5 -9.121 7.217 -14.340 1.00 0.00 C ATOM 68 O LYS A 5 -8.600 6.261 -14.879 1.00 0.00 O ATOM 69 CB LYS A 5 -11.578 7.243 -13.832 1.00 0.00 C ATOM 70 CG LYS A 5 -12.001 5.989 -14.599 1.00 0.00 C ATOM 71 CD LYS A 5 -12.820 5.079 -13.681 1.00 0.00 C ATOM 72 CE LYS A 5 -14.160 5.745 -13.354 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.964 5.623 -14.601 1.00 0.00 N ATOM 0 H LYS A 5 -10.868 8.656 -12.044 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.049 6.034 -12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.288 7.449 -13.031 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.586 8.108 -14.495 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.590 6.266 -15.473 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.121 5.459 -14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.990 4.117 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.268 4.881 -12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.653 5.251 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.024 6.789 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.019 6.549 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.513 4.937 -15.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.923 5.297 -14.365 1.00 0.00 H new ATOM 87 N LYS A 6 -8.797 8.436 -14.663 1.00 0.00 N ATOM 88 CA LYS A 6 -7.770 8.676 -15.712 1.00 0.00 C ATOM 89 C LYS A 6 -6.383 8.425 -15.130 1.00 0.00 C ATOM 90 O LYS A 6 -5.653 7.568 -15.586 1.00 0.00 O ATOM 91 CB LYS A 6 -7.935 10.146 -16.104 1.00 0.00 C ATOM 92 CG LYS A 6 -9.421 10.476 -16.263 1.00 0.00 C ATOM 93 CD LYS A 6 -9.691 10.931 -17.698 1.00 0.00 C ATOM 94 CE LYS A 6 -10.131 12.396 -17.696 1.00 0.00 C ATOM 95 NZ LYS A 6 -9.114 13.101 -18.524 1.00 0.00 N ATOM 0 H LYS A 6 -9.198 9.276 -14.246 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.885 8.018 -16.573 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.490 10.787 -15.343 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.407 10.345 -17.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.026 9.601 -16.028 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.708 11.260 -15.562 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.793 10.811 -18.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.464 10.309 -18.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.130 12.509 -18.116 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.164 12.798 -16.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.346 14.114 -18.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.174 12.981 -18.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.111 12.702 -19.484 1.00 0.00 H new ATOM 109 N GLN A 7 -6.018 9.158 -14.118 1.00 0.00 N ATOM 110 CA GLN A 7 -4.683 8.947 -13.503 1.00 0.00 C ATOM 111 C GLN A 7 -4.508 7.471 -13.149 1.00 0.00 C ATOM 112 O GLN A 7 -3.451 6.912 -13.321 1.00 0.00 O ATOM 113 CB GLN A 7 -4.683 9.801 -12.236 1.00 0.00 C ATOM 114 CG GLN A 7 -4.878 11.269 -12.604 1.00 0.00 C ATOM 115 CD GLN A 7 -3.892 11.656 -13.707 1.00 0.00 C ATOM 116 OE1 GLN A 7 -2.624 11.769 -13.421 1.00 0.00 O flip ATOM 117 NE2 GLN A 7 -4.278 11.852 -14.841 1.00 0.00 N flip ATOM 0 H GLN A 7 -6.585 9.891 -13.692 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.869 9.222 -14.174 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.479 9.475 -11.567 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.743 9.673 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.901 11.437 -12.941 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.724 11.898 -11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.269 11.764 -15.065 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.611 12.105 -15.570 1.00 0.00 H new ATOM 126 N LEU A 8 -5.539 6.832 -12.665 1.00 0.00 N ATOM 127 CA LEU A 8 -5.416 5.389 -12.310 1.00 0.00 C ATOM 128 C LEU A 8 -5.132 4.574 -13.571 1.00 0.00 C ATOM 129 O LEU A 8 -4.184 3.815 -13.630 1.00 0.00 O ATOM 130 CB LEU A 8 -6.774 5.008 -11.706 1.00 0.00 C ATOM 131 CG LEU A 8 -6.997 3.497 -11.819 1.00 0.00 C ATOM 132 CD1 LEU A 8 -5.839 2.756 -11.149 1.00 0.00 C ATOM 133 CD2 LEU A 8 -8.309 3.126 -11.126 1.00 0.00 C ATOM 0 H LEU A 8 -6.457 7.245 -12.501 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.601 5.195 -11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.813 5.312 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.572 5.541 -12.223 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.046 3.214 -12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.999 1.681 -11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.904 3.022 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.788 3.037 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.471 2.051 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.258 3.409 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.135 3.653 -11.604 1.00 0.00 H new ATOM 145 N ALA A 9 -5.935 4.733 -14.588 1.00 0.00 N ATOM 146 CA ALA A 9 -5.681 3.971 -15.844 1.00 0.00 C ATOM 147 C ALA A 9 -4.348 4.436 -16.427 1.00 0.00 C ATOM 148 O ALA A 9 -3.653 3.700 -17.100 1.00 0.00 O ATOM 149 CB ALA A 9 -6.835 4.329 -16.780 1.00 0.00 C ATOM 0 H ALA A 9 -6.747 5.350 -14.605 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.627 2.894 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.713 3.802 -17.726 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.780 4.036 -16.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.837 5.404 -16.961 1.00 0.00 H new ATOM 155 N ASP A 10 -3.990 5.662 -16.154 1.00 0.00 N ATOM 156 CA ASP A 10 -2.701 6.210 -16.664 1.00 0.00 C ATOM 157 C ASP A 10 -1.539 5.699 -15.811 1.00 0.00 C ATOM 158 O ASP A 10 -0.572 5.166 -16.319 1.00 0.00 O ATOM 159 CB ASP A 10 -2.837 7.727 -16.525 1.00 0.00 C ATOM 160 CG ASP A 10 -3.236 8.329 -17.873 1.00 0.00 C ATOM 161 OD1 ASP A 10 -2.828 7.785 -18.886 1.00 0.00 O ATOM 162 OD2 ASP A 10 -3.942 9.323 -17.869 1.00 0.00 O ATOM 0 H ASP A 10 -4.541 6.313 -15.594 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.500 5.909 -17.692 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.586 7.968 -15.771 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.895 8.158 -16.187 1.00 0.00 H new ATOM 167 N ILE A 11 -1.626 5.854 -14.519 1.00 0.00 N ATOM 168 CA ILE A 11 -0.528 5.372 -13.639 1.00 0.00 C ATOM 169 C ILE A 11 -0.292 3.883 -13.889 1.00 0.00 C ATOM 170 O ILE A 11 0.793 3.371 -13.697 1.00 0.00 O ATOM 171 CB ILE A 11 -1.015 5.667 -12.208 1.00 0.00 C ATOM 172 CG1 ILE A 11 0.092 6.324 -11.433 1.00 0.00 C ATOM 173 CG2 ILE A 11 -1.381 4.398 -11.453 1.00 0.00 C ATOM 174 CD1 ILE A 11 -0.478 6.819 -10.107 1.00 0.00 C ATOM 0 H ILE A 11 -2.410 6.293 -14.036 1.00 0.00 H new ATOM 0 HA ILE A 11 0.429 5.860 -13.824 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.895 6.304 -12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.903 5.618 -11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.511 7.155 -12.000 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.719 4.656 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.180 3.878 -11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.507 3.750 -11.386 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.311 7.300 -9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.276 7.536 -10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.877 5.975 -9.545 1.00 0.00 H new ATOM 186 N PHE A 12 -1.293 3.187 -14.331 1.00 0.00 N ATOM 187 CA PHE A 12 -1.110 1.740 -14.610 1.00 0.00 C ATOM 188 C PHE A 12 -0.969 1.518 -16.113 1.00 0.00 C ATOM 189 O PHE A 12 -0.840 0.402 -16.575 1.00 0.00 O ATOM 190 CB PHE A 12 -2.375 1.056 -14.101 1.00 0.00 C ATOM 191 CG PHE A 12 -2.420 1.035 -12.589 1.00 0.00 C ATOM 192 CD1 PHE A 12 -1.451 1.692 -11.816 1.00 0.00 C ATOM 193 CD2 PHE A 12 -3.453 0.347 -11.961 1.00 0.00 C ATOM 194 CE1 PHE A 12 -1.535 1.655 -10.417 1.00 0.00 C ATOM 195 CE2 PHE A 12 -3.535 0.305 -10.572 1.00 0.00 C ATOM 196 CZ PHE A 12 -2.581 0.960 -9.796 1.00 0.00 C ATOM 0 H PHE A 12 -2.228 3.553 -14.511 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.216 1.344 -14.128 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.252 1.577 -14.486 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.417 0.036 -14.482 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.643 2.224 -12.297 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.198 -0.159 -12.557 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.793 2.162 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.339 -0.236 -10.095 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.648 0.932 -8.718 1.00 0.00 H new ATOM 206 N GLY A 13 -1.004 2.571 -16.885 1.00 0.00 N ATOM 207 CA GLY A 13 -0.879 2.410 -18.357 1.00 0.00 C ATOM 208 C GLY A 13 -2.067 1.605 -18.875 1.00 0.00 C ATOM 209 O GLY A 13 -2.096 1.182 -20.013 1.00 0.00 O ATOM 0 H GLY A 13 -1.113 3.531 -16.559 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.847 3.386 -18.840 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.054 1.903 -18.602 1.00 0.00 H new ATOM 213 N ALA A 14 -3.054 1.392 -18.046 1.00 0.00 N ATOM 214 CA ALA A 14 -4.240 0.620 -18.492 1.00 0.00 C ATOM 215 C ALA A 14 -5.169 1.533 -19.283 1.00 0.00 C ATOM 216 O ALA A 14 -4.870 2.686 -19.524 1.00 0.00 O ATOM 217 CB ALA A 14 -4.944 0.168 -17.207 1.00 0.00 C ATOM 0 H ALA A 14 -3.086 1.721 -17.081 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.965 -0.223 -19.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.832 -0.410 -17.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.266 -0.450 -16.619 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.235 1.042 -16.625 1.00 0.00 H new ATOM 223 N SER A 15 -6.313 1.042 -19.646 1.00 0.00 N ATOM 224 CA SER A 15 -7.286 1.893 -20.369 1.00 0.00 C ATOM 225 C SER A 15 -8.428 2.182 -19.411 1.00 0.00 C ATOM 226 O SER A 15 -8.903 1.310 -18.716 1.00 0.00 O ATOM 227 CB SER A 15 -7.759 1.074 -21.563 1.00 0.00 C ATOM 228 OG SER A 15 -6.741 1.055 -22.553 1.00 0.00 O ATOM 0 H SER A 15 -6.618 0.084 -19.473 1.00 0.00 H new ATOM 0 HA SER A 15 -6.869 2.840 -20.713 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.996 0.057 -21.250 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.673 1.503 -21.973 1.00 0.00 H new ATOM 0 HG SER A 15 -7.147 1.139 -23.441 1.00 0.00 H new ATOM 234 N ILE A 16 -8.849 3.397 -19.338 1.00 0.00 N ATOM 235 CA ILE A 16 -9.939 3.723 -18.381 1.00 0.00 C ATOM 236 C ILE A 16 -11.092 2.741 -18.557 1.00 0.00 C ATOM 237 O ILE A 16 -11.764 2.385 -17.609 1.00 0.00 O ATOM 238 CB ILE A 16 -10.374 5.151 -18.699 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.125 6.017 -18.971 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.150 5.684 -17.496 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.285 7.420 -18.383 1.00 0.00 C ATOM 0 H ILE A 16 -8.496 4.179 -19.890 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.609 3.646 -17.345 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.008 5.179 -19.585 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.246 5.537 -18.540 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.955 6.087 -20.045 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.474 6.705 -17.696 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.022 5.055 -17.318 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.508 5.673 -16.615 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.390 8.006 -18.591 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.150 7.907 -18.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.430 7.348 -17.305 1.00 0.00 H new ATOM 253 N ARG A 17 -11.309 2.269 -19.751 1.00 0.00 N ATOM 254 CA ARG A 17 -12.397 1.282 -19.955 1.00 0.00 C ATOM 255 C ARG A 17 -12.082 0.067 -19.075 1.00 0.00 C ATOM 256 O ARG A 17 -12.962 -0.609 -18.581 1.00 0.00 O ATOM 257 CB ARG A 17 -12.360 0.979 -21.459 1.00 0.00 C ATOM 258 CG ARG A 17 -11.734 -0.382 -21.729 1.00 0.00 C ATOM 259 CD ARG A 17 -10.248 -0.284 -21.440 1.00 0.00 C ATOM 260 NE ARG A 17 -9.582 -0.461 -22.760 1.00 0.00 N ATOM 261 CZ ARG A 17 -9.100 -1.626 -23.094 1.00 0.00 C ATOM 262 NH1 ARG A 17 -9.794 -2.707 -22.870 1.00 0.00 N ATOM 263 NH2 ARG A 17 -7.922 -1.709 -23.651 1.00 0.00 N ATOM 0 H ARG A 17 -10.783 2.523 -20.587 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.396 1.618 -19.677 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.372 1.004 -21.863 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.792 1.753 -21.975 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.194 -1.144 -21.100 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.901 -0.679 -22.764 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.995 0.680 -20.997 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.933 -1.052 -20.733 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.503 0.328 -23.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.714 -2.641 -22.434 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.417 -3.618 -23.131 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.379 -0.863 -23.825 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.545 -2.620 -23.912 1.00 0.00 H new ATOM 277 N THR A 18 -10.817 -0.168 -18.838 1.00 0.00 N ATOM 278 CA THR A 18 -10.415 -1.288 -17.940 1.00 0.00 C ATOM 279 C THR A 18 -10.724 -0.847 -16.517 1.00 0.00 C ATOM 280 O THR A 18 -11.201 -1.609 -15.701 1.00 0.00 O ATOM 281 CB THR A 18 -8.904 -1.477 -18.128 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.630 -1.878 -19.462 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.395 -2.552 -17.164 1.00 0.00 C ATOM 0 H THR A 18 -10.044 0.370 -19.230 1.00 0.00 H new ATOM 0 HA THR A 18 -10.936 -2.221 -18.154 1.00 0.00 H new ATOM 0 HB THR A 18 -8.400 -0.532 -17.922 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.664 -1.995 -19.576 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.322 -2.684 -17.300 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.596 -2.245 -16.138 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.905 -3.494 -17.367 1.00 0.00 H new ATOM 291 N ILE A 19 -10.485 0.408 -16.229 1.00 0.00 N ATOM 292 CA ILE A 19 -10.801 0.924 -14.877 1.00 0.00 C ATOM 293 C ILE A 19 -12.302 0.788 -14.656 1.00 0.00 C ATOM 294 O ILE A 19 -12.765 0.522 -13.564 1.00 0.00 O ATOM 295 CB ILE A 19 -10.400 2.397 -14.890 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.932 2.535 -15.303 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.592 2.980 -13.492 1.00 0.00 C ATOM 298 CD1 ILE A 19 -8.056 1.690 -14.379 1.00 0.00 C ATOM 0 H ILE A 19 -10.086 1.090 -16.874 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.281 0.386 -14.085 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.023 2.935 -15.605 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.803 2.214 -16.337 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.627 3.580 -15.254 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.307 4.032 -13.494 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.638 2.888 -13.200 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.968 2.437 -12.782 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.012 1.790 -14.675 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.176 2.032 -13.351 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.355 0.644 -14.451 1.00 0.00 H new ATOM 310 N GLN A 20 -13.064 0.936 -15.706 1.00 0.00 N ATOM 311 CA GLN A 20 -14.531 0.781 -15.587 1.00 0.00 C ATOM 312 C GLN A 20 -14.814 -0.685 -15.306 1.00 0.00 C ATOM 313 O GLN A 20 -15.838 -1.049 -14.764 1.00 0.00 O ATOM 314 CB GLN A 20 -15.090 1.195 -16.948 1.00 0.00 C ATOM 315 CG GLN A 20 -14.651 2.626 -17.262 1.00 0.00 C ATOM 316 CD GLN A 20 -15.884 3.519 -17.401 1.00 0.00 C ATOM 317 OE1 GLN A 20 -16.950 3.181 -16.926 1.00 0.00 O ATOM 318 NE2 GLN A 20 -15.784 4.655 -18.035 1.00 0.00 N ATOM 0 H GLN A 20 -12.726 1.159 -16.642 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.976 1.378 -14.791 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.734 0.515 -17.722 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.178 1.129 -16.942 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.004 3.002 -16.469 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.069 2.645 -18.184 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.889 4.939 -18.434 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.600 5.259 -18.132 1.00 0.00 H new ATOM 327 N ASN A 21 -13.883 -1.529 -15.660 1.00 0.00 N ATOM 328 CA ASN A 21 -14.055 -2.977 -15.403 1.00 0.00 C ATOM 329 C ASN A 21 -13.475 -3.301 -14.031 1.00 0.00 C ATOM 330 O ASN A 21 -13.913 -4.207 -13.349 1.00 0.00 O ATOM 331 CB ASN A 21 -13.270 -3.675 -16.512 1.00 0.00 C ATOM 332 CG ASN A 21 -13.618 -5.164 -16.525 1.00 0.00 C ATOM 333 OD1 ASN A 21 -14.566 -5.573 -17.166 1.00 0.00 O ATOM 334 ND2 ASN A 21 -12.885 -5.998 -15.839 1.00 0.00 N ATOM 0 H ASN A 21 -13.009 -1.271 -16.118 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.098 -3.295 -15.403 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.507 -3.227 -17.477 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.200 -3.542 -16.353 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.108 -6.993 -15.841 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.089 -5.654 -15.301 1.00 0.00 H new ATOM 341 N TRP A 22 -12.503 -2.539 -13.616 1.00 0.00 N ATOM 342 CA TRP A 22 -11.893 -2.759 -12.281 1.00 0.00 C ATOM 343 C TRP A 22 -12.910 -2.406 -11.199 1.00 0.00 C ATOM 344 O TRP A 22 -13.173 -3.182 -10.303 1.00 0.00 O ATOM 345 CB TRP A 22 -10.714 -1.798 -12.232 1.00 0.00 C ATOM 346 CG TRP A 22 -9.606 -2.287 -13.105 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.629 -3.395 -13.883 1.00 0.00 C ATOM 348 CD2 TRP A 22 -8.302 -1.690 -13.281 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.402 -3.509 -14.524 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.554 -2.477 -14.184 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.705 -0.546 -12.742 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -6.250 -2.134 -14.540 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -6.398 -0.196 -13.096 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.672 -0.990 -13.995 1.00 0.00 C ATOM 0 H TRP A 22 -12.103 -1.768 -14.151 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.584 -3.792 -12.119 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.031 -0.807 -12.557 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.360 -1.699 -11.206 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.461 -4.075 -13.988 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.159 -4.263 -15.167 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.257 0.071 -12.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.694 -2.749 -15.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.946 0.690 -12.675 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.663 -0.714 -14.265 1.00 0.00 H new ATOM 365 N GLN A 23 -13.484 -1.235 -11.275 1.00 0.00 N ATOM 366 CA GLN A 23 -14.481 -0.832 -10.256 1.00 0.00 C ATOM 367 C GLN A 23 -15.485 -1.963 -10.061 1.00 0.00 C ATOM 368 O GLN A 23 -16.103 -2.091 -9.023 1.00 0.00 O ATOM 369 CB GLN A 23 -15.156 0.403 -10.845 1.00 0.00 C ATOM 370 CG GLN A 23 -15.517 1.364 -9.718 1.00 0.00 C ATOM 371 CD GLN A 23 -16.997 1.740 -9.816 1.00 0.00 C ATOM 372 OE1 GLN A 23 -17.348 2.710 -10.457 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.886 1.007 -9.202 1.00 0.00 N ATOM 0 H GLN A 23 -13.302 -0.543 -12.002 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.040 -0.622 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.490 0.892 -11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.052 0.115 -11.394 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.313 0.901 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.899 2.260 -9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.591 0.192 -8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.875 1.249 -9.261 1.00 0.00 H new ATOM 382 N GLU A 24 -15.646 -2.789 -11.059 1.00 0.00 N ATOM 383 CA GLU A 24 -16.607 -3.922 -10.933 1.00 0.00 C ATOM 384 C GLU A 24 -15.852 -5.231 -10.695 1.00 0.00 C ATOM 385 O GLU A 24 -16.421 -6.303 -10.730 1.00 0.00 O ATOM 386 CB GLU A 24 -17.353 -3.963 -12.268 1.00 0.00 C ATOM 387 CG GLU A 24 -18.237 -2.721 -12.400 1.00 0.00 C ATOM 388 CD GLU A 24 -19.640 -3.036 -11.878 1.00 0.00 C ATOM 389 OE1 GLU A 24 -20.101 -4.141 -12.108 1.00 0.00 O ATOM 390 OE2 GLU A 24 -20.227 -2.166 -11.256 1.00 0.00 O ATOM 0 H GLU A 24 -15.156 -2.729 -11.952 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.289 -3.793 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.641 -4.005 -13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.963 -4.864 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.806 -1.893 -11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.287 -2.406 -13.442 1.00 0.00 H new ATOM 397 N GLN A 25 -14.574 -5.150 -10.446 1.00 0.00 N ATOM 398 CA GLN A 25 -13.781 -6.386 -10.195 1.00 0.00 C ATOM 399 C GLN A 25 -13.489 -6.521 -8.701 1.00 0.00 C ATOM 400 O GLN A 25 -12.765 -7.398 -8.274 1.00 0.00 O ATOM 401 CB GLN A 25 -12.485 -6.192 -10.979 1.00 0.00 C ATOM 402 CG GLN A 25 -12.732 -6.531 -12.447 1.00 0.00 C ATOM 403 CD GLN A 25 -12.429 -8.011 -12.684 1.00 0.00 C ATOM 404 OE1 GLN A 25 -13.238 -8.728 -13.238 1.00 0.00 O ATOM 405 NE2 GLN A 25 -11.288 -8.501 -12.284 1.00 0.00 N ATOM 0 H GLN A 25 -14.044 -4.280 -10.405 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.309 -7.289 -10.502 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.139 -5.163 -10.884 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.701 -6.831 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.766 -6.313 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.101 -5.912 -13.086 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.609 -7.898 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.075 -9.487 -12.436 1.00 0.00 H new ATOM 414 N GLY A 26 -14.046 -5.654 -7.903 1.00 0.00 N ATOM 415 CA GLY A 26 -13.801 -5.729 -6.438 1.00 0.00 C ATOM 416 C GLY A 26 -12.560 -4.918 -6.087 1.00 0.00 C ATOM 417 O GLY A 26 -11.742 -5.338 -5.293 1.00 0.00 O ATOM 0 H GLY A 26 -14.660 -4.897 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.664 -5.346 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.668 -6.767 -6.134 1.00 0.00 H new ATOM 421 N MET A 27 -12.390 -3.771 -6.682 1.00 0.00 N ATOM 422 CA MET A 27 -11.172 -2.974 -6.372 1.00 0.00 C ATOM 423 C MET A 27 -11.430 -1.942 -5.272 1.00 0.00 C ATOM 424 O MET A 27 -12.544 -1.507 -5.060 1.00 0.00 O ATOM 425 CB MET A 27 -10.811 -2.293 -7.691 1.00 0.00 C ATOM 426 CG MET A 27 -11.472 -0.923 -7.774 1.00 0.00 C ATOM 427 SD MET A 27 -11.529 -0.419 -9.496 1.00 0.00 S ATOM 428 CE MET A 27 -10.716 1.162 -9.275 1.00 0.00 C ATOM 0 H MET A 27 -13.030 -3.356 -7.359 1.00 0.00 H new ATOM 0 HA MET A 27 -10.366 -3.602 -5.993 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.729 -2.188 -7.770 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.134 -2.912 -8.528 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.479 -0.963 -7.358 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.912 -0.196 -7.185 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.795 1.743 -10.194 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.193 1.706 -8.460 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.665 1.000 -9.037 1.00 0.00 H new ATOM 438 N PRO A 28 -10.358 -1.580 -4.628 1.00 0.00 N ATOM 439 CA PRO A 28 -10.410 -0.578 -3.551 1.00 0.00 C ATOM 440 C PRO A 28 -10.331 0.832 -4.143 1.00 0.00 C ATOM 441 O PRO A 28 -9.259 1.372 -4.353 1.00 0.00 O ATOM 442 CB PRO A 28 -9.167 -0.888 -2.725 1.00 0.00 C ATOM 443 CG PRO A 28 -8.211 -1.560 -3.669 1.00 0.00 C ATOM 444 CD PRO A 28 -9.001 -2.084 -4.845 1.00 0.00 C ATOM 0 HA PRO A 28 -11.328 -0.615 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.734 0.023 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.408 -1.537 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.450 -0.856 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.691 -2.375 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.591 -1.727 -5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.983 -3.173 -4.882 1.00 0.00 H new ATOM 452 N VAL A 29 -11.454 1.441 -4.402 1.00 0.00 N ATOM 453 CA VAL A 29 -11.423 2.822 -4.957 1.00 0.00 C ATOM 454 C VAL A 29 -11.502 3.816 -3.788 1.00 0.00 C ATOM 455 O VAL A 29 -12.245 3.627 -2.845 1.00 0.00 O ATOM 456 CB VAL A 29 -12.589 2.955 -5.966 1.00 0.00 C ATOM 457 CG1 VAL A 29 -13.391 1.671 -6.079 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.518 4.073 -5.559 1.00 0.00 C ATOM 0 H VAL A 29 -12.383 1.047 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.500 3.040 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.142 3.174 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.199 1.809 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.740 0.864 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.810 1.417 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.331 4.151 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.928 3.864 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.966 5.013 -5.531 1.00 0.00 H new ATOM 468 N LEU A 30 -10.714 4.852 -3.834 1.00 0.00 N ATOM 469 CA LEU A 30 -10.694 5.850 -2.721 1.00 0.00 C ATOM 470 C LEU A 30 -12.108 6.256 -2.302 1.00 0.00 C ATOM 471 O LEU A 30 -12.589 5.870 -1.255 1.00 0.00 O ATOM 472 CB LEU A 30 -9.931 7.048 -3.300 1.00 0.00 C ATOM 473 CG LEU A 30 -8.578 7.242 -2.589 1.00 0.00 C ATOM 474 CD1 LEU A 30 -8.777 8.062 -1.318 1.00 0.00 C ATOM 475 CD2 LEU A 30 -7.962 5.889 -2.242 1.00 0.00 C ATOM 0 H LEU A 30 -10.075 5.055 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.227 5.448 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.766 6.897 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.533 7.951 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.901 7.773 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.818 8.197 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.193 9.036 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.463 7.539 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.007 6.042 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.635 5.341 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.804 5.316 -3.156 1.00 0.00 H new ATOM 606 N LEU A 40 -12.616 7.827 -6.515 1.00 0.00 N ATOM 607 CA LEU A 40 -11.152 7.983 -6.727 1.00 0.00 C ATOM 608 C LEU A 40 -10.507 6.605 -6.614 1.00 0.00 C ATOM 609 O LEU A 40 -11.191 5.603 -6.557 1.00 0.00 O ATOM 610 CB LEU A 40 -10.661 8.927 -5.622 1.00 0.00 C ATOM 611 CG LEU A 40 -10.245 10.267 -6.236 1.00 0.00 C ATOM 612 CD1 LEU A 40 -8.934 10.093 -7.005 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.331 10.762 -7.191 1.00 0.00 C ATOM 0 HA LEU A 40 -10.900 8.393 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.450 9.082 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.818 8.479 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.108 10.997 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.639 11.047 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.156 9.749 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.072 9.358 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.028 11.715 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.476 10.032 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.265 10.892 -6.644 1.00 0.00 H new ATOM 625 N TYR A 41 -9.214 6.527 -6.613 1.00 0.00 N ATOM 626 CA TYR A 41 -8.575 5.187 -6.540 1.00 0.00 C ATOM 627 C TYR A 41 -7.294 5.217 -5.715 1.00 0.00 C ATOM 628 O TYR A 41 -6.396 5.994 -5.976 1.00 0.00 O ATOM 629 CB TYR A 41 -8.263 4.857 -7.993 1.00 0.00 C ATOM 630 CG TYR A 41 -9.555 4.800 -8.762 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.511 3.844 -8.427 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.800 5.697 -9.809 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.710 3.770 -9.137 1.00 0.00 C ATOM 634 CE2 TYR A 41 -11.004 5.627 -10.518 1.00 0.00 C ATOM 635 CZ TYR A 41 -11.960 4.660 -10.184 1.00 0.00 C ATOM 636 OH TYR A 41 -13.140 4.579 -10.895 1.00 0.00 O ATOM 0 H TYR A 41 -8.575 7.320 -6.659 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.218 4.451 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.603 5.612 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.741 3.903 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.324 3.157 -7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.061 6.441 -10.069 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.446 3.023 -8.877 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.196 6.320 -11.324 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.818 5.145 -10.470 1.00 0.00 H new ATOM 646 N ASP A 42 -7.181 4.359 -4.736 1.00 0.00 N ATOM 647 CA ASP A 42 -5.924 4.347 -3.940 1.00 0.00 C ATOM 648 C ASP A 42 -4.793 3.937 -4.870 1.00 0.00 C ATOM 649 O ASP A 42 -4.496 2.770 -5.003 1.00 0.00 O ATOM 650 CB ASP A 42 -6.072 3.279 -2.852 1.00 0.00 C ATOM 651 CG ASP A 42 -7.509 3.160 -2.334 1.00 0.00 C ATOM 652 OD1 ASP A 42 -8.416 3.110 -3.144 1.00 0.00 O ATOM 653 OD2 ASP A 42 -7.677 3.118 -1.127 1.00 0.00 O ATOM 0 H ASP A 42 -7.890 3.680 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.723 5.322 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.752 2.315 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.409 3.518 -2.021 1.00 0.00 H new ATOM 658 N SER A 43 -4.181 4.877 -5.528 1.00 0.00 N ATOM 659 CA SER A 43 -3.078 4.539 -6.468 1.00 0.00 C ATOM 660 C SER A 43 -2.287 3.327 -5.980 1.00 0.00 C ATOM 661 O SER A 43 -1.856 2.519 -6.766 1.00 0.00 O ATOM 662 CB SER A 43 -2.191 5.780 -6.494 1.00 0.00 C ATOM 663 OG SER A 43 -1.486 5.833 -7.728 1.00 0.00 O ATOM 0 H SER A 43 -4.398 5.871 -5.456 1.00 0.00 H new ATOM 0 HA SER A 43 -3.457 4.278 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.798 6.677 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.488 5.755 -5.662 1.00 0.00 H new ATOM 0 HG SER A 43 -1.800 5.114 -8.316 1.00 0.00 H new ATOM 669 N ALA A 44 -2.101 3.178 -4.698 1.00 0.00 N ATOM 670 CA ALA A 44 -1.330 1.989 -4.207 1.00 0.00 C ATOM 671 C ALA A 44 -2.268 0.832 -3.883 1.00 0.00 C ATOM 672 O ALA A 44 -2.050 -0.291 -4.295 1.00 0.00 O ATOM 673 CB ALA A 44 -0.578 2.448 -2.963 1.00 0.00 C ATOM 0 H ALA A 44 -2.441 3.813 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.640 1.626 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.003 1.618 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.092 3.267 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.291 2.788 -2.212 1.00 0.00 H new ATOM 679 N ALA A 45 -3.323 1.087 -3.169 1.00 0.00 N ATOM 680 CA ALA A 45 -4.265 -0.013 -2.861 1.00 0.00 C ATOM 681 C ALA A 45 -4.850 -0.490 -4.180 1.00 0.00 C ATOM 682 O ALA A 45 -5.261 -1.625 -4.332 1.00 0.00 O ATOM 683 CB ALA A 45 -5.343 0.599 -1.968 1.00 0.00 C ATOM 0 H ALA A 45 -3.571 2.001 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.800 -0.861 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.074 -0.165 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.884 0.992 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.842 1.408 -2.502 1.00 0.00 H new ATOM 689 N VAL A 46 -4.866 0.387 -5.146 1.00 0.00 N ATOM 690 CA VAL A 46 -5.394 0.024 -6.483 1.00 0.00 C ATOM 691 C VAL A 46 -4.419 -0.920 -7.186 1.00 0.00 C ATOM 692 O VAL A 46 -4.804 -1.701 -8.028 1.00 0.00 O ATOM 693 CB VAL A 46 -5.495 1.337 -7.263 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.762 1.037 -8.734 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.644 2.177 -6.733 1.00 0.00 C ATOM 0 H VAL A 46 -4.532 1.347 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.358 -0.480 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.557 1.880 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.834 1.972 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.946 0.438 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.698 0.486 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.704 3.108 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.578 1.626 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.475 2.401 -5.680 1.00 0.00 H new ATOM 705 N ILE A 47 -3.153 -0.858 -6.861 1.00 0.00 N ATOM 706 CA ILE A 47 -2.195 -1.782 -7.557 1.00 0.00 C ATOM 707 C ILE A 47 -2.082 -3.114 -6.825 1.00 0.00 C ATOM 708 O ILE A 47 -2.253 -4.160 -7.419 1.00 0.00 O ATOM 709 CB ILE A 47 -0.825 -1.110 -7.659 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.790 0.215 -6.913 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.567 -0.863 -9.135 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.428 1.035 -7.345 1.00 0.00 C ATOM 0 H ILE A 47 -2.746 -0.231 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.574 -1.988 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.066 -1.752 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.703 0.776 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.753 0.035 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.404 -0.383 -9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.573 -1.813 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.346 -0.216 -9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.441 1.981 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.339 0.478 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.373 1.231 -8.416 1.00 0.00 H new ATOM 724 N LYS A 48 -1.808 -3.100 -5.553 1.00 0.00 N ATOM 725 CA LYS A 48 -1.707 -4.387 -4.819 1.00 0.00 C ATOM 726 C LYS A 48 -2.898 -5.261 -5.224 1.00 0.00 C ATOM 727 O LYS A 48 -2.807 -6.469 -5.326 1.00 0.00 O ATOM 728 CB LYS A 48 -1.777 -3.998 -3.338 1.00 0.00 C ATOM 729 CG LYS A 48 -2.334 -5.164 -2.514 1.00 0.00 C ATOM 730 CD LYS A 48 -1.754 -5.115 -1.103 1.00 0.00 C ATOM 731 CE LYS A 48 -2.248 -3.854 -0.392 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.358 -4.321 0.481 1.00 0.00 N ATOM 0 H LYS A 48 -1.651 -2.261 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.797 -4.948 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.784 -3.729 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.410 -3.119 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.422 -5.107 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.082 -6.112 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.054 -6.002 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.665 -5.118 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.452 -3.392 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.594 -3.107 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.752 -3.513 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.103 -4.750 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.997 -5.027 1.154 1.00 0.00 H new ATOM 746 N TRP A 49 -4.007 -4.626 -5.477 1.00 0.00 N ATOM 747 CA TRP A 49 -5.231 -5.361 -5.905 1.00 0.00 C ATOM 748 C TRP A 49 -5.209 -5.543 -7.429 1.00 0.00 C ATOM 749 O TRP A 49 -5.773 -6.479 -7.958 1.00 0.00 O ATOM 750 CB TRP A 49 -6.383 -4.460 -5.459 1.00 0.00 C ATOM 751 CG TRP A 49 -7.600 -4.712 -6.294 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.689 -5.400 -5.888 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.866 -4.286 -7.658 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.620 -5.409 -6.915 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.154 -4.734 -8.028 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.122 -3.555 -8.600 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.682 -4.460 -9.291 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.650 -3.284 -9.870 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.929 -3.734 -10.212 1.00 0.00 C ATOM 0 H TRP A 49 -4.120 -3.615 -5.405 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.316 -6.359 -5.476 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.611 -4.644 -4.409 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.088 -3.414 -5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.814 -5.866 -4.922 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.534 -5.857 -6.857 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.135 -3.199 -8.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.670 -4.809 -9.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.067 -2.725 -10.587 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.333 -3.519 -11.190 1.00 0.00 H new ATOM 770 N TYR A 50 -4.546 -4.662 -8.139 1.00 0.00 N ATOM 771 CA TYR A 50 -4.473 -4.800 -9.616 1.00 0.00 C ATOM 772 C TYR A 50 -3.414 -5.847 -9.946 1.00 0.00 C ATOM 773 O TYR A 50 -3.619 -6.724 -10.758 1.00 0.00 O ATOM 774 CB TYR A 50 -4.101 -3.388 -10.095 1.00 0.00 C ATOM 775 CG TYR A 50 -3.202 -3.391 -11.320 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.855 -3.794 -11.238 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.720 -2.944 -12.544 1.00 0.00 C ATOM 778 CE1 TYR A 50 -1.042 -3.755 -12.385 1.00 0.00 C ATOM 779 CE2 TYR A 50 -2.908 -2.899 -13.681 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.570 -3.307 -13.604 1.00 0.00 C ATOM 781 OH TYR A 50 -0.769 -3.262 -14.728 1.00 0.00 O ATOM 0 H TYR A 50 -4.054 -3.856 -7.754 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.391 -5.137 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.013 -2.836 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.600 -2.857 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.447 -4.132 -10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.752 -2.633 -12.609 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.011 -4.070 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.312 -2.549 -14.619 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.290 -2.929 -15.488 1.00 0.00 H new ATOM 791 N ALA A 51 -2.301 -5.801 -9.278 1.00 0.00 N ATOM 792 CA ALA A 51 -1.254 -6.820 -9.521 1.00 0.00 C ATOM 793 C ALA A 51 -1.803 -8.179 -9.111 1.00 0.00 C ATOM 794 O ALA A 51 -1.304 -9.215 -9.499 1.00 0.00 O ATOM 795 CB ALA A 51 -0.100 -6.415 -8.610 1.00 0.00 C ATOM 0 H ALA A 51 -2.072 -5.100 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.940 -6.881 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.722 -7.121 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.240 -5.414 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.436 -6.420 -7.573 1.00 0.00 H new ATOM 1092 N MET B 1 1.588 6.784 -17.827 1.00 0.00 N ATOM 1093 CA MET B 1 1.976 7.816 -16.819 1.00 0.00 C ATOM 1094 C MET B 1 3.485 7.795 -16.589 1.00 0.00 C ATOM 1095 O MET B 1 4.131 6.776 -16.726 1.00 0.00 O ATOM 1096 CB MET B 1 1.253 7.421 -15.528 1.00 0.00 C ATOM 1097 CG MET B 1 1.642 8.383 -14.404 1.00 0.00 C ATOM 1098 SD MET B 1 0.434 9.723 -14.314 1.00 0.00 S ATOM 1099 CE MET B 1 -0.377 9.152 -12.807 1.00 0.00 C ATOM 0 H1 MET B 1 1.208 7.252 -18.675 1.00 0.00 H new ATOM 0 H2 MET B 1 2.423 6.221 -18.087 1.00 0.00 H new ATOM 0 H3 MET B 1 0.862 6.159 -17.422 1.00 0.00 H new ATOM 0 HA MET B 1 1.709 8.819 -17.151 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.174 7.444 -15.682 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.514 6.399 -15.252 1.00 0.00 H new ATOM 0 HG2 MET B 1 1.683 7.851 -13.453 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.638 8.788 -14.586 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.097 9.900 -12.475 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.894 8.213 -13.006 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.370 8.997 -12.028 1.00 0.00 H new ATOM 1111 N GLU B 2 4.045 8.906 -16.214 1.00 0.00 N ATOM 1112 CA GLU B 2 5.497 8.956 -15.942 1.00 0.00 C ATOM 1113 C GLU B 2 5.705 9.634 -14.581 1.00 0.00 C ATOM 1114 O GLU B 2 5.806 10.839 -14.480 1.00 0.00 O ATOM 1115 CB GLU B 2 6.070 9.782 -17.103 1.00 0.00 C ATOM 1116 CG GLU B 2 7.320 10.535 -16.658 1.00 0.00 C ATOM 1117 CD GLU B 2 8.011 11.147 -17.878 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.794 10.646 -18.970 1.00 0.00 O ATOM 1119 OE2 GLU B 2 8.743 12.105 -17.702 1.00 0.00 O ATOM 0 H GLU B 2 3.551 9.789 -16.084 1.00 0.00 H new ATOM 0 HA GLU B 2 5.985 7.983 -15.887 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.312 9.126 -17.939 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.320 10.489 -17.459 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.052 11.318 -15.948 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.001 9.857 -16.143 1.00 0.00 H new ATOM 1126 N VAL B 3 5.729 8.869 -13.525 1.00 0.00 N ATOM 1127 CA VAL B 3 5.898 9.469 -12.175 1.00 0.00 C ATOM 1128 C VAL B 3 7.374 9.485 -11.767 1.00 0.00 C ATOM 1129 O VAL B 3 8.196 8.804 -12.346 1.00 0.00 O ATOM 1130 CB VAL B 3 5.085 8.564 -11.252 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.680 8.385 -11.828 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.776 7.204 -11.130 1.00 0.00 C ATOM 0 H VAL B 3 5.639 7.853 -13.540 1.00 0.00 H new ATOM 0 HA VAL B 3 5.564 10.506 -12.136 1.00 0.00 H new ATOM 0 HB VAL B 3 5.014 9.017 -10.263 1.00 0.00 H new ATOM 0 HG11 VAL B 3 3.097 7.739 -11.171 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.193 9.357 -11.907 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.747 7.931 -12.817 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.195 6.559 -10.471 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.850 6.744 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.775 7.339 -10.717 1.00 0.00 H new ATOM 1142 N ASN B 4 7.714 10.263 -10.778 1.00 0.00 N ATOM 1143 CA ASN B 4 9.135 10.334 -10.333 1.00 0.00 C ATOM 1144 C ASN B 4 9.400 9.305 -9.233 1.00 0.00 C ATOM 1145 O ASN B 4 8.636 8.382 -9.037 1.00 0.00 O ATOM 1146 CB ASN B 4 9.316 11.757 -9.796 1.00 0.00 C ATOM 1147 CG ASN B 4 8.586 12.743 -10.709 1.00 0.00 C ATOM 1148 OD1 ASN B 4 8.889 12.845 -11.881 1.00 0.00 O ATOM 1149 ND2 ASN B 4 7.628 13.474 -10.217 1.00 0.00 N ATOM 0 H ASN B 4 7.067 10.855 -10.257 1.00 0.00 H new ATOM 0 HA ASN B 4 9.830 10.115 -11.143 1.00 0.00 H new ATOM 0 HB2 ASN B 4 8.925 11.827 -8.781 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.376 12.007 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN B 4 7.131 14.133 -10.816 1.00 0.00 H new ATOM 0 HD22 ASN B 4 7.374 13.387 -9.233 1.00 0.00 H new ATOM 1156 N LYS B 5 10.477 9.458 -8.522 1.00 0.00 N ATOM 1157 CA LYS B 5 10.801 8.493 -7.437 1.00 0.00 C ATOM 1158 C LYS B 5 9.758 8.570 -6.327 1.00 0.00 C ATOM 1159 O LYS B 5 9.371 7.572 -5.752 1.00 0.00 O ATOM 1160 CB LYS B 5 12.154 8.948 -6.904 1.00 0.00 C ATOM 1161 CG LYS B 5 13.110 9.258 -8.057 1.00 0.00 C ATOM 1162 CD LYS B 5 14.288 8.288 -8.003 1.00 0.00 C ATOM 1163 CE LYS B 5 15.566 9.052 -7.663 1.00 0.00 C ATOM 1164 NZ LYS B 5 15.798 8.785 -6.217 1.00 0.00 N ATOM 0 H LYS B 5 11.151 10.213 -8.645 1.00 0.00 H new ATOM 0 HA LYS B 5 10.815 7.464 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS B 5 12.027 9.834 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.581 8.171 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.591 9.166 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS B 5 13.465 10.286 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.103 7.517 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.399 7.782 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS B 5 16.405 8.708 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.451 10.119 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.660 9.277 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.986 9.129 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 15.910 7.762 -6.066 1.00 0.00 H new ATOM 1178 N LYS B 6 9.310 9.750 -6.010 1.00 0.00 N ATOM 1179 CA LYS B 6 8.300 9.881 -4.921 1.00 0.00 C ATOM 1180 C LYS B 6 6.912 9.530 -5.438 1.00 0.00 C ATOM 1181 O LYS B 6 6.209 8.743 -4.838 1.00 0.00 O ATOM 1182 CB LYS B 6 8.377 11.335 -4.426 1.00 0.00 C ATOM 1183 CG LYS B 6 8.410 12.311 -5.606 1.00 0.00 C ATOM 1184 CD LYS B 6 9.696 13.138 -5.555 1.00 0.00 C ATOM 1185 CE LYS B 6 9.768 13.894 -4.226 1.00 0.00 C ATOM 1186 NZ LYS B 6 9.601 15.328 -4.592 1.00 0.00 N ATOM 0 H LYS B 6 9.595 10.624 -6.452 1.00 0.00 H new ATOM 0 HA LYS B 6 8.502 9.193 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.518 11.554 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS B 6 9.268 11.468 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS B 6 8.356 11.762 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS B 6 7.542 12.969 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS B 6 10.564 12.487 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS B 6 9.721 13.842 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS B 6 8.985 13.567 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS B 6 10.721 13.722 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 9.639 15.912 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 10.365 15.613 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 8.683 15.462 -5.061 1.00 0.00 H new ATOM 1200 N GLN B 7 6.509 10.068 -6.548 1.00 0.00 N ATOM 1201 CA GLN B 7 5.173 9.713 -7.075 1.00 0.00 C ATOM 1202 C GLN B 7 5.080 8.193 -7.200 1.00 0.00 C ATOM 1203 O GLN B 7 4.124 7.592 -6.766 1.00 0.00 O ATOM 1204 CB GLN B 7 5.101 10.373 -8.447 1.00 0.00 C ATOM 1205 CG GLN B 7 5.231 11.885 -8.296 1.00 0.00 C ATOM 1206 CD GLN B 7 4.057 12.575 -8.993 1.00 0.00 C ATOM 1207 OE1 GLN B 7 4.218 13.164 -10.043 1.00 0.00 O ATOM 1208 NE2 GLN B 7 2.873 12.527 -8.448 1.00 0.00 N ATOM 0 H GLN B 7 7.042 10.733 -7.108 1.00 0.00 H new ATOM 0 HA GLN B 7 4.357 10.043 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.897 9.992 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN B 7 4.156 10.126 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.249 12.155 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN B 7 6.173 12.224 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN B 7 2.737 12.033 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN B 7 2.083 12.984 -8.904 1.00 0.00 H new ATOM 1217 N LEU B 8 6.093 7.574 -7.765 1.00 0.00 N ATOM 1218 CA LEU B 8 6.098 6.090 -7.911 1.00 0.00 C ATOM 1219 C LEU B 8 5.881 5.454 -6.551 1.00 0.00 C ATOM 1220 O LEU B 8 4.935 4.724 -6.332 1.00 0.00 O ATOM 1221 CB LEU B 8 7.495 5.754 -8.437 1.00 0.00 C ATOM 1222 CG LEU B 8 7.512 4.350 -9.051 1.00 0.00 C ATOM 1223 CD1 LEU B 8 8.965 3.902 -9.231 1.00 0.00 C ATOM 1224 CD2 LEU B 8 6.788 3.364 -8.124 1.00 0.00 C ATOM 0 H LEU B 8 6.921 8.042 -8.133 1.00 0.00 H new ATOM 0 HA LEU B 8 5.315 5.726 -8.576 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.795 6.488 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.220 5.811 -7.625 1.00 0.00 H new ATOM 0 HG LEU B 8 7.005 4.371 -10.016 1.00 0.00 H new ATOM 0 HD11 LEU B 8 8.986 2.903 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU B 8 9.481 4.598 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.463 3.885 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU B 8 6.804 2.368 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.290 3.339 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU B 8 5.755 3.684 -7.988 1.00 0.00 H new ATOM 1236 N ALA B 9 6.746 5.742 -5.627 1.00 0.00 N ATOM 1237 CA ALA B 9 6.570 5.163 -4.271 1.00 0.00 C ATOM 1238 C ALA B 9 5.180 5.552 -3.772 1.00 0.00 C ATOM 1239 O ALA B 9 4.545 4.832 -3.029 1.00 0.00 O ATOM 1240 CB ALA B 9 7.669 5.783 -3.408 1.00 0.00 C ATOM 0 H ALA B 9 7.559 6.346 -5.748 1.00 0.00 H new ATOM 0 HA ALA B 9 6.645 4.076 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.595 5.396 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.644 5.529 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.552 6.867 -3.393 1.00 0.00 H new ATOM 1246 N ASP B 10 4.692 6.684 -4.214 1.00 0.00 N ATOM 1247 CA ASP B 10 3.327 7.121 -3.807 1.00 0.00 C ATOM 1248 C ASP B 10 2.292 6.268 -4.542 1.00 0.00 C ATOM 1249 O ASP B 10 1.383 5.728 -3.945 1.00 0.00 O ATOM 1250 CB ASP B 10 3.214 8.587 -4.235 1.00 0.00 C ATOM 1251 CG ASP B 10 2.607 9.405 -3.094 1.00 0.00 C ATOM 1252 OD1 ASP B 10 1.985 8.811 -2.230 1.00 0.00 O ATOM 1253 OD2 ASP B 10 2.776 10.613 -3.105 1.00 0.00 O ATOM 0 H ASP B 10 5.183 7.323 -4.840 1.00 0.00 H new ATOM 0 HA ASP B 10 3.155 7.011 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP B 10 4.198 8.978 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.593 8.670 -5.127 1.00 0.00 H new ATOM 1258 N ILE B 11 2.436 6.123 -5.835 1.00 0.00 N ATOM 1259 CA ILE B 11 1.468 5.279 -6.595 1.00 0.00 C ATOM 1260 C ILE B 11 1.287 3.969 -5.867 1.00 0.00 C ATOM 1261 O ILE B 11 0.200 3.577 -5.506 1.00 0.00 O ATOM 1262 CB ILE B 11 2.126 4.970 -7.941 1.00 0.00 C ATOM 1263 CG1 ILE B 11 2.702 6.248 -8.540 1.00 0.00 C ATOM 1264 CG2 ILE B 11 1.096 4.332 -8.875 1.00 0.00 C ATOM 1265 CD1 ILE B 11 2.725 6.195 -10.069 1.00 0.00 C ATOM 0 H ILE B 11 3.176 6.549 -6.393 1.00 0.00 H new ATOM 0 HA ILE B 11 0.508 5.784 -6.707 1.00 0.00 H new ATOM 0 HB ILE B 11 2.946 4.266 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE B 11 2.109 7.102 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.714 6.402 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.563 4.111 -9.835 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.725 3.408 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.265 5.021 -9.026 1.00 0.00 H new ATOM 0 HD11 ILE B 11 3.142 7.123 -10.459 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.340 5.356 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.709 6.068 -10.444 1.00 0.00 H new ATOM 1277 N PHE B 12 2.366 3.277 -5.688 1.00 0.00 N ATOM 1278 CA PHE B 12 2.304 1.963 -5.029 1.00 0.00 C ATOM 1279 C PHE B 12 2.249 2.145 -3.512 1.00 0.00 C ATOM 1280 O PHE B 12 2.294 1.192 -2.761 1.00 0.00 O ATOM 1281 CB PHE B 12 3.600 1.258 -5.444 1.00 0.00 C ATOM 1282 CG PHE B 12 3.821 1.242 -6.964 1.00 0.00 C ATOM 1283 CD1 PHE B 12 3.017 1.966 -7.877 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.874 0.473 -7.458 1.00 0.00 C ATOM 1285 CE1 PHE B 12 3.290 1.901 -9.254 1.00 0.00 C ATOM 1286 CE2 PHE B 12 5.141 0.408 -8.827 1.00 0.00 C ATOM 1287 CZ PHE B 12 4.352 1.121 -9.725 1.00 0.00 C ATOM 0 H PHE B 12 3.299 3.573 -5.975 1.00 0.00 H new ATOM 0 HA PHE B 12 1.421 1.391 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.445 1.754 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.582 0.232 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE B 12 2.196 2.567 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.494 -0.082 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE B 12 2.678 2.455 -9.951 1.00 0.00 H new ATOM 0 HE2 PHE B 12 5.960 -0.196 -9.189 1.00 0.00 H new ATOM 0 HZ PHE B 12 4.559 1.072 -10.784 1.00 0.00 H new ATOM 1297 N GLY B 13 2.157 3.364 -3.055 1.00 0.00 N ATOM 1298 CA GLY B 13 2.103 3.602 -1.587 1.00 0.00 C ATOM 1299 C GLY B 13 3.331 2.966 -0.948 1.00 0.00 C ATOM 1300 O GLY B 13 3.366 2.702 0.238 1.00 0.00 O ATOM 0 H GLY B 13 2.117 4.203 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY B 13 2.078 4.671 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.193 3.174 -1.167 1.00 0.00 H new ATOM 1304 N ALA B 14 4.341 2.715 -1.733 1.00 0.00 N ATOM 1305 CA ALA B 14 5.573 2.092 -1.184 1.00 0.00 C ATOM 1306 C ALA B 14 6.478 3.160 -0.582 1.00 0.00 C ATOM 1307 O ALA B 14 6.094 4.301 -0.414 1.00 0.00 O ATOM 1308 CB ALA B 14 6.280 1.462 -2.388 1.00 0.00 C ATOM 0 H ALA B 14 4.365 2.916 -2.733 1.00 0.00 H new ATOM 0 HA ALA B 14 5.341 1.366 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.201 0.982 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.627 0.719 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.516 2.237 -3.118 1.00 0.00 H new ATOM 1314 N SER B 15 7.695 2.802 -0.308 1.00 0.00 N ATOM 1315 CA SER B 15 8.663 3.786 0.227 1.00 0.00 C ATOM 1316 C SER B 15 9.646 4.097 -0.876 1.00 0.00 C ATOM 1317 O SER B 15 10.161 3.212 -1.527 1.00 0.00 O ATOM 1318 CB SER B 15 9.362 3.105 1.395 1.00 0.00 C ATOM 1319 OG SER B 15 8.619 1.957 1.788 1.00 0.00 O ATOM 0 H SER B 15 8.063 1.859 -0.434 1.00 0.00 H new ATOM 0 HA SER B 15 8.196 4.713 0.559 1.00 0.00 H new ATOM 0 HB2 SER B 15 10.374 2.816 1.109 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.452 3.797 2.232 1.00 0.00 H new ATOM 0 HG SER B 15 9.070 1.517 2.539 1.00 0.00 H new ATOM 1325 N ILE B 16 9.910 5.334 -1.108 1.00 0.00 N ATOM 1326 CA ILE B 16 10.863 5.661 -2.190 1.00 0.00 C ATOM 1327 C ILE B 16 12.116 4.832 -1.983 1.00 0.00 C ATOM 1328 O ILE B 16 12.793 4.444 -2.914 1.00 0.00 O ATOM 1329 CB ILE B 16 11.161 7.139 -2.044 1.00 0.00 C ATOM 1330 CG1 ILE B 16 9.836 7.893 -1.866 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.887 7.598 -3.303 1.00 0.00 C ATOM 1332 CD1 ILE B 16 9.951 9.317 -2.395 1.00 0.00 C ATOM 0 H ILE B 16 9.516 6.129 -0.606 1.00 0.00 H new ATOM 0 HA ILE B 16 10.473 5.447 -3.185 1.00 0.00 H new ATOM 0 HB ILE B 16 11.789 7.336 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.039 7.367 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.562 7.913 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.114 8.661 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.814 7.036 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.252 7.426 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE B 16 9.001 9.833 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE B 16 10.733 9.846 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE B 16 10.202 9.292 -3.455 1.00 0.00 H new ATOM 1344 N ARG B 17 12.396 4.527 -0.754 1.00 0.00 N ATOM 1345 CA ARG B 17 13.579 3.677 -0.460 1.00 0.00 C ATOM 1346 C ARG B 17 13.420 2.409 -1.277 1.00 0.00 C ATOM 1347 O ARG B 17 14.359 1.870 -1.829 1.00 0.00 O ATOM 1348 CB ARG B 17 13.528 3.306 1.027 1.00 0.00 C ATOM 1349 CG ARG B 17 12.793 4.350 1.857 1.00 0.00 C ATOM 1350 CD ARG B 17 13.288 5.752 1.490 1.00 0.00 C ATOM 1351 NE ARG B 17 13.469 6.448 2.796 1.00 0.00 N ATOM 1352 CZ ARG B 17 14.669 6.637 3.274 1.00 0.00 C ATOM 1353 NH1 ARG B 17 15.655 5.874 2.890 1.00 0.00 N ATOM 1354 NH2 ARG B 17 14.883 7.591 4.140 1.00 0.00 N ATOM 0 H ARG B 17 11.860 4.827 0.060 1.00 0.00 H new ATOM 0 HA ARG B 17 14.515 4.184 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG B 17 13.035 2.341 1.142 1.00 0.00 H new ATOM 0 HB3 ARG B 17 14.544 3.192 1.406 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.720 4.277 1.682 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.956 4.164 2.919 1.00 0.00 H new ATOM 0 HD2 ARG B 17 14.224 5.707 0.933 1.00 0.00 H new ATOM 0 HD3 ARG B 17 12.567 6.274 0.861 1.00 0.00 H new ATOM 0 HE ARG B 17 12.655 6.776 3.316 1.00 0.00 H new ATOM 0 HH11 ARG B 17 15.489 5.128 2.215 1.00 0.00 H new ATOM 0 HH12 ARG B 17 16.592 6.024 3.265 1.00 0.00 H new ATOM 0 HH21 ARG B 17 14.113 8.188 4.442 1.00 0.00 H new ATOM 0 HH22 ARG B 17 15.820 7.739 4.514 1.00 0.00 H new ATOM 1368 N THR B 18 12.204 1.948 -1.362 1.00 0.00 N ATOM 1369 CA THR B 18 11.915 0.735 -2.144 1.00 0.00 C ATOM 1370 C THR B 18 12.055 1.091 -3.615 1.00 0.00 C ATOM 1371 O THR B 18 12.534 0.315 -4.418 1.00 0.00 O ATOM 1372 CB THR B 18 10.474 0.378 -1.795 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.370 0.153 -0.396 1.00 0.00 O ATOM 1374 CG2 THR B 18 10.039 -0.881 -2.549 1.00 0.00 C ATOM 0 H THR B 18 11.393 2.373 -0.913 1.00 0.00 H new ATOM 0 HA THR B 18 12.581 -0.102 -1.933 1.00 0.00 H new ATOM 0 HB THR B 18 9.825 1.204 -2.086 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.444 -0.075 -0.169 1.00 0.00 H new ATOM 0 HG21 THR B 18 9.008 -1.123 -2.289 1.00 0.00 H new ATOM 0 HG22 THR B 18 10.111 -0.705 -3.622 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.687 -1.713 -2.273 1.00 0.00 H new ATOM 1382 N ILE B 19 11.661 2.287 -3.964 1.00 0.00 N ATOM 1383 CA ILE B 19 11.799 2.722 -5.373 1.00 0.00 C ATOM 1384 C ILE B 19 13.285 2.870 -5.682 1.00 0.00 C ATOM 1385 O ILE B 19 13.740 2.584 -6.772 1.00 0.00 O ATOM 1386 CB ILE B 19 11.093 4.074 -5.465 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.685 3.966 -4.876 1.00 0.00 C ATOM 1388 CG2 ILE B 19 10.996 4.488 -6.932 1.00 0.00 C ATOM 1389 CD1 ILE B 19 8.942 2.802 -5.530 1.00 0.00 C ATOM 0 H ILE B 19 11.252 2.975 -3.332 1.00 0.00 H new ATOM 0 HA ILE B 19 11.368 2.014 -6.081 1.00 0.00 H new ATOM 0 HB ILE B 19 11.660 4.818 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.742 3.814 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.140 4.896 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.493 5.452 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE B 19 11.998 4.568 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.428 3.740 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.940 2.727 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE B 19 8.872 2.973 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.483 1.874 -5.344 1.00 0.00 H new ATOM 1401 N GLN B 20 14.051 3.286 -4.708 1.00 0.00 N ATOM 1402 CA GLN B 20 15.512 3.417 -4.916 1.00 0.00 C ATOM 1403 C GLN B 20 16.081 2.014 -5.035 1.00 0.00 C ATOM 1404 O GLN B 20 17.093 1.782 -5.666 1.00 0.00 O ATOM 1405 CB GLN B 20 16.044 4.118 -3.664 1.00 0.00 C ATOM 1406 CG GLN B 20 15.393 5.497 -3.532 1.00 0.00 C ATOM 1407 CD GLN B 20 16.461 6.535 -3.182 1.00 0.00 C ATOM 1408 OE1 GLN B 20 17.376 6.766 -3.949 1.00 0.00 O ATOM 1409 NE2 GLN B 20 16.384 7.175 -2.048 1.00 0.00 N ATOM 0 H GLN B 20 13.721 3.540 -3.777 1.00 0.00 H new ATOM 0 HA GLN B 20 15.780 3.980 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.830 3.517 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.127 4.220 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.899 5.768 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.625 5.476 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.617 6.982 -1.404 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.091 7.869 -1.805 1.00 0.00 H new ATOM 1418 N ASN B 21 15.403 1.065 -4.446 1.00 0.00 N ATOM 1419 CA ASN B 21 15.864 -0.341 -4.539 1.00 0.00 C ATOM 1420 C ASN B 21 15.325 -0.933 -5.833 1.00 0.00 C ATOM 1421 O ASN B 21 15.868 -1.866 -6.389 1.00 0.00 O ATOM 1422 CB ASN B 21 15.267 -1.047 -3.323 1.00 0.00 C ATOM 1423 CG ASN B 21 15.792 -2.483 -3.259 1.00 0.00 C ATOM 1424 OD1 ASN B 21 16.478 -2.932 -4.155 1.00 0.00 O ATOM 1425 ND2 ASN B 21 15.496 -3.228 -2.229 1.00 0.00 N ATOM 0 H ASN B 21 14.550 1.208 -3.905 1.00 0.00 H new ATOM 0 HA ASN B 21 16.949 -0.441 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN B 21 15.531 -0.511 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN B 21 14.179 -1.049 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN B 21 15.841 -4.187 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN B 21 14.920 -2.852 -1.476 1.00 0.00 H new ATOM 1432 N TRP B 22 14.257 -0.368 -6.317 1.00 0.00 N ATOM 1433 CA TRP B 22 13.652 -0.846 -7.582 1.00 0.00 C ATOM 1434 C TRP B 22 14.485 -0.357 -8.762 1.00 0.00 C ATOM 1435 O TRP B 22 14.792 -1.098 -9.674 1.00 0.00 O ATOM 1436 CB TRP B 22 12.279 -0.198 -7.610 1.00 0.00 C ATOM 1437 CG TRP B 22 11.370 -0.914 -6.673 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.716 -1.955 -5.886 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.967 -0.659 -6.423 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.605 -2.359 -5.171 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.500 -1.589 -5.468 1.00 0.00 C ATOM 1442 CE3 TRP B 22 9.068 0.280 -6.932 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 8.176 -1.584 -5.033 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.738 0.292 -6.501 1.00 0.00 C ATOM 1445 CH2 TRP B 22 7.291 -0.640 -5.551 1.00 0.00 C ATOM 0 H TRP B 22 13.773 0.416 -5.881 1.00 0.00 H new ATOM 0 HA TRP B 22 13.601 -1.933 -7.645 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.355 0.852 -7.327 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.872 -0.227 -8.621 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.699 -2.399 -5.825 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.602 -3.132 -4.505 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.402 1.001 -7.663 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.839 -2.304 -4.302 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.051 1.022 -6.901 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.262 -0.626 -5.222 1.00 0.00 H new ATOM 1456 N GLN B 23 14.859 0.893 -8.744 1.00 0.00 N ATOM 1457 CA GLN B 23 15.675 1.437 -9.852 1.00 0.00 C ATOM 1458 C GLN B 23 16.931 0.574 -10.015 1.00 0.00 C ATOM 1459 O GLN B 23 17.527 0.523 -11.072 1.00 0.00 O ATOM 1460 CB GLN B 23 16.006 2.873 -9.410 1.00 0.00 C ATOM 1461 CG GLN B 23 17.456 3.221 -9.750 1.00 0.00 C ATOM 1462 CD GLN B 23 17.662 4.732 -9.627 1.00 0.00 C ATOM 1463 OE1 GLN B 23 16.719 5.494 -9.697 1.00 0.00 O ATOM 1464 NE2 GLN B 23 18.867 5.200 -9.445 1.00 0.00 N ATOM 0 H GLN B 23 14.631 1.558 -8.005 1.00 0.00 H new ATOM 0 HA GLN B 23 15.172 1.434 -10.819 1.00 0.00 H new ATOM 0 HB2 GLN B 23 15.333 3.575 -9.902 1.00 0.00 H new ATOM 0 HB3 GLN B 23 15.844 2.975 -8.337 1.00 0.00 H new ATOM 0 HG2 GLN B 23 18.134 2.695 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN B 23 17.692 2.893 -10.762 1.00 0.00 H new ATOM 0 HE21 GLN B 23 19.659 4.560 -9.386 1.00 0.00 H new ATOM 0 HE22 GLN B 23 19.016 6.206 -9.362 1.00 0.00 H new ATOM 1473 N GLU B 24 17.335 -0.106 -8.973 1.00 0.00 N ATOM 1474 CA GLU B 24 18.549 -0.961 -9.079 1.00 0.00 C ATOM 1475 C GLU B 24 18.155 -2.435 -9.170 1.00 0.00 C ATOM 1476 O GLU B 24 18.984 -3.298 -9.381 1.00 0.00 O ATOM 1477 CB GLU B 24 19.343 -0.689 -7.801 1.00 0.00 C ATOM 1478 CG GLU B 24 19.943 0.718 -7.864 1.00 0.00 C ATOM 1479 CD GLU B 24 20.829 0.951 -6.638 1.00 0.00 C ATOM 1480 OE1 GLU B 24 21.070 0.000 -5.914 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.252 2.080 -6.445 1.00 0.00 O ATOM 0 H GLU B 24 16.879 -0.105 -8.061 1.00 0.00 H new ATOM 0 HA GLU B 24 19.133 -0.737 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.694 -0.781 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU B 24 20.135 -1.429 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU B 24 20.528 0.835 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.148 1.463 -7.898 1.00 0.00 H new ATOM 1488 N GLN B 25 16.895 -2.730 -9.029 1.00 0.00 N ATOM 1489 CA GLN B 25 16.452 -4.148 -9.125 1.00 0.00 C ATOM 1490 C GLN B 25 16.119 -4.481 -10.580 1.00 0.00 C ATOM 1491 O GLN B 25 15.917 -5.623 -10.938 1.00 0.00 O ATOM 1492 CB GLN B 25 15.201 -4.235 -8.251 1.00 0.00 C ATOM 1493 CG GLN B 25 15.615 -4.421 -6.790 1.00 0.00 C ATOM 1494 CD GLN B 25 15.740 -5.914 -6.483 1.00 0.00 C ATOM 1495 OE1 GLN B 25 16.831 -6.423 -6.319 1.00 0.00 O ATOM 1496 NE2 GLN B 25 14.662 -6.643 -6.398 1.00 0.00 N ATOM 0 H GLN B 25 16.153 -2.053 -8.852 1.00 0.00 H new ATOM 0 HA GLN B 25 17.218 -4.851 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN B 25 14.604 -3.329 -8.359 1.00 0.00 H new ATOM 0 HB3 GLN B 25 14.576 -5.068 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN B 25 16.564 -3.919 -6.603 1.00 0.00 H new ATOM 0 HG3 GLN B 25 14.878 -3.963 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN B 25 13.746 -6.216 -6.536 1.00 0.00 H new ATOM 0 HE22 GLN B 25 14.735 -7.640 -6.194 1.00 0.00 H new ATOM 1505 N GLY B 26 16.067 -3.484 -11.423 1.00 0.00 N ATOM 1506 CA GLY B 26 15.756 -3.736 -12.857 1.00 0.00 C ATOM 1507 C GLY B 26 14.385 -3.152 -13.199 1.00 0.00 C ATOM 1508 O GLY B 26 13.727 -3.594 -14.122 1.00 0.00 O ATOM 0 H GLY B 26 16.227 -2.507 -11.179 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.521 -3.286 -13.489 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.766 -4.807 -13.058 1.00 0.00 H new ATOM 1512 N MET B 27 13.942 -2.162 -12.471 1.00 0.00 N ATOM 1513 CA MET B 27 12.605 -1.565 -12.777 1.00 0.00 C ATOM 1514 C MET B 27 12.697 -0.652 -13.999 1.00 0.00 C ATOM 1515 O MET B 27 13.682 0.032 -14.194 1.00 0.00 O ATOM 1516 CB MET B 27 12.206 -0.761 -11.541 1.00 0.00 C ATOM 1517 CG MET B 27 10.725 -0.389 -11.657 1.00 0.00 C ATOM 1518 SD MET B 27 10.223 0.610 -10.236 1.00 0.00 S ATOM 1519 CE MET B 27 11.262 2.041 -10.604 1.00 0.00 C ATOM 0 H MET B 27 14.440 -1.743 -11.686 1.00 0.00 H new ATOM 0 HA MET B 27 11.868 -2.336 -13.005 1.00 0.00 H new ATOM 0 HB2 MET B 27 12.380 -1.345 -10.637 1.00 0.00 H new ATOM 0 HB3 MET B 27 12.817 0.138 -11.461 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.552 0.165 -12.580 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.118 -1.293 -11.709 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.875 2.916 -10.081 1.00 0.00 H new ATOM 0 HE2 MET B 27 12.283 1.844 -10.276 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.256 2.228 -11.678 1.00 0.00 H new ATOM 1529 N PRO B 28 11.658 -0.681 -14.788 1.00 0.00 N ATOM 1530 CA PRO B 28 11.613 0.145 -16.015 1.00 0.00 C ATOM 1531 C PRO B 28 11.394 1.607 -15.687 1.00 0.00 C ATOM 1532 O PRO B 28 10.295 2.134 -15.760 1.00 0.00 O ATOM 1533 CB PRO B 28 10.432 -0.420 -16.792 1.00 0.00 C ATOM 1534 CG PRO B 28 9.551 -1.039 -15.754 1.00 0.00 C ATOM 1535 CD PRO B 28 10.440 -1.480 -14.618 1.00 0.00 C ATOM 0 HA PRO B 28 12.546 0.107 -16.577 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.908 0.363 -17.339 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.758 -1.158 -17.525 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.807 -0.323 -15.404 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.007 -1.888 -16.168 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.973 -1.294 -13.651 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.653 -2.548 -14.669 1.00 0.00 H new ATOM 1543 N VAL B 29 12.446 2.278 -15.367 1.00 0.00 N ATOM 1544 CA VAL B 29 12.319 3.708 -15.084 1.00 0.00 C ATOM 1545 C VAL B 29 12.530 4.475 -16.385 1.00 0.00 C ATOM 1546 O VAL B 29 13.260 4.053 -17.259 1.00 0.00 O ATOM 1547 CB VAL B 29 13.365 4.018 -14.036 1.00 0.00 C ATOM 1548 CG1 VAL B 29 14.687 3.407 -14.395 1.00 0.00 C ATOM 1549 CG2 VAL B 29 13.535 5.508 -13.942 1.00 0.00 C ATOM 0 H VAL B 29 13.388 1.895 -15.290 1.00 0.00 H new ATOM 0 HA VAL B 29 11.338 3.996 -14.705 1.00 0.00 H new ATOM 0 HB VAL B 29 13.033 3.603 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.420 3.646 -13.624 1.00 0.00 H new ATOM 0 HG12 VAL B 29 14.579 2.325 -14.470 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.024 3.805 -15.352 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.287 5.742 -13.189 1.00 0.00 H new ATOM 0 HG22 VAL B 29 13.855 5.899 -14.908 1.00 0.00 H new ATOM 0 HG23 VAL B 29 12.586 5.965 -13.661 1.00 0.00 H new ATOM 1559 N LEU B 30 11.863 5.574 -16.533 1.00 0.00 N ATOM 1560 CA LEU B 30 11.975 6.359 -17.793 1.00 0.00 C ATOM 1561 C LEU B 30 13.401 6.849 -18.036 1.00 0.00 C ATOM 1562 O LEU B 30 14.106 6.347 -18.889 1.00 0.00 O ATOM 1563 CB LEU B 30 11.041 7.544 -17.587 1.00 0.00 C ATOM 1564 CG LEU B 30 9.668 7.209 -18.160 1.00 0.00 C ATOM 1565 CD1 LEU B 30 9.143 5.924 -17.525 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.707 8.359 -17.864 1.00 0.00 C ATOM 0 H LEU B 30 11.237 5.971 -15.832 1.00 0.00 H new ATOM 0 HA LEU B 30 11.716 5.755 -18.662 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.958 7.776 -16.525 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.446 8.430 -18.076 1.00 0.00 H new ATOM 0 HG LEU B 30 9.747 7.066 -19.238 1.00 0.00 H new ATOM 0 HD11 LEU B 30 8.162 5.689 -17.938 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.831 5.106 -17.737 1.00 0.00 H new ATOM 0 HD13 LEU B 30 9.060 6.059 -16.446 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.723 8.125 -18.271 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.629 8.500 -16.786 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.082 9.274 -18.323 1.00 0.00 H new ATOM 1697 N LEU B 40 12.693 9.421 -13.989 1.00 0.00 N ATOM 1698 CA LEU B 40 11.210 9.295 -13.972 1.00 0.00 C ATOM 1699 C LEU B 40 10.835 7.832 -14.147 1.00 0.00 C ATOM 1700 O LEU B 40 11.606 7.048 -14.657 1.00 0.00 O ATOM 1701 CB LEU B 40 10.717 10.125 -15.154 1.00 0.00 C ATOM 1702 CG LEU B 40 10.158 11.447 -14.637 1.00 0.00 C ATOM 1703 CD1 LEU B 40 8.848 11.184 -13.889 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.177 12.090 -13.687 1.00 0.00 C ATOM 0 HA LEU B 40 10.768 9.641 -13.038 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.534 10.309 -15.851 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.948 9.580 -15.702 1.00 0.00 H new ATOM 0 HG LEU B 40 9.968 12.120 -15.473 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.445 12.126 -13.518 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.129 10.724 -14.566 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.036 10.514 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU B 40 10.782 13.035 -13.315 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.365 11.420 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.109 12.272 -14.222 1.00 0.00 H new ATOM 1716 N TYR B 41 9.674 7.447 -13.717 1.00 0.00 N ATOM 1717 CA TYR B 41 9.289 6.019 -13.850 1.00 0.00 C ATOM 1718 C TYR B 41 7.981 5.866 -14.611 1.00 0.00 C ATOM 1719 O TYR B 41 7.040 6.609 -14.412 1.00 0.00 O ATOM 1720 CB TYR B 41 9.099 5.529 -12.415 1.00 0.00 C ATOM 1721 CG TYR B 41 10.396 5.635 -11.657 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.415 4.713 -11.900 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.577 6.646 -10.705 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.620 4.793 -11.193 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.785 6.726 -10.000 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.804 5.798 -10.243 1.00 0.00 C ATOM 1727 OH TYR B 41 13.990 5.872 -9.543 1.00 0.00 O ATOM 0 H TYR B 41 8.978 8.052 -13.282 1.00 0.00 H new ATOM 0 HA TYR B 41 10.044 5.457 -14.400 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.329 6.121 -11.919 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.754 4.495 -12.418 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.273 3.935 -12.636 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.789 7.360 -10.515 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.407 4.078 -11.383 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.930 7.506 -9.267 1.00 0.00 H new ATOM 0 HH TYR B 41 14.734 5.631 -10.134 1.00 0.00 H new ATOM 1737 N ASP B 42 7.902 4.879 -15.454 1.00 0.00 N ATOM 1738 CA ASP B 42 6.627 4.660 -16.189 1.00 0.00 C ATOM 1739 C ASP B 42 5.657 3.982 -15.232 1.00 0.00 C ATOM 1740 O ASP B 42 5.523 2.776 -15.201 1.00 0.00 O ATOM 1741 CB ASP B 42 6.952 3.784 -17.410 1.00 0.00 C ATOM 1742 CG ASP B 42 8.055 2.780 -17.076 1.00 0.00 C ATOM 1743 OD1 ASP B 42 8.002 2.214 -16.000 1.00 0.00 O ATOM 1744 OD2 ASP B 42 8.931 2.592 -17.905 1.00 0.00 O ATOM 0 H ASP B 42 8.653 4.222 -15.665 1.00 0.00 H new ATOM 0 HA ASP B 42 6.168 5.585 -16.539 1.00 0.00 H new ATOM 0 HB2 ASP B 42 6.056 3.254 -17.732 1.00 0.00 H new ATOM 0 HB3 ASP B 42 7.266 4.414 -18.242 1.00 0.00 H new ATOM 1749 N SER B 43 5.017 4.788 -14.426 1.00 0.00 N ATOM 1750 CA SER B 43 4.053 4.295 -13.401 1.00 0.00 C ATOM 1751 C SER B 43 3.403 2.980 -13.805 1.00 0.00 C ATOM 1752 O SER B 43 3.124 2.147 -12.971 1.00 0.00 O ATOM 1753 CB SER B 43 2.994 5.391 -13.304 1.00 0.00 C ATOM 1754 OG SER B 43 3.333 6.455 -14.178 1.00 0.00 O ATOM 0 H SER B 43 5.128 5.802 -14.438 1.00 0.00 H new ATOM 0 HA SER B 43 4.557 4.099 -12.455 1.00 0.00 H new ATOM 0 HB2 SER B 43 2.015 4.990 -13.565 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.926 5.756 -12.279 1.00 0.00 H new ATOM 0 HG SER B 43 3.437 6.109 -15.089 1.00 0.00 H new ATOM 1760 N ALA B 44 3.158 2.775 -15.061 1.00 0.00 N ATOM 1761 CA ALA B 44 2.514 1.490 -15.461 1.00 0.00 C ATOM 1762 C ALA B 44 3.572 0.429 -15.705 1.00 0.00 C ATOM 1763 O ALA B 44 3.470 -0.685 -15.237 1.00 0.00 O ATOM 1764 CB ALA B 44 1.746 1.780 -16.737 1.00 0.00 C ATOM 0 H ALA B 44 3.368 3.423 -15.820 1.00 0.00 H new ATOM 0 HA ALA B 44 1.852 1.114 -14.681 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.251 0.871 -17.079 1.00 0.00 H new ATOM 0 HB2 ALA B 44 0.998 2.550 -16.545 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.436 2.128 -17.506 1.00 0.00 H new ATOM 1770 N ALA B 45 4.605 0.763 -16.406 1.00 0.00 N ATOM 1771 CA ALA B 45 5.664 -0.239 -16.626 1.00 0.00 C ATOM 1772 C ALA B 45 6.277 -0.542 -15.267 1.00 0.00 C ATOM 1773 O ALA B 45 6.819 -1.602 -15.025 1.00 0.00 O ATOM 1774 CB ALA B 45 6.670 0.427 -17.557 1.00 0.00 C ATOM 0 H ALA B 45 4.762 1.676 -16.832 1.00 0.00 H new ATOM 0 HA ALA B 45 5.313 -1.173 -17.065 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.487 -0.264 -17.764 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.178 0.697 -18.491 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.065 1.325 -17.083 1.00 0.00 H new ATOM 1780 N VAL B 46 6.166 0.402 -14.372 1.00 0.00 N ATOM 1781 CA VAL B 46 6.710 0.208 -13.005 1.00 0.00 C ATOM 1782 C VAL B 46 5.915 -0.861 -12.254 1.00 0.00 C ATOM 1783 O VAL B 46 6.437 -1.521 -11.384 1.00 0.00 O ATOM 1784 CB VAL B 46 6.531 1.545 -12.287 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.093 1.427 -10.874 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.276 2.651 -13.025 1.00 0.00 C ATOM 0 H VAL B 46 5.718 1.304 -14.534 1.00 0.00 H new ATOM 0 HA VAL B 46 7.752 -0.110 -13.046 1.00 0.00 H new ATOM 0 HB VAL B 46 5.470 1.792 -12.257 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.970 2.377 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.559 0.645 -10.334 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.152 1.175 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.138 3.596 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.338 2.410 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL B 46 6.886 2.739 -14.039 1.00 0.00 H new ATOM 1796 N ILE B 47 4.651 -1.029 -12.565 1.00 0.00 N ATOM 1797 CA ILE B 47 3.855 -2.062 -11.818 1.00 0.00 C ATOM 1798 C ILE B 47 3.939 -3.418 -12.483 1.00 0.00 C ATOM 1799 O ILE B 47 4.301 -4.385 -11.855 1.00 0.00 O ATOM 1800 CB ILE B 47 2.393 -1.623 -11.744 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.057 -0.554 -12.779 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.149 -1.087 -10.347 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.664 0.005 -12.509 1.00 0.00 C ATOM 0 H ILE B 47 4.144 -0.512 -13.284 1.00 0.00 H new ATOM 0 HA ILE B 47 4.274 -2.150 -10.816 1.00 0.00 H new ATOM 0 HB ILE B 47 1.752 -2.478 -11.961 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.795 0.248 -12.740 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.100 -0.979 -13.782 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.112 -0.763 -10.257 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.349 -1.871 -9.616 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.811 -0.241 -10.161 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.428 0.768 -13.251 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.069 -0.799 -12.570 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.636 0.446 -11.513 1.00 0.00 H new ATOM 1815 N LYS B 48 3.606 -3.516 -13.736 1.00 0.00 N ATOM 1816 CA LYS B 48 3.687 -4.842 -14.394 1.00 0.00 C ATOM 1817 C LYS B 48 5.012 -5.492 -13.974 1.00 0.00 C ATOM 1818 O LYS B 48 5.133 -6.696 -13.829 1.00 0.00 O ATOM 1819 CB LYS B 48 3.654 -4.538 -15.898 1.00 0.00 C ATOM 1820 CG LYS B 48 4.373 -5.645 -16.672 1.00 0.00 C ATOM 1821 CD LYS B 48 4.048 -5.523 -18.161 1.00 0.00 C ATOM 1822 CE LYS B 48 4.556 -4.180 -18.689 1.00 0.00 C ATOM 1823 NZ LYS B 48 3.362 -3.524 -19.291 1.00 0.00 N ATOM 0 H LYS B 48 3.286 -2.747 -14.325 1.00 0.00 H new ATOM 0 HA LYS B 48 2.882 -5.526 -14.126 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.622 -4.457 -16.238 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.131 -3.578 -16.094 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.449 -5.571 -16.517 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.064 -6.622 -16.301 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.511 -6.341 -18.713 1.00 0.00 H new ATOM 0 HD3 LYS B 48 2.972 -5.603 -18.316 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.976 -3.574 -17.886 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.344 -4.320 -19.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.632 -2.596 -19.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.988 -4.120 -20.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.631 -3.397 -18.562 1.00 0.00 H new ATOM 1837 N TRP B 49 5.990 -4.659 -13.737 1.00 0.00 N ATOM 1838 CA TRP B 49 7.325 -5.134 -13.284 1.00 0.00 C ATOM 1839 C TRP B 49 7.333 -5.272 -11.754 1.00 0.00 C ATOM 1840 O TRP B 49 8.011 -6.116 -11.201 1.00 0.00 O ATOM 1841 CB TRP B 49 8.282 -4.031 -13.749 1.00 0.00 C ATOM 1842 CG TRP B 49 9.560 -4.082 -12.975 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.731 -4.575 -13.442 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.821 -3.627 -11.616 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.695 -4.446 -12.456 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.181 -3.867 -11.312 1.00 0.00 C ATOM 1847 CE3 TRP B 49 9.017 -3.032 -10.626 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.724 -3.530 -10.072 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.561 -2.695 -9.377 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.911 -2.944 -9.101 1.00 0.00 C ATOM 0 H TRP B 49 5.915 -3.647 -13.842 1.00 0.00 H new ATOM 0 HA TRP B 49 7.600 -6.110 -13.683 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.490 -4.147 -14.813 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.812 -3.056 -13.621 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.888 -4.999 -14.423 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.665 -4.742 -12.562 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.975 -2.834 -10.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.767 -3.721 -9.865 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.934 -2.241 -8.624 1.00 0.00 H new ATOM 0 HH2 TRP B 49 11.323 -2.683 -8.137 1.00 0.00 H new ATOM 1861 N TYR B 50 6.576 -4.453 -11.062 1.00 0.00 N ATOM 1862 CA TYR B 50 6.534 -4.544 -9.573 1.00 0.00 C ATOM 1863 C TYR B 50 5.486 -5.581 -9.145 1.00 0.00 C ATOM 1864 O TYR B 50 5.514 -6.098 -8.047 1.00 0.00 O ATOM 1865 CB TYR B 50 6.142 -3.129 -9.107 1.00 0.00 C ATOM 1866 CG TYR B 50 5.257 -3.198 -7.882 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.881 -3.442 -8.019 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.818 -3.041 -6.613 1.00 0.00 C ATOM 1869 CE1 TYR B 50 3.071 -3.528 -6.880 1.00 0.00 C ATOM 1870 CE2 TYR B 50 5.014 -3.130 -5.474 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.639 -3.375 -5.604 1.00 0.00 C ATOM 1872 OH TYR B 50 2.843 -3.466 -4.479 1.00 0.00 O ATOM 0 H TYR B 50 5.986 -3.726 -11.467 1.00 0.00 H new ATOM 0 HA TYR B 50 7.482 -4.861 -9.139 1.00 0.00 H new ATOM 0 HB2 TYR B 50 7.039 -2.553 -8.882 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.621 -2.607 -9.910 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.448 -3.563 -9.001 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.876 -2.850 -6.512 1.00 0.00 H new ATOM 0 HE1 TYR B 50 2.012 -3.712 -6.982 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.451 -3.010 -4.494 1.00 0.00 H new ATOM 0 HH TYR B 50 3.393 -3.338 -3.678 1.00 0.00 H new ATOM 1882 N ALA B 51 4.560 -5.886 -10.004 1.00 0.00 N ATOM 1883 CA ALA B 51 3.516 -6.876 -9.648 1.00 0.00 C ATOM 1884 C ALA B 51 4.061 -8.287 -9.851 1.00 0.00 C ATOM 1885 O ALA B 51 3.595 -9.239 -9.256 1.00 0.00 O ATOM 1886 CB ALA B 51 2.374 -6.601 -10.623 1.00 0.00 C ATOM 0 H ALA B 51 4.482 -5.490 -10.941 1.00 0.00 H new ATOM 0 HA ALA B 51 3.194 -6.798 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.555 -7.293 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA B 51 2.023 -5.577 -10.493 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.728 -6.736 -11.645 1.00 0.00 H new