USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 142:sc= -0.107! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -12.1! C(o=-12!,f=-22!) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.187) USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= -3.33 F(o=-4.2!,f=-3.3) USER MOD Single : A 36 ASN : amide:sc= -1.9! C(o=-1.9!,f=-8.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.353 F(o=-1.9,f=-0.35) USER MOD Single : A 45 CYS SG : rot -30:sc= -3.58! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-6.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -143:sc= -0.457 (180deg=-2.2!) USER MOD Single : A 55 MET CE :methyl -128:sc= -0.365 (180deg=-1.28) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -152:sc= -0.136 (180deg=-0.972) USER MOD Single : A 65 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1) USER MOD Single : A 70 GLN :FLIP amide:sc= -1 F(o=-4.1!,f=-1) USER MOD Single : A 71 TYR OH : rot 150:sc= -1.63! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -121:sc= -4.55! (180deg=-8.59!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.118! USER MOD Single : A 89 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -4.48! C(o=-4.5!,f=-6.5!) USER MOD Single : A 112 THR OG1 : rot -100:sc= -4.19! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -123:sc= -0.116 (180deg=-0.678) USER MOD Single : A 122 TYR OH : rot -15:sc= -2.1! USER MOD Single : A 126 MET CE :methyl 153:sc= -0.433 (180deg=-0.698) USER MOD Single : A 131 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0884) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -2.119 -17.802 -11.629 1.00 0.00 N ATOM 2 CA ASN A 36 -1.541 -17.549 -12.980 1.00 0.00 C ATOM 3 C ASN A 36 -2.031 -16.205 -13.515 1.00 0.00 C ATOM 4 O ASN A 36 -1.891 -15.899 -14.683 1.00 0.00 O ATOM 5 CB ASN A 36 -2.052 -18.695 -13.852 1.00 0.00 C ATOM 6 CG ASN A 36 -3.567 -18.571 -14.017 1.00 0.00 C ATOM 7 OD1 ASN A 36 -4.171 -17.641 -13.520 1.00 0.00 O ATOM 8 ND2 ASN A 36 -4.214 -19.478 -14.698 1.00 0.00 N ATOM 0 HA ASN A 36 -0.452 -17.508 -12.964 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.566 -18.669 -14.827 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.802 -19.653 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.225 -19.405 -14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.708 -20.259 -15.116 1.00 0.00 H new ATOM 15 N ALA A 37 -2.607 -15.400 -12.668 1.00 0.00 N ATOM 16 CA ALA A 37 -3.106 -14.075 -13.122 1.00 0.00 C ATOM 17 C ALA A 37 -2.201 -12.969 -12.585 1.00 0.00 C ATOM 18 O ALA A 37 -1.409 -13.182 -11.688 1.00 0.00 O ATOM 19 CB ALA A 37 -4.510 -13.958 -12.531 1.00 0.00 C ATOM 0 H ALA A 37 -2.754 -15.603 -11.679 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.116 -13.981 -14.208 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.949 -13.003 -12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.131 -14.772 -12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.453 -14.015 -11.444 1.00 0.00 H new ATOM 25 N VAL A 38 -2.309 -11.794 -13.127 1.00 0.00 N ATOM 26 CA VAL A 38 -1.453 -10.675 -12.651 1.00 0.00 C ATOM 27 C VAL A 38 -2.287 -9.402 -12.518 1.00 0.00 C ATOM 28 O VAL A 38 -3.346 -9.283 -13.096 1.00 0.00 O ATOM 29 CB VAL A 38 -0.384 -10.512 -13.733 1.00 0.00 C ATOM 30 CG1 VAL A 38 0.239 -11.874 -14.043 1.00 0.00 C ATOM 31 CG2 VAL A 38 -1.020 -9.947 -15.008 1.00 0.00 C ATOM 0 H VAL A 38 -2.954 -11.557 -13.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.013 -10.870 -11.673 1.00 0.00 H new ATOM 0 HB VAL A 38 0.386 -9.827 -13.377 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.001 -11.759 -14.814 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.695 -12.279 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.534 -12.556 -14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.255 -9.832 -15.776 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.792 -10.630 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.466 -8.976 -14.793 1.00 0.00 H new ATOM 41 N LYS A 39 -1.811 -8.439 -11.780 1.00 0.00 N ATOM 42 CA LYS A 39 -2.578 -7.171 -11.636 1.00 0.00 C ATOM 43 C LYS A 39 -1.994 -6.115 -12.573 1.00 0.00 C ATOM 44 O LYS A 39 -0.881 -5.660 -12.395 1.00 0.00 O ATOM 45 CB LYS A 39 -2.407 -6.757 -10.175 1.00 0.00 C ATOM 46 CG LYS A 39 -3.331 -7.598 -9.291 1.00 0.00 C ATOM 47 CD LYS A 39 -4.453 -6.717 -8.739 1.00 0.00 C ATOM 48 CE LYS A 39 -3.869 -5.692 -7.763 1.00 0.00 C ATOM 49 NZ LYS A 39 -5.018 -4.817 -7.392 1.00 0.00 N ATOM 0 H LYS A 39 -0.927 -8.475 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.631 -7.286 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.370 -6.893 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.639 -5.698 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.752 -8.422 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.764 -8.039 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.963 -6.207 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.197 -7.333 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.444 -6.180 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.068 -5.117 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.697 -4.087 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.397 -4.361 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.762 -5.391 -6.947 1.00 0.00 H new ATOM 63 N VAL A 40 -2.729 -5.728 -13.579 1.00 0.00 N ATOM 64 CA VAL A 40 -2.196 -4.708 -14.531 1.00 0.00 C ATOM 65 C VAL A 40 -3.174 -3.548 -14.713 1.00 0.00 C ATOM 66 O VAL A 40 -4.334 -3.735 -15.017 1.00 0.00 O ATOM 67 CB VAL A 40 -1.994 -5.449 -15.858 1.00 0.00 C ATOM 68 CG1 VAL A 40 -3.279 -6.166 -16.267 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.608 -4.444 -16.946 1.00 0.00 C ATOM 0 H VAL A 40 -3.668 -6.069 -13.784 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.269 -4.272 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.201 -6.186 -15.734 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.120 -6.687 -17.211 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.555 -6.886 -15.497 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.080 -5.437 -16.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.464 -4.968 -17.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.402 -3.706 -17.058 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.683 -3.941 -16.665 1.00 0.00 H new ATOM 79 N ARG A 41 -2.695 -2.346 -14.550 1.00 0.00 N ATOM 80 CA ARG A 41 -3.563 -1.149 -14.735 1.00 0.00 C ATOM 81 C ARG A 41 -2.992 -0.310 -15.878 1.00 0.00 C ATOM 82 O ARG A 41 -1.799 -0.083 -15.947 1.00 0.00 O ATOM 83 CB ARG A 41 -3.485 -0.383 -13.412 1.00 0.00 C ATOM 84 CG ARG A 41 -4.108 -1.221 -12.292 1.00 0.00 C ATOM 85 CD ARG A 41 -4.569 -0.297 -11.160 1.00 0.00 C ATOM 86 NE ARG A 41 -3.329 0.382 -10.694 1.00 0.00 N ATOM 87 CZ ARG A 41 -3.409 1.451 -9.950 1.00 0.00 C ATOM 88 NH1 ARG A 41 -4.354 2.326 -10.164 1.00 0.00 N ATOM 89 NH2 ARG A 41 -2.544 1.645 -8.992 1.00 0.00 N ATOM 0 H ARG A 41 -1.729 -2.140 -14.294 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.594 -1.401 -14.981 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.446 -0.155 -13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.008 0.569 -13.501 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.953 -1.792 -12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.382 -1.941 -11.915 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.306 0.424 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.037 -0.862 -10.354 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.416 0.011 -10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.030 2.174 -10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.417 3.162 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.806 0.961 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.606 2.481 -8.410 1.00 0.00 H new ATOM 103 N HIS A 42 -3.808 0.143 -16.790 1.00 0.00 N ATOM 104 CA HIS A 42 -3.249 0.944 -17.915 1.00 0.00 C ATOM 105 C HIS A 42 -4.099 2.179 -18.206 1.00 0.00 C ATOM 106 O HIS A 42 -5.249 2.269 -17.826 1.00 0.00 O ATOM 107 CB HIS A 42 -3.257 -0.002 -19.121 1.00 0.00 C ATOM 108 CG HIS A 42 -4.620 -0.028 -19.766 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.816 -0.572 -19.371 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -4.863 0.571 -20.992 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -6.788 -0.319 -20.336 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -6.160 0.374 -21.291 1.00 0.00 N flip ATOM 0 H HIS A 42 -4.817 -0.003 -16.807 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.251 1.313 -17.678 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.511 0.320 -19.848 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.980 -1.007 -18.803 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.142 1.100 -21.598 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.826 -0.618 -20.317 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.609 0.712 -22.142 1.00 0.00 H new ATOM 120 N ILE A 43 -3.535 3.113 -18.914 1.00 0.00 N ATOM 121 CA ILE A 43 -4.290 4.336 -19.284 1.00 0.00 C ATOM 122 C ILE A 43 -4.420 4.383 -20.805 1.00 0.00 C ATOM 123 O ILE A 43 -3.432 4.370 -21.518 1.00 0.00 O ATOM 124 CB ILE A 43 -3.447 5.509 -18.782 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.428 5.513 -17.250 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.053 6.820 -19.284 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.120 6.137 -16.758 1.00 0.00 C ATOM 0 H ILE A 43 -2.574 3.080 -19.255 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.291 4.363 -18.854 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.428 5.408 -19.156 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.279 6.076 -16.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.523 4.495 -16.872 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.454 7.658 -18.927 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.066 6.821 -20.374 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.072 6.917 -18.909 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.106 6.140 -15.668 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.277 5.555 -17.130 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.045 7.161 -17.125 1.00 0.00 H new ATOM 139 N LEU A 44 -5.624 4.423 -21.306 1.00 0.00 N ATOM 140 CA LEU A 44 -5.812 4.462 -22.782 1.00 0.00 C ATOM 141 C LEU A 44 -6.137 5.888 -23.228 1.00 0.00 C ATOM 142 O LEU A 44 -7.256 6.350 -23.109 1.00 0.00 O ATOM 143 CB LEU A 44 -6.983 3.519 -23.070 1.00 0.00 C ATOM 144 CG LEU A 44 -6.866 2.990 -24.502 1.00 0.00 C ATOM 145 CD1 LEU A 44 -7.729 1.739 -24.674 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.342 4.061 -25.479 1.00 0.00 C ATOM 0 H LEU A 44 -6.484 4.430 -20.757 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.915 4.156 -23.321 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.980 2.690 -22.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.929 4.045 -22.940 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.824 2.739 -24.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.638 1.372 -25.696 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.394 0.968 -23.980 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.771 1.985 -24.468 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.259 3.686 -26.499 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.382 4.310 -25.267 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.725 4.953 -25.370 1.00 0.00 H new ATOM 158 N CYS A 45 -5.165 6.586 -23.748 1.00 0.00 N ATOM 159 CA CYS A 45 -5.407 7.982 -24.211 1.00 0.00 C ATOM 160 C CYS A 45 -5.558 8.005 -25.731 1.00 0.00 C ATOM 161 O CYS A 45 -5.175 7.080 -26.419 1.00 0.00 O ATOM 162 CB CYS A 45 -4.164 8.766 -23.786 1.00 0.00 C ATOM 163 SG CYS A 45 -3.835 8.478 -22.028 1.00 0.00 S ATOM 0 H CYS A 45 -4.211 6.249 -23.873 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.317 8.407 -23.788 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.305 8.457 -24.382 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.313 9.830 -23.969 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.955 8.254 -21.408 1.00 0.00 H new ATOM 169 N GLU A 46 -6.112 9.059 -26.263 1.00 0.00 N ATOM 170 CA GLU A 46 -6.285 9.141 -27.739 1.00 0.00 C ATOM 171 C GLU A 46 -4.913 9.143 -28.424 1.00 0.00 C ATOM 172 O GLU A 46 -3.894 9.323 -27.788 1.00 0.00 O ATOM 173 CB GLU A 46 -7.024 10.458 -27.973 1.00 0.00 C ATOM 174 CG GLU A 46 -8.376 10.417 -27.256 1.00 0.00 C ATOM 175 CD GLU A 46 -9.281 11.522 -27.805 1.00 0.00 C ATOM 176 OE1 GLU A 46 -8.815 12.286 -28.634 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.425 11.586 -27.387 1.00 0.00 O ATOM 0 H GLU A 46 -6.452 9.866 -25.740 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.837 8.295 -28.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.429 11.293 -27.603 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.171 10.621 -29.041 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.846 9.444 -27.399 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.234 10.548 -26.183 1.00 0.00 H new ATOM 184 N LYS A 47 -4.876 8.925 -29.710 1.00 0.00 N ATOM 185 CA LYS A 47 -3.562 8.892 -30.423 1.00 0.00 C ATOM 186 C LYS A 47 -3.162 10.284 -30.924 1.00 0.00 C ATOM 187 O LYS A 47 -2.991 10.495 -32.108 1.00 0.00 O ATOM 188 CB LYS A 47 -3.787 7.957 -31.611 1.00 0.00 C ATOM 189 CG LYS A 47 -2.498 7.860 -32.428 1.00 0.00 C ATOM 190 CD LYS A 47 -2.825 7.884 -33.922 1.00 0.00 C ATOM 191 CE LYS A 47 -1.522 7.877 -34.723 1.00 0.00 C ATOM 192 NZ LYS A 47 -1.916 8.256 -36.108 1.00 0.00 N ATOM 0 H LYS A 47 -5.694 8.769 -30.298 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.760 8.558 -29.765 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.084 6.969 -31.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.599 8.331 -32.234 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.836 8.689 -32.179 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.967 6.942 -32.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.433 7.019 -34.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.410 8.771 -34.164 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.802 8.584 -34.311 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.052 6.894 -34.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.073 8.272 -36.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.596 7.562 -36.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.354 9.199 -36.098 1.00 0.00 H new ATOM 206 N HIS A 48 -3.030 11.246 -30.050 1.00 0.00 N ATOM 207 CA HIS A 48 -2.667 12.615 -30.525 1.00 0.00 C ATOM 208 C HIS A 48 -1.587 13.251 -29.641 1.00 0.00 C ATOM 209 O HIS A 48 -1.818 14.237 -28.971 1.00 0.00 O ATOM 210 CB HIS A 48 -3.977 13.396 -30.451 1.00 0.00 C ATOM 211 CG HIS A 48 -5.050 12.558 -31.088 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.102 12.032 -30.363 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.201 12.088 -32.368 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.831 11.274 -31.201 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.329 11.277 -32.438 1.00 0.00 N ATOM 0 H HIS A 48 -3.155 11.148 -29.043 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.244 12.605 -31.530 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.231 13.618 -29.415 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.882 14.351 -30.967 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.544 12.313 -33.195 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.716 10.728 -30.909 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.694 10.790 -33.257 1.00 0.00 H new ATOM 223 N GLY A 49 -0.404 12.699 -29.655 1.00 0.00 N ATOM 224 CA GLY A 49 0.709 13.268 -28.841 1.00 0.00 C ATOM 225 C GLY A 49 0.298 13.392 -27.371 1.00 0.00 C ATOM 226 O GLY A 49 0.796 14.234 -26.650 1.00 0.00 O ATOM 0 H GLY A 49 -0.159 11.872 -30.199 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.590 12.631 -28.925 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.986 14.248 -29.230 1.00 0.00 H new ATOM 230 N LYS A 50 -0.588 12.553 -26.911 1.00 0.00 N ATOM 231 CA LYS A 50 -1.001 12.623 -25.481 1.00 0.00 C ATOM 232 C LYS A 50 -0.153 11.649 -24.657 1.00 0.00 C ATOM 233 O LYS A 50 -0.394 11.433 -23.485 1.00 0.00 O ATOM 234 CB LYS A 50 -2.474 12.208 -25.466 1.00 0.00 C ATOM 235 CG LYS A 50 -3.313 13.273 -26.177 1.00 0.00 C ATOM 236 CD LYS A 50 -4.125 14.060 -25.146 1.00 0.00 C ATOM 237 CE LYS A 50 -5.482 13.382 -24.934 1.00 0.00 C ATOM 238 NZ LYS A 50 -5.530 13.071 -23.478 1.00 0.00 N ATOM 0 H LYS A 50 -1.043 11.824 -27.461 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.864 13.616 -25.052 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.596 11.244 -25.960 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.818 12.085 -24.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.665 13.948 -26.736 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.981 12.802 -26.898 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.582 14.111 -24.203 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.269 15.085 -25.487 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.302 14.039 -25.225 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.570 12.477 -25.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.431 12.604 -23.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.741 12.439 -23.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.451 13.953 -22.932 1.00 0.00 H new ATOM 252 N ILE A 51 0.840 11.060 -25.271 1.00 0.00 N ATOM 253 CA ILE A 51 1.716 10.095 -24.547 1.00 0.00 C ATOM 254 C ILE A 51 2.451 10.792 -23.399 1.00 0.00 C ATOM 255 O ILE A 51 2.446 10.330 -22.276 1.00 0.00 O ATOM 256 CB ILE A 51 2.712 9.615 -25.603 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.952 8.952 -26.755 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.679 8.606 -24.980 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.815 8.974 -28.017 1.00 0.00 C ATOM 0 H ILE A 51 1.082 11.208 -26.251 1.00 0.00 H new ATOM 0 HA ILE A 51 1.151 9.275 -24.104 1.00 0.00 H new ATOM 0 HB ILE A 51 3.277 10.467 -25.981 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.698 7.925 -26.493 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.013 9.476 -26.935 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.387 8.266 -25.736 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.221 9.079 -24.161 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.118 7.753 -24.598 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.273 8.502 -28.837 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.046 10.006 -28.282 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.742 8.430 -27.834 1.00 0.00 H new ATOM 271 N MET A 52 3.088 11.894 -23.678 1.00 0.00 N ATOM 272 CA MET A 52 3.834 12.623 -22.609 1.00 0.00 C ATOM 273 C MET A 52 2.863 13.240 -21.599 1.00 0.00 C ATOM 274 O MET A 52 3.164 13.364 -20.429 1.00 0.00 O ATOM 275 CB MET A 52 4.599 13.721 -23.346 1.00 0.00 C ATOM 276 CG MET A 52 5.643 13.092 -24.269 1.00 0.00 C ATOM 277 SD MET A 52 6.307 14.357 -25.380 1.00 0.00 S ATOM 278 CE MET A 52 4.761 14.738 -26.238 1.00 0.00 C ATOM 0 H MET A 52 3.126 12.324 -24.602 1.00 0.00 H new ATOM 0 HA MET A 52 4.494 11.962 -22.047 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.908 14.332 -23.926 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.085 14.383 -22.629 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.447 12.652 -23.679 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.194 12.285 -24.847 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.968 14.935 -27.290 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.080 13.891 -26.155 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.302 15.618 -25.787 1.00 0.00 H new ATOM 288 N GLU A 53 1.705 13.637 -22.045 1.00 0.00 N ATOM 289 CA GLU A 53 0.717 14.258 -21.118 1.00 0.00 C ATOM 290 C GLU A 53 0.290 13.266 -20.029 1.00 0.00 C ATOM 291 O GLU A 53 0.279 13.584 -18.856 1.00 0.00 O ATOM 292 CB GLU A 53 -0.475 14.616 -22.005 1.00 0.00 C ATOM 293 CG GLU A 53 -1.557 15.294 -21.162 1.00 0.00 C ATOM 294 CD GLU A 53 -2.418 16.185 -22.057 1.00 0.00 C ATOM 295 OE1 GLU A 53 -1.857 17.048 -22.715 1.00 0.00 O ATOM 296 OE2 GLU A 53 -3.621 15.992 -22.071 1.00 0.00 O ATOM 0 H GLU A 53 1.398 13.558 -23.015 1.00 0.00 H new ATOM 0 HA GLU A 53 1.131 15.125 -20.603 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.157 15.280 -22.809 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.875 13.717 -22.474 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.178 14.542 -20.675 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.098 15.889 -20.372 1.00 0.00 H new ATOM 303 N ALA A 54 -0.079 12.076 -20.409 1.00 0.00 N ATOM 304 CA ALA A 54 -0.525 11.074 -19.396 1.00 0.00 C ATOM 305 C ALA A 54 0.645 10.593 -18.529 1.00 0.00 C ATOM 306 O ALA A 54 0.566 10.587 -17.317 1.00 0.00 O ATOM 307 CB ALA A 54 -1.091 9.917 -20.218 1.00 0.00 C ATOM 0 H ALA A 54 -0.092 11.751 -21.376 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.256 11.497 -18.707 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.443 9.133 -19.548 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.922 10.275 -20.826 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.312 9.517 -20.867 1.00 0.00 H new ATOM 313 N MET A 55 1.720 10.168 -19.134 1.00 0.00 N ATOM 314 CA MET A 55 2.877 9.667 -18.332 1.00 0.00 C ATOM 315 C MET A 55 3.508 10.792 -17.500 1.00 0.00 C ATOM 316 O MET A 55 3.831 10.608 -16.343 1.00 0.00 O ATOM 317 CB MET A 55 3.872 9.132 -19.363 1.00 0.00 C ATOM 318 CG MET A 55 4.442 10.295 -20.176 1.00 0.00 C ATOM 319 SD MET A 55 5.522 9.650 -21.480 1.00 0.00 S ATOM 320 CE MET A 55 6.839 9.034 -20.403 1.00 0.00 C ATOM 0 H MET A 55 1.849 10.145 -20.146 1.00 0.00 H new ATOM 0 HA MET A 55 2.571 8.901 -17.619 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.678 8.596 -18.862 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.379 8.420 -20.024 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.632 10.877 -20.615 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.001 10.967 -19.526 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.798 9.428 -20.739 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.653 9.358 -19.379 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.861 7.945 -20.441 1.00 0.00 H new ATOM 330 N GLU A 56 3.697 11.949 -18.074 1.00 0.00 N ATOM 331 CA GLU A 56 4.316 13.068 -17.300 1.00 0.00 C ATOM 332 C GLU A 56 3.402 13.500 -16.148 1.00 0.00 C ATOM 333 O GLU A 56 3.854 13.769 -15.053 1.00 0.00 O ATOM 334 CB GLU A 56 4.484 14.207 -18.307 1.00 0.00 C ATOM 335 CG GLU A 56 5.145 15.401 -17.613 1.00 0.00 C ATOM 336 CD GLU A 56 5.423 16.502 -18.638 1.00 0.00 C ATOM 337 OE1 GLU A 56 4.701 16.569 -19.617 1.00 0.00 O ATOM 338 OE2 GLU A 56 6.356 17.259 -18.424 1.00 0.00 O ATOM 0 H GLU A 56 3.452 12.169 -19.039 1.00 0.00 H new ATOM 0 HA GLU A 56 5.266 12.775 -16.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.094 13.877 -19.148 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.514 14.497 -18.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.496 15.781 -16.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.075 15.089 -17.138 1.00 0.00 H new ATOM 345 N LYS A 57 2.121 13.573 -16.384 1.00 0.00 N ATOM 346 CA LYS A 57 1.186 13.992 -15.299 1.00 0.00 C ATOM 347 C LYS A 57 1.269 13.023 -14.117 1.00 0.00 C ATOM 348 O LYS A 57 1.522 13.415 -12.995 1.00 0.00 O ATOM 349 CB LYS A 57 -0.204 13.940 -15.929 1.00 0.00 C ATOM 350 CG LYS A 57 -0.440 15.209 -16.748 1.00 0.00 C ATOM 351 CD LYS A 57 -0.771 16.369 -15.809 1.00 0.00 C ATOM 352 CE LYS A 57 -0.991 17.642 -16.630 1.00 0.00 C ATOM 353 NZ LYS A 57 -1.457 18.659 -15.646 1.00 0.00 N ATOM 0 H LYS A 57 1.681 13.361 -17.279 1.00 0.00 H new ATOM 0 HA LYS A 57 1.426 14.983 -14.915 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.293 13.061 -16.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.964 13.849 -15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.447 15.445 -17.336 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.257 15.053 -17.452 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.665 16.138 -15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.041 16.518 -15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.071 17.960 -17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.731 17.483 -17.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.629 19.561 -16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.338 18.333 -15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.729 18.794 -14.916 1.00 0.00 H new ATOM 367 N LEU A 58 1.051 11.760 -14.360 1.00 0.00 N ATOM 368 CA LEU A 58 1.108 10.765 -13.252 1.00 0.00 C ATOM 369 C LEU A 58 2.544 10.616 -12.733 1.00 0.00 C ATOM 370 O LEU A 58 2.779 10.053 -11.682 1.00 0.00 O ATOM 371 CB LEU A 58 0.599 9.455 -13.872 1.00 0.00 C ATOM 372 CG LEU A 58 1.739 8.744 -14.606 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.401 7.740 -13.666 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.188 8.002 -15.823 1.00 0.00 C ATOM 0 H LEU A 58 0.836 11.374 -15.279 1.00 0.00 H new ATOM 0 HA LEU A 58 0.507 11.065 -12.394 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.197 8.807 -13.093 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.216 9.664 -14.565 1.00 0.00 H new ATOM 0 HG LEU A 58 2.471 9.484 -14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.213 7.233 -14.188 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.799 8.263 -12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.664 7.005 -13.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.003 7.498 -16.342 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.454 7.265 -15.498 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.713 8.713 -16.499 1.00 0.00 H new ATOM 386 N LYS A 59 3.507 11.111 -13.461 1.00 0.00 N ATOM 387 CA LYS A 59 4.922 10.990 -13.005 1.00 0.00 C ATOM 388 C LYS A 59 5.191 9.559 -12.519 1.00 0.00 C ATOM 389 O LYS A 59 4.830 8.599 -13.170 1.00 0.00 O ATOM 390 CB LYS A 59 5.062 11.996 -11.858 1.00 0.00 C ATOM 391 CG LYS A 59 4.682 13.398 -12.347 1.00 0.00 C ATOM 392 CD LYS A 59 4.970 14.422 -11.245 1.00 0.00 C ATOM 393 CE LYS A 59 6.241 15.207 -11.588 1.00 0.00 C ATOM 394 NZ LYS A 59 6.396 16.210 -10.493 1.00 0.00 N ATOM 0 H LYS A 59 3.376 11.593 -14.350 1.00 0.00 H new ATOM 0 HA LYS A 59 5.637 11.194 -13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.420 11.705 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.086 11.996 -11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.247 13.647 -13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.626 13.426 -12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.127 15.105 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.091 13.916 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.107 14.548 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.151 15.695 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.247 16.782 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.561 16.830 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.488 15.718 -9.582 1.00 0.00 H new ATOM 408 N SER A 60 5.821 9.401 -11.385 1.00 0.00 N ATOM 409 CA SER A 60 6.104 8.025 -10.880 1.00 0.00 C ATOM 410 C SER A 60 4.800 7.238 -10.726 1.00 0.00 C ATOM 411 O SER A 60 4.794 6.023 -10.715 1.00 0.00 O ATOM 412 CB SER A 60 6.776 8.227 -9.523 1.00 0.00 C ATOM 413 OG SER A 60 5.872 8.881 -8.644 1.00 0.00 O ATOM 0 H SER A 60 6.150 10.161 -10.789 1.00 0.00 H new ATOM 0 HA SER A 60 6.736 7.458 -11.563 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.075 7.265 -9.106 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.683 8.821 -9.638 1.00 0.00 H new ATOM 0 HG SER A 60 6.300 9.010 -7.772 1.00 0.00 H new ATOM 419 N GLY A 61 3.691 7.919 -10.611 1.00 0.00 N ATOM 420 CA GLY A 61 2.390 7.205 -10.464 1.00 0.00 C ATOM 421 C GLY A 61 1.687 7.661 -9.184 1.00 0.00 C ATOM 422 O GLY A 61 0.705 7.080 -8.764 1.00 0.00 O ATOM 0 H GLY A 61 3.630 8.937 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.756 7.404 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.558 6.128 -10.433 1.00 0.00 H new ATOM 426 N MET A 62 2.174 8.699 -8.561 1.00 0.00 N ATOM 427 CA MET A 62 1.526 9.190 -7.311 1.00 0.00 C ATOM 428 C MET A 62 0.024 9.378 -7.541 1.00 0.00 C ATOM 429 O MET A 62 -0.793 8.971 -6.739 1.00 0.00 O ATOM 430 CB MET A 62 2.196 10.533 -7.021 1.00 0.00 C ATOM 431 CG MET A 62 1.798 11.008 -5.623 1.00 0.00 C ATOM 432 SD MET A 62 2.612 12.585 -5.264 1.00 0.00 S ATOM 433 CE MET A 62 4.290 11.934 -5.077 1.00 0.00 C ATOM 0 H MET A 62 2.992 9.228 -8.863 1.00 0.00 H new ATOM 0 HA MET A 62 1.638 8.492 -6.481 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.279 10.433 -7.089 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.897 11.270 -7.766 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.716 11.123 -5.561 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.082 10.263 -4.880 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.855 12.573 -4.399 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.245 10.924 -4.670 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.782 11.912 -6.049 1.00 0.00 H new ATOM 443 N ARG A 63 -0.344 9.984 -8.635 1.00 0.00 N ATOM 444 CA ARG A 63 -1.791 10.191 -8.923 1.00 0.00 C ATOM 445 C ARG A 63 -2.224 9.295 -10.083 1.00 0.00 C ATOM 446 O ARG A 63 -3.095 9.641 -10.853 1.00 0.00 O ATOM 447 CB ARG A 63 -1.914 11.663 -9.317 1.00 0.00 C ATOM 448 CG ARG A 63 -2.136 12.508 -8.063 1.00 0.00 C ATOM 449 CD ARG A 63 -1.651 13.935 -8.323 1.00 0.00 C ATOM 450 NE ARG A 63 -2.498 14.430 -9.446 1.00 0.00 N ATOM 451 CZ ARG A 63 -2.956 15.652 -9.431 1.00 0.00 C ATOM 452 NH1 ARG A 63 -3.554 16.111 -8.365 1.00 0.00 N ATOM 453 NH2 ARG A 63 -2.817 16.418 -10.479 1.00 0.00 N ATOM 0 H ARG A 63 0.295 10.345 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.421 9.944 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.011 11.989 -9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.744 11.797 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.193 12.514 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.597 12.076 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.766 14.559 -7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.594 13.951 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.720 13.813 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.663 15.515 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.912 17.066 -8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.349 16.062 -11.313 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.176 17.373 -10.464 1.00 0.00 H new ATOM 467 N PHE A 64 -1.620 8.146 -10.218 1.00 0.00 N ATOM 468 CA PHE A 64 -2.002 7.238 -11.335 1.00 0.00 C ATOM 469 C PHE A 64 -3.521 7.089 -11.389 1.00 0.00 C ATOM 470 O PHE A 64 -4.131 7.230 -12.429 1.00 0.00 O ATOM 471 CB PHE A 64 -1.342 5.897 -11.018 1.00 0.00 C ATOM 472 CG PHE A 64 -1.442 5.001 -12.229 1.00 0.00 C ATOM 473 CD1 PHE A 64 -0.596 5.211 -13.324 1.00 0.00 C ATOM 474 CD2 PHE A 64 -2.380 3.963 -12.257 1.00 0.00 C ATOM 475 CE1 PHE A 64 -0.688 4.383 -14.449 1.00 0.00 C ATOM 476 CE2 PHE A 64 -2.471 3.135 -13.383 1.00 0.00 C ATOM 477 CZ PHE A 64 -1.624 3.345 -14.478 1.00 0.00 C ATOM 0 H PHE A 64 -0.882 7.798 -9.606 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.681 7.622 -12.303 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.297 6.047 -10.746 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.830 5.430 -10.163 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.128 6.012 -13.301 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.033 3.801 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.036 4.546 -15.294 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.195 2.334 -13.407 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.694 2.705 -15.345 1.00 0.00 H new ATOM 487 N ASN A 65 -4.141 6.809 -10.275 1.00 0.00 N ATOM 488 CA ASN A 65 -5.621 6.662 -10.280 1.00 0.00 C ATOM 489 C ASN A 65 -6.258 7.956 -10.792 1.00 0.00 C ATOM 490 O ASN A 65 -7.125 7.938 -11.644 1.00 0.00 O ATOM 491 CB ASN A 65 -6.011 6.397 -8.825 1.00 0.00 C ATOM 492 CG ASN A 65 -7.503 6.070 -8.754 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.036 5.419 -9.631 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.206 6.499 -7.742 1.00 0.00 N ATOM 0 H ASN A 65 -3.690 6.677 -9.370 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.960 5.855 -10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.426 5.569 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.789 7.270 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.202 6.288 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.759 7.045 -7.006 1.00 0.00 H new ATOM 501 N GLU A 66 -5.821 9.081 -10.293 1.00 0.00 N ATOM 502 CA GLU A 66 -6.386 10.376 -10.767 1.00 0.00 C ATOM 503 C GLU A 66 -6.088 10.542 -12.257 1.00 0.00 C ATOM 504 O GLU A 66 -6.921 10.974 -13.028 1.00 0.00 O ATOM 505 CB GLU A 66 -5.660 11.449 -9.957 1.00 0.00 C ATOM 506 CG GLU A 66 -6.166 11.429 -8.515 1.00 0.00 C ATOM 507 CD GLU A 66 -5.355 10.415 -7.706 1.00 0.00 C ATOM 508 OE1 GLU A 66 -4.560 9.709 -8.306 1.00 0.00 O ATOM 509 OE2 GLU A 66 -5.544 10.359 -6.503 1.00 0.00 O ATOM 0 H GLU A 66 -5.098 9.159 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.467 10.436 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.585 11.271 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.830 12.431 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.075 12.421 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.224 11.166 -8.493 1.00 0.00 H new ATOM 516 N VAL A 67 -4.900 10.190 -12.663 1.00 0.00 N ATOM 517 CA VAL A 67 -4.529 10.308 -14.101 1.00 0.00 C ATOM 518 C VAL A 67 -5.383 9.340 -14.925 1.00 0.00 C ATOM 519 O VAL A 67 -5.909 9.685 -15.963 1.00 0.00 O ATOM 520 CB VAL A 67 -3.044 9.920 -14.152 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.597 9.761 -15.606 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.210 11.016 -13.486 1.00 0.00 C ATOM 0 H VAL A 67 -4.166 9.824 -12.057 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.695 11.305 -14.509 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.903 8.976 -13.626 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.543 9.486 -15.635 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.189 8.981 -16.085 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.741 10.703 -16.136 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.155 10.743 -13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.358 11.958 -14.014 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.521 11.130 -12.448 1.00 0.00 H new ATOM 532 N ALA A 68 -5.536 8.133 -14.459 1.00 0.00 N ATOM 533 CA ALA A 68 -6.364 7.142 -15.203 1.00 0.00 C ATOM 534 C ALA A 68 -7.784 7.680 -15.391 1.00 0.00 C ATOM 535 O ALA A 68 -8.308 7.708 -16.487 1.00 0.00 O ATOM 536 CB ALA A 68 -6.377 5.899 -14.310 1.00 0.00 C ATOM 0 H ALA A 68 -5.123 7.788 -13.593 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.970 6.930 -16.197 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.968 5.116 -14.785 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.356 5.545 -14.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.816 6.149 -13.344 1.00 0.00 H new ATOM 542 N ALA A 69 -8.410 8.106 -14.328 1.00 0.00 N ATOM 543 CA ALA A 69 -9.799 8.641 -14.433 1.00 0.00 C ATOM 544 C ALA A 69 -9.841 9.848 -15.377 1.00 0.00 C ATOM 545 O ALA A 69 -10.700 9.954 -16.229 1.00 0.00 O ATOM 546 CB ALA A 69 -10.159 9.068 -13.007 1.00 0.00 C ATOM 0 H ALA A 69 -8.018 8.107 -13.386 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.495 7.904 -14.834 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.170 9.475 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.107 8.204 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.457 9.829 -12.667 1.00 0.00 H new ATOM 552 N GLN A 70 -8.927 10.765 -15.218 1.00 0.00 N ATOM 553 CA GLN A 70 -8.915 11.978 -16.089 1.00 0.00 C ATOM 554 C GLN A 70 -8.435 11.641 -17.505 1.00 0.00 C ATOM 555 O GLN A 70 -8.797 12.298 -18.462 1.00 0.00 O ATOM 556 CB GLN A 70 -7.934 12.933 -15.407 1.00 0.00 C ATOM 557 CG GLN A 70 -8.457 13.322 -14.024 1.00 0.00 C ATOM 558 CD GLN A 70 -9.929 13.707 -14.130 1.00 0.00 C ATOM 559 OE1 GLN A 70 -10.826 12.765 -14.191 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -10.265 14.873 -14.158 1.00 0.00 N flip ATOM 0 H GLN A 70 -8.184 10.728 -14.520 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.911 12.407 -16.200 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.957 12.459 -15.315 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.799 13.826 -16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.336 12.490 -13.330 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.879 14.156 -13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.560 15.608 -14.110 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.253 15.118 -14.229 1.00 0.00 H new ATOM 569 N TYR A 71 -7.617 10.635 -17.651 1.00 0.00 N ATOM 570 CA TYR A 71 -7.116 10.283 -19.014 1.00 0.00 C ATOM 571 C TYR A 71 -7.744 8.975 -19.505 1.00 0.00 C ATOM 572 O TYR A 71 -7.297 8.391 -20.472 1.00 0.00 O ATOM 573 CB TYR A 71 -5.604 10.121 -18.850 1.00 0.00 C ATOM 574 CG TYR A 71 -4.975 11.480 -18.672 1.00 0.00 C ATOM 575 CD1 TYR A 71 -4.822 12.329 -19.775 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.550 11.894 -17.405 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.245 13.593 -19.609 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.972 13.157 -17.239 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.820 14.008 -18.341 1.00 0.00 C ATOM 580 OH TYR A 71 -3.254 15.254 -18.176 1.00 0.00 O ATOM 0 H TYR A 71 -7.275 10.044 -16.893 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.372 11.045 -19.750 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.385 9.490 -17.988 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.183 9.624 -19.724 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.149 12.009 -20.753 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.668 11.238 -16.555 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.127 14.249 -20.459 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.643 13.476 -16.261 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.448 15.585 -17.274 1.00 0.00 H new ATOM 590 N SER A 72 -8.778 8.513 -18.858 1.00 0.00 N ATOM 591 CA SER A 72 -9.424 7.249 -19.309 1.00 0.00 C ATOM 592 C SER A 72 -10.323 7.526 -20.515 1.00 0.00 C ATOM 593 O SER A 72 -11.400 8.075 -20.384 1.00 0.00 O ATOM 594 CB SER A 72 -10.257 6.777 -18.115 1.00 0.00 C ATOM 595 OG SER A 72 -11.204 5.813 -18.556 1.00 0.00 O ATOM 0 H SER A 72 -9.202 8.953 -18.041 1.00 0.00 H new ATOM 0 HA SER A 72 -8.696 6.498 -19.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.609 6.345 -17.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.769 7.623 -17.656 1.00 0.00 H new ATOM 0 HG SER A 72 -11.739 5.507 -17.794 1.00 0.00 H new ATOM 601 N GLU A 73 -9.895 7.147 -21.687 1.00 0.00 N ATOM 602 CA GLU A 73 -10.733 7.385 -22.896 1.00 0.00 C ATOM 603 C GLU A 73 -11.440 6.092 -23.296 1.00 0.00 C ATOM 604 O GLU A 73 -12.162 6.042 -24.272 1.00 0.00 O ATOM 605 CB GLU A 73 -9.749 7.818 -23.984 1.00 0.00 C ATOM 606 CG GLU A 73 -10.523 8.310 -25.210 1.00 0.00 C ATOM 607 CD GLU A 73 -11.108 9.692 -24.926 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.899 10.188 -23.831 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.755 10.234 -25.807 1.00 0.00 O ATOM 0 H GLU A 73 -9.003 6.684 -21.860 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.504 8.136 -22.728 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.101 8.610 -23.608 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.105 6.983 -24.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.862 8.355 -26.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.321 7.609 -25.454 1.00 0.00 H new ATOM 616 N ASP A 74 -11.239 5.043 -22.548 1.00 0.00 N ATOM 617 CA ASP A 74 -11.906 3.758 -22.891 1.00 0.00 C ATOM 618 C ASP A 74 -13.092 3.515 -21.956 1.00 0.00 C ATOM 619 O ASP A 74 -13.504 2.394 -21.740 1.00 0.00 O ATOM 620 CB ASP A 74 -10.833 2.685 -22.697 1.00 0.00 C ATOM 621 CG ASP A 74 -10.319 2.723 -21.257 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.106 3.028 -20.376 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.149 2.444 -21.061 1.00 0.00 O ATOM 0 H ASP A 74 -10.645 5.020 -21.719 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.299 3.754 -23.908 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.245 1.701 -22.920 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.010 2.851 -23.392 1.00 0.00 H new ATOM 628 N LYS A 75 -13.642 4.562 -21.402 1.00 0.00 N ATOM 629 CA LYS A 75 -14.803 4.395 -20.480 1.00 0.00 C ATOM 630 C LYS A 75 -15.838 3.451 -21.093 1.00 0.00 C ATOM 631 O LYS A 75 -16.297 2.523 -20.457 1.00 0.00 O ATOM 632 CB LYS A 75 -15.389 5.797 -20.317 1.00 0.00 C ATOM 633 CG LYS A 75 -16.521 5.759 -19.289 1.00 0.00 C ATOM 634 CD LYS A 75 -17.007 7.182 -19.013 1.00 0.00 C ATOM 635 CE LYS A 75 -17.549 7.270 -17.586 1.00 0.00 C ATOM 636 NZ LYS A 75 -18.802 6.464 -17.603 1.00 0.00 N ATOM 0 H LYS A 75 -13.338 5.525 -21.548 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.507 3.963 -19.524 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.614 6.492 -19.995 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.764 6.160 -21.274 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.344 5.148 -19.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.173 5.297 -18.365 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.188 7.889 -19.146 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.785 7.456 -19.726 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.833 6.873 -16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.747 8.303 -17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.378 6.701 -16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.340 6.676 -18.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.564 5.452 -17.583 1.00 0.00 H new ATOM 650 N ALA A 76 -16.211 3.675 -22.324 1.00 0.00 N ATOM 651 CA ALA A 76 -17.215 2.779 -22.964 1.00 0.00 C ATOM 652 C ALA A 76 -16.870 1.319 -22.664 1.00 0.00 C ATOM 653 O ALA A 76 -17.701 0.552 -22.219 1.00 0.00 O ATOM 654 CB ALA A 76 -17.110 3.065 -24.462 1.00 0.00 C ATOM 0 H ALA A 76 -15.866 4.435 -22.911 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.226 2.952 -22.594 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -17.822 2.441 -25.002 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.334 4.115 -24.648 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.099 2.843 -24.805 1.00 0.00 H new ATOM 660 N ARG A 77 -15.645 0.933 -22.896 1.00 0.00 N ATOM 661 CA ARG A 77 -15.242 -0.473 -22.612 1.00 0.00 C ATOM 662 C ARG A 77 -14.958 -0.634 -21.115 1.00 0.00 C ATOM 663 O ARG A 77 -14.821 -1.730 -20.610 1.00 0.00 O ATOM 664 CB ARG A 77 -13.974 -0.692 -23.441 1.00 0.00 C ATOM 665 CG ARG A 77 -13.459 -2.116 -23.229 1.00 0.00 C ATOM 666 CD ARG A 77 -14.240 -3.079 -24.125 1.00 0.00 C ATOM 667 NE ARG A 77 -15.135 -3.826 -23.200 1.00 0.00 N ATOM 668 CZ ARG A 77 -15.982 -4.699 -23.673 1.00 0.00 C ATOM 669 NH1 ARG A 77 -17.163 -4.313 -24.074 1.00 0.00 N ATOM 670 NH2 ARG A 77 -15.647 -5.957 -23.746 1.00 0.00 N ATOM 0 H ARG A 77 -14.907 1.530 -23.269 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.016 -1.197 -22.867 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.185 -0.525 -24.497 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -13.209 0.029 -23.151 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.395 -2.168 -23.461 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.571 -2.403 -22.183 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.813 -2.539 -24.879 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.570 -3.754 -24.657 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.086 -3.656 -22.196 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.424 -3.329 -24.018 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.824 -4.996 -24.444 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.724 -6.258 -23.434 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.308 -6.640 -24.115 1.00 0.00 H new ATOM 684 N GLN A 78 -14.877 0.461 -20.405 1.00 0.00 N ATOM 685 CA GLN A 78 -14.612 0.401 -18.939 1.00 0.00 C ATOM 686 C GLN A 78 -13.346 -0.403 -18.655 1.00 0.00 C ATOM 687 O GLN A 78 -13.327 -1.270 -17.804 1.00 0.00 O ATOM 688 CB GLN A 78 -15.830 -0.298 -18.341 1.00 0.00 C ATOM 689 CG GLN A 78 -17.075 0.566 -18.556 1.00 0.00 C ATOM 690 CD GLN A 78 -16.889 1.913 -17.854 1.00 0.00 C ATOM 691 OE1 GLN A 78 -17.477 2.974 -18.337 1.00 0.00 O flip ATOM 692 NE2 GLN A 78 -16.201 2.003 -16.856 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.984 1.402 -20.783 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.458 1.393 -18.513 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -15.967 -1.274 -18.807 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.675 -0.472 -17.276 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -17.244 0.720 -19.622 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -17.956 0.058 -18.163 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.741 1.175 -16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.084 2.906 -16.397 1.00 0.00 H new ATOM 701 N GLY A 79 -12.285 -0.123 -19.358 1.00 0.00 N ATOM 702 CA GLY A 79 -11.023 -0.874 -19.118 1.00 0.00 C ATOM 703 C GLY A 79 -10.295 -0.278 -17.912 1.00 0.00 C ATOM 704 O GLY A 79 -10.311 -0.834 -16.833 1.00 0.00 O ATOM 0 H GLY A 79 -12.237 0.590 -20.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.242 -1.927 -18.940 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.386 -0.826 -20.001 1.00 0.00 H new ATOM 708 N GLY A 80 -9.657 0.848 -18.092 1.00 0.00 N ATOM 709 CA GLY A 80 -8.919 1.488 -16.966 1.00 0.00 C ATOM 710 C GLY A 80 -7.938 0.478 -16.376 1.00 0.00 C ATOM 711 O GLY A 80 -6.779 0.432 -16.739 1.00 0.00 O ATOM 0 H GLY A 80 -9.616 1.354 -18.977 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.384 2.370 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.618 1.825 -16.201 1.00 0.00 H new ATOM 715 N ASP A 81 -8.404 -0.341 -15.479 1.00 0.00 N ATOM 716 CA ASP A 81 -7.518 -1.368 -14.864 1.00 0.00 C ATOM 717 C ASP A 81 -7.915 -2.757 -15.367 1.00 0.00 C ATOM 718 O ASP A 81 -9.059 -3.004 -15.689 1.00 0.00 O ATOM 719 CB ASP A 81 -7.761 -1.244 -13.362 1.00 0.00 C ATOM 720 CG ASP A 81 -7.420 0.177 -12.913 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.701 0.847 -13.637 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.884 0.573 -11.858 1.00 0.00 O ATOM 0 H ASP A 81 -9.367 -0.344 -15.142 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.467 -1.226 -15.115 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.801 -1.472 -13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.148 -1.966 -12.822 1.00 0.00 H new ATOM 727 N LEU A 82 -6.982 -3.665 -15.440 1.00 0.00 N ATOM 728 CA LEU A 82 -7.318 -5.031 -15.930 1.00 0.00 C ATOM 729 C LEU A 82 -7.423 -6.000 -14.751 1.00 0.00 C ATOM 730 O LEU A 82 -7.650 -7.181 -14.922 1.00 0.00 O ATOM 731 CB LEU A 82 -6.148 -5.402 -16.839 1.00 0.00 C ATOM 732 CG LEU A 82 -6.349 -4.804 -18.238 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.960 -3.402 -18.133 1.00 0.00 C ATOM 734 CD2 LEU A 82 -4.994 -4.706 -18.943 1.00 0.00 C ATOM 0 H LEU A 82 -6.005 -3.521 -15.183 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.274 -5.073 -16.452 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.215 -5.036 -16.410 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.063 -6.486 -16.909 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.023 -5.447 -18.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.097 -2.989 -19.132 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.925 -3.462 -17.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.293 -2.756 -17.562 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.131 -4.282 -19.938 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.328 -4.066 -18.364 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.556 -5.700 -19.030 1.00 0.00 H new ATOM 746 N GLY A 83 -7.269 -5.502 -13.555 1.00 0.00 N ATOM 747 CA GLY A 83 -7.367 -6.380 -12.357 1.00 0.00 C ATOM 748 C GLY A 83 -6.485 -7.614 -12.540 1.00 0.00 C ATOM 749 O GLY A 83 -5.376 -7.533 -13.037 1.00 0.00 O ATOM 0 H GLY A 83 -7.079 -4.520 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.058 -5.831 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.403 -6.683 -12.202 1.00 0.00 H new ATOM 753 N TRP A 84 -6.966 -8.758 -12.132 1.00 0.00 N ATOM 754 CA TRP A 84 -6.159 -10.002 -12.268 1.00 0.00 C ATOM 755 C TRP A 84 -6.432 -10.676 -13.616 1.00 0.00 C ATOM 756 O TRP A 84 -7.525 -11.139 -13.878 1.00 0.00 O ATOM 757 CB TRP A 84 -6.621 -10.896 -11.116 1.00 0.00 C ATOM 758 CG TRP A 84 -5.890 -10.518 -9.867 1.00 0.00 C ATOM 759 CD1 TRP A 84 -6.323 -9.616 -8.955 1.00 0.00 C ATOM 760 CD2 TRP A 84 -4.608 -11.012 -9.379 1.00 0.00 C ATOM 761 NE1 TRP A 84 -5.390 -9.528 -7.938 1.00 0.00 N ATOM 762 CE2 TRP A 84 -4.315 -10.368 -8.154 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.682 -11.948 -9.875 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -3.144 -10.641 -7.446 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -2.502 -12.225 -9.165 1.00 0.00 C ATOM 766 CH2 TRP A 84 -2.235 -11.573 -7.952 1.00 0.00 C ATOM 0 H TRP A 84 -7.886 -8.883 -11.709 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.088 -9.804 -12.231 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.696 -10.790 -10.967 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.435 -11.943 -11.357 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.245 -9.057 -9.012 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -5.484 -8.917 -7.127 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.880 -12.456 -10.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.942 -10.135 -6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.797 -12.944 -9.555 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.327 -11.792 -7.410 1.00 0.00 H new ATOM 777 N MET A 85 -5.445 -10.742 -14.472 1.00 0.00 N ATOM 778 CA MET A 85 -5.652 -11.397 -15.798 1.00 0.00 C ATOM 779 C MET A 85 -4.597 -12.483 -16.021 1.00 0.00 C ATOM 780 O MET A 85 -3.502 -12.415 -15.497 1.00 0.00 O ATOM 781 CB MET A 85 -5.501 -10.278 -16.835 1.00 0.00 C ATOM 782 CG MET A 85 -4.041 -9.823 -16.914 1.00 0.00 C ATOM 783 SD MET A 85 -3.540 -9.703 -18.650 1.00 0.00 S ATOM 784 CE MET A 85 -4.169 -8.034 -18.961 1.00 0.00 C ATOM 0 H MET A 85 -4.508 -10.372 -14.311 1.00 0.00 H new ATOM 0 HA MET A 85 -6.627 -11.880 -15.867 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.833 -10.630 -17.812 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.138 -9.435 -16.567 1.00 0.00 H new ATOM 0 HG2 MET A 85 -3.923 -8.857 -16.423 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.400 -10.529 -16.387 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.899 -8.065 -19.770 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.644 -7.650 -18.058 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.343 -7.380 -19.242 1.00 0.00 H new ATOM 794 N THR A 86 -4.916 -13.485 -16.791 1.00 0.00 N ATOM 795 CA THR A 86 -3.927 -14.571 -17.039 1.00 0.00 C ATOM 796 C THR A 86 -3.252 -14.382 -18.404 1.00 0.00 C ATOM 797 O THR A 86 -2.228 -13.758 -18.515 1.00 0.00 O ATOM 798 CB THR A 86 -4.744 -15.864 -16.996 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.557 -15.959 -18.157 1.00 0.00 O ATOM 800 CG2 THR A 86 -5.630 -15.859 -15.751 1.00 0.00 C ATOM 0 H THR A 86 -5.816 -13.599 -17.258 1.00 0.00 H new ATOM 0 HA THR A 86 -3.124 -14.579 -16.302 1.00 0.00 H new ATOM 0 HB THR A 86 -4.068 -16.718 -16.962 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.077 -16.789 -18.125 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.214 -16.779 -15.716 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.005 -15.792 -14.860 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.303 -15.003 -15.787 1.00 0.00 H new ATOM 808 N ARG A 87 -3.802 -14.930 -19.443 1.00 0.00 N ATOM 809 CA ARG A 87 -3.156 -14.780 -20.781 1.00 0.00 C ATOM 810 C ARG A 87 -4.063 -14.005 -21.742 1.00 0.00 C ATOM 811 O ARG A 87 -5.261 -14.212 -21.785 1.00 0.00 O ATOM 812 CB ARG A 87 -2.965 -16.213 -21.267 1.00 0.00 C ATOM 813 CG ARG A 87 -4.337 -16.853 -21.439 1.00 0.00 C ATOM 814 CD ARG A 87 -4.177 -18.297 -21.918 1.00 0.00 C ATOM 815 NE ARG A 87 -5.559 -18.750 -22.240 1.00 0.00 N ATOM 816 CZ ARG A 87 -5.774 -19.986 -22.610 1.00 0.00 C ATOM 817 NH1 ARG A 87 -4.768 -20.791 -22.823 1.00 0.00 N ATOM 818 NH2 ARG A 87 -6.996 -20.414 -22.770 1.00 0.00 N ATOM 0 H ARG A 87 -4.665 -15.473 -19.431 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.220 -14.224 -20.729 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.421 -16.223 -22.212 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.370 -16.780 -20.551 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.880 -16.831 -20.494 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.926 -16.284 -22.158 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.529 -18.353 -22.793 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.726 -18.921 -21.147 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.338 -18.096 -22.172 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.812 -20.456 -22.701 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.938 -21.754 -23.111 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.782 -19.785 -22.607 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.165 -21.378 -23.059 1.00 0.00 H new ATOM 832 N GLY A 88 -3.499 -13.119 -22.518 1.00 0.00 N ATOM 833 CA GLY A 88 -4.321 -12.332 -23.483 1.00 0.00 C ATOM 834 C GLY A 88 -3.657 -12.366 -24.860 1.00 0.00 C ATOM 835 O GLY A 88 -2.508 -12.727 -24.991 1.00 0.00 O ATOM 0 H GLY A 88 -2.502 -12.906 -22.525 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.328 -12.745 -23.542 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.419 -11.302 -23.139 1.00 0.00 H new ATOM 839 N SER A 89 -4.367 -12.005 -25.894 1.00 0.00 N ATOM 840 CA SER A 89 -3.750 -12.038 -27.251 1.00 0.00 C ATOM 841 C SER A 89 -4.129 -10.794 -28.063 1.00 0.00 C ATOM 842 O SER A 89 -4.272 -10.850 -29.269 1.00 0.00 O ATOM 843 CB SER A 89 -4.306 -13.303 -27.904 1.00 0.00 C ATOM 844 OG SER A 89 -4.257 -14.374 -26.969 1.00 0.00 O ATOM 0 H SER A 89 -5.337 -11.692 -25.860 1.00 0.00 H new ATOM 0 HA SER A 89 -2.661 -12.044 -27.201 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.333 -13.137 -28.231 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.726 -13.553 -28.792 1.00 0.00 H new ATOM 0 HG SER A 89 -4.614 -15.187 -27.384 1.00 0.00 H new ATOM 850 N MET A 90 -4.272 -9.667 -27.419 1.00 0.00 N ATOM 851 CA MET A 90 -4.617 -8.421 -28.164 1.00 0.00 C ATOM 852 C MET A 90 -3.352 -7.581 -28.367 1.00 0.00 C ATOM 853 O MET A 90 -2.665 -7.244 -27.423 1.00 0.00 O ATOM 854 CB MET A 90 -5.619 -7.684 -27.272 1.00 0.00 C ATOM 855 CG MET A 90 -6.850 -8.564 -27.032 1.00 0.00 C ATOM 856 SD MET A 90 -7.443 -9.234 -28.609 1.00 0.00 S ATOM 857 CE MET A 90 -8.633 -7.923 -28.980 1.00 0.00 C ATOM 0 H MET A 90 -4.165 -9.555 -26.411 1.00 0.00 H new ATOM 0 HA MET A 90 -5.035 -8.623 -29.150 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.153 -7.429 -26.320 1.00 0.00 H new ATOM 0 HB3 MET A 90 -5.917 -6.747 -27.742 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.599 -9.378 -26.352 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.638 -7.981 -26.555 1.00 0.00 H new ATOM 0 HE1 MET A 90 -9.125 -8.136 -29.929 1.00 0.00 H new ATOM 0 HE2 MET A 90 -9.379 -7.874 -28.187 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.112 -6.968 -29.048 1.00 0.00 H new ATOM 867 N VAL A 91 -3.031 -7.252 -29.588 1.00 0.00 N ATOM 868 CA VAL A 91 -1.802 -6.448 -29.846 1.00 0.00 C ATOM 869 C VAL A 91 -0.568 -7.202 -29.341 1.00 0.00 C ATOM 870 O VAL A 91 -0.355 -7.347 -28.153 1.00 0.00 O ATOM 871 CB VAL A 91 -1.992 -5.147 -29.065 1.00 0.00 C ATOM 872 CG1 VAL A 91 -0.846 -4.185 -29.390 1.00 0.00 C ATOM 873 CG2 VAL A 91 -3.323 -4.506 -29.462 1.00 0.00 C ATOM 0 H VAL A 91 -3.566 -7.505 -30.419 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.652 -6.258 -30.909 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.995 -5.361 -27.996 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.981 -3.257 -28.834 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.103 -4.642 -29.109 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.843 -3.970 -30.459 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.460 -3.578 -28.906 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.319 -4.292 -30.531 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.139 -5.191 -29.232 1.00 0.00 H new ATOM 883 N GLY A 92 0.245 -7.685 -30.240 1.00 0.00 N ATOM 884 CA GLY A 92 1.464 -8.433 -29.828 1.00 0.00 C ATOM 885 C GLY A 92 2.327 -7.589 -28.878 1.00 0.00 C ATOM 886 O GLY A 92 2.826 -8.099 -27.893 1.00 0.00 O ATOM 0 H GLY A 92 0.116 -7.593 -31.248 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.177 -9.363 -29.337 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.045 -8.705 -30.710 1.00 0.00 H new ATOM 890 N PRO A 93 2.500 -6.330 -29.205 1.00 0.00 N ATOM 891 CA PRO A 93 3.338 -5.444 -28.358 1.00 0.00 C ATOM 892 C PRO A 93 2.636 -5.112 -27.038 1.00 0.00 C ATOM 893 O PRO A 93 3.240 -4.591 -26.122 1.00 0.00 O ATOM 894 CB PRO A 93 3.524 -4.195 -29.212 1.00 0.00 C ATOM 895 CG PRO A 93 2.356 -4.182 -30.144 1.00 0.00 C ATOM 896 CD PRO A 93 1.944 -5.614 -30.365 1.00 0.00 C ATOM 0 HA PRO A 93 4.284 -5.906 -28.076 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.546 -3.296 -28.596 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.465 -4.229 -29.760 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.533 -3.606 -29.721 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.623 -3.709 -31.089 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.860 -5.714 -30.413 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.342 -6.003 -31.302 1.00 0.00 H new ATOM 904 N PHE A 94 1.372 -5.412 -26.927 1.00 0.00 N ATOM 905 CA PHE A 94 0.655 -5.109 -25.655 1.00 0.00 C ATOM 906 C PHE A 94 0.782 -6.287 -24.683 1.00 0.00 C ATOM 907 O PHE A 94 1.209 -6.133 -23.556 1.00 0.00 O ATOM 908 CB PHE A 94 -0.805 -4.903 -26.051 1.00 0.00 C ATOM 909 CG PHE A 94 -1.562 -4.328 -24.876 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.434 -2.971 -24.556 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.387 -5.154 -24.102 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.131 -2.440 -23.465 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.085 -4.622 -23.011 1.00 0.00 C ATOM 914 CZ PHE A 94 -2.956 -3.265 -22.692 1.00 0.00 C ATOM 0 H PHE A 94 0.807 -5.850 -27.655 1.00 0.00 H new ATOM 0 HA PHE A 94 1.066 -4.232 -25.154 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.871 -4.230 -26.906 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.249 -5.851 -26.356 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.797 -2.334 -25.151 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.485 -6.201 -24.347 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.032 -1.393 -23.219 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.723 -5.258 -22.416 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.493 -2.855 -21.850 1.00 0.00 H new ATOM 924 N GLN A 95 0.408 -7.463 -25.113 1.00 0.00 N ATOM 925 CA GLN A 95 0.500 -8.653 -24.218 1.00 0.00 C ATOM 926 C GLN A 95 1.961 -8.958 -23.872 1.00 0.00 C ATOM 927 O GLN A 95 2.293 -9.248 -22.739 1.00 0.00 O ATOM 928 CB GLN A 95 -0.102 -9.802 -25.028 1.00 0.00 C ATOM 929 CG GLN A 95 -0.451 -10.963 -24.094 1.00 0.00 C ATOM 930 CD GLN A 95 0.082 -12.268 -24.683 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.902 -12.252 -25.579 1.00 0.00 O ATOM 932 NE2 GLN A 95 -0.349 -13.407 -24.212 1.00 0.00 N ATOM 0 H GLN A 95 0.042 -7.651 -26.047 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.021 -8.493 -23.274 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.996 -9.462 -25.551 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.605 -10.134 -25.788 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.019 -10.793 -23.108 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.531 -11.026 -23.962 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.038 -13.420 -23.460 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.003 -14.284 -24.596 1.00 0.00 H new ATOM 941 N GLU A 96 2.837 -8.904 -24.840 1.00 0.00 N ATOM 942 CA GLU A 96 4.272 -9.203 -24.560 1.00 0.00 C ATOM 943 C GLU A 96 4.828 -8.239 -23.510 1.00 0.00 C ATOM 944 O GLU A 96 5.539 -8.636 -22.612 1.00 0.00 O ATOM 945 CB GLU A 96 4.985 -9.014 -25.901 1.00 0.00 C ATOM 946 CG GLU A 96 6.430 -9.508 -25.786 1.00 0.00 C ATOM 947 CD GLU A 96 6.439 -10.991 -25.409 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.383 -11.601 -25.456 1.00 0.00 O ATOM 949 OE2 GLU A 96 7.501 -11.491 -25.079 1.00 0.00 O ATOM 0 H GLU A 96 2.622 -8.667 -25.809 1.00 0.00 H new ATOM 0 HA GLU A 96 4.411 -10.208 -24.162 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.463 -9.565 -26.683 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.971 -7.962 -26.187 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.952 -9.360 -26.732 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.964 -8.928 -25.033 1.00 0.00 H new ATOM 956 N ALA A 97 4.511 -6.976 -23.615 1.00 0.00 N ATOM 957 CA ALA A 97 5.027 -5.990 -22.619 1.00 0.00 C ATOM 958 C ALA A 97 4.542 -6.360 -21.212 1.00 0.00 C ATOM 959 O ALA A 97 5.326 -6.577 -20.300 1.00 0.00 O ATOM 960 CB ALA A 97 4.438 -4.648 -23.053 1.00 0.00 C ATOM 0 H ALA A 97 3.918 -6.584 -24.346 1.00 0.00 H new ATOM 0 HA ALA A 97 6.116 -5.966 -22.584 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.770 -3.867 -22.370 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.773 -4.413 -24.063 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.350 -4.706 -23.036 1.00 0.00 H new ATOM 966 N ALA A 98 3.252 -6.433 -21.033 1.00 0.00 N ATOM 967 CA ALA A 98 2.697 -6.789 -19.698 1.00 0.00 C ATOM 968 C ALA A 98 3.515 -7.918 -19.065 1.00 0.00 C ATOM 969 O ALA A 98 4.023 -7.789 -17.968 1.00 0.00 O ATOM 970 CB ALA A 98 1.270 -7.257 -19.979 1.00 0.00 C ATOM 0 H ALA A 98 2.556 -6.260 -21.758 1.00 0.00 H new ATOM 0 HA ALA A 98 2.725 -5.950 -19.003 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.789 -7.539 -19.043 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.708 -6.449 -20.447 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.294 -8.117 -20.648 1.00 0.00 H new ATOM 976 N PHE A 99 3.642 -9.025 -19.744 1.00 0.00 N ATOM 977 CA PHE A 99 4.420 -10.162 -19.176 1.00 0.00 C ATOM 978 C PHE A 99 5.916 -9.972 -19.437 1.00 0.00 C ATOM 979 O PHE A 99 6.724 -10.812 -19.099 1.00 0.00 O ATOM 980 CB PHE A 99 3.889 -11.399 -19.901 1.00 0.00 C ATOM 981 CG PHE A 99 2.560 -11.779 -19.298 1.00 0.00 C ATOM 982 CD1 PHE A 99 2.497 -12.187 -17.961 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.389 -11.709 -20.065 1.00 0.00 C ATOM 984 CE1 PHE A 99 1.268 -12.527 -17.389 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.158 -12.046 -19.491 1.00 0.00 C ATOM 986 CZ PHE A 99 0.100 -12.456 -18.152 1.00 0.00 C ATOM 0 H PHE A 99 3.241 -9.191 -20.667 1.00 0.00 H new ATOM 0 HA PHE A 99 4.306 -10.244 -18.095 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.776 -11.194 -20.966 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.596 -12.224 -19.809 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.400 -12.239 -17.370 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.437 -11.395 -21.097 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.221 -12.844 -16.358 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.746 -11.990 -20.079 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.850 -12.718 -17.709 1.00 0.00 H new ATOM 996 N ALA A 100 6.293 -8.867 -20.019 1.00 0.00 N ATOM 997 CA ALA A 100 7.739 -8.624 -20.280 1.00 0.00 C ATOM 998 C ALA A 100 8.402 -8.121 -19.001 1.00 0.00 C ATOM 999 O ALA A 100 9.571 -8.349 -18.763 1.00 0.00 O ATOM 1000 CB ALA A 100 7.781 -7.553 -21.367 1.00 0.00 C ATOM 0 H ALA A 100 5.664 -8.124 -20.324 1.00 0.00 H new ATOM 0 HA ALA A 100 8.267 -9.525 -20.593 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.818 -7.323 -21.611 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.271 -7.919 -22.258 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.284 -6.652 -21.009 1.00 0.00 H new ATOM 1006 N LEU A 101 7.658 -7.440 -18.172 1.00 0.00 N ATOM 1007 CA LEU A 101 8.238 -6.926 -16.894 1.00 0.00 C ATOM 1008 C LEU A 101 7.690 -7.726 -15.705 1.00 0.00 C ATOM 1009 O LEU A 101 6.633 -7.421 -15.187 1.00 0.00 O ATOM 1010 CB LEU A 101 7.792 -5.466 -16.812 1.00 0.00 C ATOM 1011 CG LEU A 101 8.740 -4.601 -17.642 1.00 0.00 C ATOM 1012 CD1 LEU A 101 8.198 -4.477 -19.068 1.00 0.00 C ATOM 1013 CD2 LEU A 101 8.847 -3.209 -17.013 1.00 0.00 C ATOM 0 H LEU A 101 6.674 -7.217 -18.323 1.00 0.00 H new ATOM 0 HA LEU A 101 9.324 -7.020 -16.866 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.771 -5.364 -17.181 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.791 -5.132 -15.774 1.00 0.00 H new ATOM 0 HG LEU A 101 9.727 -5.064 -17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.873 -3.860 -19.661 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.123 -5.468 -19.516 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.211 -4.015 -19.043 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.523 -2.593 -17.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.861 -2.744 -16.988 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.233 -3.297 -15.997 1.00 0.00 H new ATOM 1138 N VAL A 110 7.462 0.420 -12.995 1.00 0.00 N ATOM 1139 CA VAL A 110 6.361 -0.560 -12.848 1.00 0.00 C ATOM 1140 C VAL A 110 5.429 -0.444 -14.053 1.00 0.00 C ATOM 1141 O VAL A 110 4.587 -1.289 -14.280 1.00 0.00 O ATOM 1142 CB VAL A 110 5.646 -0.170 -11.554 1.00 0.00 C ATOM 1143 CG1 VAL A 110 5.142 1.270 -11.661 1.00 0.00 C ATOM 1144 CG2 VAL A 110 4.461 -1.111 -11.325 1.00 0.00 C ATOM 0 HA VAL A 110 6.709 -1.592 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 110 6.340 -0.248 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.633 1.547 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.986 1.940 -11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.447 1.351 -12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.950 -0.835 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 110 3.767 -1.033 -12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 110 4.821 -2.137 -11.247 1.00 0.00 H new ATOM 1154 N PHE A 111 5.583 0.593 -14.843 1.00 0.00 N ATOM 1155 CA PHE A 111 4.709 0.736 -16.041 1.00 0.00 C ATOM 1156 C PHE A 111 5.534 0.726 -17.329 1.00 0.00 C ATOM 1157 O PHE A 111 6.749 0.708 -17.308 1.00 0.00 O ATOM 1158 CB PHE A 111 3.934 2.047 -15.878 1.00 0.00 C ATOM 1159 CG PHE A 111 4.817 3.145 -15.341 1.00 0.00 C ATOM 1160 CD1 PHE A 111 5.965 3.531 -16.040 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.464 3.800 -14.155 1.00 0.00 C ATOM 1162 CE1 PHE A 111 6.763 4.572 -15.548 1.00 0.00 C ATOM 1163 CE2 PHE A 111 5.257 4.843 -13.668 1.00 0.00 C ATOM 1164 CZ PHE A 111 6.406 5.229 -14.364 1.00 0.00 C ATOM 0 H PHE A 111 6.269 1.336 -14.709 1.00 0.00 H new ATOM 0 HA PHE A 111 4.018 -0.104 -16.117 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.520 2.349 -16.840 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.092 1.892 -15.203 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.236 3.028 -16.957 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.578 3.499 -13.616 1.00 0.00 H new ATOM 0 HE1 PHE A 111 7.654 4.868 -16.082 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.982 5.350 -12.755 1.00 0.00 H new ATOM 0 HZ PHE A 111 7.019 6.035 -13.988 1.00 0.00 H new ATOM 1174 N THR A 112 4.866 0.690 -18.447 1.00 0.00 N ATOM 1175 CA THR A 112 5.572 0.625 -19.758 1.00 0.00 C ATOM 1176 C THR A 112 6.154 1.974 -20.186 1.00 0.00 C ATOM 1177 O THR A 112 6.844 2.051 -21.177 1.00 0.00 O ATOM 1178 CB THR A 112 4.488 0.195 -20.741 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.637 -0.748 -20.111 1.00 0.00 O ATOM 1180 CG2 THR A 112 5.132 -0.432 -21.978 1.00 0.00 C ATOM 0 H THR A 112 3.848 0.703 -18.510 1.00 0.00 H new ATOM 0 HA THR A 112 6.422 -0.055 -19.711 1.00 0.00 H new ATOM 0 HB THR A 112 3.906 1.064 -21.048 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.886 -1.653 -20.393 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.354 -0.738 -22.678 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.785 0.297 -22.457 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.717 -1.303 -21.682 1.00 0.00 H new ATOM 1188 N ASP A 113 5.917 3.032 -19.466 1.00 0.00 N ATOM 1189 CA ASP A 113 6.507 4.338 -19.892 1.00 0.00 C ATOM 1190 C ASP A 113 8.001 4.138 -20.199 1.00 0.00 C ATOM 1191 O ASP A 113 8.736 3.672 -19.352 1.00 0.00 O ATOM 1192 CB ASP A 113 6.304 5.289 -18.714 1.00 0.00 C ATOM 1193 CG ASP A 113 4.811 5.390 -18.390 1.00 0.00 C ATOM 1194 OD1 ASP A 113 4.039 5.609 -19.309 1.00 0.00 O ATOM 1195 OD2 ASP A 113 4.466 5.247 -17.229 1.00 0.00 O ATOM 0 H ASP A 113 5.352 3.056 -18.617 1.00 0.00 H new ATOM 0 HA ASP A 113 6.041 4.738 -20.792 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.852 4.929 -17.844 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.702 6.275 -18.956 1.00 0.00 H new ATOM 1200 N PRO A 114 8.410 4.466 -21.413 1.00 0.00 N ATOM 1201 CA PRO A 114 7.495 5.040 -22.451 1.00 0.00 C ATOM 1202 C PRO A 114 6.438 4.020 -22.889 1.00 0.00 C ATOM 1203 O PRO A 114 6.757 2.905 -23.247 1.00 0.00 O ATOM 1204 CB PRO A 114 8.435 5.370 -23.610 1.00 0.00 C ATOM 1205 CG PRO A 114 9.598 4.455 -23.418 1.00 0.00 C ATOM 1206 CD PRO A 114 9.774 4.311 -21.932 1.00 0.00 C ATOM 0 HA PRO A 114 6.939 5.904 -22.087 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.952 5.202 -24.573 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.744 6.415 -23.586 1.00 0.00 H new ATOM 0 HG2 PRO A 114 9.414 3.487 -23.884 1.00 0.00 H new ATOM 0 HG3 PRO A 114 10.497 4.865 -23.879 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.196 3.341 -21.669 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.445 5.070 -21.531 1.00 0.00 H new ATOM 1214 N PRO A 115 5.203 4.448 -22.837 1.00 0.00 N ATOM 1215 CA PRO A 115 4.062 3.569 -23.208 1.00 0.00 C ATOM 1216 C PRO A 115 4.119 3.164 -24.680 1.00 0.00 C ATOM 1217 O PRO A 115 5.020 3.530 -25.409 1.00 0.00 O ATOM 1218 CB PRO A 115 2.838 4.441 -22.929 1.00 0.00 C ATOM 1219 CG PRO A 115 3.352 5.839 -23.003 1.00 0.00 C ATOM 1220 CD PRO A 115 4.749 5.788 -22.453 1.00 0.00 C ATOM 0 HA PRO A 115 4.058 2.631 -22.652 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.051 4.268 -23.663 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.412 4.226 -21.949 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.349 6.204 -24.030 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.727 6.517 -22.422 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.380 6.567 -22.881 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.763 5.925 -21.372 1.00 0.00 H new ATOM 1228 N VAL A 116 3.155 2.402 -25.116 1.00 0.00 N ATOM 1229 CA VAL A 116 3.130 1.958 -26.536 1.00 0.00 C ATOM 1230 C VAL A 116 2.112 2.787 -27.322 1.00 0.00 C ATOM 1231 O VAL A 116 1.079 3.170 -26.809 1.00 0.00 O ATOM 1232 CB VAL A 116 2.713 0.489 -26.475 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.727 -0.290 -25.636 1.00 0.00 C ATOM 1234 CG2 VAL A 116 1.329 0.374 -25.828 1.00 0.00 C ATOM 0 H VAL A 116 2.379 2.066 -24.545 1.00 0.00 H new ATOM 0 HA VAL A 116 4.090 2.084 -27.037 1.00 0.00 H new ATOM 0 HB VAL A 116 2.678 0.080 -27.485 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.433 -1.338 -25.590 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.714 -0.210 -26.091 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.758 0.122 -24.627 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.033 -0.674 -25.785 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.364 0.782 -24.818 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.603 0.932 -26.420 1.00 0.00 H new ATOM 1244 N LYS A 117 2.393 3.073 -28.563 1.00 0.00 N ATOM 1245 CA LYS A 117 1.438 3.883 -29.369 1.00 0.00 C ATOM 1246 C LYS A 117 0.785 3.016 -30.447 1.00 0.00 C ATOM 1247 O LYS A 117 1.449 2.311 -31.181 1.00 0.00 O ATOM 1248 CB LYS A 117 2.283 4.993 -29.998 1.00 0.00 C ATOM 1249 CG LYS A 117 3.240 4.395 -31.032 1.00 0.00 C ATOM 1250 CD LYS A 117 4.087 5.515 -31.643 1.00 0.00 C ATOM 1251 CE LYS A 117 5.399 4.937 -32.176 1.00 0.00 C ATOM 1252 NZ LYS A 117 6.001 6.033 -32.989 1.00 0.00 N ATOM 0 H LYS A 117 3.239 2.782 -29.052 1.00 0.00 H new ATOM 0 HA LYS A 117 0.629 4.290 -28.763 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.636 5.731 -30.472 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.848 5.514 -29.225 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.884 3.652 -30.562 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.677 3.882 -31.812 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.538 6.000 -32.450 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.293 6.279 -30.893 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.060 4.641 -31.361 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.222 4.048 -32.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.906 5.712 -33.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.353 6.289 -33.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.165 6.864 -32.385 1.00 0.00 H new ATOM 1266 N THR A 118 -0.514 3.060 -30.540 1.00 0.00 N ATOM 1267 CA THR A 118 -1.220 2.236 -31.559 1.00 0.00 C ATOM 1268 C THR A 118 -2.327 3.059 -32.225 1.00 0.00 C ATOM 1269 O THR A 118 -2.608 4.174 -31.830 1.00 0.00 O ATOM 1270 CB THR A 118 -1.811 1.074 -30.765 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.659 1.592 -29.753 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.683 0.262 -30.120 1.00 0.00 C ATOM 0 H THR A 118 -1.119 3.633 -29.952 1.00 0.00 H new ATOM 0 HA THR A 118 -0.561 1.894 -32.357 1.00 0.00 H new ATOM 0 HB THR A 118 -2.381 0.427 -31.431 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.447 1.017 -29.661 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.109 -0.567 -29.554 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.026 -0.129 -30.897 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.111 0.903 -29.450 1.00 0.00 H new ATOM 1280 N LYS A 119 -2.951 2.524 -33.240 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.029 3.281 -33.941 1.00 0.00 C ATOM 1282 C LYS A 119 -5.252 3.471 -33.036 1.00 0.00 C ATOM 1283 O LYS A 119 -6.072 4.337 -33.273 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.390 2.424 -35.152 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.231 2.433 -36.148 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.474 3.509 -37.208 1.00 0.00 C ATOM 1287 CE LYS A 119 -4.080 2.866 -38.457 1.00 0.00 C ATOM 1288 NZ LYS A 119 -2.959 2.111 -39.086 1.00 0.00 N ATOM 0 H LYS A 119 -2.761 1.595 -33.615 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.699 4.281 -34.223 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.605 1.403 -34.837 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.293 2.808 -35.626 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.293 2.626 -35.628 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.138 1.456 -36.622 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.145 4.274 -36.818 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.537 4.005 -37.460 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.906 2.203 -38.198 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.477 3.621 -39.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.824 2.440 -40.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.086 2.269 -38.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.184 1.096 -39.091 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.390 2.683 -32.001 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.576 2.864 -31.109 1.00 0.00 C ATOM 1304 C PHE A 120 -6.227 3.786 -29.940 1.00 0.00 C ATOM 1305 O PHE A 120 -6.910 3.814 -28.935 1.00 0.00 O ATOM 1306 CB PHE A 120 -6.990 1.471 -30.598 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.789 0.585 -30.353 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.267 -0.212 -31.382 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.215 0.546 -29.084 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.168 -1.044 -31.131 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.115 -0.282 -28.831 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.591 -1.078 -29.855 1.00 0.00 C ATOM 0 H PHE A 120 -4.747 1.936 -31.737 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.399 3.326 -31.655 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.559 1.577 -29.674 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.649 0.998 -31.326 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.711 -0.185 -32.366 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.621 1.158 -28.292 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.765 -1.660 -31.922 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.672 -0.306 -27.847 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.743 -1.718 -29.662 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.181 4.558 -30.069 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.810 5.493 -28.967 1.00 0.00 C ATOM 1324 C GLY A 121 -3.460 5.101 -28.363 1.00 0.00 C ATOM 1325 O GLY A 121 -2.781 4.212 -28.841 1.00 0.00 O ATOM 0 H GLY A 121 -4.570 4.582 -30.885 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.762 6.513 -29.348 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.579 5.477 -28.195 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.074 5.768 -27.309 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.774 5.461 -26.643 1.00 0.00 C ATOM 1331 C TYR A 122 -2.037 4.674 -25.348 1.00 0.00 C ATOM 1332 O TYR A 122 -3.096 4.785 -24.763 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.175 6.840 -26.343 1.00 0.00 C ATOM 1334 CG TYR A 122 -0.968 7.598 -27.641 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.533 6.919 -28.787 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.191 8.985 -27.695 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -0.318 7.618 -29.980 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -0.980 9.681 -28.895 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.541 8.998 -30.035 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.318 9.686 -31.211 1.00 0.00 O ATOM 0 H TYR A 122 -3.609 6.521 -26.876 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.105 4.851 -27.251 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -1.839 7.401 -25.685 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.225 6.729 -25.819 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.363 5.853 -28.749 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.524 9.514 -26.814 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.021 7.091 -30.860 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.157 10.746 -28.939 1.00 0.00 H new ATOM 0 HH TYR A 122 0.209 9.129 -31.821 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.104 3.866 -24.898 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.365 3.080 -23.648 1.00 0.00 C ATOM 1352 C HIS A 123 -0.138 2.969 -22.748 1.00 0.00 C ATOM 1353 O HIS A 123 0.940 2.611 -23.179 1.00 0.00 O ATOM 1354 CB HIS A 123 -1.740 1.674 -24.115 1.00 0.00 C ATOM 1355 CG HIS A 123 -2.686 1.754 -25.271 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.042 1.544 -25.117 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.490 2.010 -26.605 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.610 1.674 -26.324 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -3.708 1.960 -27.271 1.00 0.00 N ATOM 0 H HIS A 123 -0.192 3.718 -25.331 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.141 3.576 -23.066 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -0.843 1.127 -24.406 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.199 1.120 -23.296 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.536 2.218 -27.066 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.668 1.562 -26.510 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.878 2.109 -28.266 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.324 3.205 -21.481 1.00 0.00 N ATOM 1368 CA ILE A 124 0.801 3.041 -20.515 1.00 0.00 C ATOM 1369 C ILE A 124 0.314 2.078 -19.419 1.00 0.00 C ATOM 1370 O ILE A 124 -0.527 2.417 -18.608 1.00 0.00 O ATOM 1371 CB ILE A 124 1.156 4.457 -19.978 1.00 0.00 C ATOM 1372 CG1 ILE A 124 0.648 4.656 -18.546 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.549 5.545 -20.872 1.00 0.00 C ATOM 1374 CD1 ILE A 124 1.192 5.972 -17.993 1.00 0.00 C ATOM 0 H ILE A 124 -1.208 3.505 -21.070 1.00 0.00 H new ATOM 0 HA ILE A 124 1.704 2.618 -20.955 1.00 0.00 H new ATOM 0 HB ILE A 124 2.243 4.538 -19.985 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -0.442 4.666 -18.533 1.00 0.00 H new ATOM 0 HG13 ILE A 124 0.966 3.825 -17.917 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.810 6.527 -20.478 1.00 0.00 H new ATOM 0 HG22 ILE A 124 0.941 5.445 -21.884 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.536 5.438 -20.890 1.00 0.00 H new ATOM 0 HD11 ILE A 124 0.832 6.115 -16.974 1.00 0.00 H new ATOM 0 HD12 ILE A 124 2.282 5.943 -17.992 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.851 6.798 -18.618 1.00 0.00 H new ATOM 1386 N ILE A 125 0.786 0.858 -19.426 1.00 0.00 N ATOM 1387 CA ILE A 125 0.294 -0.130 -18.420 1.00 0.00 C ATOM 1388 C ILE A 125 1.325 -0.384 -17.320 1.00 0.00 C ATOM 1389 O ILE A 125 2.509 -0.184 -17.500 1.00 0.00 O ATOM 1390 CB ILE A 125 0.041 -1.412 -19.221 1.00 0.00 C ATOM 1391 CG1 ILE A 125 1.361 -1.969 -19.738 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.854 -1.111 -20.420 1.00 0.00 C ATOM 1393 CD1 ILE A 125 1.124 -3.374 -20.283 1.00 0.00 C ATOM 0 H ILE A 125 1.485 0.505 -20.079 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.599 0.233 -17.912 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.443 -2.137 -18.567 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.762 -1.324 -20.520 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.099 -1.995 -18.936 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.028 -2.028 -20.983 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.807 -0.712 -20.072 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.367 -0.378 -21.063 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.063 -3.783 -20.656 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.741 -4.013 -19.487 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.399 -3.332 -21.095 1.00 0.00 H new ATOM 1405 N MET A 126 0.867 -0.837 -16.180 1.00 0.00 N ATOM 1406 CA MET A 126 1.795 -1.124 -15.049 1.00 0.00 C ATOM 1407 C MET A 126 1.472 -2.485 -14.442 1.00 0.00 C ATOM 1408 O MET A 126 0.397 -3.020 -14.630 1.00 0.00 O ATOM 1409 CB MET A 126 1.547 -0.007 -14.035 1.00 0.00 C ATOM 1410 CG MET A 126 0.160 -0.180 -13.416 1.00 0.00 C ATOM 1411 SD MET A 126 -0.062 1.029 -12.089 1.00 0.00 S ATOM 1412 CE MET A 126 0.481 -0.032 -10.728 1.00 0.00 C ATOM 0 H MET A 126 -0.117 -1.021 -15.985 1.00 0.00 H new ATOM 0 HA MET A 126 2.837 -1.156 -15.366 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.310 -0.032 -13.257 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.621 0.965 -14.523 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.609 -0.046 -14.177 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.048 -1.191 -13.024 1.00 0.00 H new ATOM 0 HE1 MET A 126 0.881 0.585 -9.923 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.366 -0.609 -10.356 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.255 -0.712 -11.083 1.00 0.00 H new ATOM 1422 N VAL A 127 2.394 -3.059 -13.718 1.00 0.00 N ATOM 1423 CA VAL A 127 2.117 -4.394 -13.115 1.00 0.00 C ATOM 1424 C VAL A 127 2.539 -4.428 -11.648 1.00 0.00 C ATOM 1425 O VAL A 127 3.627 -4.026 -11.290 1.00 0.00 O ATOM 1426 CB VAL A 127 2.942 -5.385 -13.935 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.525 -6.812 -13.571 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.688 -5.148 -15.425 1.00 0.00 C ATOM 0 H VAL A 127 3.315 -2.668 -13.520 1.00 0.00 H new ATOM 0 HA VAL A 127 1.054 -4.632 -13.136 1.00 0.00 H new ATOM 0 HB VAL A 127 4.001 -5.245 -13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.111 -7.522 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.700 -6.982 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.466 -6.949 -13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.276 -5.854 -16.011 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.629 -5.290 -15.641 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.978 -4.130 -15.686 1.00 0.00 H new ATOM 1438 N GLU A 128 1.676 -4.908 -10.796 1.00 0.00 N ATOM 1439 CA GLU A 128 2.012 -4.977 -9.349 1.00 0.00 C ATOM 1440 C GLU A 128 2.225 -6.432 -8.924 1.00 0.00 C ATOM 1441 O GLU A 128 2.587 -6.713 -7.800 1.00 0.00 O ATOM 1442 CB GLU A 128 0.799 -4.377 -8.637 1.00 0.00 C ATOM 1443 CG GLU A 128 0.669 -2.898 -9.007 1.00 0.00 C ATOM 1444 CD GLU A 128 -0.544 -2.298 -8.295 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.653 -2.573 -8.722 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -0.343 -1.574 -7.334 1.00 0.00 O ATOM 0 H GLU A 128 0.749 -5.256 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 128 2.931 -4.442 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.105 -4.915 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.908 -4.485 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.573 -2.360 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.560 -2.790 -10.086 1.00 0.00 H new ATOM 1453 N GLY A 129 2.002 -7.364 -9.815 1.00 0.00 N ATOM 1454 CA GLY A 129 2.196 -8.797 -9.447 1.00 0.00 C ATOM 1455 C GLY A 129 2.067 -9.684 -10.690 1.00 0.00 C ATOM 1456 O GLY A 129 1.087 -9.628 -11.405 1.00 0.00 O ATOM 0 H GLY A 129 1.696 -7.196 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.178 -8.934 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.457 -9.092 -8.702 1.00 0.00 H new ATOM 1460 N ARG A 130 3.046 -10.511 -10.944 1.00 0.00 N ATOM 1461 CA ARG A 130 2.977 -11.413 -12.132 1.00 0.00 C ATOM 1462 C ARG A 130 3.219 -12.861 -11.700 1.00 0.00 C ATOM 1463 O ARG A 130 3.887 -13.122 -10.719 1.00 0.00 O ATOM 1464 CB ARG A 130 4.091 -10.937 -13.068 1.00 0.00 C ATOM 1465 CG ARG A 130 4.082 -11.788 -14.342 1.00 0.00 C ATOM 1466 CD ARG A 130 5.483 -12.353 -14.594 1.00 0.00 C ATOM 1467 NE ARG A 130 5.452 -12.843 -16.000 1.00 0.00 N ATOM 1468 CZ ARG A 130 5.071 -14.065 -16.256 1.00 0.00 C ATOM 1469 NH1 ARG A 130 3.811 -14.386 -16.162 1.00 0.00 N ATOM 1470 NH2 ARG A 130 5.950 -14.966 -16.603 1.00 0.00 N ATOM 0 H ARG A 130 3.891 -10.601 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 130 2.003 -11.380 -12.620 1.00 0.00 H new ATOM 0 HB2 ARG A 130 3.947 -9.886 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.058 -11.017 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.364 -12.602 -14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.764 -11.184 -15.192 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.248 -11.588 -14.459 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.714 -13.161 -13.899 1.00 0.00 H new ATOM 0 HE ARG A 130 5.728 -12.224 -16.762 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.125 -13.683 -15.889 1.00 0.00 H new ATOM 0 HH12 ARG A 130 3.512 -15.340 -16.362 1.00 0.00 H new ATOM 0 HH21 ARG A 130 6.936 -14.715 -16.674 1.00 0.00 H new ATOM 0 HH22 ARG A 130 5.650 -15.920 -16.803 1.00 0.00 H new ATOM 1484 N LYS A 131 2.684 -13.810 -12.422 1.00 0.00 N ATOM 1485 CA LYS A 131 2.891 -15.238 -12.043 1.00 0.00 C ATOM 1486 C LYS A 131 4.384 -15.525 -11.862 1.00 0.00 C ATOM 1487 O LYS A 131 4.756 -15.965 -10.787 1.00 0.00 O ATOM 1488 CB LYS A 131 2.326 -16.051 -13.209 1.00 0.00 C ATOM 1489 CG LYS A 131 2.410 -17.543 -12.881 1.00 0.00 C ATOM 1490 CD LYS A 131 1.893 -18.359 -14.067 1.00 0.00 C ATOM 1491 CE LYS A 131 2.503 -19.762 -14.024 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.848 -19.616 -14.646 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.128 -15.300 -12.802 1.00 0.00 O ATOM 0 H LYS A 131 2.115 -13.659 -13.255 1.00 0.00 H new ATOM 0 HA LYS A 131 2.402 -15.488 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.290 -15.767 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.885 -15.836 -14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.441 -17.819 -12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.821 -17.764 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.805 -18.422 -14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.154 -17.866 -15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.579 -20.128 -13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.889 -20.476 -14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.905 -20.216 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.001 -18.623 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.579 -19.908 -13.966 1.00 0.00 H new