USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 735 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 76 THR OG1 : rot -153:sc= 0.046 USER MOD Set 1.2: A 117 TYR OH : rot 131:sc= 0.0669 USER MOD Set 2.1: A 58 SER OG : rot 170:sc= -1.19 USER MOD Set 2.2: A 120 ASN : amide:sc= -1.49 X(o=-2.7,f=-3) USER MOD Single : A 25 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.5!) USER MOD Single : A 27 THR OG1 : rot 31:sc= 0.326 USER MOD Single : A 35 HIS : no HD1:sc= -0.788 X(o=-0.79,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.688 K(o=-0.69,f=-8.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -58:sc= 0.00441 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.53) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4!) USER MOD Single : A 66 MET CE :methyl 157:sc= -4.1 (180deg=-7!) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.137 (180deg=-0.529) USER MOD Single : A 71 SER OG : rot -34:sc= 0.341 USER MOD Single : A 79 TYR OH : rot -38:sc= 0.63 USER MOD Single : A 85 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.014) USER MOD Single : A 94 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 100 ASN :FLIP amide:sc= -2.5 F(o=-3.1,f=-2.5) USER MOD Single : A 101 ASN :FLIP amide:sc= -2.54 F(o=-4.3!,f=-2.5) USER MOD Single : A 102 THR OG1 : rot -2:sc= 1.03 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.26) USER MOD Single : A 114 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.0672 USER MOD Single : A 122 SER OG : rot -26:sc= 0.481 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -52:sc= -0.0134 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 25:sc= 0.457 USER MOD Single : A 146 THR OG1 : rot -72:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 7.603 -9.838 3.705 1.00 0.00 N ATOM 17 CA ILE A 22 6.569 -9.118 2.973 1.00 0.00 C ATOM 18 C ILE A 22 7.115 -7.822 2.383 1.00 0.00 C ATOM 19 O ILE A 22 7.562 -6.935 3.112 1.00 0.00 O ATOM 20 CB ILE A 22 5.366 -8.790 3.876 1.00 0.00 C ATOM 21 CG1 ILE A 22 4.741 -10.079 4.416 1.00 0.00 C ATOM 22 CG2 ILE A 22 4.334 -7.976 3.110 1.00 0.00 C ATOM 23 CD1 ILE A 22 4.145 -10.959 3.341 1.00 0.00 C ATOM 0 HA ILE A 22 6.240 -9.772 2.166 1.00 0.00 H new ATOM 0 HB ILE A 22 5.715 -8.195 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.502 -10.643 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.964 -9.822 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.490 -7.752 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.786 -7.045 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.986 -8.547 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.721 -11.854 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.361 -10.412 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.923 -11.246 2.633 1.00 0.00 H new ATOM 34 N ASP A 23 7.074 -7.717 1.060 1.00 0.00 N ATOM 35 CA ASP A 23 7.562 -6.527 0.371 1.00 0.00 C ATOM 36 C ASP A 23 6.405 -5.612 -0.016 1.00 0.00 C ATOM 37 O ASP A 23 5.312 -6.077 -0.342 1.00 0.00 O ATOM 38 CB ASP A 23 8.356 -6.923 -0.876 1.00 0.00 C ATOM 39 CG ASP A 23 9.432 -5.914 -1.220 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.082 -4.793 -1.646 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.627 -6.244 -1.064 1.00 0.00 O ATOM 0 H ASP A 23 6.708 -8.441 0.442 1.00 0.00 H new ATOM 0 HA ASP A 23 8.218 -5.985 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.815 -7.899 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.674 -7.025 -1.720 1.00 0.00 H new ATOM 45 N LEU A 24 6.652 -4.307 0.020 1.00 0.00 N ATOM 46 CA LEU A 24 5.632 -3.325 -0.326 1.00 0.00 C ATOM 47 C LEU A 24 5.900 -2.722 -1.700 1.00 0.00 C ATOM 48 O LEU A 24 6.962 -2.930 -2.284 1.00 0.00 O ATOM 49 CB LEU A 24 5.582 -2.218 0.728 1.00 0.00 C ATOM 50 CG LEU A 24 4.493 -2.352 1.794 1.00 0.00 C ATOM 51 CD1 LEU A 24 3.114 -2.273 1.159 1.00 0.00 C ATOM 52 CD2 LEU A 24 4.656 -3.657 2.559 1.00 0.00 C ATOM 0 H LEU A 24 7.551 -3.905 0.286 1.00 0.00 H new ATOM 0 HA LEU A 24 4.669 -3.834 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.549 -2.177 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.447 -1.264 0.218 1.00 0.00 H new ATOM 0 HG LEU A 24 4.594 -1.526 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.351 -2.370 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.000 -1.313 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.001 -3.079 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.873 -3.737 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.580 -4.496 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.632 -3.674 3.045 1.00 0.00 H new ATOM 63 N ASN A 25 4.930 -1.970 -2.211 1.00 0.00 N ATOM 64 CA ASN A 25 5.062 -1.334 -3.517 1.00 0.00 C ATOM 65 C ASN A 25 4.302 -0.013 -3.559 1.00 0.00 C ATOM 66 O ASN A 25 3.126 0.049 -3.201 1.00 0.00 O ATOM 67 CB ASN A 25 4.548 -2.266 -4.616 1.00 0.00 C ATOM 68 CG ASN A 25 4.189 -1.521 -5.887 1.00 0.00 C ATOM 69 OD1 ASN A 25 3.114 -1.718 -6.455 1.00 0.00 O ATOM 70 ND2 ASN A 25 5.090 -0.657 -6.340 1.00 0.00 N ATOM 0 H ASN A 25 4.044 -1.786 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 25 6.119 -1.130 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.309 -3.014 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.671 -2.802 -4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.904 -0.125 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.968 -0.525 -5.838 1.00 0.00 H new ATOM 76 N ILE A 26 4.981 1.041 -3.999 1.00 0.00 N ATOM 77 CA ILE A 26 4.368 2.360 -4.090 1.00 0.00 C ATOM 78 C ILE A 26 4.741 3.051 -5.397 1.00 0.00 C ATOM 79 O ILE A 26 5.919 3.203 -5.721 1.00 0.00 O ATOM 80 CB ILE A 26 4.790 3.257 -2.912 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.634 2.505 -1.588 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.966 4.537 -2.899 1.00 0.00 C ATOM 83 CD1 ILE A 26 4.988 3.336 -0.375 1.00 0.00 C ATOM 0 H ILE A 26 5.956 1.007 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 26 3.289 2.210 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 26 5.840 3.524 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.604 2.161 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.266 1.617 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.276 5.161 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.121 5.079 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.910 4.289 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.854 2.739 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.027 3.659 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.339 4.210 -0.331 1.00 0.00 H new ATOM 94 N THR A 27 3.728 3.470 -6.149 1.00 0.00 N ATOM 95 CA THR A 27 3.947 4.145 -7.421 1.00 0.00 C ATOM 96 C THR A 27 3.965 5.659 -7.244 1.00 0.00 C ATOM 97 O THR A 27 3.962 6.164 -6.121 1.00 0.00 O ATOM 98 CB THR A 27 2.862 3.773 -8.449 1.00 0.00 C ATOM 99 OG1 THR A 27 3.273 4.171 -9.762 1.00 0.00 O ATOM 100 CG2 THR A 27 1.538 4.439 -8.103 1.00 0.00 C ATOM 0 H THR A 27 2.746 3.353 -5.898 1.00 0.00 H new ATOM 0 HA THR A 27 4.917 3.813 -7.791 1.00 0.00 H new ATOM 0 HB THR A 27 2.725 2.692 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.250 4.123 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.787 4.162 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.213 4.111 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.664 5.522 -8.103 1.00 0.00 H new ATOM 108 N CYS A 28 3.984 6.381 -8.361 1.00 0.00 N ATOM 109 CA CYS A 28 4.003 7.838 -8.329 1.00 0.00 C ATOM 110 C CYS A 28 2.882 8.378 -7.444 1.00 0.00 C ATOM 111 O CYS A 28 1.993 7.635 -7.029 1.00 0.00 O ATOM 112 CB CYS A 28 3.865 8.401 -9.745 1.00 0.00 C ATOM 113 SG CYS A 28 5.089 7.750 -10.927 1.00 0.00 S ATOM 0 H CYS A 28 3.987 5.980 -9.299 1.00 0.00 H new ATOM 0 HA CYS A 28 4.958 8.155 -7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.864 8.180 -10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.957 9.486 -9.704 1.00 0.00 H new ATOM 117 N ARG A 29 2.934 9.675 -7.160 1.00 0.00 N ATOM 118 CA ARG A 29 1.924 10.315 -6.325 1.00 0.00 C ATOM 119 C ARG A 29 1.131 11.346 -7.121 1.00 0.00 C ATOM 120 O ARG A 29 1.687 12.328 -7.611 1.00 0.00 O ATOM 121 CB ARG A 29 2.582 10.984 -5.115 1.00 0.00 C ATOM 122 CG ARG A 29 2.688 10.078 -3.900 1.00 0.00 C ATOM 123 CD ARG A 29 3.625 10.658 -2.853 1.00 0.00 C ATOM 124 NE ARG A 29 4.123 9.636 -1.936 1.00 0.00 N ATOM 125 CZ ARG A 29 5.102 9.846 -1.062 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.681 11.035 -0.985 1.00 0.00 N ATOM 127 NH2 ARG A 29 5.499 8.865 -0.262 1.00 0.00 N ATOM 0 H ARG A 29 3.664 10.303 -7.495 1.00 0.00 H new ATOM 0 HA ARG A 29 1.236 9.545 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.580 11.320 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.010 11.872 -4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.699 9.934 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.047 9.096 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.467 11.141 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.103 11.429 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 29 3.696 8.710 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.376 11.792 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.432 11.194 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.053 7.949 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.250 9.026 0.409 1.00 0.00 H new ATOM 138 N PHE A 30 -0.171 11.114 -7.247 1.00 0.00 N ATOM 139 CA PHE A 30 -1.041 12.022 -7.986 1.00 0.00 C ATOM 140 C PHE A 30 -1.767 12.972 -7.039 1.00 0.00 C ATOM 141 O PHE A 30 -2.662 12.564 -6.299 1.00 0.00 O ATOM 142 CB PHE A 30 -2.058 11.229 -8.810 1.00 0.00 C ATOM 143 CG PHE A 30 -1.436 10.415 -9.910 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.224 10.968 -11.162 1.00 0.00 C ATOM 145 CD2 PHE A 30 -1.065 9.099 -9.689 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.651 10.222 -12.177 1.00 0.00 C ATOM 147 CE2 PHE A 30 -0.492 8.348 -10.699 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.285 8.911 -11.944 1.00 0.00 C ATOM 0 H PHE A 30 -0.647 10.305 -6.847 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.420 12.613 -8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.612 10.565 -8.147 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.780 11.921 -9.245 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.509 11.993 -11.348 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.225 8.655 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.490 10.664 -13.149 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.207 7.323 -10.515 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.163 8.326 -12.734 1.00 0.00 H new ATOM 157 N ALA A 31 -1.374 14.241 -7.067 1.00 0.00 N ATOM 158 CA ALA A 31 -1.987 15.249 -6.212 1.00 0.00 C ATOM 159 C ALA A 31 -1.907 14.847 -4.744 1.00 0.00 C ATOM 160 O ALA A 31 -2.767 15.209 -3.943 1.00 0.00 O ATOM 161 CB ALA A 31 -3.435 15.478 -6.621 1.00 0.00 C ATOM 0 H ALA A 31 -0.634 14.595 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.434 16.180 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.881 16.233 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.471 15.819 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.992 14.546 -6.527 1.00 0.00 H new ATOM 167 N GLY A 32 -0.866 14.096 -4.396 1.00 0.00 N ATOM 168 CA GLY A 32 -0.693 13.655 -3.024 1.00 0.00 C ATOM 169 C GLY A 32 -1.368 12.325 -2.753 1.00 0.00 C ATOM 170 O GLY A 32 -1.106 11.684 -1.734 1.00 0.00 O ATOM 0 H GLY A 32 -0.139 13.785 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.371 13.570 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.099 14.409 -2.349 1.00 0.00 H new ATOM 174 N VAL A 33 -2.241 11.909 -3.665 1.00 0.00 N ATOM 175 CA VAL A 33 -2.956 10.646 -3.518 1.00 0.00 C ATOM 176 C VAL A 33 -2.233 9.518 -4.243 1.00 0.00 C ATOM 177 O VAL A 33 -1.786 9.680 -5.378 1.00 0.00 O ATOM 178 CB VAL A 33 -4.395 10.750 -4.060 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.160 9.463 -3.792 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.111 11.943 -3.445 1.00 0.00 C ATOM 0 H VAL A 33 -2.470 12.427 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.992 10.424 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.349 10.900 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.174 9.555 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.656 8.631 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.199 9.280 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.126 12.001 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.148 11.826 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.573 12.858 -3.693 1.00 0.00 H new ATOM 190 N PHE A 34 -2.120 8.372 -3.578 1.00 0.00 N ATOM 191 CA PHE A 34 -1.449 7.214 -4.159 1.00 0.00 C ATOM 192 C PHE A 34 -2.052 5.916 -3.632 1.00 0.00 C ATOM 193 O PHE A 34 -2.802 5.917 -2.655 1.00 0.00 O ATOM 194 CB PHE A 34 0.049 7.258 -3.848 1.00 0.00 C ATOM 195 CG PHE A 34 0.364 7.069 -2.392 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.082 8.067 -1.473 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.943 5.893 -1.942 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.373 7.896 -0.133 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.236 5.716 -0.602 1.00 0.00 C ATOM 200 CZ PHE A 34 0.950 6.718 0.303 1.00 0.00 C ATOM 0 H PHE A 34 -2.484 8.221 -2.637 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.590 7.247 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.555 6.483 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.453 8.215 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.370 8.989 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.168 5.106 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.150 8.682 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.688 4.795 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.177 6.582 1.350 1.00 0.00 H new ATOM 209 N HIS A 35 -1.720 4.807 -4.286 1.00 0.00 N ATOM 210 CA HIS A 35 -2.228 3.500 -3.884 1.00 0.00 C ATOM 211 C HIS A 35 -1.109 2.637 -3.308 1.00 0.00 C ATOM 212 O HIS A 35 0.001 2.609 -3.838 1.00 0.00 O ATOM 213 CB HIS A 35 -2.874 2.793 -5.076 1.00 0.00 C ATOM 214 CG HIS A 35 -1.888 2.113 -5.974 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.151 2.782 -6.928 1.00 0.00 N ATOM 216 CD2 HIS A 35 -1.517 0.813 -6.060 1.00 0.00 C ATOM 217 CE1 HIS A 35 -0.372 1.925 -7.562 1.00 0.00 C ATOM 218 NE2 HIS A 35 -0.575 0.723 -7.054 1.00 0.00 N ATOM 0 H HIS A 35 -1.101 4.788 -5.097 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.981 3.651 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.587 2.055 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.440 3.521 -5.657 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.893 -0.001 -5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.314 2.166 -8.360 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.108 -0.133 -7.352 1.00 0.00 H new ATOM 225 N VAL A 36 -1.412 1.932 -2.223 1.00 0.00 N ATOM 226 CA VAL A 36 -0.433 1.067 -1.576 1.00 0.00 C ATOM 227 C VAL A 36 -0.603 -0.383 -2.018 1.00 0.00 C ATOM 228 O VAL A 36 -1.677 -0.965 -1.868 1.00 0.00 O ATOM 229 CB VAL A 36 -0.546 1.140 -0.042 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.504 0.256 0.614 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.414 2.579 0.433 1.00 0.00 C ATOM 0 H VAL A 36 -2.328 1.943 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 36 0.552 1.423 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.530 0.773 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.408 0.321 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.359 -0.777 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.498 0.590 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.496 2.613 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.555 2.975 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.207 3.182 -0.010 1.00 0.00 H new ATOM 241 N GLU A 37 0.463 -0.958 -2.564 1.00 0.00 N ATOM 242 CA GLU A 37 0.430 -2.340 -3.029 1.00 0.00 C ATOM 243 C GLU A 37 1.454 -3.190 -2.280 1.00 0.00 C ATOM 244 O GLU A 37 2.346 -2.665 -1.614 1.00 0.00 O ATOM 245 CB GLU A 37 0.701 -2.403 -4.534 1.00 0.00 C ATOM 246 CG GLU A 37 0.195 -3.675 -5.191 1.00 0.00 C ATOM 247 CD GLU A 37 -1.261 -3.957 -4.872 1.00 0.00 C ATOM 248 OE1 GLU A 37 -2.082 -3.023 -4.977 1.00 0.00 O ATOM 249 OE2 GLU A 37 -1.576 -5.112 -4.516 1.00 0.00 O ATOM 0 H GLU A 37 1.359 -0.489 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.564 -2.740 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.232 -1.545 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.774 -2.318 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.318 -3.595 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.805 -4.517 -4.862 1.00 0.00 H new ATOM 254 N LYS A 38 1.317 -4.507 -2.395 1.00 0.00 N ATOM 255 CA LYS A 38 2.229 -5.431 -1.731 1.00 0.00 C ATOM 256 C LYS A 38 2.857 -6.391 -2.738 1.00 0.00 C ATOM 257 O LYS A 38 2.543 -6.354 -3.925 1.00 0.00 O ATOM 258 CB LYS A 38 1.489 -6.222 -0.650 1.00 0.00 C ATOM 259 CG LYS A 38 2.340 -6.524 0.571 1.00 0.00 C ATOM 260 CD LYS A 38 1.513 -6.506 1.846 1.00 0.00 C ATOM 261 CE LYS A 38 0.516 -7.655 1.881 1.00 0.00 C ATOM 262 NZ LYS A 38 1.146 -8.920 2.347 1.00 0.00 N ATOM 0 H LYS A 38 0.583 -4.958 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 38 3.023 -4.848 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.608 -5.660 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.134 -7.160 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.810 -7.500 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.143 -5.790 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.174 -6.570 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.980 -5.558 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.313 -7.397 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.097 -7.803 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.435 -9.679 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.920 -9.180 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.524 -8.787 3.307 1.00 0.00 H new ATOM 272 N ASN A 39 3.744 -7.253 -2.251 1.00 0.00 N ATOM 273 CA ASN A 39 4.416 -8.224 -3.107 1.00 0.00 C ATOM 274 C ASN A 39 3.405 -9.007 -3.938 1.00 0.00 C ATOM 275 O ASN A 39 3.653 -9.325 -5.099 1.00 0.00 O ATOM 276 CB ASN A 39 5.254 -9.186 -2.263 1.00 0.00 C ATOM 277 CG ASN A 39 4.555 -9.587 -0.978 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.847 -9.055 0.093 1.00 0.00 O ATOM 279 ND2 ASN A 39 3.626 -10.531 -1.079 1.00 0.00 N ATOM 0 H ASN A 39 4.014 -7.299 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 39 5.074 -7.680 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.475 -10.079 -2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.209 -8.718 -2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.123 -10.842 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.416 -10.945 -1.987 1.00 0.00 H new ATOM 285 N GLY A 40 2.261 -9.316 -3.333 1.00 0.00 N ATOM 286 CA GLY A 40 1.228 -10.059 -4.030 1.00 0.00 C ATOM 287 C GLY A 40 0.080 -9.176 -4.476 1.00 0.00 C ATOM 288 O GLY A 40 0.033 -7.991 -4.144 1.00 0.00 O ATOM 0 H GLY A 40 2.032 -9.064 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.663 -10.551 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.846 -10.844 -3.377 1.00 0.00 H new ATOM 292 N ARG A 41 -0.849 -9.754 -5.231 1.00 0.00 N ATOM 293 CA ARG A 41 -2.001 -9.010 -5.726 1.00 0.00 C ATOM 294 C ARG A 41 -2.810 -8.427 -4.570 1.00 0.00 C ATOM 295 O ARG A 41 -2.425 -8.549 -3.406 1.00 0.00 O ATOM 296 CB ARG A 41 -2.892 -9.916 -6.579 1.00 0.00 C ATOM 297 CG ARG A 41 -2.264 -10.311 -7.906 1.00 0.00 C ATOM 298 CD ARG A 41 -1.444 -11.585 -7.776 1.00 0.00 C ATOM 299 NE ARG A 41 -1.304 -12.277 -9.055 1.00 0.00 N ATOM 300 CZ ARG A 41 -0.767 -13.486 -9.181 1.00 0.00 C ATOM 301 NH1 ARG A 41 -0.322 -14.132 -8.112 1.00 0.00 N ATOM 302 NH2 ARG A 41 -0.674 -14.051 -10.377 1.00 0.00 N ATOM 0 H ARG A 41 -0.826 -10.734 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.634 -8.188 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.125 -10.818 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.836 -9.407 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.046 -10.455 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.627 -9.502 -8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.456 -11.342 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.918 -12.250 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.636 -11.807 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.391 -13.701 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.090 -15.060 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.015 -13.558 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.262 -14.979 -10.472 1.00 0.00 H new ATOM 313 N TYR A 42 -3.932 -7.797 -4.898 1.00 0.00 N ATOM 314 CA TYR A 42 -4.793 -7.194 -3.887 1.00 0.00 C ATOM 315 C TYR A 42 -5.145 -8.203 -2.798 1.00 0.00 C ATOM 316 O TYR A 42 -5.598 -9.311 -3.085 1.00 0.00 O ATOM 317 CB TYR A 42 -6.072 -6.656 -4.532 1.00 0.00 C ATOM 318 CG TYR A 42 -5.819 -5.787 -5.744 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.702 -4.964 -5.813 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.700 -5.788 -6.818 1.00 0.00 C ATOM 321 CE1 TYR A 42 -4.468 -4.168 -6.916 1.00 0.00 C ATOM 322 CE2 TYR A 42 -6.473 -4.997 -7.928 1.00 0.00 C ATOM 323 CZ TYR A 42 -5.355 -4.188 -7.972 1.00 0.00 C ATOM 324 OH TYR A 42 -5.127 -3.397 -9.073 1.00 0.00 O ATOM 0 H TYR A 42 -4.267 -7.690 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.249 -6.368 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.703 -7.496 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.628 -6.080 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.004 -4.947 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.577 -6.417 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.595 -3.533 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.166 -5.011 -8.756 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.845 -3.530 -9.726 1.00 0.00 H new ATOM 333 N SER A 43 -4.933 -7.810 -1.546 1.00 0.00 N ATOM 334 CA SER A 43 -5.224 -8.681 -0.412 1.00 0.00 C ATOM 335 C SER A 43 -5.005 -7.946 0.906 1.00 0.00 C ATOM 336 O SER A 43 -4.342 -8.456 1.810 1.00 0.00 O ATOM 337 CB SER A 43 -4.347 -9.932 -0.465 1.00 0.00 C ATOM 338 OG SER A 43 -4.893 -10.971 0.329 1.00 0.00 O ATOM 0 H SER A 43 -4.561 -6.895 -1.291 1.00 0.00 H new ATOM 0 HA SER A 43 -6.271 -8.979 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.252 -10.270 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.343 -9.691 -0.115 1.00 0.00 H new ATOM 0 HG SER A 43 -4.991 -10.660 1.253 1.00 0.00 H new ATOM 343 N ILE A 44 -5.564 -6.745 1.008 1.00 0.00 N ATOM 344 CA ILE A 44 -5.431 -5.941 2.217 1.00 0.00 C ATOM 345 C ILE A 44 -6.783 -5.731 2.889 1.00 0.00 C ATOM 346 O ILE A 44 -7.759 -5.356 2.239 1.00 0.00 O ATOM 347 CB ILE A 44 -4.802 -4.568 1.911 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.508 -4.740 1.116 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.540 -3.808 3.203 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.915 -3.434 0.636 1.00 0.00 C ATOM 0 H ILE A 44 -6.113 -6.307 0.268 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.775 -6.490 2.892 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.502 -3.990 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.776 -5.256 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.702 -5.379 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.096 -2.840 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.480 -3.658 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.856 -4.381 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.999 -3.633 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.630 -2.926 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.688 -2.800 1.493 1.00 0.00 H new ATOM 361 N SER A 45 -6.831 -5.973 4.195 1.00 0.00 N ATOM 362 CA SER A 45 -8.065 -5.811 4.957 1.00 0.00 C ATOM 363 C SER A 45 -8.245 -4.362 5.399 1.00 0.00 C ATOM 364 O SER A 45 -7.273 -3.625 5.557 1.00 0.00 O ATOM 365 CB SER A 45 -8.056 -6.733 6.179 1.00 0.00 C ATOM 366 OG SER A 45 -9.375 -7.100 6.548 1.00 0.00 O ATOM 0 H SER A 45 -6.031 -6.282 4.748 1.00 0.00 H new ATOM 0 HA SER A 45 -8.901 -6.081 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.474 -7.628 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.567 -6.231 7.014 1.00 0.00 H new ATOM 0 HG SER A 45 -9.344 -7.690 7.330 1.00 0.00 H new ATOM 371 N ARG A 46 -9.497 -3.963 5.595 1.00 0.00 N ATOM 372 CA ARG A 46 -9.807 -2.602 6.016 1.00 0.00 C ATOM 373 C ARG A 46 -9.014 -2.225 7.264 1.00 0.00 C ATOM 374 O ARG A 46 -8.419 -1.149 7.334 1.00 0.00 O ATOM 375 CB ARG A 46 -11.305 -2.458 6.290 1.00 0.00 C ATOM 376 CG ARG A 46 -12.170 -2.635 5.053 1.00 0.00 C ATOM 377 CD ARG A 46 -13.651 -2.577 5.395 1.00 0.00 C ATOM 378 NE ARG A 46 -14.111 -1.207 5.605 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.390 -0.873 5.728 1.00 0.00 C ATOM 380 NH1 ARG A 46 -16.332 -1.804 5.664 1.00 0.00 N ATOM 381 NH2 ARG A 46 -15.731 0.396 5.917 1.00 0.00 N ATOM 0 H ARG A 46 -10.313 -4.562 5.469 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.525 -1.926 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.601 -3.193 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.495 -1.474 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.932 -1.857 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.942 -3.591 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.227 -3.033 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.839 -3.164 6.294 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.412 -0.467 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.075 -2.781 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.314 -1.544 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.010 1.116 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.714 0.651 6.011 1.00 0.00 H new ATOM 392 N THR A 47 -9.008 -3.119 8.249 1.00 0.00 N ATOM 393 CA THR A 47 -8.289 -2.880 9.494 1.00 0.00 C ATOM 394 C THR A 47 -6.792 -2.736 9.245 1.00 0.00 C ATOM 395 O THR A 47 -6.081 -2.113 10.033 1.00 0.00 O ATOM 396 CB THR A 47 -8.523 -4.018 10.504 1.00 0.00 C ATOM 397 OG1 THR A 47 -9.856 -4.526 10.371 1.00 0.00 O ATOM 398 CG2 THR A 47 -8.301 -3.531 11.929 1.00 0.00 C ATOM 0 H THR A 47 -9.493 -4.015 8.208 1.00 0.00 H new ATOM 0 HA THR A 47 -8.676 -1.950 9.910 1.00 0.00 H new ATOM 0 HB THR A 47 -7.809 -4.814 10.293 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.996 -5.251 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.472 -4.352 12.625 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.277 -3.172 12.036 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.995 -2.719 12.148 1.00 0.00 H new ATOM 406 N GLU A 48 -6.321 -3.315 8.146 1.00 0.00 N ATOM 407 CA GLU A 48 -4.908 -3.252 7.795 1.00 0.00 C ATOM 408 C GLU A 48 -4.598 -1.978 7.014 1.00 0.00 C ATOM 409 O GLU A 48 -3.482 -1.460 7.067 1.00 0.00 O ATOM 410 CB GLU A 48 -4.506 -4.477 6.972 1.00 0.00 C ATOM 411 CG GLU A 48 -3.022 -4.541 6.656 1.00 0.00 C ATOM 412 CD GLU A 48 -2.648 -5.771 5.853 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.560 -6.543 5.492 1.00 0.00 O ATOM 414 OE2 GLU A 48 -1.442 -5.962 5.587 1.00 0.00 O ATOM 0 H GLU A 48 -6.898 -3.833 7.483 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.332 -3.241 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.792 -5.378 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.068 -4.476 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.734 -3.648 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.456 -4.534 7.587 1.00 0.00 H new ATOM 419 N ALA A 49 -5.594 -1.478 6.289 1.00 0.00 N ATOM 420 CA ALA A 49 -5.428 -0.264 5.499 1.00 0.00 C ATOM 421 C ALA A 49 -4.850 0.866 6.343 1.00 0.00 C ATOM 422 O ALA A 49 -3.830 1.455 5.988 1.00 0.00 O ATOM 423 CB ALA A 49 -6.761 0.155 4.894 1.00 0.00 C ATOM 0 H ALA A 49 -6.523 -1.895 6.233 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.725 -0.476 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.625 1.063 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.135 -0.641 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.479 0.344 5.692 1.00 0.00 H new ATOM 429 N ALA A 50 -5.507 1.163 7.458 1.00 0.00 N ATOM 430 CA ALA A 50 -5.055 2.222 8.352 1.00 0.00 C ATOM 431 C ALA A 50 -3.583 2.049 8.708 1.00 0.00 C ATOM 432 O ALA A 50 -2.778 2.961 8.515 1.00 0.00 O ATOM 433 CB ALA A 50 -5.906 2.246 9.614 1.00 0.00 C ATOM 0 H ALA A 50 -6.355 0.685 7.765 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.167 3.174 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.558 3.041 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.947 2.426 9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.823 1.288 10.127 1.00 0.00 H new ATOM 439 N ASP A 51 -3.238 0.876 9.228 1.00 0.00 N ATOM 440 CA ASP A 51 -1.862 0.585 9.611 1.00 0.00 C ATOM 441 C ASP A 51 -0.903 0.886 8.462 1.00 0.00 C ATOM 442 O ASP A 51 0.115 1.553 8.648 1.00 0.00 O ATOM 443 CB ASP A 51 -1.727 -0.878 10.034 1.00 0.00 C ATOM 444 CG ASP A 51 -0.399 -1.167 10.707 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.116 -0.273 11.410 1.00 0.00 O ATOM 446 OD2 ASP A 51 0.127 -2.285 10.528 1.00 0.00 O ATOM 0 H ASP A 51 -3.893 0.112 9.394 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.602 1.225 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.539 -1.132 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.834 -1.518 9.158 1.00 0.00 H new ATOM 450 N LEU A 52 -1.235 0.389 7.276 1.00 0.00 N ATOM 451 CA LEU A 52 -0.403 0.603 6.097 1.00 0.00 C ATOM 452 C LEU A 52 -0.132 2.088 5.885 1.00 0.00 C ATOM 453 O LEU A 52 1.021 2.520 5.838 1.00 0.00 O ATOM 454 CB LEU A 52 -1.079 0.013 4.858 1.00 0.00 C ATOM 455 CG LEU A 52 -0.225 -0.931 4.012 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.302 -2.078 4.861 1.00 0.00 C ATOM 457 CD2 LEU A 52 -1.026 -1.464 2.833 1.00 0.00 C ATOM 0 H LEU A 52 -2.074 -0.165 7.105 1.00 0.00 H new ATOM 0 HA LEU A 52 0.550 0.099 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.971 -0.525 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.412 0.835 4.225 1.00 0.00 H new ATOM 0 HG LEU A 52 0.626 -0.371 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.908 -2.740 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.912 -1.680 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.536 -2.637 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.402 -2.134 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.896 -2.008 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.355 -0.632 2.211 1.00 0.00 H new ATOM 468 N CYS A 53 -1.200 2.867 5.758 1.00 0.00 N ATOM 469 CA CYS A 53 -1.079 4.305 5.554 1.00 0.00 C ATOM 470 C CYS A 53 -0.200 4.936 6.629 1.00 0.00 C ATOM 471 O CYS A 53 0.594 5.834 6.350 1.00 0.00 O ATOM 472 CB CYS A 53 -2.462 4.961 5.560 1.00 0.00 C ATOM 473 SG CYS A 53 -3.563 4.389 4.226 1.00 0.00 S ATOM 0 H CYS A 53 -2.161 2.526 5.793 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.610 4.470 4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.940 4.766 6.520 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.340 6.041 5.478 1.00 0.00 H new ATOM 477 N LYS A 54 -0.347 4.460 7.860 1.00 0.00 N ATOM 478 CA LYS A 54 0.433 4.974 8.980 1.00 0.00 C ATOM 479 C LYS A 54 1.887 4.521 8.883 1.00 0.00 C ATOM 480 O LYS A 54 2.787 5.179 9.403 1.00 0.00 O ATOM 481 CB LYS A 54 -0.171 4.508 10.306 1.00 0.00 C ATOM 482 CG LYS A 54 0.517 5.094 11.526 1.00 0.00 C ATOM 483 CD LYS A 54 -0.137 4.624 12.815 1.00 0.00 C ATOM 484 CE LYS A 54 0.637 3.478 13.448 1.00 0.00 C ATOM 485 NZ LYS A 54 -0.245 2.598 14.265 1.00 0.00 N ATOM 0 H LYS A 54 -1.001 3.717 8.108 1.00 0.00 H new ATOM 0 HA LYS A 54 0.407 6.063 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.227 4.778 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.119 3.420 10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.568 4.807 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.484 6.182 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.197 5.455 13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.159 4.305 12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.116 2.888 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.432 3.880 14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.320 1.829 14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.683 3.155 15.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.989 2.194 13.660 1.00 0.00 H new ATOM 495 N ALA A 55 2.107 3.395 8.213 1.00 0.00 N ATOM 496 CA ALA A 55 3.451 2.858 8.044 1.00 0.00 C ATOM 497 C ALA A 55 4.313 3.789 7.199 1.00 0.00 C ATOM 498 O ALA A 55 5.537 3.655 7.161 1.00 0.00 O ATOM 499 CB ALA A 55 3.391 1.474 7.413 1.00 0.00 C ATOM 0 H ALA A 55 1.372 2.837 7.779 1.00 0.00 H new ATOM 0 HA ALA A 55 3.909 2.777 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.402 1.085 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.819 0.805 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.909 1.539 6.438 1.00 0.00 H new ATOM 505 N PHE A 56 3.670 4.733 6.522 1.00 0.00 N ATOM 506 CA PHE A 56 4.377 5.687 5.676 1.00 0.00 C ATOM 507 C PHE A 56 4.078 7.121 6.103 1.00 0.00 C ATOM 508 O PHE A 56 4.189 8.052 5.308 1.00 0.00 O ATOM 509 CB PHE A 56 3.989 5.487 4.210 1.00 0.00 C ATOM 510 CG PHE A 56 4.240 4.094 3.707 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.483 3.736 3.211 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.232 3.142 3.732 1.00 0.00 C ATOM 513 CE1 PHE A 56 5.716 2.454 2.746 1.00 0.00 C ATOM 514 CE2 PHE A 56 3.460 1.860 3.270 1.00 0.00 C ATOM 515 CZ PHE A 56 4.703 1.515 2.778 1.00 0.00 C ATOM 0 H PHE A 56 2.658 4.858 6.543 1.00 0.00 H new ATOM 0 HA PHE A 56 5.447 5.510 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.932 5.724 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.548 6.193 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.279 4.466 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.258 3.406 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.688 2.188 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.666 1.128 3.294 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.883 0.513 2.419 1.00 0.00 H new ATOM 524 N ASN A 57 3.696 7.287 7.366 1.00 0.00 N ATOM 525 CA ASN A 57 3.379 8.608 7.900 1.00 0.00 C ATOM 526 C ASN A 57 2.275 9.274 7.082 1.00 0.00 C ATOM 527 O ASN A 57 2.108 10.492 7.123 1.00 0.00 O ATOM 528 CB ASN A 57 4.627 9.492 7.907 1.00 0.00 C ATOM 529 CG ASN A 57 4.403 10.802 8.636 1.00 0.00 C ATOM 530 OD1 ASN A 57 4.561 11.880 8.062 1.00 0.00 O ATOM 531 ND2 ASN A 57 4.034 10.715 9.908 1.00 0.00 N ATOM 0 H ASN A 57 3.599 6.525 8.037 1.00 0.00 H new ATOM 0 HA ASN A 57 3.025 8.483 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.448 8.953 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.929 9.698 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.869 11.563 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.915 9.800 10.343 1.00 0.00 H new ATOM 537 N SER A 58 1.525 8.464 6.341 1.00 0.00 N ATOM 538 CA SER A 58 0.439 8.975 5.513 1.00 0.00 C ATOM 539 C SER A 58 -0.917 8.641 6.128 1.00 0.00 C ATOM 540 O SER A 58 -1.010 7.840 7.058 1.00 0.00 O ATOM 541 CB SER A 58 0.530 8.393 4.101 1.00 0.00 C ATOM 542 OG SER A 58 1.870 8.374 3.642 1.00 0.00 O ATOM 0 H SER A 58 1.649 7.453 6.297 1.00 0.00 H new ATOM 0 HA SER A 58 0.535 10.059 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.126 7.381 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.082 8.985 3.420 1.00 0.00 H new ATOM 0 HG SER A 58 1.924 7.856 2.812 1.00 0.00 H new ATOM 547 N THR A 59 -1.969 9.261 5.599 1.00 0.00 N ATOM 548 CA THR A 59 -3.319 9.031 6.094 1.00 0.00 C ATOM 549 C THR A 59 -4.262 8.639 4.963 1.00 0.00 C ATOM 550 O THR A 59 -4.080 9.057 3.818 1.00 0.00 O ATOM 551 CB THR A 59 -3.878 10.282 6.802 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.392 11.465 6.159 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.480 10.295 8.271 1.00 0.00 C ATOM 0 H THR A 59 -1.910 9.926 4.828 1.00 0.00 H new ATOM 0 HA THR A 59 -3.257 8.212 6.811 1.00 0.00 H new ATOM 0 HB THR A 59 -4.966 10.255 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.752 12.255 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.885 11.186 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.876 9.407 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.393 10.301 8.353 1.00 0.00 H new ATOM 561 N LEU A 60 -5.267 7.834 5.288 1.00 0.00 N ATOM 562 CA LEU A 60 -6.239 7.385 4.298 1.00 0.00 C ATOM 563 C LEU A 60 -6.803 8.566 3.515 1.00 0.00 C ATOM 564 O LEU A 60 -6.854 9.697 4.000 1.00 0.00 O ATOM 565 CB LEU A 60 -7.374 6.620 4.979 1.00 0.00 C ATOM 566 CG LEU A 60 -6.969 5.364 5.752 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.767 5.252 7.043 1.00 0.00 C ATOM 568 CD2 LEU A 60 -7.162 4.123 4.893 1.00 0.00 C ATOM 0 H LEU A 60 -5.430 7.479 6.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.730 6.720 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.881 7.298 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.101 6.335 4.218 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.912 5.442 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.466 4.353 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.577 6.127 7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.830 5.196 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.869 3.239 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.210 4.039 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.546 4.201 3.997 1.00 0.00 H new ATOM 579 N PRO A 61 -7.240 8.299 2.275 1.00 0.00 N ATOM 580 CA PRO A 61 -7.813 9.327 1.400 1.00 0.00 C ATOM 581 C PRO A 61 -9.177 9.807 1.883 1.00 0.00 C ATOM 582 O PRO A 61 -9.666 9.372 2.927 1.00 0.00 O ATOM 583 CB PRO A 61 -7.943 8.611 0.052 1.00 0.00 C ATOM 584 CG PRO A 61 -8.048 7.167 0.399 1.00 0.00 C ATOM 585 CD PRO A 61 -7.210 6.976 1.632 1.00 0.00 C ATOM 0 HA PRO A 61 -7.194 10.224 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.823 8.952 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.079 8.804 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.084 6.884 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.688 6.542 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.622 6.204 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.193 6.673 1.383 1.00 0.00 H new ATOM 590 N THR A 62 -9.788 10.706 1.118 1.00 0.00 N ATOM 591 CA THR A 62 -11.095 11.244 1.468 1.00 0.00 C ATOM 592 C THR A 62 -12.065 11.141 0.296 1.00 0.00 C ATOM 593 O THR A 62 -11.699 10.684 -0.786 1.00 0.00 O ATOM 594 CB THR A 62 -10.997 12.717 1.909 1.00 0.00 C ATOM 595 OG1 THR A 62 -9.759 13.280 1.460 1.00 0.00 O ATOM 596 CG2 THR A 62 -11.094 12.837 3.422 1.00 0.00 C ATOM 0 H THR A 62 -9.398 11.077 0.252 1.00 0.00 H new ATOM 0 HA THR A 62 -11.469 10.647 2.300 1.00 0.00 H new ATOM 0 HB THR A 62 -11.828 13.263 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.704 14.217 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.022 13.886 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.049 12.433 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.280 12.278 3.884 1.00 0.00 H new ATOM 604 N MET A 63 -13.303 11.571 0.518 1.00 0.00 N ATOM 605 CA MET A 63 -14.325 11.527 -0.521 1.00 0.00 C ATOM 606 C MET A 63 -13.937 12.412 -1.701 1.00 0.00 C ATOM 607 O MET A 63 -13.618 11.918 -2.782 1.00 0.00 O ATOM 608 CB MET A 63 -15.677 11.971 0.044 1.00 0.00 C ATOM 609 CG MET A 63 -16.765 12.091 -1.011 1.00 0.00 C ATOM 610 SD MET A 63 -17.130 10.519 -1.814 1.00 0.00 S ATOM 611 CE MET A 63 -18.823 10.254 -1.286 1.00 0.00 C ATOM 0 H MET A 63 -13.622 11.954 1.408 1.00 0.00 H new ATOM 0 HA MET A 63 -14.408 10.499 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.996 11.258 0.804 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.556 12.934 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 63 -17.673 12.478 -0.548 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.457 12.816 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.192 9.317 -1.703 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.862 10.207 -0.198 1.00 0.00 H new ATOM 0 HE3 MET A 63 -19.446 11.077 -1.636 1.00 0.00 H new ATOM 619 N ALA A 64 -13.969 13.723 -1.487 1.00 0.00 N ATOM 620 CA ALA A 64 -13.618 14.677 -2.532 1.00 0.00 C ATOM 621 C ALA A 64 -12.258 14.352 -3.138 1.00 0.00 C ATOM 622 O ALA A 64 -12.073 14.441 -4.352 1.00 0.00 O ATOM 623 CB ALA A 64 -13.627 16.094 -1.978 1.00 0.00 C ATOM 0 H ALA A 64 -14.235 14.149 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.365 14.603 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.363 16.796 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.622 16.331 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.903 16.172 -1.167 1.00 0.00 H new ATOM 629 N GLN A 65 -11.309 13.978 -2.286 1.00 0.00 N ATOM 630 CA GLN A 65 -9.965 13.641 -2.740 1.00 0.00 C ATOM 631 C GLN A 65 -10.012 12.624 -3.875 1.00 0.00 C ATOM 632 O GLN A 65 -9.376 12.807 -4.913 1.00 0.00 O ATOM 633 CB GLN A 65 -9.135 13.090 -1.580 1.00 0.00 C ATOM 634 CG GLN A 65 -8.294 14.143 -0.879 1.00 0.00 C ATOM 635 CD GLN A 65 -7.378 14.887 -1.832 1.00 0.00 C ATOM 636 OE1 GLN A 65 -7.767 15.891 -2.429 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.153 14.397 -1.982 1.00 0.00 N ATOM 0 H GLN A 65 -11.446 13.901 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.496 14.552 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.803 12.628 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.479 12.304 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.952 14.856 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.695 13.667 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.871 13.562 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.494 14.855 -2.611 1.00 0.00 H new ATOM 644 N MET A 66 -10.770 11.550 -3.670 1.00 0.00 N ATOM 645 CA MET A 66 -10.900 10.504 -4.678 1.00 0.00 C ATOM 646 C MET A 66 -11.407 11.080 -5.996 1.00 0.00 C ATOM 647 O MET A 66 -10.734 10.992 -7.021 1.00 0.00 O ATOM 648 CB MET A 66 -11.848 9.409 -4.187 1.00 0.00 C ATOM 649 CG MET A 66 -11.248 8.526 -3.104 1.00 0.00 C ATOM 650 SD MET A 66 -9.880 7.519 -3.708 1.00 0.00 S ATOM 651 CE MET A 66 -10.750 6.367 -4.769 1.00 0.00 C ATOM 0 H MET A 66 -11.302 11.382 -2.816 1.00 0.00 H new ATOM 0 HA MET A 66 -9.914 10.071 -4.847 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.758 9.872 -3.804 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.139 8.786 -5.033 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.899 9.152 -2.283 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.023 7.875 -2.701 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.060 5.962 -5.510 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.155 5.553 -4.168 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.565 6.884 -5.276 1.00 0.00 H new ATOM 659 N GLU A 67 -12.599 11.667 -5.960 1.00 0.00 N ATOM 660 CA GLU A 67 -13.197 12.254 -7.154 1.00 0.00 C ATOM 661 C GLU A 67 -12.219 13.203 -7.841 1.00 0.00 C ATOM 662 O GLU A 67 -12.240 13.354 -9.063 1.00 0.00 O ATOM 663 CB GLU A 67 -14.481 13.004 -6.791 1.00 0.00 C ATOM 664 CG GLU A 67 -15.446 12.187 -5.950 1.00 0.00 C ATOM 665 CD GLU A 67 -16.873 12.691 -6.043 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.364 12.882 -7.174 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.500 12.894 -4.981 1.00 0.00 O ATOM 0 H GLU A 67 -13.169 11.749 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.439 11.446 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.220 13.913 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.983 13.313 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.411 11.146 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.124 12.210 -4.909 1.00 0.00 H new ATOM 672 N LYS A 68 -11.364 13.838 -7.047 1.00 0.00 N ATOM 673 CA LYS A 68 -10.375 14.771 -7.578 1.00 0.00 C ATOM 674 C LYS A 68 -9.262 14.027 -8.310 1.00 0.00 C ATOM 675 O LYS A 68 -9.060 14.215 -9.508 1.00 0.00 O ATOM 676 CB LYS A 68 -9.783 15.614 -6.448 1.00 0.00 C ATOM 677 CG LYS A 68 -8.999 16.821 -6.936 1.00 0.00 C ATOM 678 CD LYS A 68 -9.923 17.954 -7.354 1.00 0.00 C ATOM 679 CE LYS A 68 -10.514 18.665 -6.146 1.00 0.00 C ATOM 680 NZ LYS A 68 -9.461 19.305 -5.309 1.00 0.00 N ATOM 0 H LYS A 68 -11.335 13.724 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.876 15.428 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.590 15.954 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.129 14.987 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.332 17.167 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.372 16.532 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.371 18.669 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.727 17.559 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.222 19.423 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.074 17.951 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.888 20.052 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.026 18.590 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.733 19.720 -5.925 1.00 0.00 H new ATOM 690 N ALA A 69 -8.543 13.182 -7.578 1.00 0.00 N ATOM 691 CA ALA A 69 -7.452 12.406 -8.159 1.00 0.00 C ATOM 692 C ALA A 69 -7.944 11.555 -9.324 1.00 0.00 C ATOM 693 O ALA A 69 -7.165 11.178 -10.201 1.00 0.00 O ATOM 694 CB ALA A 69 -6.806 11.529 -7.097 1.00 0.00 C ATOM 0 H ALA A 69 -8.695 13.017 -6.583 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.706 13.102 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.994 10.955 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.411 12.156 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.550 10.846 -6.687 1.00 0.00 H new ATOM 700 N LEU A 70 -9.237 11.257 -9.329 1.00 0.00 N ATOM 701 CA LEU A 70 -9.832 10.449 -10.388 1.00 0.00 C ATOM 702 C LEU A 70 -9.453 10.988 -11.763 1.00 0.00 C ATOM 703 O LEU A 70 -8.892 10.270 -12.590 1.00 0.00 O ATOM 704 CB LEU A 70 -11.355 10.421 -10.241 1.00 0.00 C ATOM 705 CG LEU A 70 -12.122 9.687 -11.341 1.00 0.00 C ATOM 706 CD1 LEU A 70 -13.404 9.084 -10.786 1.00 0.00 C ATOM 707 CD2 LEU A 70 -12.429 10.628 -12.495 1.00 0.00 C ATOM 0 H LEU A 70 -9.895 11.562 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.445 9.434 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.599 9.958 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.715 11.449 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.496 8.877 -11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.937 8.565 -11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.160 8.377 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.035 9.877 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.975 10.089 -13.269 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.035 11.459 -12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.497 11.012 -12.909 1.00 0.00 H new ATOM 718 N SER A 71 -9.761 12.259 -12.001 1.00 0.00 N ATOM 719 CA SER A 71 -9.453 12.895 -13.276 1.00 0.00 C ATOM 720 C SER A 71 -7.955 13.159 -13.405 1.00 0.00 C ATOM 721 O SER A 71 -7.468 13.520 -14.476 1.00 0.00 O ATOM 722 CB SER A 71 -10.228 14.208 -13.414 1.00 0.00 C ATOM 723 OG SER A 71 -9.914 14.858 -14.635 1.00 0.00 O ATOM 0 H SER A 71 -10.224 12.869 -11.327 1.00 0.00 H new ATOM 0 HA SER A 71 -9.754 12.217 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.299 14.009 -13.369 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.990 14.864 -12.577 1.00 0.00 H new ATOM 0 HG SER A 71 -8.977 14.687 -14.865 1.00 0.00 H new ATOM 728 N ILE A 72 -7.232 12.976 -12.304 1.00 0.00 N ATOM 729 CA ILE A 72 -5.792 13.193 -12.293 1.00 0.00 C ATOM 730 C ILE A 72 -5.045 11.948 -12.762 1.00 0.00 C ATOM 731 O ILE A 72 -4.455 11.936 -13.842 1.00 0.00 O ATOM 732 CB ILE A 72 -5.291 13.580 -10.888 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.947 14.885 -10.432 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.776 13.714 -10.886 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.508 15.331 -9.055 1.00 0.00 C ATOM 0 H ILE A 72 -7.621 12.678 -11.409 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.592 14.015 -12.980 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.568 12.792 -10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.714 15.670 -11.151 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.030 14.759 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.436 13.988 -9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.326 12.764 -11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.478 14.487 -11.595 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.012 16.262 -8.796 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.765 14.564 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.430 15.489 -9.050 1.00 0.00 H new ATOM 746 N GLY A 73 -5.077 10.902 -11.943 1.00 0.00 N ATOM 747 CA GLY A 73 -4.400 9.667 -12.291 1.00 0.00 C ATOM 748 C GLY A 73 -4.586 8.588 -11.243 1.00 0.00 C ATOM 749 O GLY A 73 -3.615 8.107 -10.658 1.00 0.00 O ATOM 0 H GLY A 73 -5.560 10.888 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.776 9.308 -13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.336 9.864 -12.420 1.00 0.00 H new ATOM 753 N PHE A 74 -5.836 8.208 -11.002 1.00 0.00 N ATOM 754 CA PHE A 74 -6.146 7.181 -10.013 1.00 0.00 C ATOM 755 C PHE A 74 -7.197 6.212 -10.549 1.00 0.00 C ATOM 756 O PHE A 74 -8.200 5.942 -9.888 1.00 0.00 O ATOM 757 CB PHE A 74 -6.643 7.825 -8.717 1.00 0.00 C ATOM 758 CG PHE A 74 -6.224 7.084 -7.481 1.00 0.00 C ATOM 759 CD1 PHE A 74 -4.884 6.846 -7.220 1.00 0.00 C ATOM 760 CD2 PHE A 74 -7.169 6.623 -6.578 1.00 0.00 C ATOM 761 CE1 PHE A 74 -4.494 6.163 -6.083 1.00 0.00 C ATOM 762 CE2 PHE A 74 -6.784 5.941 -5.438 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.446 5.710 -5.192 1.00 0.00 C ATOM 0 H PHE A 74 -6.651 8.595 -11.478 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.233 6.622 -9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.269 8.847 -8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.731 7.884 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.135 7.199 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.218 6.798 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.446 5.984 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.530 5.589 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.144 5.175 -4.303 1.00 0.00 H new ATOM 772 N GLU A 75 -6.957 5.692 -11.748 1.00 0.00 N ATOM 773 CA GLU A 75 -7.882 4.753 -12.372 1.00 0.00 C ATOM 774 C GLU A 75 -7.701 3.349 -11.800 1.00 0.00 C ATOM 775 O GLU A 75 -6.577 2.883 -11.610 1.00 0.00 O ATOM 776 CB GLU A 75 -7.673 4.728 -13.887 1.00 0.00 C ATOM 777 CG GLU A 75 -6.514 3.852 -14.328 1.00 0.00 C ATOM 778 CD GLU A 75 -5.193 4.283 -13.722 1.00 0.00 C ATOM 779 OE1 GLU A 75 -4.898 5.496 -13.742 1.00 0.00 O ATOM 780 OE2 GLU A 75 -4.454 3.407 -13.228 1.00 0.00 O ATOM 0 H GLU A 75 -6.131 5.905 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.897 5.086 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.587 4.375 -14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.502 5.746 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.718 2.818 -14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.437 3.879 -15.415 1.00 0.00 H new ATOM 785 N THR A 76 -8.817 2.680 -11.527 1.00 0.00 N ATOM 786 CA THR A 76 -8.782 1.331 -10.976 1.00 0.00 C ATOM 787 C THR A 76 -10.167 0.692 -10.999 1.00 0.00 C ATOM 788 O THR A 76 -11.163 1.332 -10.659 1.00 0.00 O ATOM 789 CB THR A 76 -8.254 1.329 -9.528 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.475 0.047 -8.928 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.938 2.407 -8.701 1.00 0.00 C ATOM 0 H THR A 76 -9.755 3.050 -11.678 1.00 0.00 H new ATOM 0 HA THR A 76 -8.105 0.751 -11.603 1.00 0.00 H new ATOM 0 HB THR A 76 -7.185 1.538 -9.554 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.548 0.149 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.549 2.386 -7.683 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.743 3.384 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.012 2.225 -8.683 1.00 0.00 H new ATOM 799 N CYS A 77 -10.222 -0.571 -11.404 1.00 0.00 N ATOM 800 CA CYS A 77 -11.485 -1.298 -11.473 1.00 0.00 C ATOM 801 C CYS A 77 -11.716 -2.109 -10.201 1.00 0.00 C ATOM 802 O CYS A 77 -12.353 -3.162 -10.231 1.00 0.00 O ATOM 803 CB CYS A 77 -11.498 -2.224 -12.691 1.00 0.00 C ATOM 804 SG CYS A 77 -11.576 -1.352 -14.288 1.00 0.00 S ATOM 0 H CYS A 77 -9.407 -1.114 -11.690 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.290 -0.570 -11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.602 -2.845 -12.672 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -12.353 -2.896 -12.614 1.00 0.00 H new ATOM 808 N ARG A 78 -11.195 -1.610 -9.085 1.00 0.00 N ATOM 809 CA ARG A 78 -11.344 -2.287 -7.803 1.00 0.00 C ATOM 810 C ARG A 78 -11.479 -1.277 -6.667 1.00 0.00 C ATOM 811 O ARG A 78 -10.525 -0.573 -6.333 1.00 0.00 O ATOM 812 CB ARG A 78 -10.147 -3.205 -7.545 1.00 0.00 C ATOM 813 CG ARG A 78 -10.047 -4.365 -8.521 1.00 0.00 C ATOM 814 CD ARG A 78 -11.213 -5.328 -8.362 1.00 0.00 C ATOM 815 NE ARG A 78 -10.783 -6.724 -8.425 1.00 0.00 N ATOM 816 CZ ARG A 78 -11.623 -7.752 -8.405 1.00 0.00 C ATOM 817 NH1 ARG A 78 -12.929 -7.545 -8.324 1.00 0.00 N ATOM 818 NH2 ARG A 78 -11.155 -8.993 -8.466 1.00 0.00 N ATOM 0 H ARG A 78 -10.666 -0.739 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.253 -2.888 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.231 -2.617 -7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.214 -3.599 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.026 -3.983 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.109 -4.897 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.708 -5.144 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.948 -5.139 -9.144 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.784 -6.919 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.293 -6.593 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.571 -8.337 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.150 -9.157 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.800 -9.783 -8.451 1.00 0.00 H new ATOM 829 N TYR A 79 -12.667 -1.213 -6.078 1.00 0.00 N ATOM 830 CA TYR A 79 -12.928 -0.288 -4.981 1.00 0.00 C ATOM 831 C TYR A 79 -11.861 -0.414 -3.897 1.00 0.00 C ATOM 832 O TYR A 79 -11.225 -1.456 -3.755 1.00 0.00 O ATOM 833 CB TYR A 79 -14.311 -0.550 -4.383 1.00 0.00 C ATOM 834 CG TYR A 79 -14.576 -2.007 -4.085 1.00 0.00 C ATOM 835 CD1 TYR A 79 -14.134 -2.585 -2.901 1.00 0.00 C ATOM 836 CD2 TYR A 79 -15.267 -2.808 -4.986 1.00 0.00 C ATOM 837 CE1 TYR A 79 -14.373 -3.918 -2.623 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.512 -4.140 -4.717 1.00 0.00 C ATOM 839 CZ TYR A 79 -15.062 -4.691 -3.535 1.00 0.00 C ATOM 840 OH TYR A 79 -15.303 -6.018 -3.262 1.00 0.00 O ATOM 0 H TYR A 79 -13.465 -1.791 -6.341 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.898 0.726 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.414 0.025 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.071 -0.185 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.594 -1.982 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.619 -2.381 -5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.023 -4.352 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.053 -4.747 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.524 -6.406 -2.812 1.00 0.00 H new ATOM 849 N GLY A 80 -11.673 0.658 -3.135 1.00 0.00 N ATOM 850 CA GLY A 80 -10.684 0.650 -2.073 1.00 0.00 C ATOM 851 C GLY A 80 -11.269 1.043 -0.731 1.00 0.00 C ATOM 852 O GLY A 80 -12.488 1.129 -0.580 1.00 0.00 O ATOM 0 H GLY A 80 -12.188 1.533 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.245 -0.345 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.876 1.336 -2.328 1.00 0.00 H new ATOM 856 N PHE A 81 -10.400 1.281 0.245 1.00 0.00 N ATOM 857 CA PHE A 81 -10.839 1.664 1.582 1.00 0.00 C ATOM 858 C PHE A 81 -10.278 3.031 1.966 1.00 0.00 C ATOM 859 O PHE A 81 -9.117 3.149 2.361 1.00 0.00 O ATOM 860 CB PHE A 81 -10.402 0.615 2.605 1.00 0.00 C ATOM 861 CG PHE A 81 -10.802 -0.786 2.238 1.00 0.00 C ATOM 862 CD1 PHE A 81 -12.080 -1.054 1.772 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.903 -1.831 2.357 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.452 -2.341 1.432 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.269 -3.120 2.018 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.545 -3.375 1.555 1.00 0.00 C ATOM 0 H PHE A 81 -9.388 1.216 0.136 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.927 1.725 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.319 0.657 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.832 0.864 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.793 -0.248 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.904 -1.637 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.451 -2.538 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.558 -3.927 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.833 -4.381 1.290 1.00 0.00 H new ATOM 875 N ILE A 82 -11.110 4.059 1.850 1.00 0.00 N ATOM 876 CA ILE A 82 -10.699 5.416 2.185 1.00 0.00 C ATOM 877 C ILE A 82 -10.863 5.689 3.676 1.00 0.00 C ATOM 878 O ILE A 82 -11.084 4.768 4.464 1.00 0.00 O ATOM 879 CB ILE A 82 -11.506 6.462 1.393 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.952 6.509 1.894 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.465 6.146 -0.094 1.00 0.00 C ATOM 882 CD1 ILE A 82 -13.815 7.507 1.155 1.00 0.00 C ATOM 0 H ILE A 82 -12.074 3.978 1.526 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.646 5.500 1.916 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.055 7.442 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.394 5.517 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.952 6.756 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.040 6.894 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.431 6.158 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.895 5.159 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.826 7.486 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.397 8.507 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.845 7.248 0.097 1.00 0.00 H new ATOM 893 N GLU A 83 -10.755 6.957 4.057 1.00 0.00 N ATOM 894 CA GLU A 83 -10.893 7.349 5.455 1.00 0.00 C ATOM 895 C GLU A 83 -12.102 6.672 6.094 1.00 0.00 C ATOM 896 O GLU A 83 -11.974 5.961 7.089 1.00 0.00 O ATOM 897 CB GLU A 83 -11.026 8.869 5.571 1.00 0.00 C ATOM 898 CG GLU A 83 -11.231 9.355 6.996 1.00 0.00 C ATOM 899 CD GLU A 83 -9.997 9.170 7.859 1.00 0.00 C ATOM 900 OE1 GLU A 83 -9.045 9.965 7.708 1.00 0.00 O ATOM 901 OE2 GLU A 83 -9.983 8.233 8.683 1.00 0.00 O ATOM 0 H GLU A 83 -10.572 7.731 3.418 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.996 7.028 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.130 9.336 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.865 9.200 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.504 10.410 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.066 8.816 7.443 1.00 0.00 H new ATOM 906 N GLY A 84 -13.276 6.898 5.512 1.00 0.00 N ATOM 907 CA GLY A 84 -14.491 6.305 6.038 1.00 0.00 C ATOM 908 C GLY A 84 -15.512 6.021 4.954 1.00 0.00 C ATOM 909 O GLY A 84 -16.628 6.541 4.992 1.00 0.00 O ATOM 0 H GLY A 84 -13.407 7.481 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.245 5.377 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.928 6.975 6.778 1.00 0.00 H new ATOM 913 N HIS A 85 -15.132 5.194 3.985 1.00 0.00 N ATOM 914 CA HIS A 85 -16.024 4.844 2.884 1.00 0.00 C ATOM 915 C HIS A 85 -15.333 3.898 1.905 1.00 0.00 C ATOM 916 O HIS A 85 -14.222 3.430 2.158 1.00 0.00 O ATOM 917 CB HIS A 85 -16.485 6.105 2.153 1.00 0.00 C ATOM 918 CG HIS A 85 -17.963 6.334 2.230 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.893 5.367 1.911 1.00 0.00 N ATOM 920 CD2 HIS A 85 -18.671 7.428 2.597 1.00 0.00 C ATOM 921 CE1 HIS A 85 -20.109 5.857 2.074 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.002 7.106 2.491 1.00 0.00 N ATOM 0 H HIS A 85 -14.213 4.754 3.939 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.894 4.336 3.301 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.969 6.968 2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.190 6.037 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.265 8.377 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -21.033 5.327 1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.781 7.730 2.700 1.00 0.00 H new ATOM 929 N VAL A 86 -15.998 3.622 0.789 1.00 0.00 N ATOM 930 CA VAL A 86 -15.449 2.732 -0.227 1.00 0.00 C ATOM 931 C VAL A 86 -15.950 3.109 -1.616 1.00 0.00 C ATOM 932 O VAL A 86 -17.071 2.771 -1.997 1.00 0.00 O ATOM 933 CB VAL A 86 -15.814 1.263 0.058 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.266 0.356 -1.035 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.293 0.840 1.422 1.00 0.00 C ATOM 0 H VAL A 86 -16.918 4.002 0.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.365 2.842 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.900 1.171 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.533 -0.678 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.691 0.646 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.181 0.450 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.560 -0.201 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.208 0.946 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.737 1.471 2.192 1.00 0.00 H new ATOM 945 N VAL A 87 -15.110 3.811 -2.372 1.00 0.00 N ATOM 946 CA VAL A 87 -15.468 4.232 -3.721 1.00 0.00 C ATOM 947 C VAL A 87 -14.662 3.469 -4.768 1.00 0.00 C ATOM 948 O VAL A 87 -13.800 2.658 -4.430 1.00 0.00 O ATOM 949 CB VAL A 87 -15.240 5.743 -3.916 1.00 0.00 C ATOM 950 CG1 VAL A 87 -16.091 6.542 -2.939 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.767 6.085 -3.754 1.00 0.00 C ATOM 0 H VAL A 87 -14.178 4.099 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.528 4.011 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.543 6.010 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.917 7.607 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.145 6.319 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.822 6.273 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.625 7.156 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.436 5.803 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.183 5.541 -4.496 1.00 0.00 H new ATOM 961 N ILE A 88 -14.948 3.737 -6.036 1.00 0.00 N ATOM 962 CA ILE A 88 -14.249 3.077 -7.132 1.00 0.00 C ATOM 963 C ILE A 88 -14.226 3.955 -8.378 1.00 0.00 C ATOM 964 O ILE A 88 -15.056 3.824 -9.277 1.00 0.00 O ATOM 965 CB ILE A 88 -14.901 1.726 -7.482 1.00 0.00 C ATOM 966 CG1 ILE A 88 -14.250 1.131 -8.733 1.00 0.00 C ATOM 967 CG2 ILE A 88 -16.397 1.897 -7.687 1.00 0.00 C ATOM 968 CD1 ILE A 88 -14.426 -0.367 -8.852 1.00 0.00 C ATOM 0 H ILE A 88 -15.659 4.406 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.227 2.902 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.745 1.038 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.674 1.610 -9.616 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -13.185 1.364 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.843 0.933 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.848 2.282 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.575 2.598 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.939 -0.719 -9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.977 -0.856 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.489 -0.606 -8.893 1.00 0.00 H new ATOM 979 N PRO A 89 -13.249 4.874 -8.436 1.00 0.00 N ATOM 980 CA PRO A 89 -13.091 5.790 -9.569 1.00 0.00 C ATOM 981 C PRO A 89 -12.629 5.076 -10.834 1.00 0.00 C ATOM 982 O PRO A 89 -11.918 4.072 -10.766 1.00 0.00 O ATOM 983 CB PRO A 89 -12.020 6.770 -9.085 1.00 0.00 C ATOM 984 CG PRO A 89 -11.242 6.008 -8.068 1.00 0.00 C ATOM 985 CD PRO A 89 -12.224 5.086 -7.401 1.00 0.00 C ATOM 0 HA PRO A 89 -14.033 6.267 -9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.383 7.098 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.468 7.664 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.434 5.445 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.784 6.681 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.755 4.149 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.648 5.533 -6.501 1.00 0.00 H new ATOM 990 N ARG A 90 -13.036 5.598 -11.986 1.00 0.00 N ATOM 991 CA ARG A 90 -12.662 5.009 -13.265 1.00 0.00 C ATOM 992 C ARG A 90 -12.431 6.091 -14.316 1.00 0.00 C ATOM 993 O ARG A 90 -13.332 6.868 -14.630 1.00 0.00 O ATOM 994 CB ARG A 90 -13.751 4.044 -13.743 1.00 0.00 C ATOM 995 CG ARG A 90 -13.432 2.584 -13.470 1.00 0.00 C ATOM 996 CD ARG A 90 -14.663 1.824 -13.003 1.00 0.00 C ATOM 997 NE ARG A 90 -14.351 0.442 -12.647 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.173 -0.344 -11.958 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.349 0.115 -11.554 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -14.818 -1.589 -11.674 1.00 0.00 N ATOM 0 H ARG A 90 -13.625 6.428 -12.060 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.732 4.458 -13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.691 4.299 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.901 4.180 -14.814 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.038 2.121 -14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.652 2.516 -12.712 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.097 2.331 -12.141 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.416 1.834 -13.791 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.453 0.059 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.625 1.073 -11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.978 -0.489 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.914 -1.945 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.449 -2.191 -11.145 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.216 6.136 -14.854 1.00 0.00 N ATOM 1012 CA ILE A 91 -10.866 7.122 -15.867 1.00 0.00 C ATOM 1013 C ILE A 91 -11.285 6.654 -17.257 1.00 0.00 C ATOM 1014 O ILE A 91 -12.155 7.252 -17.890 1.00 0.00 O ATOM 1015 CB ILE A 91 -9.354 7.415 -15.870 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -8.919 7.976 -14.514 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -9.004 8.386 -16.987 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -7.446 8.311 -14.444 1.00 0.00 C ATOM 0 H ILE A 91 -10.458 5.500 -14.604 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.404 8.036 -15.616 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.819 6.482 -16.046 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.498 8.874 -14.298 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.156 7.250 -13.736 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.932 8.583 -16.975 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.283 7.952 -17.947 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.546 9.320 -16.840 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.209 8.703 -13.455 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.859 7.411 -14.628 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.207 9.060 -15.199 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.659 5.579 -17.726 1.00 0.00 N ATOM 1030 CA HIS A 92 -10.968 5.028 -19.041 1.00 0.00 C ATOM 1031 C HIS A 92 -10.902 3.504 -19.021 1.00 0.00 C ATOM 1032 O HIS A 92 -10.065 2.886 -19.677 1.00 0.00 O ATOM 1033 CB HIS A 92 -9.999 5.578 -20.089 1.00 0.00 C ATOM 1034 CG HIS A 92 -10.514 5.478 -21.491 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -9.814 4.863 -22.507 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -11.668 5.918 -22.044 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -10.513 4.931 -23.626 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -11.645 5.566 -23.372 1.00 0.00 N ATOM 0 H HIS A 92 -9.935 5.073 -17.216 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.983 5.327 -19.303 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.786 6.623 -19.862 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.055 5.038 -20.018 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.460 6.448 -21.536 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.211 4.536 -24.585 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.381 5.762 -24.051 1.00 0.00 H new ATOM 1045 N PRO A 93 -11.805 2.883 -18.248 1.00 0.00 N ATOM 1046 CA PRO A 93 -11.870 1.423 -18.124 1.00 0.00 C ATOM 1047 C PRO A 93 -12.359 0.753 -19.403 1.00 0.00 C ATOM 1048 O PRO A 93 -12.449 1.390 -20.452 1.00 0.00 O ATOM 1049 CB PRO A 93 -12.875 1.208 -16.989 1.00 0.00 C ATOM 1050 CG PRO A 93 -13.730 2.429 -17.005 1.00 0.00 C ATOM 1051 CD PRO A 93 -12.833 3.556 -17.437 1.00 0.00 C ATOM 0 HA PRO A 93 -10.890 0.986 -17.932 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.468 0.307 -17.150 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.370 1.090 -16.030 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.567 2.310 -17.693 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.153 2.622 -16.019 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.376 4.303 -18.016 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.396 4.072 -16.582 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.670 -0.535 -19.309 1.00 0.00 N ATOM 1057 CA ASN A 94 -13.149 -1.292 -20.460 1.00 0.00 C ATOM 1058 C ASN A 94 -14.273 -2.242 -20.057 1.00 0.00 C ATOM 1059 O ASN A 94 -14.584 -2.387 -18.875 1.00 0.00 O ATOM 1060 CB ASN A 94 -12.002 -2.081 -21.092 1.00 0.00 C ATOM 1061 CG ASN A 94 -12.101 -2.137 -22.604 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -12.743 -1.291 -23.227 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -11.466 -3.137 -23.203 1.00 0.00 N ATOM 0 H ASN A 94 -12.599 -1.077 -18.448 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.540 -0.584 -21.191 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.053 -1.625 -20.810 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.000 -3.095 -20.693 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.499 -3.226 -24.219 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.946 -3.816 -22.648 1.00 0.00 H new ATOM 1069 N SER A 95 -14.879 -2.888 -21.049 1.00 0.00 N ATOM 1070 CA SER A 95 -15.970 -3.822 -20.799 1.00 0.00 C ATOM 1071 C SER A 95 -15.564 -4.867 -19.763 1.00 0.00 C ATOM 1072 O SER A 95 -16.407 -5.402 -19.041 1.00 0.00 O ATOM 1073 CB SER A 95 -16.389 -4.511 -22.099 1.00 0.00 C ATOM 1074 OG SER A 95 -15.260 -4.807 -22.905 1.00 0.00 O ATOM 0 H SER A 95 -14.632 -2.781 -22.033 1.00 0.00 H new ATOM 0 HA SER A 95 -16.816 -3.257 -20.408 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.928 -5.430 -21.870 1.00 0.00 H new ATOM 0 HB3 SER A 95 -17.075 -3.868 -22.650 1.00 0.00 H new ATOM 0 HG SER A 95 -15.553 -5.248 -23.729 1.00 0.00 H new ATOM 1079 N ILE A 96 -14.269 -5.152 -19.697 1.00 0.00 N ATOM 1080 CA ILE A 96 -13.750 -6.132 -18.750 1.00 0.00 C ATOM 1081 C ILE A 96 -14.117 -5.759 -17.317 1.00 0.00 C ATOM 1082 O ILE A 96 -14.223 -6.625 -16.447 1.00 0.00 O ATOM 1083 CB ILE A 96 -12.219 -6.264 -18.858 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -11.540 -4.973 -18.398 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -11.817 -6.600 -20.287 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -10.030 -5.031 -18.456 1.00 0.00 C ATOM 0 H ILE A 96 -13.559 -4.719 -20.288 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.207 -7.088 -19.003 1.00 0.00 H new ATOM 0 HB ILE A 96 -11.892 -7.075 -18.208 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -11.888 -4.148 -19.019 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.848 -4.754 -17.376 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.732 -6.690 -20.348 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.277 -7.543 -20.582 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.153 -5.808 -20.956 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.616 -4.082 -18.116 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.672 -5.835 -17.813 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.712 -5.219 -19.482 1.00 0.00 H new ATOM 1097 N CYS A 97 -14.310 -4.466 -17.079 1.00 0.00 N ATOM 1098 CA CYS A 97 -14.667 -3.978 -15.753 1.00 0.00 C ATOM 1099 C CYS A 97 -16.174 -4.064 -15.528 1.00 0.00 C ATOM 1100 O CYS A 97 -16.904 -4.614 -16.352 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.196 -2.533 -15.575 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.394 -2.314 -15.728 1.00 0.00 S ATOM 0 H CYS A 97 -14.225 -3.737 -17.788 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.171 -4.609 -15.016 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.692 -1.907 -16.317 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.513 -2.177 -14.595 1.00 0.00 H new ATOM 1106 N ALA A 98 -16.631 -3.516 -14.407 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.051 -3.530 -14.074 1.00 0.00 C ATOM 1108 C ALA A 98 -18.823 -2.525 -14.922 1.00 0.00 C ATOM 1109 O ALA A 98 -18.848 -1.333 -14.619 1.00 0.00 O ATOM 1110 CB ALA A 98 -18.249 -3.237 -12.594 1.00 0.00 C ATOM 0 H ALA A 98 -16.039 -3.057 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.440 -4.525 -14.291 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -19.313 -3.251 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.737 -3.995 -12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.838 -2.255 -12.359 1.00 0.00 H new ATOM 1116 N ALA A 99 -19.451 -3.014 -15.986 1.00 0.00 N ATOM 1117 CA ALA A 99 -20.223 -2.157 -16.877 1.00 0.00 C ATOM 1118 C ALA A 99 -19.432 -0.914 -17.269 1.00 0.00 C ATOM 1119 O ALA A 99 -20.007 0.138 -17.543 1.00 0.00 O ATOM 1120 CB ALA A 99 -21.538 -1.764 -16.222 1.00 0.00 C ATOM 0 H ALA A 99 -19.440 -3.999 -16.252 1.00 0.00 H new ATOM 0 HA ALA A 99 -20.436 -2.720 -17.786 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.104 -1.124 -16.898 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.117 -2.661 -16.001 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.337 -1.225 -15.296 1.00 0.00 H new ATOM 1126 N ASN A 100 -18.110 -1.043 -17.289 1.00 0.00 N ATOM 1127 CA ASN A 100 -17.238 0.072 -17.646 1.00 0.00 C ATOM 1128 C ASN A 100 -17.749 1.375 -17.040 1.00 0.00 C ATOM 1129 O ASN A 100 -17.857 2.390 -17.728 1.00 0.00 O ATOM 1130 CB ASN A 100 -17.143 0.205 -19.166 1.00 0.00 C ATOM 1131 CG ASN A 100 -18.491 0.468 -19.809 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -19.188 -0.598 -20.179 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -18.899 1.619 -19.973 1.00 0.00 N flip ATOM 0 H ASN A 100 -17.618 -1.907 -17.063 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.245 -0.131 -17.244 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -16.460 1.017 -19.415 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.717 -0.708 -19.582 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.329 2.410 -19.673 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.807 1.781 -20.409 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.061 1.340 -15.749 1.00 0.00 N ATOM 1140 CA ASN A 101 -18.561 2.519 -15.049 1.00 0.00 C ATOM 1141 C ASN A 101 -17.477 3.588 -14.944 1.00 0.00 C ATOM 1142 O ASN A 101 -16.753 3.659 -13.952 1.00 0.00 O ATOM 1143 CB ASN A 101 -19.055 2.139 -13.654 1.00 0.00 C ATOM 1144 CG ASN A 101 -20.047 0.991 -13.682 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -20.947 1.013 -14.658 1.00 0.00 O flip ATOM 1146 ND2 ASN A 101 -20.003 0.097 -12.840 1.00 0.00 N flip ATOM 0 H ASN A 101 -17.977 0.508 -15.165 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.394 2.926 -15.622 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -18.203 1.864 -13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.522 3.007 -13.188 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -19.294 0.121 -12.107 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.676 -0.669 -12.874 1.00 0.00 H new ATOM 1152 N THR A 102 -17.374 4.419 -15.977 1.00 0.00 N ATOM 1153 CA THR A 102 -16.379 5.486 -16.002 1.00 0.00 C ATOM 1154 C THR A 102 -16.850 6.696 -15.202 1.00 0.00 C ATOM 1155 O THR A 102 -17.877 7.297 -15.516 1.00 0.00 O ATOM 1156 CB THR A 102 -16.065 5.927 -17.444 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.107 6.780 -17.932 1.00 0.00 O ATOM 1158 CG2 THR A 102 -15.919 4.722 -18.359 1.00 0.00 C ATOM 0 H THR A 102 -17.966 4.374 -16.806 1.00 0.00 H new ATOM 0 HA THR A 102 -15.473 5.085 -15.548 1.00 0.00 H new ATOM 0 HB THR A 102 -15.122 6.473 -17.437 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.806 6.866 -17.250 1.00 0.00 H new ATOM 0 HG21 THR A 102 -15.698 5.059 -19.372 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.107 4.090 -18.001 1.00 0.00 H new ATOM 0 HG23 THR A 102 -16.848 4.152 -18.361 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.092 7.048 -14.169 1.00 0.00 N ATOM 1167 CA GLY A 103 -16.449 8.186 -13.341 1.00 0.00 C ATOM 1168 C GLY A 103 -16.317 7.889 -11.860 1.00 0.00 C ATOM 1169 O GLY A 103 -15.439 7.131 -11.446 1.00 0.00 O ATOM 0 H GLY A 103 -15.237 6.566 -13.890 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.811 9.032 -13.597 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.475 8.483 -13.559 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.190 8.489 -11.058 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.169 8.286 -9.615 1.00 0.00 C ATOM 1175 C VAL A 104 -18.377 7.479 -9.154 1.00 0.00 C ATOM 1176 O VAL A 104 -19.519 7.925 -9.279 1.00 0.00 O ATOM 1177 CB VAL A 104 -17.143 9.628 -8.860 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -17.190 9.396 -7.356 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.910 10.432 -9.245 1.00 0.00 C ATOM 0 H VAL A 104 -17.922 9.121 -11.384 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.259 7.731 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.026 10.201 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -17.171 10.355 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.105 8.863 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.327 8.803 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.908 11.377 -8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.013 9.866 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.924 10.629 -10.317 1.00 0.00 H new ATOM 1189 N TYR A 105 -18.119 6.291 -8.621 1.00 0.00 N ATOM 1190 CA TYR A 105 -19.188 5.420 -8.142 1.00 0.00 C ATOM 1191 C TYR A 105 -18.816 4.786 -6.806 1.00 0.00 C ATOM 1192 O TYR A 105 -17.643 4.525 -6.534 1.00 0.00 O ATOM 1193 CB TYR A 105 -19.483 4.328 -9.173 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.712 3.508 -8.850 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -21.968 4.098 -8.783 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.617 2.142 -8.612 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -23.093 3.353 -8.488 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -21.736 1.389 -8.317 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.971 1.999 -8.256 1.00 0.00 C ATOM 1200 OH TYR A 105 -24.091 1.253 -7.962 1.00 0.00 O ATOM 0 H TYR A 105 -17.180 5.908 -8.509 1.00 0.00 H new ATOM 0 HA TYR A 105 -20.082 6.027 -7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -19.611 4.789 -10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.621 3.664 -9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -22.066 5.158 -8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -19.651 1.661 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -24.062 3.828 -8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -21.644 0.328 -8.135 1.00 0.00 H new ATOM 0 HH TYR A 105 -23.834 0.317 -7.827 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.823 4.542 -5.974 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.604 3.938 -4.665 1.00 0.00 C ATOM 1211 C ILE A 106 -19.740 2.420 -4.732 1.00 0.00 C ATOM 1212 O ILE A 106 -20.551 1.890 -5.492 1.00 0.00 O ATOM 1213 CB ILE A 106 -20.593 4.484 -3.620 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -20.156 4.078 -2.212 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -22.001 3.983 -3.910 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -19.972 5.250 -1.273 1.00 0.00 C ATOM 0 H ILE A 106 -20.799 4.753 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.589 4.198 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.597 5.572 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -20.898 3.400 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.219 3.525 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -22.689 4.378 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -22.310 4.318 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -22.014 2.894 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.662 4.886 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -19.208 5.918 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -20.913 5.791 -1.178 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.939 1.726 -3.930 1.00 0.00 N ATOM 1228 CA LEU A 107 -18.970 0.267 -3.895 1.00 0.00 C ATOM 1229 C LEU A 107 -18.633 -0.252 -2.501 1.00 0.00 C ATOM 1230 O LEU A 107 -18.343 0.525 -1.591 1.00 0.00 O ATOM 1231 CB LEU A 107 -17.988 -0.308 -4.916 1.00 0.00 C ATOM 1232 CG LEU A 107 -18.577 -0.687 -6.277 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -17.480 -1.131 -7.230 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -19.625 -1.779 -6.118 1.00 0.00 C ATOM 0 H LEU A 107 -18.261 2.149 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.980 -0.056 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.194 0.421 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.524 -1.195 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.060 0.194 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.919 -1.396 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.767 -0.318 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.966 -1.998 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.033 -2.036 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.166 -2.662 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -20.427 -1.422 -5.472 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.898 -9.397 1.219 1.00 0.00 N ATOM 1307 CA GLN A 113 -10.088 -8.186 1.289 1.00 0.00 C ATOM 1308 C GLN A 113 -9.813 -7.633 -0.106 1.00 0.00 C ATOM 1309 O GLN A 113 -10.243 -8.205 -1.106 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.768 -8.474 2.007 1.00 0.00 C ATOM 1311 CG GLN A 113 -7.995 -9.642 1.415 1.00 0.00 C ATOM 1312 CD GLN A 113 -8.288 -10.951 2.121 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -9.180 -11.700 1.721 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -7.537 -11.236 3.178 1.00 0.00 N ATOM 0 HA GLN A 113 -10.645 -7.437 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.143 -7.581 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -8.973 -8.680 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -8.244 -9.740 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -6.927 -9.433 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.808 -10.587 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.689 -12.104 3.692 1.00 0.00 H new ATOM 1321 N TYR A 114 -9.093 -6.518 -0.163 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.763 -5.886 -1.435 1.00 0.00 C ATOM 1323 C TYR A 114 -7.638 -4.870 -1.262 1.00 0.00 C ATOM 1324 O TYR A 114 -7.105 -4.698 -0.166 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.998 -5.201 -2.024 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.767 -6.070 -2.994 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.230 -6.408 -4.230 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -12.032 -6.550 -2.675 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -10.930 -7.200 -5.119 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.737 -7.345 -3.558 1.00 0.00 C ATOM 1331 CZ TYR A 114 -12.182 -7.666 -4.779 1.00 0.00 C ATOM 1332 OH TYR A 114 -12.882 -8.456 -5.662 1.00 0.00 O ATOM 0 H TYR A 114 -8.727 -6.033 0.656 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.425 -6.663 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.661 -4.904 -1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.689 -4.288 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.249 -6.046 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.471 -6.297 -1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.498 -7.453 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.717 -7.713 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 114 -13.746 -8.700 -5.268 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.283 -4.201 -2.353 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.223 -3.200 -2.325 1.00 0.00 C ATOM 1343 C ASP A 115 -6.559 -2.080 -1.345 1.00 0.00 C ATOM 1344 O ASP A 115 -7.620 -2.083 -0.720 1.00 0.00 O ATOM 1345 CB ASP A 115 -6.000 -2.620 -3.723 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.566 -2.187 -3.950 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.732 -2.403 -3.045 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -4.277 -1.630 -5.029 1.00 0.00 O ATOM 0 H ASP A 115 -7.714 -4.334 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.307 -3.688 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.274 -3.365 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.661 -1.766 -3.868 1.00 0.00 H new ATOM 1352 N THR A 116 -5.645 -1.123 -1.212 1.00 0.00 N ATOM 1353 CA THR A 116 -5.842 0.001 -0.307 1.00 0.00 C ATOM 1354 C THR A 116 -5.172 1.262 -0.840 1.00 0.00 C ATOM 1355 O THR A 116 -4.135 1.192 -1.501 1.00 0.00 O ATOM 1356 CB THR A 116 -5.290 -0.305 1.099 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.715 0.703 2.023 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.770 -0.375 1.080 1.00 0.00 C ATOM 0 H THR A 116 -4.761 -1.105 -1.720 1.00 0.00 H new ATOM 0 HA THR A 116 -6.917 0.166 -0.239 1.00 0.00 H new ATOM 0 HB THR A 116 -5.679 -1.273 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.043 0.804 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.403 -0.592 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.451 -1.163 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.366 0.580 0.745 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.768 2.412 -0.549 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.229 3.689 -1.001 1.00 0.00 C ATOM 1368 C TYR A 117 -4.859 4.575 0.184 1.00 0.00 C ATOM 1369 O TYR A 117 -5.438 4.462 1.264 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.241 4.407 -1.894 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.860 3.516 -2.946 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.088 2.603 -3.653 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.218 3.587 -3.232 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.650 1.787 -4.616 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.790 2.774 -4.193 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.001 1.877 -4.882 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.564 1.064 -5.840 1.00 0.00 O ATOM 0 H TYR A 117 -6.625 2.487 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.325 3.489 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.033 4.822 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.748 5.246 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.030 2.530 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.837 4.289 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.036 1.083 -5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.847 2.841 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.364 0.633 -5.474 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.890 5.459 -0.026 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.441 6.367 1.023 1.00 0.00 C ATOM 1388 C CYS A 118 -3.062 7.726 0.442 1.00 0.00 C ATOM 1389 O CYS A 118 -2.717 7.834 -0.736 1.00 0.00 O ATOM 1390 CB CYS A 118 -2.247 5.767 1.769 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.583 4.149 2.533 1.00 0.00 S ATOM 0 H CYS A 118 -3.400 5.566 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.264 6.509 1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.414 5.662 1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.930 6.464 2.545 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.126 8.759 1.275 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.791 10.111 0.844 1.00 0.00 C ATOM 1397 C PHE A 119 -1.706 10.711 1.733 1.00 0.00 C ATOM 1398 O PHE A 119 -1.713 10.525 2.949 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.036 11.000 0.868 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.733 12.460 0.691 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.479 12.981 -0.567 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -3.702 13.312 1.784 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.200 14.326 -0.734 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.424 14.656 1.624 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.172 15.163 0.364 1.00 0.00 C ATOM 0 H PHE A 119 -3.407 8.686 2.253 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.412 10.057 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.716 10.680 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.556 10.857 1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.499 12.329 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.897 12.921 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.005 14.720 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.404 15.310 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.953 16.213 0.238 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.776 11.432 1.117 1.00 0.00 N ATOM 1415 CA ASN A 120 0.317 12.060 1.851 1.00 0.00 C ATOM 1416 C ASN A 120 0.168 13.578 1.856 1.00 0.00 C ATOM 1417 O ASN A 120 -0.497 14.150 0.993 1.00 0.00 O ATOM 1418 CB ASN A 120 1.663 11.671 1.237 1.00 0.00 C ATOM 1419 CG ASN A 120 2.443 10.711 2.114 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.915 9.672 1.651 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.583 11.056 3.389 1.00 0.00 N ATOM 0 H ASN A 120 -0.757 11.596 0.111 1.00 0.00 H new ATOM 0 HA ASN A 120 0.279 11.705 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.496 11.214 0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.256 12.570 1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.099 10.450 4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 120 2.175 11.927 3.730 1.00 0.00 H new ATOM 1427 N ALA A 121 0.793 14.226 2.834 1.00 0.00 N ATOM 1428 CA ALA A 121 0.731 15.677 2.950 1.00 0.00 C ATOM 1429 C ALA A 121 2.100 16.305 2.706 1.00 0.00 C ATOM 1430 O ALA A 121 2.707 16.868 3.616 1.00 0.00 O ATOM 1431 CB ALA A 121 0.204 16.076 4.320 1.00 0.00 C ATOM 0 H ALA A 121 1.348 13.768 3.557 1.00 0.00 H new ATOM 0 HA ALA A 121 0.047 16.048 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.163 17.163 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.796 15.665 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.867 15.686 5.093 1.00 0.00 H new ATOM 1437 N SER A 122 2.579 16.206 1.468 1.00 0.00 N ATOM 1438 CA SER A 122 3.878 16.760 1.105 1.00 0.00 C ATOM 1439 C SER A 122 3.980 16.960 -0.404 1.00 0.00 C ATOM 1440 O SER A 122 4.295 18.052 -0.876 1.00 0.00 O ATOM 1441 CB SER A 122 5.001 15.840 1.586 1.00 0.00 C ATOM 1442 OG SER A 122 4.845 15.519 2.958 1.00 0.00 O ATOM 0 H SER A 122 2.087 15.748 0.701 1.00 0.00 H new ATOM 0 HA SER A 122 3.980 17.730 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.005 14.925 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.965 16.325 1.430 1.00 0.00 H new ATOM 0 HG SER A 122 4.338 16.229 3.404 1.00 0.00 H new ATOM 1447 N ALA A 123 3.711 15.897 -1.155 1.00 0.00 N ATOM 1448 CA ALA A 123 3.769 15.955 -2.610 1.00 0.00 C ATOM 1449 C ALA A 123 2.951 17.125 -3.146 1.00 0.00 C ATOM 1450 O ALA A 123 2.073 17.660 -2.472 1.00 0.00 O ATOM 1451 CB ALA A 123 3.279 14.646 -3.210 1.00 0.00 C ATOM 0 H ALA A 123 3.451 14.985 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 123 4.808 16.109 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.328 14.703 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 123 3.909 13.828 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.249 14.468 -2.902 1.00 0.00 H new ATOM 1457 N PRO A 124 3.245 17.532 -4.390 1.00 0.00 N ATOM 1458 CA PRO A 124 2.548 18.643 -5.044 1.00 0.00 C ATOM 1459 C PRO A 124 1.106 18.296 -5.395 1.00 0.00 C ATOM 1460 O PRO A 124 0.690 17.138 -5.344 1.00 0.00 O ATOM 1461 CB PRO A 124 3.367 18.875 -6.318 1.00 0.00 C ATOM 1462 CG PRO A 124 4.014 17.562 -6.596 1.00 0.00 C ATOM 1463 CD PRO A 124 4.281 16.940 -5.253 1.00 0.00 C ATOM 0 HA PRO A 124 2.481 19.518 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.731 19.186 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.110 19.660 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.365 16.927 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.940 17.694 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.200 15.854 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.284 17.173 -4.895 1.00 0.00 H new ATOM 1468 N PRO A 125 0.322 19.321 -5.758 1.00 0.00 N ATOM 1469 CA PRO A 125 -1.088 19.149 -6.126 1.00 0.00 C ATOM 1470 C PRO A 125 -1.256 18.419 -7.454 1.00 0.00 C ATOM 1471 O PRO A 125 -2.350 17.967 -7.788 1.00 0.00 O ATOM 1472 CB PRO A 125 -1.605 20.586 -6.233 1.00 0.00 C ATOM 1473 CG PRO A 125 -0.398 21.400 -6.546 1.00 0.00 C ATOM 1474 CD PRO A 125 0.749 20.727 -5.841 1.00 0.00 C ATOM 0 HA PRO A 125 -1.628 18.542 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.359 20.678 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.070 20.910 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.224 21.443 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.520 22.427 -6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 125 1.680 20.832 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.919 21.154 -4.853 1.00 0.00 H new ATOM 1479 N GLU A 126 -0.165 18.311 -8.206 1.00 0.00 N ATOM 1480 CA GLU A 126 -0.194 17.638 -9.499 1.00 0.00 C ATOM 1481 C GLU A 126 0.495 16.279 -9.420 1.00 0.00 C ATOM 1482 O GLU A 126 0.973 15.875 -8.360 1.00 0.00 O ATOM 1483 CB GLU A 126 0.481 18.503 -10.565 1.00 0.00 C ATOM 1484 CG GLU A 126 1.960 18.738 -10.312 1.00 0.00 C ATOM 1485 CD GLU A 126 2.696 19.215 -11.548 1.00 0.00 C ATOM 1486 OE1 GLU A 126 2.104 19.991 -12.328 1.00 0.00 O ATOM 1487 OE2 GLU A 126 3.863 18.812 -11.738 1.00 0.00 O ATOM 0 H GLU A 126 0.748 18.680 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.237 17.482 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 126 0.359 18.027 -11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.028 19.466 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.076 19.476 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.415 17.813 -9.957 1.00 0.00 H new ATOM 1492 N GLU A 127 0.541 15.578 -10.549 1.00 0.00 N ATOM 1493 CA GLU A 127 1.171 14.264 -10.607 1.00 0.00 C ATOM 1494 C GLU A 127 2.691 14.385 -10.538 1.00 0.00 C ATOM 1495 O GLU A 127 3.301 15.116 -11.318 1.00 0.00 O ATOM 1496 CB GLU A 127 0.763 13.535 -11.889 1.00 0.00 C ATOM 1497 CG GLU A 127 1.257 14.212 -13.157 1.00 0.00 C ATOM 1498 CD GLU A 127 2.594 13.672 -13.624 1.00 0.00 C ATOM 1499 OE1 GLU A 127 2.850 12.467 -13.425 1.00 0.00 O ATOM 1500 OE2 GLU A 127 3.386 14.456 -14.188 1.00 0.00 O ATOM 0 H GLU A 127 0.150 15.898 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 127 0.831 13.688 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.150 12.516 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.324 13.462 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.519 14.077 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.344 15.284 -12.982 1.00 0.00 H new ATOM 1505 N ASP A 128 3.294 13.664 -9.600 1.00 0.00 N ATOM 1506 CA ASP A 128 4.741 13.690 -9.428 1.00 0.00 C ATOM 1507 C ASP A 128 5.273 12.300 -9.092 1.00 0.00 C ATOM 1508 O ASP A 128 4.864 11.690 -8.105 1.00 0.00 O ATOM 1509 CB ASP A 128 5.129 14.678 -8.327 1.00 0.00 C ATOM 1510 CG ASP A 128 5.529 16.032 -8.878 1.00 0.00 C ATOM 1511 OD1 ASP A 128 4.634 16.775 -9.335 1.00 0.00 O ATOM 1512 OD2 ASP A 128 6.736 16.349 -8.854 1.00 0.00 O ATOM 0 H ASP A 128 2.803 13.054 -8.947 1.00 0.00 H new ATOM 0 HA ASP A 128 5.188 14.013 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.290 14.801 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.956 14.266 -7.748 1.00 0.00 H new ATOM 1516 N CYS A 129 6.187 11.807 -9.920 1.00 0.00 N ATOM 1517 CA CYS A 129 6.775 10.488 -9.712 1.00 0.00 C ATOM 1518 C CYS A 129 7.993 10.573 -8.797 1.00 0.00 C ATOM 1519 O CYS A 129 9.064 10.058 -9.121 1.00 0.00 O ATOM 1520 CB CYS A 129 7.173 9.867 -11.053 1.00 0.00 C ATOM 1521 SG CYS A 129 5.765 9.260 -12.038 1.00 0.00 S ATOM 0 H CYS A 129 6.537 12.300 -10.741 1.00 0.00 H new ATOM 0 HA CYS A 129 6.027 9.856 -9.234 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.719 10.608 -11.637 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.858 9.039 -10.869 1.00 0.00 H new ATOM 1525 N THR A 130 7.821 11.227 -7.653 1.00 0.00 N ATOM 1526 CA THR A 130 8.905 11.381 -6.691 1.00 0.00 C ATOM 1527 C THR A 130 8.405 11.196 -5.264 1.00 0.00 C ATOM 1528 O THR A 130 7.208 11.308 -4.995 1.00 0.00 O ATOM 1529 CB THR A 130 9.573 12.764 -6.814 1.00 0.00 C ATOM 1530 OG1 THR A 130 8.721 13.771 -6.256 1.00 0.00 O ATOM 1531 CG2 THR A 130 9.871 13.094 -8.268 1.00 0.00 C ATOM 0 H THR A 130 6.941 11.659 -7.370 1.00 0.00 H new ATOM 0 HA THR A 130 9.640 10.609 -6.918 1.00 0.00 H new ATOM 0 HB THR A 130 10.514 12.739 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.153 14.647 -6.336 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.342 14.075 -8.329 1.00 0.00 H new ATOM 0 HG22 THR A 130 10.543 12.342 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.941 13.102 -8.837 1.00 0.00 H new ATOM 1539 N SER A 131 9.328 10.913 -4.350 1.00 0.00 N ATOM 1540 CA SER A 131 8.978 10.709 -2.949 1.00 0.00 C ATOM 1541 C SER A 131 9.952 11.446 -2.033 1.00 0.00 C ATOM 1542 O SER A 131 10.760 10.828 -1.341 1.00 0.00 O ATOM 1543 CB SER A 131 8.976 9.217 -2.613 1.00 0.00 C ATOM 1544 OG SER A 131 8.137 8.944 -1.504 1.00 0.00 O ATOM 0 H SER A 131 10.323 10.820 -4.554 1.00 0.00 H new ATOM 0 HA SER A 131 7.978 11.112 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.637 8.647 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.992 8.889 -2.393 1.00 0.00 H new ATOM 0 HG SER A 131 8.374 9.537 -0.761 1.00 0.00 H new ATOM 1549 N VAL A 132 9.867 12.773 -2.035 1.00 0.00 N ATOM 1550 CA VAL A 132 10.739 13.596 -1.205 1.00 0.00 C ATOM 1551 C VAL A 132 10.717 13.128 0.245 1.00 0.00 C ATOM 1552 O VAL A 132 11.705 13.267 0.970 1.00 0.00 O ATOM 1553 CB VAL A 132 10.330 15.080 -1.261 1.00 0.00 C ATOM 1554 CG1 VAL A 132 11.308 15.933 -0.468 1.00 0.00 C ATOM 1555 CG2 VAL A 132 10.244 15.554 -2.704 1.00 0.00 C ATOM 0 H VAL A 132 9.203 13.301 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 132 11.748 13.490 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 132 9.344 15.185 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 132 11.003 16.978 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 132 11.315 15.607 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 132 12.308 15.826 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 132 9.954 16.604 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 132 11.215 15.436 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 132 9.501 14.962 -3.238 1.00 0.00 H new ATOM 1565 N THR A 133 9.586 12.573 0.666 1.00 0.00 N ATOM 1566 CA THR A 133 9.436 12.085 2.031 1.00 0.00 C ATOM 1567 C THR A 133 9.021 10.618 2.048 1.00 0.00 C ATOM 1568 O THR A 133 7.947 10.261 1.563 1.00 0.00 O ATOM 1569 CB THR A 133 8.394 12.910 2.811 1.00 0.00 C ATOM 1570 OG1 THR A 133 8.090 12.266 4.053 1.00 0.00 O ATOM 1571 CG2 THR A 133 7.120 13.081 1.998 1.00 0.00 C ATOM 0 H THR A 133 8.760 12.450 0.081 1.00 0.00 H new ATOM 0 HA THR A 133 10.408 12.191 2.513 1.00 0.00 H new ATOM 0 HB THR A 133 8.816 13.896 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.428 12.797 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.400 13.667 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.350 13.597 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.696 12.102 1.775 1.00 0.00 H new ATOM 1579 N ASP A 134 9.878 9.772 2.610 1.00 0.00 N ATOM 1580 CA ASP A 134 9.600 8.343 2.691 1.00 0.00 C ATOM 1581 C ASP A 134 8.984 7.986 4.041 1.00 0.00 C ATOM 1582 O ASP A 134 8.771 8.854 4.888 1.00 0.00 O ATOM 1583 CB ASP A 134 10.881 7.538 2.473 1.00 0.00 C ATOM 1584 CG ASP A 134 11.437 7.704 1.071 1.00 0.00 C ATOM 1585 OD1 ASP A 134 10.699 7.421 0.104 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.608 8.117 0.942 1.00 0.00 O ATOM 0 H ASP A 134 10.771 10.051 3.016 1.00 0.00 H new ATOM 0 HA ASP A 134 8.886 8.092 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.632 7.852 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.680 6.483 2.659 1.00 0.00 H new ATOM 1590 N LEU A 135 8.700 6.702 4.234 1.00 0.00 N ATOM 1591 CA LEU A 135 8.109 6.229 5.481 1.00 0.00 C ATOM 1592 C LEU A 135 8.858 6.788 6.686 1.00 0.00 C ATOM 1593 O LEU A 135 10.062 7.046 6.635 1.00 0.00 O ATOM 1594 CB LEU A 135 8.117 4.701 5.524 1.00 0.00 C ATOM 1595 CG LEU A 135 9.329 4.018 4.887 1.00 0.00 C ATOM 1596 CD1 LEU A 135 10.603 4.392 5.627 1.00 0.00 C ATOM 1597 CD2 LEU A 135 9.143 2.507 4.874 1.00 0.00 C ATOM 0 H LEU A 135 8.869 5.971 3.543 1.00 0.00 H new ATOM 0 HA LEU A 135 7.079 6.582 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.054 4.386 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.218 4.339 5.026 1.00 0.00 H new ATOM 0 HG LEU A 135 9.417 4.363 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 135 11.454 3.897 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.744 5.472 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 135 10.526 4.076 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.014 2.037 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 135 9.030 2.146 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 135 8.252 2.255 4.299 1.00 0.00 H new ATOM 1608 N PRO A 136 8.133 6.979 7.798 1.00 0.00 N ATOM 1609 CA PRO A 136 8.710 7.505 9.039 1.00 0.00 C ATOM 1610 C PRO A 136 9.654 6.512 9.706 1.00 0.00 C ATOM 1611 O PRO A 136 9.303 5.882 10.704 1.00 0.00 O ATOM 1612 CB PRO A 136 7.484 7.754 9.922 1.00 0.00 C ATOM 1613 CG PRO A 136 6.451 6.811 9.409 1.00 0.00 C ATOM 1614 CD PRO A 136 6.694 6.693 7.931 1.00 0.00 C ATOM 0 HA PRO A 136 9.314 8.395 8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 136 7.707 7.564 10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 136 7.147 8.788 9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 136 6.533 5.840 9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 136 5.447 7.185 9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 136 6.446 5.698 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 136 6.089 7.403 7.366 1.00 0.00 H new ATOM 1708 N THR A 144 9.811 -4.786 3.999 1.00 0.00 N ATOM 1709 CA THR A 144 10.459 -4.060 2.916 1.00 0.00 C ATOM 1710 C THR A 144 9.439 -3.309 2.069 1.00 0.00 C ATOM 1711 O THR A 144 8.241 -3.589 2.129 1.00 0.00 O ATOM 1712 CB THR A 144 11.265 -5.008 2.007 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.833 -6.067 2.785 1.00 0.00 O ATOM 1714 CG2 THR A 144 12.368 -4.255 1.281 1.00 0.00 C ATOM 0 HA THR A 144 11.140 -3.345 3.379 1.00 0.00 H new ATOM 0 HB THR A 144 10.586 -5.428 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 144 11.296 -6.203 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.923 -4.946 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.929 -3.470 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.045 -3.809 2.010 1.00 0.00 H new ATOM 1722 N ILE A 145 9.919 -2.352 1.282 1.00 0.00 N ATOM 1723 CA ILE A 145 9.047 -1.561 0.421 1.00 0.00 C ATOM 1724 C ILE A 145 9.770 -1.134 -0.851 1.00 0.00 C ATOM 1725 O ILE A 145 10.953 -0.793 -0.823 1.00 0.00 O ATOM 1726 CB ILE A 145 8.526 -0.308 1.148 1.00 0.00 C ATOM 1727 CG1 ILE A 145 7.601 0.493 0.230 1.00 0.00 C ATOM 1728 CG2 ILE A 145 9.689 0.553 1.618 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.303 1.609 -0.511 1.00 0.00 C ATOM 0 H ILE A 145 10.907 -2.105 1.223 1.00 0.00 H new ATOM 0 HA ILE A 145 8.201 -2.197 0.158 1.00 0.00 H new ATOM 0 HB ILE A 145 7.956 -0.623 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 145 7.147 -0.183 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 145 6.790 0.916 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 145 9.305 1.435 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 145 10.313 -0.021 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 145 10.283 0.863 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.586 2.134 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.734 2.307 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 145 9.096 1.191 -1.132 1.00 0.00 H new ATOM 1740 N THR A 146 9.051 -1.154 -1.969 1.00 0.00 N ATOM 1741 CA THR A 146 9.623 -0.768 -3.253 1.00 0.00 C ATOM 1742 C THR A 146 8.860 0.399 -3.867 1.00 0.00 C ATOM 1743 O THR A 146 7.783 0.219 -4.435 1.00 0.00 O ATOM 1744 CB THR A 146 9.621 -1.946 -4.246 1.00 0.00 C ATOM 1745 OG1 THR A 146 8.281 -2.396 -4.470 1.00 0.00 O ATOM 1746 CG2 THR A 146 10.467 -3.097 -3.721 1.00 0.00 C ATOM 0 H THR A 146 8.071 -1.434 -2.011 1.00 0.00 H new ATOM 0 HA THR A 146 10.652 -0.465 -3.061 1.00 0.00 H new ATOM 0 HB THR A 146 10.049 -1.600 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 146 7.953 -2.858 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.451 -3.917 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.494 -2.759 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.063 -3.440 -2.768 1.00 0.00 H new ATOM 1754 N ILE A 147 9.425 1.597 -3.748 1.00 0.00 N ATOM 1755 CA ILE A 147 8.797 2.794 -4.293 1.00 0.00 C ATOM 1756 C ILE A 147 9.539 3.290 -5.531 1.00 0.00 C ATOM 1757 O ILE A 147 10.725 3.010 -5.709 1.00 0.00 O ATOM 1758 CB ILE A 147 8.745 3.927 -3.252 1.00 0.00 C ATOM 1759 CG1 ILE A 147 7.812 5.043 -3.726 1.00 0.00 C ATOM 1760 CG2 ILE A 147 10.143 4.471 -2.993 1.00 0.00 C ATOM 1761 CD1 ILE A 147 7.247 5.877 -2.599 1.00 0.00 C ATOM 0 H ILE A 147 10.316 1.764 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 147 7.779 2.518 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 147 8.353 3.525 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.356 5.693 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 147 6.989 4.603 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.091 5.271 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 147 10.781 3.671 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.560 4.860 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 147 6.595 6.648 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 147 6.675 5.239 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 147 8.063 6.346 -2.049 1.00 0.00 H new ATOM 1772 N VAL A 148 8.833 4.027 -6.382 1.00 0.00 N ATOM 1773 CA VAL A 148 9.425 4.564 -7.601 1.00 0.00 C ATOM 1774 C VAL A 148 10.265 5.800 -7.305 1.00 0.00 C ATOM 1775 O VAL A 148 9.792 6.752 -6.685 1.00 0.00 O ATOM 1776 CB VAL A 148 8.345 4.926 -8.637 1.00 0.00 C ATOM 1777 CG1 VAL A 148 8.979 5.245 -9.983 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.334 3.797 -8.770 1.00 0.00 C ATOM 0 H VAL A 148 7.850 4.266 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 148 10.065 3.784 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 148 7.819 5.816 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 148 8.199 5.498 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 148 9.660 6.089 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 148 9.533 4.376 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.578 4.070 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 148 7.843 2.889 -9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.855 3.622 -7.807 1.00 0.00 H new