USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 810 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 14 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 20 THR OG1 : rot -150:sc= -1.03 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 37 ASN : amide:sc= -0.0641 K(o=-0.064,f=-2!) USER MOD Single : A 41 MET CE :methyl -139:sc= -1.78! (180deg=-4.67!) USER MOD Single : A 42 THR OG1 : rot -140:sc= -1.68 USER MOD Single : A 51 SER OG : rot -60:sc= -1.34 USER MOD Single : A 52 HIS :FLIP no HE2:sc= -6.22! C(o=-7.6!,f=-6.2!) USER MOD Single : A 55 ASN : amide:sc= -8.15! C(o=-8.1!,f=-23!) USER MOD Single : A 57 THR OG1 : rot -33:sc= 0.00187 USER MOD Single : A 58 TYR OH : rot -23:sc= 1.44 USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= 0.332 (180deg=-0.0981) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.02 F(o=-2.9,f=-1) USER MOD Single : A 69 SER OG : rot -50:sc= -0.576 USER MOD Single : A 74 CYS SG : rot 53:sc= -0.269 USER MOD Single : A 89 CYS SG : rot 160:sc= -0.172 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.385 F(o=-1.7,f=-0.38) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 143:sc= -3.29! (180deg=-5.84!) USER MOD Single : A 107 HIS : no HD1:sc= -8.25! C(o=-8.3!,f=-12!) USER MOD Single : A 110 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.027) USER MOD Single : A 111 MET CE :methyl 142:sc= -10.9! (180deg=-16.9!) USER MOD Single : A 114 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-4.6!) USER MOD Single : A 116 SER OG : rot 118:sc= -0.0179 USER MOD Single : A 118 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.23) USER MOD Single : A 122 TYR OH : rot -102:sc= 0.154 USER MOD Single : A 124 HIS :FLIP no HD1:sc= -6.8! C(o=-8!,f=-6.8!) USER MOD Single : A 133 MET CE :methyl 180:sc= -0.196 (180deg=-0.196) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 139 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.14) USER MOD Single : A 141 MET CE :methyl -141:sc= -11.3! (180deg=-12.8!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.199 7.484 -14.353 1.00 1.94 N ATOM 2 CA SER A 3 4.739 7.424 -14.081 1.00 1.63 C ATOM 3 C SER A 3 4.418 6.385 -13.012 1.00 1.31 C ATOM 4 O SER A 3 4.183 5.213 -13.316 1.00 1.66 O ATOM 5 CB SER A 3 4.013 7.083 -15.385 1.00 1.81 C ATOM 6 OG SER A 3 3.446 8.242 -15.971 1.00 2.13 O ATOM 0 HA SER A 3 4.406 8.392 -13.707 1.00 1.63 H new ATOM 0 HB2 SER A 3 4.711 6.623 -16.084 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.230 6.351 -15.188 1.00 1.81 H new ATOM 0 HG SER A 3 2.990 7.998 -16.803 1.00 2.13 H new ATOM 12 N VAL A 4 4.411 6.818 -11.758 1.00 1.30 N ATOM 13 CA VAL A 4 4.119 5.923 -10.649 1.00 1.06 C ATOM 14 C VAL A 4 2.627 5.630 -10.573 1.00 0.93 C ATOM 15 O VAL A 4 1.879 6.324 -9.883 1.00 1.44 O ATOM 16 CB VAL A 4 4.597 6.516 -9.306 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.036 7.917 -9.105 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.219 5.609 -8.142 1.00 2.29 C ATOM 0 H VAL A 4 4.604 7.782 -11.485 1.00 1.30 H new ATOM 0 HA VAL A 4 4.660 4.994 -10.830 1.00 1.06 H new ATOM 0 HB VAL A 4 5.684 6.586 -9.337 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.385 8.316 -8.153 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.374 8.564 -9.915 1.00 1.82 H new ATOM 0 HG13 VAL A 4 2.947 7.876 -9.103 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.568 6.051 -7.208 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.136 5.495 -8.107 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.683 4.632 -8.277 1.00 2.29 H new ATOM 22 N LEU A 5 2.202 4.595 -11.286 1.00 0.94 N ATOM 23 CA LEU A 5 0.801 4.203 -11.298 1.00 1.34 C ATOM 24 C LEU A 5 0.423 3.549 -9.977 1.00 1.09 C ATOM 25 O LEU A 5 1.164 2.722 -9.450 1.00 1.34 O ATOM 26 CB LEU A 5 0.526 3.243 -12.456 1.00 2.05 C ATOM 27 CG LEU A 5 -0.903 3.276 -12.999 1.00 2.97 C ATOM 28 CD1 LEU A 5 -1.023 4.295 -14.121 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.322 1.895 -13.482 1.00 3.33 C ATOM 0 H LEU A 5 2.808 4.012 -11.863 1.00 0.94 H new ATOM 0 HA LEU A 5 0.194 5.098 -11.433 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.213 3.474 -13.270 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.750 2.228 -12.128 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.572 3.574 -12.192 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -2.047 4.305 -14.496 1.00 3.92 H new ATOM 0 HD12 LEU A 5 -0.765 5.284 -13.743 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.343 4.027 -14.930 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.342 1.937 -13.865 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.650 1.567 -14.275 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.275 1.190 -12.652 1.00 3.33 H new ATOM 35 N VAL A 6 -0.731 3.922 -9.442 1.00 0.88 N ATOM 36 CA VAL A 6 -1.191 3.361 -8.184 1.00 0.75 C ATOM 37 C VAL A 6 -2.707 3.256 -8.153 1.00 0.75 C ATOM 38 O VAL A 6 -3.405 4.008 -8.835 1.00 1.03 O ATOM 39 CB VAL A 6 -0.720 4.198 -6.982 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.795 4.150 -6.863 1.00 1.26 C ATOM 41 CG2 VAL A 6 -1.206 5.634 -7.108 1.00 1.02 C ATOM 0 H VAL A 6 -1.362 4.607 -9.858 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.757 2.364 -8.109 1.00 0.75 H new ATOM 0 HB VAL A 6 -1.148 3.773 -6.074 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.112 4.747 -6.008 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.117 3.118 -6.724 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.244 4.551 -7.772 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.863 6.211 -6.249 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.808 6.074 -8.023 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -2.295 5.648 -7.143 1.00 1.02 H new ATOM 45 N ASP A 7 -3.214 2.320 -7.362 1.00 0.72 N ATOM 46 CA ASP A 7 -4.654 2.126 -7.253 1.00 0.83 C ATOM 47 C ASP A 7 -5.078 1.949 -5.799 1.00 0.75 C ATOM 48 O ASP A 7 -5.381 0.840 -5.360 1.00 0.99 O ATOM 49 CB ASP A 7 -5.091 0.917 -8.084 1.00 1.02 C ATOM 50 CG ASP A 7 -5.949 1.312 -9.270 1.00 1.78 C ATOM 51 OD1 ASP A 7 -7.142 1.618 -9.063 1.00 2.52 O ATOM 52 OD2 ASP A 7 -5.428 1.314 -10.405 1.00 2.33 O ATOM 0 H ASP A 7 -2.655 1.687 -6.790 1.00 0.72 H new ATOM 0 HA ASP A 7 -5.145 3.019 -7.641 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.208 0.385 -8.439 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.647 0.226 -7.451 1.00 1.02 H new ATOM 57 N LEU A 8 -5.113 3.053 -5.062 1.00 0.63 N ATOM 58 CA LEU A 8 -5.517 3.020 -3.664 1.00 0.74 C ATOM 59 C LEU A 8 -6.993 3.376 -3.544 1.00 0.59 C ATOM 60 O LEU A 8 -7.443 4.378 -4.101 1.00 0.79 O ATOM 61 CB LEU A 8 -4.659 3.977 -2.828 1.00 1.20 C ATOM 62 CG LEU A 8 -5.172 5.416 -2.732 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.234 5.536 -1.650 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.019 6.365 -2.456 1.00 1.52 C ATOM 0 H LEU A 8 -4.867 3.980 -5.410 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.366 2.012 -3.279 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -4.574 3.573 -1.819 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -3.654 3.996 -3.249 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.626 5.687 -3.685 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -6.586 6.566 -1.598 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.071 4.879 -1.887 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -5.808 5.249 -0.689 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.396 7.386 -2.390 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.541 6.093 -1.515 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.291 6.299 -3.265 1.00 1.52 H new ATOM 70 N GLN A 9 -7.750 2.554 -2.827 1.00 0.65 N ATOM 71 CA GLN A 9 -9.176 2.807 -2.665 1.00 0.80 C ATOM 72 C GLN A 9 -9.698 2.315 -1.319 1.00 0.79 C ATOM 73 O GLN A 9 -9.093 1.457 -0.670 1.00 0.81 O ATOM 74 CB GLN A 9 -9.966 2.153 -3.800 1.00 1.03 C ATOM 75 CG GLN A 9 -9.543 0.723 -4.094 1.00 1.27 C ATOM 76 CD GLN A 9 -9.293 0.480 -5.570 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.047 0.946 -6.424 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.229 -0.252 -5.877 1.00 2.59 N ATOM 0 H GLN A 9 -7.406 1.718 -2.355 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.316 3.887 -2.699 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.026 2.164 -3.546 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.848 2.750 -4.704 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.637 0.494 -3.533 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.316 0.040 -3.743 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.631 -0.618 -5.136 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.009 -0.448 -6.854 1.00 2.59 H new ATOM 85 N ILE A 10 -10.836 2.871 -0.917 1.00 0.83 N ATOM 86 CA ILE A 10 -11.473 2.513 0.340 1.00 0.86 C ATOM 87 C ILE A 10 -12.729 1.678 0.083 1.00 1.02 C ATOM 88 O ILE A 10 -13.320 1.755 -0.993 1.00 1.23 O ATOM 89 CB ILE A 10 -11.834 3.783 1.153 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.622 3.539 2.652 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.264 4.233 0.865 1.00 1.28 C ATOM 92 CD1 ILE A 10 -12.359 4.515 3.545 1.00 1.19 C ATOM 0 H ILE A 10 -11.339 3.579 -1.452 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.768 1.918 0.922 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.168 4.588 0.842 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -11.944 2.526 2.894 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.556 3.595 2.872 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.489 5.125 1.449 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.368 4.458 -0.196 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.958 3.437 1.137 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.158 4.276 4.589 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.020 5.529 3.333 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -13.430 4.444 3.356 1.00 1.19 H new ATOM 96 N ALA A 11 -13.132 0.883 1.069 1.00 0.97 N ATOM 97 CA ALA A 11 -14.318 0.045 0.923 1.00 1.15 C ATOM 98 C ALA A 11 -15.083 -0.082 2.238 1.00 1.15 C ATOM 99 O ALA A 11 -15.872 -1.010 2.417 1.00 1.32 O ATOM 100 CB ALA A 11 -13.930 -1.329 0.396 1.00 1.30 C ATOM 0 H ALA A 11 -12.660 0.801 1.970 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.980 0.527 0.204 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.824 -1.944 0.292 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.447 -1.223 -0.575 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.241 -1.805 1.094 1.00 1.30 H new ATOM 106 N THR A 12 -14.853 0.856 3.151 1.00 1.10 N ATOM 107 CA THR A 12 -15.531 0.843 4.443 1.00 1.29 C ATOM 108 C THR A 12 -16.716 1.804 4.437 1.00 1.72 C ATOM 109 O THR A 12 -16.856 2.625 3.530 1.00 2.07 O ATOM 110 CB THR A 12 -14.557 1.215 5.561 1.00 1.15 C ATOM 111 OG1 THR A 12 -15.239 1.354 6.795 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.814 2.507 5.301 1.00 1.29 C ATOM 0 H THR A 12 -14.205 1.633 3.021 1.00 1.10 H new ATOM 0 HA THR A 12 -15.903 -0.166 4.624 1.00 1.29 H new ATOM 0 HB THR A 12 -13.835 0.399 5.598 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.598 1.591 7.498 1.00 1.78 H new ATOM 0 HG21 THR A 12 -13.140 2.713 6.132 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.238 2.416 4.380 1.00 1.29 H new ATOM 0 HG23 THR A 12 -14.529 3.324 5.203 1.00 1.29 H new ATOM 117 N GLU A 13 -17.569 1.696 5.451 1.00 2.10 N ATOM 118 CA GLU A 13 -18.744 2.555 5.553 1.00 2.62 C ATOM 119 C GLU A 13 -18.564 3.613 6.639 1.00 2.49 C ATOM 120 O GLU A 13 -19.107 4.713 6.541 1.00 2.85 O ATOM 121 CB GLU A 13 -19.992 1.716 5.843 1.00 3.24 C ATOM 122 CG GLU A 13 -20.940 1.610 4.660 1.00 3.89 C ATOM 123 CD GLU A 13 -22.166 0.772 4.969 1.00 4.72 C ATOM 124 OE1 GLU A 13 -22.102 -0.050 5.906 1.00 5.27 O ATOM 125 OE2 GLU A 13 -23.189 0.939 4.273 1.00 5.17 O ATOM 0 H GLU A 13 -17.469 1.024 6.212 1.00 2.10 H new ATOM 0 HA GLU A 13 -18.869 3.065 4.598 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.685 0.714 6.143 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.525 2.152 6.688 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.254 2.610 4.360 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.411 1.174 3.813 1.00 3.89 H new ATOM 132 N ASN A 14 -17.804 3.273 7.675 1.00 2.26 N ATOM 133 CA ASN A 14 -17.564 4.198 8.777 1.00 2.51 C ATOM 134 C ASN A 14 -16.132 4.723 8.758 1.00 1.99 C ATOM 135 O ASN A 14 -15.179 3.961 8.923 1.00 1.78 O ATOM 136 CB ASN A 14 -17.845 3.515 10.115 1.00 3.10 C ATOM 137 CG ASN A 14 -19.238 2.920 10.180 1.00 3.79 C ATOM 138 OD1 ASN A 14 -19.408 1.737 10.478 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.246 3.738 9.899 1.00 4.18 N ATOM 0 H ASN A 14 -17.345 2.367 7.775 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.241 5.043 8.654 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -17.109 2.728 10.280 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -17.724 4.238 10.921 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -21.205 3.393 9.925 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -20.061 4.711 9.657 1.00 4.18 H new ATOM 144 N ILE A 15 -15.991 6.030 8.563 1.00 2.45 N ATOM 145 CA ILE A 15 -14.679 6.664 8.532 1.00 2.24 C ATOM 146 C ILE A 15 -14.746 8.087 9.072 1.00 1.60 C ATOM 147 O ILE A 15 -15.780 8.749 8.980 1.00 1.92 O ATOM 148 CB ILE A 15 -14.097 6.709 7.104 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.275 5.362 6.402 1.00 2.89 C ATOM 150 CG2 ILE A 15 -12.626 7.092 7.150 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.661 5.161 5.826 1.00 3.61 C ATOM 0 H ILE A 15 -16.772 6.672 8.424 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.029 6.058 9.163 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.640 7.463 6.534 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.541 5.279 5.600 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -14.065 4.561 7.111 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.226 7.121 6.137 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.520 8.075 7.610 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -12.076 6.356 7.737 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.716 4.185 5.343 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.399 5.212 6.627 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.867 5.941 5.093 1.00 3.61 H new ATOM 155 N GLU A 16 -13.633 8.557 9.627 1.00 1.45 N ATOM 156 CA GLU A 16 -13.561 9.907 10.170 1.00 1.67 C ATOM 157 C GLU A 16 -12.915 10.852 9.160 1.00 1.94 C ATOM 158 O GLU A 16 -12.243 11.814 9.530 1.00 2.67 O ATOM 159 CB GLU A 16 -12.770 9.914 11.480 1.00 2.11 C ATOM 160 CG GLU A 16 -13.612 10.267 12.697 1.00 3.11 C ATOM 161 CD GLU A 16 -13.046 11.439 13.477 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.038 11.247 14.188 1.00 4.13 O ATOM 163 OE2 GLU A 16 -13.612 12.547 13.375 1.00 4.53 O ATOM 0 H GLU A 16 -12.769 8.022 9.712 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.575 10.252 10.373 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.323 8.931 11.630 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -11.950 10.628 11.396 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -14.626 10.505 12.376 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -13.680 9.398 13.352 1.00 3.11 H new ATOM 170 N GLY A 17 -13.122 10.559 7.880 1.00 1.95 N ATOM 171 CA GLY A 17 -12.555 11.376 6.824 1.00 2.86 C ATOM 172 C GLY A 17 -12.116 10.542 5.637 1.00 2.74 C ATOM 173 O GLY A 17 -10.970 10.094 5.576 1.00 3.16 O ATOM 0 H GLY A 17 -13.675 9.766 7.555 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.291 12.111 6.499 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.701 11.931 7.213 1.00 2.86 H new ATOM 177 N LEU A 18 -13.032 10.328 4.692 1.00 2.64 N ATOM 178 CA LEU A 18 -12.742 9.534 3.498 1.00 2.63 C ATOM 179 C LEU A 18 -11.380 9.899 2.906 1.00 2.01 C ATOM 180 O LEU A 18 -11.058 11.077 2.750 1.00 2.22 O ATOM 181 CB LEU A 18 -13.835 9.742 2.448 1.00 3.46 C ATOM 182 CG LEU A 18 -14.000 11.186 1.964 1.00 3.97 C ATOM 183 CD1 LEU A 18 -13.459 11.342 0.551 1.00 4.46 C ATOM 184 CD2 LEU A 18 -15.461 11.606 2.027 1.00 4.91 C ATOM 0 H LEU A 18 -13.983 10.694 4.731 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.717 8.485 3.792 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.617 9.109 1.588 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.785 9.402 2.861 1.00 3.46 H new ATOM 0 HG LEU A 18 -13.426 11.837 2.624 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -13.585 12.374 0.225 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -12.400 11.084 0.536 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.003 10.680 -0.122 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -15.559 12.634 1.680 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -16.056 10.950 1.392 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -15.816 11.535 3.055 1.00 4.91 H new ATOM 190 N PRO A 19 -10.558 8.890 2.572 1.00 1.58 N ATOM 191 CA PRO A 19 -9.229 9.107 2.002 1.00 1.46 C ATOM 192 C PRO A 19 -9.276 9.372 0.500 1.00 1.48 C ATOM 193 O PRO A 19 -9.804 8.565 -0.266 1.00 2.32 O ATOM 194 CB PRO A 19 -8.526 7.785 2.295 1.00 1.63 C ATOM 195 CG PRO A 19 -9.611 6.769 2.220 1.00 1.84 C ATOM 196 CD PRO A 19 -10.857 7.450 2.726 1.00 1.84 C ATOM 0 HA PRO A 19 -8.731 9.982 2.420 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.740 7.582 1.568 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.056 7.794 3.278 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.747 6.418 1.197 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.370 5.896 2.827 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.735 7.159 2.148 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.060 7.192 3.765 1.00 1.84 H new ATOM 204 N THR A 20 -8.723 10.506 0.086 1.00 1.19 N ATOM 205 CA THR A 20 -8.703 10.876 -1.325 1.00 1.25 C ATOM 206 C THR A 20 -7.406 10.419 -1.986 1.00 1.21 C ATOM 207 O THR A 20 -6.314 10.690 -1.488 1.00 1.19 O ATOM 208 CB THR A 20 -8.867 12.388 -1.482 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.882 13.080 -0.735 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.222 12.892 -1.034 1.00 2.03 C ATOM 0 H THR A 20 -8.283 11.185 0.707 1.00 1.19 H new ATOM 0 HA THR A 20 -9.537 10.377 -1.818 1.00 1.25 H new ATOM 0 HB THR A 20 -8.760 12.581 -2.549 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.239 13.946 -0.446 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.272 13.972 -1.172 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.002 12.414 -1.626 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.369 12.654 0.019 1.00 2.03 H new ATOM 215 N GLU A 21 -7.536 9.720 -3.110 1.00 1.30 N ATOM 216 CA GLU A 21 -6.375 9.220 -3.839 1.00 1.28 C ATOM 217 C GLU A 21 -5.460 10.361 -4.271 1.00 1.19 C ATOM 218 O GLU A 21 -4.246 10.290 -4.095 1.00 1.10 O ATOM 219 CB GLU A 21 -6.816 8.413 -5.059 1.00 1.44 C ATOM 220 CG GLU A 21 -7.915 9.079 -5.872 1.00 1.56 C ATOM 221 CD GLU A 21 -9.105 8.168 -6.104 1.00 1.94 C ATOM 222 OE1 GLU A 21 -9.353 7.288 -5.254 1.00 2.54 O ATOM 223 OE2 GLU A 21 -9.788 8.334 -7.136 1.00 2.04 O ATOM 0 H GLU A 21 -8.433 9.487 -3.535 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.815 8.570 -3.166 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.953 8.244 -5.703 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.164 7.434 -4.729 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.247 9.980 -5.356 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.510 9.393 -6.834 1.00 1.56 H new ATOM 230 N GLU A 22 -6.044 11.412 -4.837 1.00 1.24 N ATOM 231 CA GLU A 22 -5.262 12.560 -5.291 1.00 1.18 C ATOM 232 C GLU A 22 -4.288 13.020 -4.209 1.00 1.05 C ATOM 233 O GLU A 22 -3.081 13.112 -4.443 1.00 0.99 O ATOM 234 CB GLU A 22 -6.192 13.713 -5.682 1.00 1.26 C ATOM 235 CG GLU A 22 -6.292 13.933 -7.182 1.00 1.93 C ATOM 236 CD GLU A 22 -7.704 14.247 -7.632 1.00 2.47 C ATOM 237 OE1 GLU A 22 -8.277 15.243 -7.140 1.00 3.23 O ATOM 238 OE2 GLU A 22 -8.239 13.499 -8.477 1.00 2.76 O ATOM 0 H GLU A 22 -7.049 11.494 -4.992 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.686 12.253 -6.164 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -7.188 13.516 -5.285 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.837 14.630 -5.212 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.632 14.751 -7.470 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.939 13.042 -7.701 1.00 1.93 H new ATOM 245 N GLN A 23 -4.820 13.294 -3.022 1.00 1.02 N ATOM 246 CA GLN A 23 -4.001 13.736 -1.901 1.00 0.93 C ATOM 247 C GLN A 23 -2.960 12.683 -1.543 1.00 0.82 C ATOM 248 O GLN A 23 -1.762 12.897 -1.718 1.00 0.77 O ATOM 249 CB GLN A 23 -4.880 14.031 -0.683 1.00 0.99 C ATOM 250 CG GLN A 23 -5.513 15.413 -0.708 1.00 0.97 C ATOM 251 CD GLN A 23 -4.856 16.374 0.264 1.00 1.14 C ATOM 252 OE1 GLN A 23 -3.766 16.885 0.007 1.00 2.08 O ATOM 253 NE2 GLN A 23 -5.517 16.623 1.388 1.00 1.09 N ATOM 0 H GLN A 23 -5.815 13.217 -2.812 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.485 14.649 -2.198 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.668 13.281 -0.624 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.279 13.933 0.221 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -5.447 15.821 -1.717 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -6.573 15.327 -0.468 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -6.418 16.177 1.559 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -5.124 17.261 2.080 1.00 1.09 H new ATOM 260 N ILE A 24 -3.426 11.543 -1.042 1.00 0.83 N ATOM 261 CA ILE A 24 -2.540 10.449 -0.657 1.00 0.74 C ATOM 262 C ILE A 24 -1.549 10.117 -1.772 1.00 0.69 C ATOM 263 O ILE A 24 -0.336 10.250 -1.601 1.00 0.67 O ATOM 264 CB ILE A 24 -3.341 9.177 -0.304 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.373 9.482 0.783 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.403 8.064 0.146 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.183 8.275 1.205 1.00 1.43 C ATOM 0 H ILE A 24 -4.417 11.352 -0.893 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.991 10.784 0.223 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.869 8.841 -1.197 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.861 9.888 1.655 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.051 10.256 0.422 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.984 7.175 0.391 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.704 7.831 -0.657 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.849 8.389 1.027 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -5.894 8.566 1.978 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.724 7.881 0.345 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.515 7.508 1.597 1.00 1.43 H new ATOM 271 N VAL A 25 -2.080 9.682 -2.911 1.00 0.77 N ATOM 272 CA VAL A 25 -1.253 9.324 -4.060 1.00 0.77 C ATOM 273 C VAL A 25 -0.230 10.415 -4.369 1.00 0.74 C ATOM 274 O VAL A 25 0.974 10.166 -4.352 1.00 0.73 O ATOM 275 CB VAL A 25 -2.111 9.066 -5.317 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.233 8.690 -6.500 1.00 0.85 C ATOM 277 CG2 VAL A 25 -3.142 7.979 -5.051 1.00 1.45 C ATOM 0 H VAL A 25 -3.082 9.569 -3.063 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.729 8.406 -3.794 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.639 9.987 -5.562 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.858 8.513 -7.375 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.537 9.503 -6.710 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.673 7.785 -6.264 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.736 7.813 -5.950 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.634 7.055 -4.776 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.796 8.289 -4.236 1.00 1.45 H new ATOM 281 N GLN A 26 -0.714 11.620 -4.656 1.00 0.76 N ATOM 282 CA GLN A 26 0.169 12.738 -4.973 1.00 0.77 C ATOM 283 C GLN A 26 1.155 13.002 -3.839 1.00 0.72 C ATOM 284 O GLN A 26 2.363 13.079 -4.055 1.00 0.71 O ATOM 285 CB GLN A 26 -0.650 14.000 -5.254 1.00 0.85 C ATOM 286 CG GLN A 26 0.189 15.176 -5.726 1.00 0.94 C ATOM 287 CD GLN A 26 -0.401 16.513 -5.317 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.584 16.774 -5.535 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.424 17.366 -4.721 1.00 2.19 N ATOM 0 H GLN A 26 -1.708 11.847 -4.676 1.00 0.76 H new ATOM 0 HA GLN A 26 0.736 12.472 -5.865 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.402 13.774 -6.010 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -1.184 14.286 -4.348 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.196 15.087 -5.318 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.281 15.140 -6.812 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.397 17.107 -4.561 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.084 18.281 -4.423 1.00 2.19 H new ATOM 296 N TRP A 27 0.635 13.145 -2.628 1.00 0.74 N ATOM 297 CA TRP A 27 1.474 13.406 -1.465 1.00 0.76 C ATOM 298 C TRP A 27 2.619 12.396 -1.371 1.00 0.69 C ATOM 299 O TRP A 27 3.794 12.764 -1.436 1.00 0.67 O ATOM 300 CB TRP A 27 0.611 13.368 -0.195 1.00 0.92 C ATOM 301 CG TRP A 27 1.363 13.057 1.066 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.447 11.844 1.686 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.125 13.970 1.863 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.215 11.947 2.820 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.644 13.242 2.951 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.421 15.334 1.763 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.439 13.830 3.930 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.211 15.915 2.737 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.712 15.164 3.808 1.00 0.87 C ATOM 0 H TRP A 27 -0.363 13.085 -2.425 1.00 0.74 H new ATOM 0 HA TRP A 27 1.919 14.395 -1.569 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.117 14.333 -0.079 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.173 12.623 -0.327 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.978 10.936 1.336 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.431 11.183 3.461 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.040 15.921 0.941 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.827 13.253 4.757 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.446 16.967 2.671 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.326 15.649 4.552 1.00 0.87 H new ATOM 320 N ALA A 28 2.273 11.123 -1.221 1.00 0.70 N ATOM 321 CA ALA A 28 3.278 10.074 -1.110 1.00 0.72 C ATOM 322 C ALA A 28 3.823 9.656 -2.473 1.00 0.68 C ATOM 323 O ALA A 28 4.940 10.019 -2.846 1.00 0.73 O ATOM 324 CB ALA A 28 2.698 8.872 -0.379 1.00 0.78 C ATOM 0 H ALA A 28 1.309 10.794 -1.174 1.00 0.70 H new ATOM 0 HA ALA A 28 4.114 10.477 -0.538 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.456 8.093 -0.301 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.381 9.172 0.620 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.840 8.489 -0.932 1.00 0.78 H new ATOM 330 N THR A 29 3.040 8.870 -3.201 1.00 0.63 N ATOM 331 CA THR A 29 3.454 8.378 -4.511 1.00 0.67 C ATOM 332 C THR A 29 3.780 9.512 -5.484 1.00 0.64 C ATOM 333 O THR A 29 4.477 9.296 -6.479 1.00 0.72 O ATOM 334 CB THR A 29 2.386 7.463 -5.103 1.00 0.69 C ATOM 335 OG1 THR A 29 1.242 7.409 -4.267 1.00 1.02 O ATOM 336 CG2 THR A 29 2.881 6.048 -5.301 1.00 0.74 C ATOM 0 H THR A 29 2.114 8.559 -2.907 1.00 0.63 H new ATOM 0 HA THR A 29 4.371 7.808 -4.360 1.00 0.67 H new ATOM 0 HB THR A 29 2.133 7.892 -6.073 1.00 0.69 H new ATOM 0 HG1 THR A 29 0.571 6.818 -4.668 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.082 5.439 -5.724 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.733 6.052 -5.981 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.185 5.631 -4.341 1.00 0.74 H new ATOM 341 N GLY A 30 3.293 10.713 -5.202 1.00 0.60 N ATOM 342 CA GLY A 30 3.575 11.831 -6.080 1.00 0.64 C ATOM 343 C GLY A 30 4.928 12.448 -5.789 1.00 0.66 C ATOM 344 O GLY A 30 5.602 12.937 -6.696 1.00 0.72 O ATOM 0 H GLY A 30 2.714 10.932 -4.391 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.544 11.496 -7.117 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.799 12.587 -5.966 1.00 0.64 H new ATOM 348 N ALA A 31 5.330 12.423 -4.521 1.00 0.65 N ATOM 349 CA ALA A 31 6.615 12.981 -4.121 1.00 0.73 C ATOM 350 C ALA A 31 7.749 11.966 -4.291 1.00 0.75 C ATOM 351 O ALA A 31 8.914 12.291 -4.068 1.00 0.83 O ATOM 352 CB ALA A 31 6.551 13.465 -2.680 1.00 0.82 C ATOM 0 H ALA A 31 4.785 12.023 -3.757 1.00 0.65 H new ATOM 0 HA ALA A 31 6.828 13.827 -4.774 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.517 13.880 -2.392 1.00 0.82 H new ATOM 0 HB2 ALA A 31 5.784 14.234 -2.588 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.306 12.628 -2.026 1.00 0.82 H new ATOM 358 N VAL A 32 7.408 10.736 -4.681 1.00 0.76 N ATOM 359 CA VAL A 32 8.418 9.694 -4.866 1.00 0.87 C ATOM 360 C VAL A 32 8.880 9.596 -6.317 1.00 0.91 C ATOM 361 O VAL A 32 10.081 9.552 -6.587 1.00 1.03 O ATOM 362 CB VAL A 32 7.916 8.309 -4.405 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.629 7.938 -5.116 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.975 7.239 -4.634 1.00 1.23 C ATOM 0 H VAL A 32 6.451 10.440 -4.873 1.00 0.76 H new ATOM 0 HA VAL A 32 9.262 9.989 -4.243 1.00 0.87 H new ATOM 0 HB VAL A 32 7.716 8.367 -3.335 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.294 6.958 -4.775 1.00 1.07 H new ATOM 0 HG12 VAL A 32 5.863 8.681 -4.893 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.803 7.908 -6.192 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.595 6.273 -4.300 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.216 7.187 -5.696 1.00 1.23 H new ATOM 0 HG23 VAL A 32 9.873 7.490 -4.070 1.00 1.23 H new ATOM 368 N GLN A 33 7.935 9.535 -7.248 1.00 0.90 N ATOM 369 CA GLN A 33 8.278 9.413 -8.662 1.00 1.04 C ATOM 370 C GLN A 33 7.724 10.566 -9.496 1.00 1.07 C ATOM 371 O GLN A 33 7.191 10.346 -10.585 1.00 1.22 O ATOM 372 CB GLN A 33 7.768 8.082 -9.214 1.00 1.22 C ATOM 373 CG GLN A 33 8.098 6.889 -8.330 1.00 1.37 C ATOM 374 CD GLN A 33 9.030 5.901 -9.005 1.00 1.19 C ATOM 375 OE1 GLN A 33 8.624 4.798 -9.371 1.00 1.67 O ATOM 376 NE2 GLN A 33 10.287 6.294 -9.174 1.00 1.88 N ATOM 0 H GLN A 33 6.934 9.568 -7.053 1.00 0.90 H new ATOM 0 HA GLN A 33 9.365 9.451 -8.733 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.687 8.141 -9.341 1.00 1.22 H new ATOM 0 HB3 GLN A 33 8.197 7.920 -10.203 1.00 1.22 H new ATOM 0 HG2 GLN A 33 8.557 7.242 -7.406 1.00 1.37 H new ATOM 0 HG3 GLN A 33 7.174 6.380 -8.053 1.00 1.37 H new ATOM 0 HE21 GLN A 33 10.580 7.217 -8.855 1.00 1.88 H new ATOM 0 HE22 GLN A 33 10.960 5.672 -9.623 1.00 1.88 H new ATOM 383 N PRO A 34 7.852 11.816 -9.019 1.00 1.04 N ATOM 384 CA PRO A 34 7.368 12.980 -9.761 1.00 1.23 C ATOM 385 C PRO A 34 7.981 13.036 -11.157 1.00 1.50 C ATOM 386 O PRO A 34 7.268 13.091 -12.159 1.00 1.84 O ATOM 387 CB PRO A 34 7.830 14.178 -8.916 1.00 1.29 C ATOM 388 CG PRO A 34 8.865 13.633 -7.990 1.00 1.15 C ATOM 389 CD PRO A 34 8.493 12.199 -7.753 1.00 0.96 C ATOM 0 HA PRO A 34 6.288 12.959 -9.909 1.00 1.23 H new ATOM 0 HB2 PRO A 34 8.242 14.967 -9.545 1.00 1.29 H new ATOM 0 HB3 PRO A 34 6.998 14.613 -8.363 1.00 1.29 H new ATOM 0 HG2 PRO A 34 9.860 13.711 -8.428 1.00 1.15 H new ATOM 0 HG3 PRO A 34 8.884 14.191 -7.054 1.00 1.15 H new ATOM 0 HD2 PRO A 34 9.367 11.584 -7.540 1.00 0.96 H new ATOM 0 HD3 PRO A 34 7.814 12.092 -6.907 1.00 0.96 H new ATOM 397 N GLU A 35 9.307 13.000 -11.208 1.00 1.43 N ATOM 398 CA GLU A 35 10.032 13.022 -12.472 1.00 1.69 C ATOM 399 C GLU A 35 10.845 11.741 -12.647 1.00 1.95 C ATOM 400 O GLU A 35 11.907 11.749 -13.270 1.00 2.55 O ATOM 401 CB GLU A 35 10.957 14.241 -12.535 1.00 1.58 C ATOM 402 CG GLU A 35 10.280 15.493 -13.066 1.00 2.20 C ATOM 403 CD GLU A 35 10.987 16.764 -12.635 1.00 2.95 C ATOM 404 OE1 GLU A 35 10.807 17.177 -11.470 1.00 3.47 O ATOM 405 OE2 GLU A 35 11.719 17.346 -13.462 1.00 3.53 O ATOM 0 H GLU A 35 9.905 12.955 -10.383 1.00 1.43 H new ATOM 0 HA GLU A 35 9.305 13.088 -13.282 1.00 1.69 H new ATOM 0 HB2 GLU A 35 11.345 14.444 -11.537 1.00 1.58 H new ATOM 0 HB3 GLU A 35 11.813 14.005 -13.168 1.00 1.58 H new ATOM 0 HG2 GLU A 35 10.248 15.451 -14.155 1.00 2.20 H new ATOM 0 HG3 GLU A 35 9.248 15.519 -12.717 1.00 2.20 H new ATOM 412 N GLY A 36 10.350 10.645 -12.076 1.00 1.77 N ATOM 413 CA GLY A 36 11.054 9.378 -12.165 1.00 2.19 C ATOM 414 C GLY A 36 10.474 8.439 -13.208 1.00 1.74 C ATOM 415 O GLY A 36 9.843 8.877 -14.169 1.00 1.77 O ATOM 0 H GLY A 36 9.474 10.613 -11.554 1.00 1.77 H new ATOM 0 HA2 GLY A 36 12.101 9.568 -12.400 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.030 8.888 -11.192 1.00 2.19 H new ATOM 419 N ASN A 37 10.704 7.141 -13.015 1.00 2.06 N ATOM 420 CA ASN A 37 10.217 6.122 -13.940 1.00 2.08 C ATOM 421 C ASN A 37 8.764 5.755 -13.652 1.00 1.73 C ATOM 422 O ASN A 37 8.137 6.315 -12.752 1.00 1.94 O ATOM 423 CB ASN A 37 11.094 4.871 -13.855 1.00 3.12 C ATOM 424 CG ASN A 37 12.482 5.098 -14.418 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.928 6.236 -14.564 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.175 4.012 -14.739 1.00 4.34 N ATOM 0 H ASN A 37 11.227 6.770 -12.222 1.00 2.06 H new ATOM 0 HA ASN A 37 10.269 6.535 -14.947 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.174 4.557 -12.814 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.614 4.057 -14.397 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.116 4.102 -15.123 1.00 4.34 H new ATOM 0 HD22 ASN A 37 12.767 3.087 -14.601 1.00 4.34 H new ATOM 431 N GLU A 38 8.235 4.813 -14.429 1.00 1.77 N ATOM 432 CA GLU A 38 6.855 4.368 -14.270 1.00 1.76 C ATOM 433 C GLU A 38 6.777 3.084 -13.447 1.00 1.90 C ATOM 434 O GLU A 38 7.686 2.255 -13.487 1.00 2.28 O ATOM 435 CB GLU A 38 6.213 4.147 -15.643 1.00 2.18 C ATOM 436 CG GLU A 38 4.754 3.722 -15.581 1.00 2.12 C ATOM 437 CD GLU A 38 4.314 2.974 -16.824 1.00 2.42 C ATOM 438 OE1 GLU A 38 5.109 2.161 -17.341 1.00 2.88 O ATOM 439 OE2 GLU A 38 3.174 3.200 -17.281 1.00 2.81 O ATOM 0 H GLU A 38 8.744 4.342 -15.177 1.00 1.77 H new ATOM 0 HA GLU A 38 6.310 5.147 -13.736 1.00 1.76 H new ATOM 0 HB2 GLU A 38 6.288 5.068 -16.221 1.00 2.18 H new ATOM 0 HB3 GLU A 38 6.780 3.387 -16.180 1.00 2.18 H new ATOM 0 HG2 GLU A 38 4.600 3.090 -14.707 1.00 2.12 H new ATOM 0 HG3 GLU A 38 4.127 4.604 -15.451 1.00 2.12 H new ATOM 446 N VAL A 39 5.684 2.922 -12.703 1.00 1.79 N ATOM 447 CA VAL A 39 5.491 1.733 -11.876 1.00 2.04 C ATOM 448 C VAL A 39 4.008 1.475 -11.610 1.00 1.58 C ATOM 449 O VAL A 39 3.146 2.184 -12.130 1.00 1.86 O ATOM 450 CB VAL A 39 6.235 1.853 -10.534 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.736 1.944 -10.763 1.00 3.56 C ATOM 452 CG2 VAL A 39 5.735 3.056 -9.751 1.00 3.20 C ATOM 0 H VAL A 39 4.921 3.597 -12.656 1.00 1.79 H new ATOM 0 HA VAL A 39 5.903 0.892 -12.434 1.00 2.04 H new ATOM 0 HB VAL A 39 6.033 0.957 -9.946 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.246 2.028 -9.803 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.080 1.048 -11.279 1.00 3.56 H new ATOM 0 HG13 VAL A 39 7.959 2.821 -11.371 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.273 3.124 -8.805 1.00 3.20 H new ATOM 0 HG22 VAL A 39 5.904 3.963 -10.331 1.00 3.20 H new ATOM 0 HG23 VAL A 39 4.669 2.945 -9.555 1.00 3.20 H new ATOM 456 N GLU A 40 3.711 0.450 -10.808 1.00 1.19 N ATOM 457 CA GLU A 40 2.323 0.107 -10.499 1.00 0.87 C ATOM 458 C GLU A 40 2.162 -0.426 -9.073 1.00 0.72 C ATOM 459 O GLU A 40 2.615 -1.527 -8.749 1.00 0.71 O ATOM 460 CB GLU A 40 1.807 -0.924 -11.501 1.00 0.85 C ATOM 461 CG GLU A 40 2.735 -2.113 -11.687 1.00 0.98 C ATOM 462 CD GLU A 40 2.083 -3.248 -12.453 1.00 1.62 C ATOM 463 OE1 GLU A 40 1.863 -3.091 -13.673 1.00 2.29 O ATOM 464 OE2 GLU A 40 1.793 -4.293 -11.833 1.00 2.10 O ATOM 0 H GLU A 40 4.406 -0.151 -10.365 1.00 1.19 H new ATOM 0 HA GLU A 40 1.736 1.022 -10.574 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.833 -1.283 -11.170 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.657 -0.437 -12.465 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.631 -1.790 -12.217 1.00 0.98 H new ATOM 0 HG3 GLU A 40 3.055 -2.476 -10.710 1.00 0.98 H new ATOM 471 N MET A 41 1.493 0.364 -8.229 1.00 0.77 N ATOM 472 CA MET A 41 1.244 -0.016 -6.837 1.00 0.73 C ATOM 473 C MET A 41 -0.247 0.085 -6.505 1.00 0.68 C ATOM 474 O MET A 41 -0.807 1.180 -6.449 1.00 0.72 O ATOM 475 CB MET A 41 2.037 0.881 -5.878 1.00 0.88 C ATOM 476 CG MET A 41 3.468 1.153 -6.315 1.00 1.06 C ATOM 477 SD MET A 41 4.046 2.790 -5.818 1.00 1.42 S ATOM 478 CE MET A 41 4.742 2.438 -4.203 1.00 1.11 C ATOM 0 H MET A 41 1.113 1.275 -8.488 1.00 0.77 H new ATOM 0 HA MET A 41 1.570 -1.049 -6.714 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.515 1.832 -5.773 1.00 0.88 H new ATOM 0 HB3 MET A 41 2.053 0.415 -4.893 1.00 0.88 H new ATOM 0 HG2 MET A 41 4.125 0.395 -5.888 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.537 1.061 -7.399 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.479 3.238 -3.511 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.344 1.493 -3.833 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.827 2.369 -4.282 1.00 1.11 H new ATOM 488 N THR A 42 -0.889 -1.057 -6.277 1.00 0.81 N ATOM 489 CA THR A 42 -2.314 -1.070 -5.949 1.00 0.79 C ATOM 490 C THR A 42 -2.529 -1.129 -4.438 1.00 0.77 C ATOM 491 O THR A 42 -1.696 -1.659 -3.703 1.00 1.11 O ATOM 492 CB THR A 42 -3.007 -2.254 -6.622 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.257 -2.701 -7.742 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.409 -1.931 -7.096 1.00 1.61 C ATOM 0 H THR A 42 -0.452 -1.978 -6.312 1.00 0.81 H new ATOM 0 HA THR A 42 -2.752 -0.144 -6.322 1.00 0.79 H new ATOM 0 HB THR A 42 -3.072 -3.030 -5.860 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.867 -2.933 -8.473 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.847 -2.812 -7.565 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.021 -1.631 -6.245 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.370 -1.117 -7.820 1.00 1.61 H new ATOM 499 N VAL A 43 -3.651 -0.576 -3.980 1.00 0.65 N ATOM 500 CA VAL A 43 -3.971 -0.564 -2.555 1.00 0.64 C ATOM 501 C VAL A 43 -5.480 -0.535 -2.315 1.00 0.58 C ATOM 502 O VAL A 43 -6.224 0.162 -3.010 1.00 0.71 O ATOM 503 CB VAL A 43 -3.328 0.643 -1.846 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.498 0.533 -0.339 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.857 0.759 -2.214 1.00 1.51 C ATOM 0 H VAL A 43 -4.351 -0.132 -4.574 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.564 -1.486 -2.139 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.836 1.547 -2.181 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.037 1.395 0.143 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.560 0.505 -0.094 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.019 -0.380 0.015 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.421 1.617 -1.703 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.334 -0.148 -1.911 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.761 0.891 -3.292 1.00 1.51 H new ATOM 509 N ARG A 44 -5.927 -1.299 -1.323 1.00 0.55 N ATOM 510 CA ARG A 44 -7.344 -1.367 -0.984 1.00 0.54 C ATOM 511 C ARG A 44 -7.539 -1.464 0.527 1.00 0.57 C ATOM 512 O ARG A 44 -6.972 -2.339 1.181 1.00 0.69 O ATOM 513 CB ARG A 44 -7.992 -2.570 -1.671 1.00 0.61 C ATOM 514 CG ARG A 44 -9.366 -2.278 -2.248 1.00 1.19 C ATOM 515 CD ARG A 44 -10.393 -2.036 -1.153 1.00 1.98 C ATOM 516 NE ARG A 44 -11.680 -1.607 -1.695 1.00 2.48 N ATOM 517 CZ ARG A 44 -12.517 -2.413 -2.346 1.00 3.13 C ATOM 518 NH1 ARG A 44 -12.205 -3.688 -2.537 1.00 3.54 N ATOM 519 NH2 ARG A 44 -13.668 -1.942 -2.805 1.00 3.77 N ATOM 0 H ARG A 44 -5.327 -1.881 -0.739 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.822 -0.452 -1.335 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.338 -2.916 -2.471 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.075 -3.386 -0.953 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.311 -1.403 -2.896 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.686 -3.115 -2.869 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -10.529 -2.950 -0.575 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.018 -1.278 -0.466 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.954 -0.633 -1.567 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.321 -4.055 -2.185 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.849 -4.301 -3.036 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -13.913 -0.962 -2.660 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -14.309 -2.559 -3.304 1.00 3.77 H new ATOM 533 N ILE A 45 -8.342 -0.565 1.083 1.00 0.55 N ATOM 534 CA ILE A 45 -8.595 -0.576 2.517 1.00 0.61 C ATOM 535 C ILE A 45 -10.076 -0.764 2.824 1.00 0.59 C ATOM 536 O ILE A 45 -10.939 -0.168 2.179 1.00 0.60 O ATOM 537 CB ILE A 45 -8.094 0.713 3.192 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.613 1.941 2.446 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.574 0.720 3.249 1.00 0.94 C ATOM 540 CD1 ILE A 45 -8.080 3.248 2.991 1.00 0.63 C ATOM 0 H ILE A 45 -8.824 0.173 0.569 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.041 -1.423 2.921 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.477 0.746 4.212 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.342 1.858 1.393 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.702 1.953 2.495 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.232 1.637 3.729 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -6.227 -0.140 3.822 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.172 0.668 2.237 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -8.490 4.077 2.414 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.373 3.353 4.036 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.993 3.257 2.917 1.00 0.63 H new ATOM 544 N VAL A 46 -10.359 -1.607 3.813 1.00 0.63 N ATOM 545 CA VAL A 46 -11.731 -1.890 4.215 1.00 0.63 C ATOM 546 C VAL A 46 -11.761 -2.689 5.517 1.00 0.64 C ATOM 547 O VAL A 46 -10.753 -3.269 5.921 1.00 0.68 O ATOM 548 CB VAL A 46 -12.477 -2.676 3.117 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.815 -4.024 2.874 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.944 -2.851 3.482 1.00 1.52 C ATOM 0 H VAL A 46 -9.652 -2.107 4.352 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.231 -0.934 4.369 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.424 -2.102 2.192 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -12.358 -4.561 2.096 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.783 -3.871 2.557 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.829 -4.607 3.795 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.451 -3.408 2.694 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -14.022 -3.398 4.421 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.411 -1.872 3.592 1.00 1.52 H new ATOM 554 N ASP A 47 -12.920 -2.714 6.172 1.00 0.66 N ATOM 555 CA ASP A 47 -13.076 -3.442 7.430 1.00 0.71 C ATOM 556 C ASP A 47 -12.497 -4.853 7.328 1.00 0.74 C ATOM 557 O ASP A 47 -12.293 -5.373 6.231 1.00 0.81 O ATOM 558 CB ASP A 47 -14.553 -3.515 7.818 1.00 0.75 C ATOM 559 CG ASP A 47 -14.761 -3.458 9.319 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.103 -4.237 10.039 1.00 2.11 O ATOM 561 OD2 ASP A 47 -15.583 -2.635 9.774 1.00 1.88 O ATOM 0 H ASP A 47 -13.764 -2.239 5.853 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.526 -2.901 8.200 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.090 -2.691 7.348 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.983 -4.438 7.429 1.00 0.75 H new ATOM 566 N GLU A 48 -12.230 -5.461 8.479 1.00 0.76 N ATOM 567 CA GLU A 48 -11.670 -6.808 8.524 1.00 0.82 C ATOM 568 C GLU A 48 -12.567 -7.805 7.796 1.00 0.79 C ATOM 569 O GLU A 48 -12.180 -8.372 6.774 1.00 0.83 O ATOM 570 CB GLU A 48 -11.472 -7.249 9.975 1.00 0.92 C ATOM 571 CG GLU A 48 -10.118 -6.865 10.549 1.00 1.39 C ATOM 572 CD GLU A 48 -10.069 -6.990 12.059 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.090 -6.693 12.713 1.00 1.81 O ATOM 574 OE2 GLU A 48 -9.008 -7.385 12.588 1.00 2.30 O ATOM 0 H GLU A 48 -12.392 -5.042 9.395 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.705 -6.786 8.019 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.256 -6.808 10.590 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.590 -8.331 10.036 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.348 -7.500 10.110 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.885 -5.839 10.265 1.00 1.39 H new ATOM 581 N ALA A 49 -13.763 -8.020 8.334 1.00 0.86 N ATOM 582 CA ALA A 49 -14.717 -8.956 7.742 1.00 0.89 C ATOM 583 C ALA A 49 -14.899 -8.705 6.249 1.00 0.83 C ATOM 584 O ALA A 49 -14.727 -9.608 5.430 1.00 0.80 O ATOM 585 CB ALA A 49 -16.056 -8.863 8.458 1.00 0.99 C ATOM 0 H ALA A 49 -14.097 -7.559 9.180 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.314 -9.962 7.862 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.759 -9.565 8.008 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.923 -9.108 9.512 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.447 -7.850 8.368 1.00 0.99 H new ATOM 591 N GLU A 50 -15.255 -7.474 5.907 1.00 0.87 N ATOM 592 CA GLU A 50 -15.475 -7.088 4.515 1.00 0.88 C ATOM 593 C GLU A 50 -14.328 -7.543 3.613 1.00 0.84 C ATOM 594 O GLU A 50 -14.526 -8.344 2.700 1.00 0.85 O ATOM 595 CB GLU A 50 -15.645 -5.573 4.414 1.00 0.98 C ATOM 596 CG GLU A 50 -17.013 -5.083 4.855 1.00 1.52 C ATOM 597 CD GLU A 50 -18.094 -5.368 3.830 1.00 1.54 C ATOM 598 OE1 GLU A 50 -18.105 -4.696 2.778 1.00 2.17 O ATOM 599 OE2 GLU A 50 -18.927 -6.265 4.080 1.00 1.85 O ATOM 0 H GLU A 50 -15.399 -6.719 6.578 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.384 -7.583 4.174 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.881 -5.089 5.023 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.473 -5.265 3.383 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.278 -5.559 5.799 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.968 -4.010 5.041 1.00 1.52 H new ATOM 606 N SER A 51 -13.129 -7.025 3.872 1.00 0.87 N ATOM 607 CA SER A 51 -11.954 -7.380 3.079 1.00 0.92 C ATOM 608 C SER A 51 -11.771 -8.893 3.022 1.00 0.84 C ATOM 609 O SER A 51 -11.667 -9.480 1.942 1.00 0.83 O ATOM 610 CB SER A 51 -10.703 -6.722 3.664 1.00 1.04 C ATOM 611 OG SER A 51 -9.965 -6.044 2.661 1.00 1.90 O ATOM 0 H SER A 51 -12.946 -6.360 4.623 1.00 0.87 H new ATOM 0 HA SER A 51 -12.107 -7.015 2.063 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.990 -6.019 4.446 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.075 -7.480 4.132 1.00 1.04 H new ATOM 0 HG SER A 51 -9.687 -6.682 1.971 1.00 1.90 H new ATOM 617 N HIS A 52 -11.736 -9.517 4.196 1.00 0.86 N ATOM 618 CA HIS A 52 -11.569 -10.962 4.292 1.00 0.86 C ATOM 619 C HIS A 52 -12.647 -11.682 3.495 1.00 0.83 C ATOM 620 O HIS A 52 -12.443 -12.799 3.024 1.00 0.90 O ATOM 621 CB HIS A 52 -11.596 -11.395 5.753 1.00 0.94 C ATOM 622 CG HIS A 52 -10.618 -10.638 6.592 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.629 -10.320 7.907 1.00 1.39 N flip ATOM 624 CD2 HIS A 52 -9.456 -10.103 6.080 1.00 1.61 C flip ATOM 625 CE1 HIS A 52 -9.485 -9.604 8.162 1.00 1.28 C flip ATOM 626 NE2 HIS A 52 -8.795 -9.490 7.043 1.00 1.39 N flip ATOM 0 H HIS A 52 -11.821 -9.043 5.095 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.602 -11.231 3.867 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.600 -11.252 6.153 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.376 -12.461 5.817 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -11.352 -10.566 8.583 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -9.136 -10.174 5.051 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.197 -9.200 9.121 1.00 1.28 H new ATOM 635 N GLU A 53 -13.785 -11.021 3.319 1.00 0.86 N ATOM 636 CA GLU A 53 -14.878 -11.586 2.543 1.00 0.95 C ATOM 637 C GLU A 53 -14.651 -11.280 1.067 1.00 0.94 C ATOM 638 O GLU A 53 -14.991 -12.072 0.191 1.00 0.95 O ATOM 639 CB GLU A 53 -16.219 -11.011 3.005 1.00 1.10 C ATOM 640 CG GLU A 53 -17.323 -12.049 3.117 1.00 1.68 C ATOM 641 CD GLU A 53 -16.930 -13.226 3.988 1.00 2.38 C ATOM 642 OE1 GLU A 53 -16.310 -13.000 5.048 1.00 3.10 O ATOM 643 OE2 GLU A 53 -17.243 -14.374 3.609 1.00 2.71 O ATOM 0 H GLU A 53 -13.973 -10.095 3.703 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.905 -12.665 2.692 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -16.084 -10.531 3.974 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.532 -10.235 2.306 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -18.217 -11.580 3.528 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.581 -12.409 2.121 1.00 1.68 H new ATOM 650 N LEU A 54 -14.056 -10.117 0.812 1.00 0.95 N ATOM 651 CA LEU A 54 -13.755 -9.675 -0.543 1.00 1.00 C ATOM 652 C LEU A 54 -12.748 -10.607 -1.209 1.00 0.89 C ATOM 653 O LEU A 54 -13.021 -11.195 -2.257 1.00 0.93 O ATOM 654 CB LEU A 54 -13.205 -8.240 -0.502 1.00 1.06 C ATOM 655 CG LEU A 54 -12.473 -7.759 -1.762 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.042 -8.274 -1.788 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.222 -8.185 -3.018 1.00 1.24 C ATOM 0 H LEU A 54 -13.771 -9.459 1.537 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.672 -9.696 -1.131 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.035 -7.560 -0.307 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.522 -8.159 0.343 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.440 -6.670 -1.738 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.544 -7.920 -2.691 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.508 -7.908 -0.911 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.047 -9.364 -1.781 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.685 -7.833 -3.899 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.294 -9.272 -3.047 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.223 -7.755 -3.008 1.00 1.24 H new ATOM 663 N ASN A 55 -11.577 -10.732 -0.597 1.00 0.78 N ATOM 664 CA ASN A 55 -10.524 -11.582 -1.135 1.00 0.71 C ATOM 665 C ASN A 55 -10.989 -13.029 -1.240 1.00 0.69 C ATOM 666 O ASN A 55 -10.789 -13.684 -2.262 1.00 0.74 O ATOM 667 CB ASN A 55 -9.274 -11.499 -0.254 1.00 0.68 C ATOM 668 CG ASN A 55 -9.589 -11.710 1.215 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.754 -11.765 1.602 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.556 -11.827 2.046 1.00 1.42 N ATOM 0 H ASN A 55 -11.333 -10.256 0.271 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.282 -11.225 -2.136 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.552 -12.248 -0.580 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.803 -10.525 -0.386 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.717 -11.968 3.043 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.603 -11.776 1.686 1.00 1.42 H new ATOM 675 N LEU A 56 -11.596 -13.527 -0.171 1.00 0.71 N ATOM 676 CA LEU A 56 -12.070 -14.904 -0.137 1.00 0.79 C ATOM 677 C LEU A 56 -13.186 -15.162 -1.147 1.00 0.87 C ATOM 678 O LEU A 56 -13.172 -16.171 -1.852 1.00 0.97 O ATOM 679 CB LEU A 56 -12.549 -15.268 1.268 1.00 0.84 C ATOM 680 CG LEU A 56 -11.463 -15.810 2.201 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.495 -14.705 2.596 1.00 0.91 C ATOM 682 CD2 LEU A 56 -12.089 -16.438 3.435 1.00 0.92 C ATOM 0 H LEU A 56 -11.772 -12.998 0.683 1.00 0.71 H new ATOM 0 HA LEU A 56 -11.226 -15.536 -0.412 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.992 -14.383 1.725 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -13.340 -16.013 1.184 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.904 -16.579 1.668 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.731 -15.111 3.259 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -10.021 -14.299 1.702 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -11.038 -13.912 3.110 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -11.303 -16.818 4.088 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.673 -15.688 3.969 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.740 -17.259 3.135 1.00 0.92 H new ATOM 688 N THR A 57 -14.163 -14.265 -1.199 1.00 0.93 N ATOM 689 CA THR A 57 -15.293 -14.426 -2.110 1.00 1.09 C ATOM 690 C THR A 57 -14.852 -14.510 -3.570 1.00 1.14 C ATOM 691 O THR A 57 -15.601 -14.995 -4.417 1.00 1.27 O ATOM 692 CB THR A 57 -16.296 -13.280 -1.935 1.00 1.23 C ATOM 693 OG1 THR A 57 -17.531 -13.600 -2.553 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.824 -11.963 -2.518 1.00 1.45 C ATOM 0 H THR A 57 -14.197 -13.422 -0.625 1.00 0.93 H new ATOM 0 HA THR A 57 -15.773 -15.370 -1.854 1.00 1.09 H new ATOM 0 HB THR A 57 -16.405 -13.160 -0.857 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.366 -14.145 -3.351 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.585 -11.200 -2.356 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.898 -11.660 -2.030 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.649 -12.080 -3.587 1.00 1.45 H new ATOM 699 N TYR A 58 -13.651 -14.023 -3.877 1.00 1.08 N ATOM 700 CA TYR A 58 -13.169 -14.045 -5.257 1.00 1.17 C ATOM 701 C TYR A 58 -11.958 -14.965 -5.456 1.00 1.08 C ATOM 702 O TYR A 58 -11.656 -15.344 -6.588 1.00 1.19 O ATOM 703 CB TYR A 58 -12.846 -12.619 -5.727 1.00 1.25 C ATOM 704 CG TYR A 58 -11.374 -12.272 -5.709 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.728 -11.974 -4.517 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.631 -12.245 -6.883 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.384 -11.659 -4.494 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.286 -11.931 -6.869 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.667 -11.639 -5.672 1.00 2.11 C ATOM 710 OH TYR A 58 -7.327 -11.326 -5.653 1.00 2.74 O ATOM 0 H TYR A 58 -13.004 -13.615 -3.202 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.973 -14.457 -5.867 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.225 -12.489 -6.741 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.381 -11.911 -5.094 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.286 -11.989 -3.592 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.113 -12.473 -7.822 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -8.896 -11.429 -3.558 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -8.722 -11.914 -7.790 1.00 1.55 H new ATOM 0 HH TYR A 58 -7.124 -10.805 -4.848 1.00 2.74 H new ATOM 720 N ARG A 59 -11.252 -15.317 -4.380 1.00 0.99 N ATOM 721 CA ARG A 59 -10.075 -16.180 -4.523 1.00 0.99 C ATOM 722 C ARG A 59 -9.865 -17.121 -3.335 1.00 0.90 C ATOM 723 O ARG A 59 -9.353 -18.228 -3.503 1.00 0.97 O ATOM 724 CB ARG A 59 -8.821 -15.321 -4.728 1.00 1.05 C ATOM 725 CG ARG A 59 -8.280 -14.698 -3.448 1.00 1.58 C ATOM 726 CD ARG A 59 -7.018 -15.398 -2.968 1.00 1.65 C ATOM 727 NE ARG A 59 -5.843 -15.004 -3.744 1.00 2.22 N ATOM 728 CZ ARG A 59 -5.322 -15.725 -4.737 1.00 2.71 C ATOM 729 NH1 ARG A 59 -5.867 -16.885 -5.089 1.00 3.08 N ATOM 730 NH2 ARG A 59 -4.251 -15.284 -5.380 1.00 3.32 N ATOM 0 H ARG A 59 -11.465 -15.029 -3.425 1.00 0.99 H new ATOM 0 HA ARG A 59 -10.254 -16.809 -5.395 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.042 -15.936 -5.178 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -9.050 -14.526 -5.438 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -8.067 -13.643 -3.619 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -9.041 -14.748 -2.670 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.852 -15.165 -1.916 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -7.153 -16.477 -3.038 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.392 -14.119 -3.510 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -6.691 -17.231 -4.598 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -5.461 -17.429 -5.850 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.827 -14.395 -5.115 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -3.850 -15.834 -6.140 1.00 3.32 H new ATOM 744 N GLY A 60 -10.232 -16.679 -2.140 1.00 0.81 N ATOM 745 CA GLY A 60 -10.037 -17.508 -0.961 1.00 0.80 C ATOM 746 C GLY A 60 -8.676 -17.272 -0.333 1.00 0.78 C ATOM 747 O GLY A 60 -7.829 -18.165 -0.313 1.00 0.88 O ATOM 0 H GLY A 60 -10.658 -15.769 -1.963 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.818 -17.293 -0.231 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -10.136 -18.559 -1.234 1.00 0.80 H new ATOM 751 N LYS A 61 -8.459 -16.055 0.159 1.00 0.76 N ATOM 752 CA LYS A 61 -7.184 -15.687 0.767 1.00 0.90 C ATOM 753 C LYS A 61 -7.140 -16.025 2.257 1.00 0.95 C ATOM 754 O LYS A 61 -7.963 -16.790 2.760 1.00 1.42 O ATOM 755 CB LYS A 61 -6.911 -14.197 0.556 1.00 1.17 C ATOM 756 CG LYS A 61 -5.452 -13.884 0.258 1.00 1.31 C ATOM 757 CD LYS A 61 -5.308 -12.996 -0.968 1.00 1.00 C ATOM 758 CE LYS A 61 -3.884 -13.005 -1.499 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.907 -12.526 -0.483 1.00 2.13 N ATOM 0 H LYS A 61 -9.151 -15.306 0.148 1.00 0.76 H new ATOM 0 HA LYS A 61 -6.406 -16.272 0.276 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.527 -13.836 -0.267 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -7.217 -13.650 1.448 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -5.002 -13.391 1.120 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.905 -14.814 0.101 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.990 -13.337 -1.747 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.597 -11.976 -0.715 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.619 -14.016 -1.809 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.824 -12.374 -2.386 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -1.999 -13.014 -0.617 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.768 -11.501 -0.591 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -3.271 -12.728 0.470 1.00 2.13 H new ATOM 773 N ASP A 62 -6.148 -15.462 2.942 1.00 1.17 N ATOM 774 CA ASP A 62 -5.943 -15.697 4.369 1.00 1.25 C ATOM 775 C ASP A 62 -7.199 -15.416 5.195 1.00 1.66 C ATOM 776 O ASP A 62 -8.299 -15.272 4.662 1.00 2.50 O ATOM 777 CB ASP A 62 -4.780 -14.839 4.877 1.00 1.84 C ATOM 778 CG ASP A 62 -3.565 -14.915 3.972 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.685 -14.544 2.785 1.00 2.95 O ATOM 780 OD2 ASP A 62 -2.494 -15.344 4.451 1.00 3.06 O ATOM 0 H ASP A 62 -5.464 -14.831 2.524 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.706 -16.754 4.492 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -5.105 -13.802 4.957 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.503 -15.164 5.880 1.00 1.84 H new ATOM 785 N ARG A 63 -7.008 -15.346 6.512 1.00 1.71 N ATOM 786 CA ARG A 63 -8.086 -15.091 7.458 1.00 2.49 C ATOM 787 C ARG A 63 -7.861 -13.733 8.132 1.00 2.22 C ATOM 788 O ARG A 63 -7.030 -12.960 7.660 1.00 1.77 O ATOM 789 CB ARG A 63 -8.116 -16.229 8.484 1.00 3.33 C ATOM 790 CG ARG A 63 -9.478 -16.897 8.616 1.00 4.23 C ATOM 791 CD ARG A 63 -9.443 -18.346 8.153 1.00 4.88 C ATOM 792 NE ARG A 63 -9.776 -19.274 9.232 1.00 5.84 N ATOM 793 CZ ARG A 63 -8.955 -19.566 10.238 1.00 6.66 C ATOM 794 NH1 ARG A 63 -7.752 -19.008 10.306 1.00 6.76 N ATOM 795 NH2 ARG A 63 -9.336 -20.417 11.179 1.00 7.66 N ATOM 0 H ARG A 63 -6.095 -15.466 6.952 1.00 1.71 H new ATOM 0 HA ARG A 63 -9.049 -15.056 6.948 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.378 -16.980 8.202 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.817 -15.838 9.456 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.804 -16.855 9.655 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -10.212 -16.345 8.029 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -10.145 -18.481 7.330 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -8.451 -18.579 7.767 1.00 4.88 H new ATOM 0 HE ARG A 63 -10.691 -19.724 9.213 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -7.453 -18.352 9.585 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -7.127 -19.236 11.079 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -10.259 -20.849 11.133 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -8.706 -20.640 11.950 1.00 7.66 H new ATOM 809 N PRO A 64 -8.582 -13.403 9.234 1.00 3.04 N ATOM 810 CA PRO A 64 -8.413 -12.117 9.924 1.00 3.30 C ATOM 811 C PRO A 64 -6.954 -11.676 10.001 1.00 2.79 C ATOM 812 O PRO A 64 -6.239 -11.996 10.950 1.00 3.00 O ATOM 813 CB PRO A 64 -8.980 -12.409 11.305 1.00 4.45 C ATOM 814 CG PRO A 64 -10.098 -13.348 11.023 1.00 4.81 C ATOM 815 CD PRO A 64 -9.615 -14.230 9.900 1.00 4.12 C ATOM 0 HA PRO A 64 -8.908 -11.294 9.408 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.233 -12.858 11.960 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.331 -11.501 11.796 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.346 -13.938 11.905 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.000 -12.808 10.737 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.201 -15.166 10.274 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.424 -14.490 9.217 1.00 4.12 H new ATOM 823 N THR A 65 -6.527 -10.951 8.974 1.00 2.27 N ATOM 824 CA THR A 65 -5.159 -10.465 8.877 1.00 2.01 C ATOM 825 C THR A 65 -5.076 -8.978 9.228 1.00 1.59 C ATOM 826 O THR A 65 -5.997 -8.414 9.819 1.00 1.81 O ATOM 827 CB THR A 65 -4.641 -10.696 7.452 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.228 -10.620 7.410 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.186 -9.700 6.450 1.00 2.82 C ATOM 0 H THR A 65 -7.119 -10.685 8.187 1.00 2.27 H new ATOM 0 HA THR A 65 -4.542 -11.013 9.589 1.00 2.01 H new ATOM 0 HB THR A 65 -4.988 -11.692 7.177 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.919 -10.772 6.492 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.781 -9.919 5.462 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.273 -9.772 6.420 1.00 2.82 H new ATOM 0 HG23 THR A 65 -4.897 -8.691 6.745 1.00 2.82 H new ATOM 834 N ASN A 66 -3.968 -8.352 8.842 1.00 1.36 N ATOM 835 CA ASN A 66 -3.759 -6.931 9.092 1.00 1.09 C ATOM 836 C ASN A 66 -3.223 -6.251 7.835 1.00 0.83 C ATOM 837 O ASN A 66 -3.762 -5.241 7.384 1.00 1.09 O ATOM 838 CB ASN A 66 -2.786 -6.726 10.257 1.00 1.37 C ATOM 839 CG ASN A 66 -2.475 -5.260 10.497 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.620 -4.692 9.653 1.00 2.36 O flip ATOM 841 ND2 ASN A 66 -2.995 -4.647 11.429 1.00 1.35 N flip ATOM 0 H ASN A 66 -3.199 -8.809 8.353 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.716 -6.482 9.358 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.211 -7.158 11.163 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -1.860 -7.263 10.053 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -3.646 -5.124 12.053 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -2.775 -3.662 11.578 1.00 1.35 H new ATOM 846 N VAL A 67 -2.161 -6.820 7.272 1.00 0.71 N ATOM 847 CA VAL A 67 -1.550 -6.280 6.062 1.00 0.79 C ATOM 848 C VAL A 67 -1.628 -7.288 4.919 1.00 0.79 C ATOM 849 O VAL A 67 -0.606 -7.737 4.398 1.00 0.81 O ATOM 850 CB VAL A 67 -0.073 -5.883 6.287 1.00 1.12 C ATOM 851 CG1 VAL A 67 0.039 -4.403 6.617 1.00 1.59 C ATOM 852 CG2 VAL A 67 0.560 -6.731 7.383 1.00 1.51 C ATOM 0 H VAL A 67 -1.705 -7.657 7.636 1.00 0.71 H new ATOM 0 HA VAL A 67 -2.112 -5.384 5.800 1.00 0.79 H new ATOM 0 HB VAL A 67 0.472 -6.070 5.362 1.00 1.12 H new ATOM 0 HG11 VAL A 67 1.086 -4.143 6.772 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.363 -3.815 5.792 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -0.526 -4.189 7.524 1.00 1.59 H new ATOM 0 HG21 VAL A 67 1.599 -6.431 7.521 1.00 1.51 H new ATOM 0 HG22 VAL A 67 0.014 -6.587 8.315 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.521 -7.782 7.098 1.00 1.51 H new ATOM 856 N LEU A 68 -2.850 -7.637 4.532 1.00 0.86 N ATOM 857 CA LEU A 68 -3.069 -8.589 3.450 1.00 0.89 C ATOM 858 C LEU A 68 -2.928 -7.897 2.098 1.00 0.81 C ATOM 859 O LEU A 68 -3.746 -7.055 1.728 1.00 0.75 O ATOM 860 CB LEU A 68 -4.453 -9.241 3.607 1.00 0.99 C ATOM 861 CG LEU A 68 -5.184 -9.631 2.317 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.761 -11.019 1.863 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.689 -9.575 2.534 1.00 1.10 C ATOM 0 H LEU A 68 -3.705 -7.274 4.953 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.314 -9.374 3.498 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.339 -10.137 4.217 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.090 -8.555 4.164 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.917 -8.921 1.534 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -5.290 -11.279 0.946 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.687 -11.030 1.678 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.002 -11.745 2.639 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -7.200 -9.854 1.612 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.968 -10.268 3.328 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.978 -8.563 2.818 1.00 1.10 H new ATOM 869 N SER A 69 -1.882 -8.251 1.366 1.00 0.96 N ATOM 870 CA SER A 69 -1.635 -7.658 0.061 1.00 0.97 C ATOM 871 C SER A 69 -1.828 -8.679 -1.051 1.00 0.86 C ATOM 872 O SER A 69 -1.802 -9.886 -0.813 1.00 0.89 O ATOM 873 CB SER A 69 -0.218 -7.087 -0.002 1.00 1.18 C ATOM 874 OG SER A 69 0.263 -6.769 1.292 1.00 1.85 O ATOM 0 H SER A 69 -1.192 -8.945 1.653 1.00 0.96 H new ATOM 0 HA SER A 69 -2.355 -6.852 -0.082 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.448 -7.810 -0.473 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.210 -6.193 -0.626 1.00 1.18 H new ATOM 0 HG SER A 69 -0.403 -6.227 1.765 1.00 1.85 H new ATOM 880 N PHE A 70 -2.012 -8.182 -2.265 1.00 0.81 N ATOM 881 CA PHE A 70 -2.197 -9.038 -3.425 1.00 0.82 C ATOM 882 C PHE A 70 -0.949 -8.997 -4.305 1.00 0.91 C ATOM 883 O PHE A 70 -0.870 -8.215 -5.254 1.00 1.03 O ATOM 884 CB PHE A 70 -3.425 -8.597 -4.224 1.00 0.89 C ATOM 885 CG PHE A 70 -4.725 -9.090 -3.657 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.990 -10.447 -3.571 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.682 -8.195 -3.212 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.187 -10.900 -3.049 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.881 -8.641 -2.689 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.133 -9.996 -2.608 1.00 1.48 C ATOM 0 H PHE A 70 -2.037 -7.184 -2.472 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.357 -10.061 -3.085 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.447 -7.508 -4.267 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.328 -8.954 -5.249 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.254 -11.158 -3.915 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.489 -7.134 -3.274 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.382 -11.960 -2.986 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.619 -7.931 -2.345 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.069 -10.348 -2.200 1.00 1.48 H new ATOM 900 N PRO A 71 0.055 -9.831 -3.982 1.00 0.95 N ATOM 901 CA PRO A 71 1.312 -9.883 -4.730 1.00 1.11 C ATOM 902 C PRO A 71 1.179 -10.640 -6.045 1.00 1.11 C ATOM 903 O PRO A 71 0.261 -11.440 -6.225 1.00 1.14 O ATOM 904 CB PRO A 71 2.245 -10.632 -3.781 1.00 1.18 C ATOM 905 CG PRO A 71 1.342 -11.536 -3.020 1.00 1.13 C ATOM 906 CD PRO A 71 0.051 -10.781 -2.850 1.00 0.95 C ATOM 0 HA PRO A 71 1.662 -8.890 -5.011 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.002 -11.194 -4.328 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.773 -9.946 -3.118 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.180 -12.470 -3.558 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.773 -11.795 -2.053 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.811 -11.447 -2.888 1.00 0.95 H new ATOM 0 HD3 PRO A 71 0.012 -10.263 -1.892 1.00 0.95 H new ATOM 914 N PHE A 72 2.109 -10.388 -6.957 1.00 1.22 N ATOM 915 CA PHE A 72 2.108 -11.051 -8.253 1.00 1.28 C ATOM 916 C PHE A 72 2.981 -12.303 -8.203 1.00 1.36 C ATOM 917 O PHE A 72 4.033 -12.304 -7.564 1.00 1.47 O ATOM 918 CB PHE A 72 2.613 -10.092 -9.338 1.00 1.36 C ATOM 919 CG PHE A 72 4.099 -9.860 -9.298 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.971 -10.783 -9.851 1.00 1.65 C ATOM 921 CD2 PHE A 72 4.620 -8.723 -8.702 1.00 1.38 C ATOM 922 CE1 PHE A 72 6.337 -10.576 -9.814 1.00 1.83 C ATOM 923 CE2 PHE A 72 5.985 -8.512 -8.659 1.00 1.46 C ATOM 924 CZ PHE A 72 6.844 -9.439 -9.217 1.00 1.39 C ATOM 0 H PHE A 72 2.875 -9.728 -6.822 1.00 1.22 H new ATOM 0 HA PHE A 72 1.088 -11.346 -8.497 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.343 -10.490 -10.316 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.102 -9.135 -9.231 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.579 -11.675 -10.317 1.00 1.65 H new ATOM 0 HD2 PHE A 72 3.953 -7.994 -8.267 1.00 1.38 H new ATOM 0 HE1 PHE A 72 7.006 -11.302 -10.251 1.00 1.83 H new ATOM 0 HE2 PHE A 72 6.380 -7.623 -8.190 1.00 1.46 H new ATOM 0 HZ PHE A 72 7.911 -9.274 -9.186 1.00 1.39 H new ATOM 934 N GLU A 73 2.544 -13.367 -8.875 1.00 1.56 N ATOM 935 CA GLU A 73 3.298 -14.620 -8.899 1.00 1.67 C ATOM 936 C GLU A 73 4.780 -14.352 -9.145 1.00 1.31 C ATOM 937 O GLU A 73 5.171 -13.946 -10.239 1.00 1.43 O ATOM 938 CB GLU A 73 2.748 -15.550 -9.982 1.00 2.21 C ATOM 939 CG GLU A 73 3.250 -16.980 -9.865 1.00 2.25 C ATOM 940 CD GLU A 73 2.125 -17.996 -9.866 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.257 -17.921 -10.762 1.00 2.89 O ATOM 942 OE2 GLU A 73 2.110 -18.867 -8.971 1.00 2.62 O ATOM 0 H GLU A 73 1.675 -13.387 -9.408 1.00 1.56 H new ATOM 0 HA GLU A 73 3.189 -15.103 -7.928 1.00 1.67 H new ATOM 0 HB2 GLU A 73 1.659 -15.550 -9.931 1.00 2.21 H new ATOM 0 HB3 GLU A 73 3.021 -15.156 -10.961 1.00 2.21 H new ATOM 0 HG2 GLU A 73 3.927 -17.192 -10.693 1.00 2.25 H new ATOM 0 HG3 GLU A 73 3.828 -17.084 -8.946 1.00 2.25 H new ATOM 949 N CYS A 74 5.600 -14.562 -8.118 1.00 1.48 N ATOM 950 CA CYS A 74 7.032 -14.319 -8.234 1.00 1.68 C ATOM 951 C CYS A 74 7.854 -15.577 -7.955 1.00 1.76 C ATOM 952 O CYS A 74 8.690 -15.595 -7.051 1.00 2.31 O ATOM 953 CB CYS A 74 7.455 -13.204 -7.279 1.00 2.63 C ATOM 954 SG CYS A 74 7.195 -13.590 -5.532 1.00 3.95 S ATOM 0 H CYS A 74 5.298 -14.897 -7.203 1.00 1.48 H new ATOM 0 HA CYS A 74 7.227 -14.017 -9.263 1.00 1.68 H new ATOM 0 HB2 CYS A 74 8.511 -12.985 -7.438 1.00 2.63 H new ATOM 0 HB3 CYS A 74 6.901 -12.299 -7.526 1.00 2.63 H new ATOM 0 HG CYS A 74 7.758 -14.727 -5.250 1.00 3.95 H new ATOM 960 N PRO A 75 7.653 -16.640 -8.751 1.00 1.68 N ATOM 961 CA PRO A 75 8.405 -17.887 -8.604 1.00 2.01 C ATOM 962 C PRO A 75 9.795 -17.756 -9.214 1.00 2.43 C ATOM 963 O PRO A 75 10.754 -18.388 -8.770 1.00 3.08 O ATOM 964 CB PRO A 75 7.564 -18.888 -9.391 1.00 2.13 C ATOM 965 CG PRO A 75 6.926 -18.072 -10.463 1.00 2.21 C ATOM 966 CD PRO A 75 6.700 -16.701 -9.875 1.00 1.89 C ATOM 0 HA PRO A 75 8.561 -18.175 -7.564 1.00 2.01 H new ATOM 0 HB2 PRO A 75 8.181 -19.683 -9.810 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.817 -19.365 -8.757 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.567 -18.017 -11.343 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.984 -18.518 -10.782 1.00 2.21 H new ATOM 0 HD2 PRO A 75 6.892 -15.915 -10.606 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.672 -16.576 -9.535 1.00 1.89 H new ATOM 974 N ASP A 76 9.880 -16.911 -10.236 1.00 2.55 N ATOM 975 CA ASP A 76 11.125 -16.644 -10.939 1.00 3.28 C ATOM 976 C ASP A 76 11.461 -15.161 -10.840 1.00 3.54 C ATOM 977 O ASP A 76 11.885 -14.546 -11.819 1.00 4.33 O ATOM 978 CB ASP A 76 11.016 -17.060 -12.406 1.00 3.70 C ATOM 979 CG ASP A 76 11.405 -18.508 -12.628 1.00 4.37 C ATOM 980 OD1 ASP A 76 10.518 -19.383 -12.533 1.00 4.93 O ATOM 981 OD2 ASP A 76 12.597 -18.769 -12.894 1.00 4.70 O ATOM 0 H ASP A 76 9.082 -16.391 -10.600 1.00 2.55 H new ATOM 0 HA ASP A 76 11.921 -17.227 -10.476 1.00 3.28 H new ATOM 0 HB2 ASP A 76 9.993 -16.905 -12.749 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.656 -16.418 -13.011 1.00 3.70 H new ATOM 986 N GLU A 77 11.228 -14.592 -9.652 1.00 3.34 N ATOM 987 CA GLU A 77 11.459 -13.167 -9.392 1.00 4.10 C ATOM 988 C GLU A 77 12.440 -12.557 -10.390 1.00 4.12 C ATOM 989 O GLU A 77 13.645 -12.795 -10.334 1.00 4.72 O ATOM 990 CB GLU A 77 11.979 -12.975 -7.965 1.00 4.59 C ATOM 991 CG GLU A 77 13.360 -13.567 -7.733 1.00 5.37 C ATOM 992 CD GLU A 77 13.476 -14.266 -6.393 1.00 6.17 C ATOM 993 OE1 GLU A 77 12.782 -13.847 -5.442 1.00 6.84 O ATOM 994 OE2 GLU A 77 14.262 -15.233 -6.294 1.00 6.39 O ATOM 0 H GLU A 77 10.874 -15.106 -8.845 1.00 3.34 H new ATOM 0 HA GLU A 77 10.506 -12.651 -9.509 1.00 4.10 H new ATOM 0 HB2 GLU A 77 12.008 -11.909 -7.738 1.00 4.59 H new ATOM 0 HB3 GLU A 77 11.276 -13.430 -7.267 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.586 -14.276 -8.529 1.00 5.37 H new ATOM 0 HG3 GLU A 77 14.106 -12.774 -7.791 1.00 5.37 H new ATOM 1001 N VAL A 78 11.886 -11.781 -11.314 1.00 3.88 N ATOM 1002 CA VAL A 78 12.665 -11.133 -12.357 1.00 4.32 C ATOM 1003 C VAL A 78 12.726 -9.625 -12.144 1.00 4.59 C ATOM 1004 O VAL A 78 12.350 -9.122 -11.085 1.00 4.66 O ATOM 1005 CB VAL A 78 12.083 -11.441 -13.752 1.00 4.22 C ATOM 1006 CG1 VAL A 78 12.570 -12.795 -14.234 1.00 3.62 C ATOM 1007 CG2 VAL A 78 10.561 -11.399 -13.727 1.00 4.61 C ATOM 0 H VAL A 78 10.886 -11.585 -11.360 1.00 3.88 H new ATOM 0 HA VAL A 78 13.678 -11.532 -12.302 1.00 4.32 H new ATOM 0 HB VAL A 78 12.430 -10.676 -14.446 1.00 4.22 H new ATOM 0 HG11 VAL A 78 12.153 -13.002 -15.220 1.00 3.62 H new ATOM 0 HG12 VAL A 78 13.658 -12.790 -14.294 1.00 3.62 H new ATOM 0 HG13 VAL A 78 12.249 -13.567 -13.535 1.00 3.62 H new ATOM 0 HG21 VAL A 78 10.175 -11.619 -14.722 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.188 -12.141 -13.020 1.00 4.61 H new ATOM 0 HG23 VAL A 78 10.229 -10.407 -13.421 1.00 4.61 H new ATOM 1011 N GLU A 79 13.224 -8.908 -13.145 1.00 5.02 N ATOM 1012 CA GLU A 79 13.361 -7.461 -13.052 1.00 5.37 C ATOM 1013 C GLU A 79 12.380 -6.735 -13.969 1.00 4.83 C ATOM 1014 O GLU A 79 12.684 -6.465 -15.131 1.00 5.25 O ATOM 1015 CB GLU A 79 14.798 -7.063 -13.394 1.00 6.47 C ATOM 1016 CG GLU A 79 15.840 -8.023 -12.838 1.00 7.05 C ATOM 1017 CD GLU A 79 16.786 -8.542 -13.905 1.00 7.91 C ATOM 1018 OE1 GLU A 79 17.032 -7.811 -14.887 1.00 8.13 O ATOM 1019 OE2 GLU A 79 17.279 -9.680 -13.759 1.00 8.58 O ATOM 0 H GLU A 79 13.539 -9.306 -14.030 1.00 5.02 H new ATOM 0 HA GLU A 79 13.128 -7.164 -12.029 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.905 -7.011 -14.478 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.992 -6.063 -13.006 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.416 -7.518 -12.062 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.336 -8.865 -12.364 1.00 7.05 H new ATOM 1026 N LEU A 80 11.204 -6.410 -13.433 1.00 4.12 N ATOM 1027 CA LEU A 80 10.179 -5.702 -14.198 1.00 3.69 C ATOM 1028 C LEU A 80 9.580 -4.567 -13.365 1.00 3.19 C ATOM 1029 O LEU A 80 9.611 -4.606 -12.136 1.00 2.62 O ATOM 1030 CB LEU A 80 9.055 -6.649 -14.658 1.00 3.48 C ATOM 1031 CG LEU A 80 9.303 -8.148 -14.456 1.00 3.52 C ATOM 1032 CD1 LEU A 80 10.538 -8.600 -15.221 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.429 -8.477 -12.974 1.00 3.62 C ATOM 0 H LEU A 80 10.938 -6.626 -12.472 1.00 4.12 H new ATOM 0 HA LEU A 80 10.663 -5.290 -15.084 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.142 -6.379 -14.127 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.872 -6.473 -15.718 1.00 3.48 H new ATOM 0 HG LEU A 80 8.446 -8.692 -14.852 1.00 3.52 H new ATOM 0 HD11 LEU A 80 10.694 -9.667 -15.062 1.00 4.01 H new ATOM 0 HD12 LEU A 80 10.398 -8.408 -16.285 1.00 4.01 H new ATOM 0 HD13 LEU A 80 11.409 -8.049 -14.865 1.00 4.01 H new ATOM 0 HD21 LEU A 80 9.605 -9.546 -12.852 1.00 3.62 H new ATOM 0 HD22 LEU A 80 10.264 -7.921 -12.548 1.00 3.62 H new ATOM 0 HD23 LEU A 80 8.509 -8.200 -12.460 1.00 3.62 H new ATOM 1039 N PRO A 81 9.020 -3.541 -14.029 1.00 3.80 N ATOM 1040 CA PRO A 81 8.407 -2.399 -13.344 1.00 3.74 C ATOM 1041 C PRO A 81 7.056 -2.755 -12.731 1.00 2.98 C ATOM 1042 O PRO A 81 6.033 -2.739 -13.414 1.00 3.21 O ATOM 1043 CB PRO A 81 8.232 -1.374 -14.463 1.00 4.99 C ATOM 1044 CG PRO A 81 8.079 -2.192 -15.698 1.00 5.53 C ATOM 1045 CD PRO A 81 8.934 -3.416 -15.497 1.00 4.94 C ATOM 0 HA PRO A 81 9.014 -2.043 -12.512 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.358 -0.746 -14.292 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.094 -0.710 -14.531 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.036 -2.467 -15.857 1.00 5.53 H new ATOM 0 HG3 PRO A 81 8.399 -1.633 -16.578 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.483 -4.299 -15.949 1.00 4.94 H new ATOM 0 HD3 PRO A 81 9.919 -3.296 -15.948 1.00 4.94 H new ATOM 1053 N LEU A 82 7.061 -3.084 -11.443 1.00 2.52 N ATOM 1054 CA LEU A 82 5.832 -3.451 -10.747 1.00 1.87 C ATOM 1055 C LEU A 82 6.038 -3.471 -9.239 1.00 1.58 C ATOM 1056 O LEU A 82 7.148 -3.691 -8.752 1.00 2.06 O ATOM 1057 CB LEU A 82 5.360 -4.831 -11.206 1.00 1.92 C ATOM 1058 CG LEU A 82 6.470 -5.874 -11.343 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.169 -6.095 -10.011 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.907 -7.182 -11.870 1.00 2.10 C ATOM 0 H LEU A 82 7.899 -3.104 -10.862 1.00 2.52 H new ATOM 0 HA LEU A 82 5.078 -2.702 -10.988 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.619 -5.200 -10.497 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.858 -4.727 -12.168 1.00 1.92 H new ATOM 0 HG LEU A 82 7.204 -5.500 -12.056 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.955 -6.841 -10.132 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.608 -5.157 -9.670 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.446 -6.446 -9.275 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.710 -7.913 -11.962 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.152 -7.557 -11.180 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.455 -7.016 -12.848 1.00 2.10 H new ATOM 1066 N LEU A 83 4.957 -3.250 -8.504 1.00 1.15 N ATOM 1067 CA LEU A 83 5.011 -3.254 -7.051 1.00 1.18 C ATOM 1068 C LEU A 83 3.970 -4.206 -6.462 1.00 1.05 C ATOM 1069 O LEU A 83 4.132 -4.698 -5.345 1.00 1.39 O ATOM 1070 CB LEU A 83 4.824 -1.836 -6.515 1.00 1.20 C ATOM 1071 CG LEU A 83 6.075 -0.958 -6.622 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.887 0.120 -7.678 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.424 -0.343 -5.275 1.00 2.48 C ATOM 0 H LEU A 83 4.032 -3.066 -8.892 1.00 1.15 H new ATOM 0 HA LEU A 83 5.993 -3.614 -6.744 1.00 1.18 H new ATOM 0 HB2 LEU A 83 4.010 -1.358 -7.059 1.00 1.20 H new ATOM 0 HB3 LEU A 83 4.520 -1.891 -5.470 1.00 1.20 H new ATOM 0 HG LEU A 83 6.908 -1.591 -6.928 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.787 0.732 -7.737 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.701 -0.347 -8.645 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.038 0.749 -7.409 1.00 3.13 H new ATOM 0 HD21 LEU A 83 7.316 0.276 -5.378 1.00 2.48 H new ATOM 0 HD22 LEU A 83 5.593 0.272 -4.930 1.00 2.48 H new ATOM 0 HD23 LEU A 83 6.614 -1.136 -4.551 1.00 2.48 H new ATOM 1079 N GLY A 84 2.911 -4.481 -7.224 1.00 0.86 N ATOM 1080 CA GLY A 84 1.881 -5.394 -6.755 1.00 1.17 C ATOM 1081 C GLY A 84 0.655 -4.693 -6.196 1.00 1.02 C ATOM 1082 O GLY A 84 0.515 -3.473 -6.309 1.00 0.95 O ATOM 0 H GLY A 84 2.749 -4.090 -8.152 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.576 -6.039 -7.579 1.00 1.17 H new ATOM 0 HA3 GLY A 84 2.303 -6.039 -5.985 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.238 -5.479 -5.593 1.00 1.00 N ATOM 1087 CA ASP A 85 -1.467 -4.946 -5.011 1.00 0.88 C ATOM 1088 C ASP A 85 -1.446 -5.083 -3.488 1.00 0.82 C ATOM 1089 O ASP A 85 -0.785 -5.971 -2.949 1.00 0.93 O ATOM 1090 CB ASP A 85 -2.676 -5.677 -5.599 1.00 0.86 C ATOM 1091 CG ASP A 85 -2.986 -5.242 -7.017 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -2.052 -5.212 -7.846 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -4.162 -4.929 -7.298 1.00 2.17 O ATOM 0 H ASP A 85 -0.131 -6.489 -5.496 1.00 1.00 H new ATOM 0 HA ASP A 85 -1.541 -3.886 -5.253 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -2.489 -6.751 -5.585 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.547 -5.497 -4.969 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.159 -4.195 -2.793 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.196 -4.224 -1.331 1.00 0.69 C ATOM 1100 C LEU A 86 -3.623 -4.115 -0.792 1.00 0.60 C ATOM 1101 O LEU A 86 -4.508 -3.569 -1.451 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.345 -3.081 -0.771 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.494 -3.437 0.448 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.834 -4.037 0.016 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -0.266 -2.206 1.310 1.00 1.10 C ATOM 0 H LEU A 86 -2.715 -3.452 -3.216 1.00 0.73 H new ATOM 0 HA LEU A 86 -1.793 -5.184 -1.009 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -0.686 -2.720 -1.561 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.005 -2.256 -0.504 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.030 -4.180 1.038 1.00 0.94 H new ATOM 0 HD11 LEU A 86 1.426 -4.284 0.898 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.653 -4.942 -0.564 1.00 1.41 H new ATOM 0 HD13 LEU A 86 1.377 -3.316 -0.595 1.00 1.41 H new ATOM 0 HD21 LEU A 86 0.341 -2.474 2.174 1.00 1.10 H new ATOM 0 HD22 LEU A 86 0.250 -1.444 0.726 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.226 -1.816 1.648 1.00 1.10 H new ATOM 1111 N VAL A 87 -3.829 -4.627 0.423 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.139 -4.576 1.072 1.00 0.59 C ATOM 1113 C VAL A 87 -4.981 -4.471 2.588 1.00 0.66 C ATOM 1114 O VAL A 87 -4.664 -5.454 3.257 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.007 -5.810 0.740 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.483 -5.440 0.766 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -5.626 -6.396 -0.613 1.00 1.15 C ATOM 0 H VAL A 87 -3.104 -5.082 0.977 1.00 0.56 H new ATOM 0 HA VAL A 87 -5.645 -3.691 0.686 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.824 -6.570 1.499 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.083 -6.319 0.530 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.749 -5.075 1.758 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -7.676 -4.661 0.029 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.252 -7.263 -0.823 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -5.774 -5.645 -1.389 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -4.579 -6.699 -0.596 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.178 -3.270 3.125 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.028 -3.045 4.564 1.00 0.66 C ATOM 1123 C ILE A 88 -6.337 -2.604 5.215 1.00 0.74 C ATOM 1124 O ILE A 88 -7.195 -2.009 4.572 1.00 0.96 O ATOM 1125 CB ILE A 88 -3.930 -1.990 4.837 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.548 -2.643 4.775 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.132 -1.315 6.191 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.234 -3.274 3.437 1.00 1.94 C ATOM 0 H ILE A 88 -5.440 -2.441 2.592 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.737 -3.997 5.007 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.001 -1.223 4.066 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -1.791 -1.892 4.999 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.481 -3.405 5.551 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.344 -0.579 6.352 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.102 -0.818 6.209 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.095 -2.065 6.981 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.238 -3.717 3.468 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.969 -4.049 3.219 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.268 -2.512 2.658 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.469 -2.888 6.508 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.660 -2.510 7.257 1.00 0.89 C ATOM 1134 C CYS A 89 -7.597 -1.036 7.649 1.00 0.78 C ATOM 1135 O CYS A 89 -6.549 -0.538 8.060 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.800 -3.381 8.508 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.111 -5.127 8.159 1.00 1.32 S ATOM 0 H CYS A 89 -5.764 -3.379 7.058 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.531 -2.666 6.621 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.889 -3.296 9.101 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.615 -2.993 9.119 1.00 1.12 H new ATOM 0 HG CYS A 89 -7.798 -5.840 9.200 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.720 -0.341 7.507 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.788 1.081 7.834 1.00 0.91 C ATOM 1145 C ARG A 90 -9.042 1.313 9.324 1.00 0.81 C ATOM 1146 O ARG A 90 -9.068 2.455 9.780 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.888 1.757 7.014 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.282 1.225 7.308 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.902 1.918 8.512 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.391 0.960 9.502 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.003 1.308 10.632 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -13.201 2.588 10.922 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -13.419 0.373 11.476 1.00 5.12 N ATOM 0 H ARG A 90 -9.596 -0.738 7.168 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.821 1.519 7.587 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.869 2.829 7.210 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.673 1.623 5.954 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.919 1.370 6.436 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.232 0.152 7.491 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.163 2.572 8.974 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.726 2.551 8.182 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.255 -0.034 9.316 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -12.884 3.312 10.277 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -13.671 2.848 11.789 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -13.270 -0.612 11.259 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -13.888 0.640 12.342 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.242 0.236 10.077 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.507 0.350 11.508 1.00 0.63 C ATOM 1169 C GLN A 91 -8.214 0.373 12.322 1.00 0.58 C ATOM 1170 O GLN A 91 -8.090 1.137 13.279 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.389 -0.810 11.973 1.00 0.69 C ATOM 1172 CG GLN A 91 -9.722 -2.170 11.842 1.00 0.83 C ATOM 1173 CD GLN A 91 -10.678 -3.317 12.106 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.115 -3.982 11.042 1.00 1.35 O flip ATOM 1175 NE2 GLN A 91 -11.019 -3.604 13.253 1.00 1.12 N flip ATOM 0 H GLN A 91 -9.226 -0.721 9.723 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.026 1.294 11.673 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.667 -0.650 13.015 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -11.312 -0.809 11.393 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -9.307 -2.272 10.839 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -8.887 -2.230 12.540 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -10.659 -3.067 14.042 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -11.662 -4.379 13.415 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.266 -0.479 11.952 1.00 0.58 N ATOM 1183 CA VAL A 92 -5.995 -0.565 12.667 1.00 0.60 C ATOM 1184 C VAL A 92 -5.106 0.658 12.428 1.00 0.55 C ATOM 1185 O VAL A 92 -4.671 1.311 13.379 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.214 -1.842 12.291 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.896 -3.072 12.870 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.064 -1.972 10.781 1.00 1.68 C ATOM 0 H VAL A 92 -7.351 -1.120 11.163 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.253 -0.601 13.725 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.215 -1.764 12.720 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -5.332 -3.964 12.595 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.936 -2.988 13.956 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -6.909 -3.147 12.474 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.510 -2.881 10.547 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.051 -2.020 10.320 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.524 -1.108 10.393 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.827 0.964 11.163 1.00 0.48 N ATOM 1193 CA VAL A 93 -3.979 2.103 10.834 1.00 0.49 C ATOM 1194 C VAL A 93 -4.621 3.414 11.268 1.00 0.54 C ATOM 1195 O VAL A 93 -3.973 4.251 11.898 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.643 2.150 9.328 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.114 0.803 8.868 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.854 2.561 8.503 1.00 0.69 C ATOM 0 H VAL A 93 -5.173 0.444 10.357 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.048 1.973 11.385 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.870 2.903 9.176 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -2.880 0.848 7.804 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.212 0.556 9.428 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -3.870 0.037 9.041 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.584 2.584 7.447 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.659 1.842 8.656 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.187 3.551 8.814 1.00 0.69 H new ATOM 1202 N GLU A 94 -5.901 3.586 10.949 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.617 4.795 11.335 1.00 0.69 C ATOM 1204 C GLU A 94 -6.533 4.982 12.844 1.00 0.67 C ATOM 1205 O GLU A 94 -6.464 6.106 13.344 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.079 4.719 10.894 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.852 6.009 11.122 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.817 5.913 12.288 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.970 5.487 12.070 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -9.418 6.264 13.418 1.00 1.98 O ATOM 0 H GLU A 94 -6.459 2.909 10.429 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.154 5.649 10.841 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.117 4.465 9.835 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.571 3.910 11.434 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.149 6.822 11.303 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.405 6.261 10.217 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.518 3.862 13.562 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.418 3.886 15.013 1.00 0.61 C ATOM 1219 C ARG A 95 -5.003 4.261 15.429 1.00 0.70 C ATOM 1220 O ARG A 95 -4.802 5.095 16.313 1.00 0.77 O ATOM 1221 CB ARG A 95 -6.794 2.522 15.598 1.00 0.60 C ATOM 1222 CG ARG A 95 -6.770 2.483 17.118 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.163 2.298 17.701 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.547 3.409 18.568 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.567 3.366 19.421 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.310 2.270 19.523 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.849 4.421 20.174 1.00 3.75 N ATOM 0 H ARG A 95 -6.574 2.927 13.159 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.113 4.632 15.399 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -7.791 2.250 15.252 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.106 1.769 15.213 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.126 1.669 17.450 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -6.337 3.408 17.498 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -8.886 2.205 16.890 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.198 1.368 18.268 1.00 1.58 H new ATOM 0 HE ARG A 95 -8.001 4.269 18.516 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -10.100 1.456 18.946 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.091 2.242 20.179 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.284 5.267 20.099 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -10.631 4.387 20.828 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.021 3.650 14.769 1.00 0.73 N ATOM 1242 CA GLU A 96 -2.621 3.934 15.055 1.00 0.86 C ATOM 1243 C GLU A 96 -2.327 5.411 14.816 1.00 0.90 C ATOM 1244 O GLU A 96 -1.649 6.060 15.614 1.00 1.05 O ATOM 1245 CB GLU A 96 -1.710 3.066 14.183 1.00 0.93 C ATOM 1246 CG GLU A 96 -0.658 2.303 14.973 1.00 1.34 C ATOM 1247 CD GLU A 96 0.717 2.380 14.339 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.829 2.100 13.127 1.00 1.89 O ATOM 1249 OE2 GLU A 96 1.683 2.719 15.055 1.00 2.50 O ATOM 0 H GLU A 96 -4.171 2.958 14.035 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.425 3.700 16.101 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.322 2.355 13.628 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.212 3.700 13.449 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.610 2.702 15.986 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -0.958 1.258 15.056 1.00 1.34 H new ATOM 1256 N ALA A 97 -2.858 5.938 13.716 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.668 7.341 13.374 1.00 0.92 C ATOM 1258 C ALA A 97 -3.472 8.231 14.312 1.00 1.00 C ATOM 1259 O ALA A 97 -2.977 9.253 14.793 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.067 7.595 11.928 1.00 0.87 C ATOM 0 H ALA A 97 -3.423 5.413 13.048 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.612 7.584 13.488 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.919 8.648 11.689 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.452 6.983 11.268 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.117 7.336 11.789 1.00 0.87 H new ATOM 1266 N SER A 98 -4.712 7.832 14.579 1.00 0.92 N ATOM 1267 CA SER A 98 -5.581 8.590 15.472 1.00 1.01 C ATOM 1268 C SER A 98 -4.973 8.663 16.867 1.00 1.07 C ATOM 1269 O SER A 98 -5.143 9.653 17.579 1.00 1.18 O ATOM 1270 CB SER A 98 -6.968 7.950 15.537 1.00 0.99 C ATOM 1271 OG SER A 98 -7.812 8.650 16.435 1.00 1.50 O ATOM 0 H SER A 98 -5.137 6.990 14.190 1.00 0.92 H new ATOM 0 HA SER A 98 -5.681 9.602 15.079 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.416 7.943 14.543 1.00 0.99 H new ATOM 0 HB3 SER A 98 -6.878 6.911 15.853 1.00 0.99 H new ATOM 0 HG SER A 98 -8.693 8.222 16.457 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.260 7.608 17.249 1.00 1.04 N ATOM 1278 CA GLU A 99 -3.618 7.551 18.556 1.00 1.13 C ATOM 1279 C GLU A 99 -2.253 8.230 18.515 1.00 1.27 C ATOM 1280 O GLU A 99 -1.815 8.827 19.498 1.00 1.45 O ATOM 1281 CB GLU A 99 -3.465 6.097 19.010 1.00 1.07 C ATOM 1282 CG GLU A 99 -3.331 5.941 20.516 1.00 1.76 C ATOM 1283 CD GLU A 99 -2.184 5.031 20.910 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -1.025 5.359 20.576 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -2.443 3.991 21.549 1.00 2.68 O ATOM 0 H GLU A 99 -4.113 6.781 16.671 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.249 8.081 19.270 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.329 5.526 18.669 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -2.587 5.665 18.529 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.182 6.922 20.967 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -4.261 5.542 20.920 1.00 1.76 H new ATOM 1292 N GLN A 100 -1.586 8.133 17.368 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.270 8.739 17.194 1.00 1.37 C ATOM 1294 C GLN A 100 -0.375 10.259 17.089 1.00 1.48 C ATOM 1295 O GLN A 100 0.599 10.973 17.330 1.00 1.63 O ATOM 1296 CB GLN A 100 0.411 8.176 15.945 1.00 1.33 C ATOM 1297 CG GLN A 100 1.290 6.968 16.223 1.00 1.96 C ATOM 1298 CD GLN A 100 2.727 7.350 16.520 1.00 2.38 C ATOM 1299 OE1 GLN A 100 3.082 7.638 17.664 1.00 3.19 O ATOM 1300 NE2 GLN A 100 3.564 7.355 15.489 1.00 2.35 N ATOM 0 H GLN A 100 -1.935 7.641 16.546 1.00 1.22 H new ATOM 0 HA GLN A 100 0.331 8.496 18.070 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.353 7.899 15.218 1.00 1.33 H new ATOM 0 HB3 GLN A 100 1.017 8.958 15.488 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.883 6.414 17.069 1.00 1.96 H new ATOM 0 HG3 GLN A 100 1.266 6.300 15.362 1.00 1.96 H new ATOM 0 HE21 GLN A 100 3.228 7.110 14.558 1.00 2.35 H new ATOM 0 HE22 GLN A 100 4.543 7.604 15.628 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.559 10.748 16.729 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.787 12.182 16.592 1.00 1.59 C ATOM 1309 C GLU A 101 -0.916 12.769 15.485 1.00 1.58 C ATOM 1310 O GLU A 101 -0.278 13.807 15.663 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.504 12.897 17.917 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.711 12.968 18.838 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.720 14.221 19.691 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -1.803 14.378 20.524 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -3.644 15.045 19.527 1.00 2.68 O ATOM 0 H GLU A 101 -2.375 10.171 16.527 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.833 12.333 16.324 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -0.693 12.382 18.433 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.157 13.909 17.708 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.622 12.933 18.240 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.721 12.092 19.486 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.896 12.095 14.338 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.106 12.547 13.200 1.00 1.36 C ATOM 1324 C LYS A 102 -0.926 12.493 11.911 1.00 1.24 C ATOM 1325 O LYS A 102 -1.876 11.717 11.804 1.00 1.16 O ATOM 1326 CB LYS A 102 1.152 11.687 13.055 1.00 1.37 C ATOM 1327 CG LYS A 102 0.862 10.231 12.729 1.00 1.77 C ATOM 1328 CD LYS A 102 1.868 9.667 11.736 1.00 2.28 C ATOM 1329 CE LYS A 102 2.691 8.545 12.348 1.00 2.19 C ATOM 1330 NZ LYS A 102 4.118 8.608 11.925 1.00 2.36 N ATOM 0 H LYS A 102 -1.418 11.234 14.174 1.00 1.36 H new ATOM 0 HA LYS A 102 0.187 13.582 13.379 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.781 12.108 12.270 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.724 11.736 13.982 1.00 1.37 H new ATOM 0 HG2 LYS A 102 0.885 9.641 13.645 1.00 1.77 H new ATOM 0 HG3 LYS A 102 -0.144 10.143 12.318 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.342 9.295 10.856 1.00 2.28 H new ATOM 0 HD3 LYS A 102 2.532 10.463 11.398 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.632 8.603 13.435 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.268 7.584 12.056 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.645 7.826 12.364 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.177 8.527 10.890 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.530 9.515 12.226 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.568 13.320 10.913 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.274 13.362 9.628 1.00 1.21 C ATOM 1346 C PRO A 103 -1.312 12.000 8.944 1.00 1.01 C ATOM 1347 O PRO A 103 -0.282 11.347 8.777 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.462 14.361 8.790 1.00 1.28 C ATOM 1349 CG PRO A 103 0.844 14.500 9.499 1.00 1.36 C ATOM 1350 CD PRO A 103 0.550 14.274 10.952 1.00 1.42 C ATOM 0 HA PRO A 103 -2.318 13.650 9.753 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.320 13.997 7.772 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.974 15.321 8.717 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.568 13.774 9.130 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.273 15.489 9.337 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.412 13.866 11.480 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.275 15.199 11.458 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.510 11.577 8.553 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.691 10.290 7.888 1.00 0.93 C ATOM 1360 C LEU A 104 -1.879 10.215 6.597 1.00 0.85 C ATOM 1361 O LEU A 104 -1.590 9.125 6.100 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.172 10.056 7.588 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.955 9.355 8.701 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.453 9.485 8.465 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.551 7.890 8.793 1.00 1.51 C ATOM 0 H LEU A 104 -3.371 12.107 8.685 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.332 9.511 8.560 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.642 11.018 7.384 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.253 9.462 6.678 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.716 9.838 9.648 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.993 8.980 9.266 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.729 10.539 8.450 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.712 9.028 7.510 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.117 7.406 9.589 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.761 7.394 7.845 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.485 7.819 9.011 1.00 1.51 H new ATOM 1371 N MET A 105 -1.512 11.374 6.056 1.00 0.98 N ATOM 1372 CA MET A 105 -0.735 11.435 4.821 1.00 0.99 C ATOM 1373 C MET A 105 0.490 10.526 4.896 1.00 0.76 C ATOM 1374 O MET A 105 0.752 9.744 3.983 1.00 0.81 O ATOM 1375 CB MET A 105 -0.298 12.875 4.540 1.00 1.22 C ATOM 1376 CG MET A 105 -1.454 13.859 4.448 1.00 1.08 C ATOM 1377 SD MET A 105 -2.544 13.523 3.052 1.00 1.56 S ATOM 1378 CE MET A 105 -3.531 12.182 3.713 1.00 1.27 C ATOM 0 H MET A 105 -1.741 12.285 6.454 1.00 0.98 H new ATOM 0 HA MET A 105 -1.371 11.087 4.007 1.00 0.99 H new ATOM 0 HB2 MET A 105 0.381 13.199 5.328 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.263 12.899 3.606 1.00 1.22 H new ATOM 0 HG2 MET A 105 -2.032 13.822 5.372 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.058 14.871 4.360 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.559 12.280 3.363 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.122 11.229 3.377 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.514 12.220 4.802 1.00 1.27 H new ATOM 1388 N ALA A 106 1.233 10.634 5.992 1.00 0.70 N ATOM 1389 CA ALA A 106 2.427 9.822 6.188 1.00 0.63 C ATOM 1390 C ALA A 106 2.062 8.378 6.522 1.00 0.54 C ATOM 1391 O ALA A 106 2.727 7.438 6.080 1.00 0.61 O ATOM 1392 CB ALA A 106 3.289 10.416 7.291 1.00 0.84 C ATOM 0 H ALA A 106 1.029 11.276 6.758 1.00 0.70 H new ATOM 0 HA ALA A 106 2.993 9.820 5.256 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.178 9.801 7.429 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.587 11.428 7.015 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.721 10.446 8.221 1.00 0.84 H new ATOM 1398 N HIS A 107 1.001 8.211 7.307 1.00 0.53 N ATOM 1399 CA HIS A 107 0.547 6.884 7.706 1.00 0.60 C ATOM 1400 C HIS A 107 0.248 6.019 6.488 1.00 0.55 C ATOM 1401 O HIS A 107 0.599 4.843 6.455 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.696 6.983 8.591 1.00 0.70 C ATOM 1403 CG HIS A 107 -0.895 5.792 9.476 1.00 1.22 C ATOM 1404 ND1 HIS A 107 0.112 4.896 9.774 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.993 5.348 10.134 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.357 3.957 10.574 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.631 4.207 10.810 1.00 2.34 N ATOM 0 H HIS A 107 0.441 8.978 7.679 1.00 0.53 H new ATOM 0 HA HIS A 107 1.350 6.416 8.275 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.621 7.877 9.210 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.575 7.106 7.958 1.00 0.70 H new ATOM 0 HD2 HIS A 107 -2.971 5.806 10.128 1.00 1.93 H new ATOM 0 HE1 HIS A 107 0.207 3.125 10.969 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -2.247 3.645 11.398 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.396 6.607 5.487 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.729 5.881 4.269 1.00 0.46 C ATOM 1418 C TRP A 108 0.541 5.431 3.556 1.00 0.43 C ATOM 1419 O TRP A 108 0.736 4.241 3.295 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.573 6.757 3.340 1.00 0.55 C ATOM 1421 CG TRP A 108 -2.978 6.266 3.178 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.436 5.386 2.240 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.111 6.626 3.978 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -4.783 5.177 2.406 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.220 5.927 3.466 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.295 7.469 5.076 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.495 6.049 4.016 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.560 7.588 5.620 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.645 6.881 5.090 1.00 2.00 C ATOM 0 H TRP A 108 -0.697 7.582 5.495 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.309 4.999 4.540 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.594 7.774 3.731 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.096 6.801 2.361 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -2.827 4.922 1.478 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.363 4.564 1.834 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.464 8.018 5.493 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.334 5.506 3.608 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.714 8.238 6.469 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.621 6.995 5.539 1.00 2.00 H new ATOM 1440 N ALA A 109 1.409 6.394 3.253 1.00 0.47 N ATOM 1441 CA ALA A 109 2.670 6.110 2.579 1.00 0.51 C ATOM 1442 C ALA A 109 3.457 5.042 3.330 1.00 0.49 C ATOM 1443 O ALA A 109 4.033 4.140 2.724 1.00 0.64 O ATOM 1444 CB ALA A 109 3.494 7.383 2.448 1.00 0.62 C ATOM 0 H ALA A 109 1.260 7.380 3.465 1.00 0.47 H new ATOM 0 HA ALA A 109 2.449 5.730 1.581 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.433 7.158 1.943 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.937 8.119 1.868 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.702 7.785 3.439 1.00 0.62 H new ATOM 1450 N HIS A 110 3.470 5.146 4.655 1.00 0.44 N ATOM 1451 CA HIS A 110 4.178 4.179 5.484 1.00 0.53 C ATOM 1452 C HIS A 110 3.406 2.865 5.543 1.00 0.60 C ATOM 1453 O HIS A 110 3.988 1.784 5.457 1.00 0.86 O ATOM 1454 CB HIS A 110 4.378 4.733 6.896 1.00 0.57 C ATOM 1455 CG HIS A 110 5.550 4.136 7.612 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.715 4.213 8.978 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.618 3.448 7.144 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.835 3.600 9.320 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.401 3.126 8.226 1.00 2.16 N ATOM 0 H HIS A 110 3.000 5.887 5.175 1.00 0.44 H new ATOM 0 HA HIS A 110 5.155 3.993 5.038 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.510 5.814 6.838 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.475 4.552 7.480 1.00 0.57 H new ATOM 0 HD2 HIS A 110 6.817 3.199 6.112 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.221 3.503 10.324 1.00 1.93 H new ATOM 0 HE2 HIS A 110 8.277 2.605 8.190 1.00 2.16 H new ATOM 1468 N MET A 111 2.089 2.975 5.684 1.00 0.50 N ATOM 1469 CA MET A 111 1.218 1.808 5.752 1.00 0.59 C ATOM 1470 C MET A 111 1.410 0.906 4.538 1.00 0.59 C ATOM 1471 O MET A 111 1.633 -0.297 4.678 1.00 0.78 O ATOM 1472 CB MET A 111 -0.243 2.251 5.849 1.00 0.63 C ATOM 1473 CG MET A 111 -1.223 1.096 5.971 1.00 1.24 C ATOM 1474 SD MET A 111 -2.370 1.007 4.584 1.00 2.04 S ATOM 1475 CE MET A 111 -1.436 -0.019 3.454 1.00 1.59 C ATOM 0 H MET A 111 1.599 3.867 5.754 1.00 0.50 H new ATOM 0 HA MET A 111 1.483 1.238 6.643 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.358 2.907 6.712 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.495 2.838 4.966 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.668 0.160 6.039 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.787 1.200 6.898 1.00 1.24 H new ATOM 0 HE1 MET A 111 -2.112 -0.699 2.937 1.00 1.59 H new ATOM 0 HE2 MET A 111 -0.928 0.612 2.725 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.698 -0.596 4.011 1.00 1.59 H new ATOM 1485 N VAL A 112 1.316 1.487 3.345 1.00 0.51 N ATOM 1486 CA VAL A 112 1.478 0.721 2.113 1.00 0.58 C ATOM 1487 C VAL A 112 2.812 -0.023 2.089 1.00 0.64 C ATOM 1488 O VAL A 112 2.855 -1.231 1.846 1.00 0.78 O ATOM 1489 CB VAL A 112 1.372 1.620 0.863 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.062 2.080 0.655 1.00 1.46 C ATOM 1491 CG2 VAL A 112 2.309 2.812 0.972 1.00 1.42 C ATOM 0 H VAL A 112 1.130 2.480 3.205 1.00 0.51 H new ATOM 0 HA VAL A 112 0.666 -0.005 2.092 1.00 0.58 H new ATOM 0 HB VAL A 112 1.673 1.033 -0.005 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.116 2.713 -0.231 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -0.707 1.212 0.521 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.392 2.646 1.526 1.00 1.46 H new ATOM 0 HG21 VAL A 112 2.216 3.431 0.079 1.00 1.42 H new ATOM 0 HG22 VAL A 112 2.047 3.401 1.851 1.00 1.42 H new ATOM 0 HG23 VAL A 112 3.336 2.460 1.064 1.00 1.42 H new ATOM 1495 N VAL A 113 3.898 0.700 2.344 1.00 0.61 N ATOM 1496 CA VAL A 113 5.230 0.103 2.351 1.00 0.72 C ATOM 1497 C VAL A 113 5.347 -0.976 3.423 1.00 0.82 C ATOM 1498 O VAL A 113 5.909 -2.045 3.183 1.00 1.03 O ATOM 1499 CB VAL A 113 6.323 1.165 2.583 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.708 0.536 2.536 1.00 0.97 C ATOM 1501 CG2 VAL A 113 6.207 2.284 1.559 1.00 0.63 C ATOM 0 H VAL A 113 3.882 1.699 2.548 1.00 0.61 H new ATOM 0 HA VAL A 113 5.377 -0.349 1.370 1.00 0.72 H new ATOM 0 HB VAL A 113 6.178 1.591 3.576 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.463 1.305 2.702 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.788 -0.225 3.312 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.866 0.077 1.560 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.987 3.024 1.739 1.00 0.63 H new ATOM 0 HG22 VAL A 113 6.321 1.873 0.556 1.00 0.63 H new ATOM 0 HG23 VAL A 113 5.230 2.758 1.647 1.00 0.63 H new ATOM 1505 N HIS A 114 4.819 -0.689 4.608 1.00 0.75 N ATOM 1506 CA HIS A 114 4.873 -1.635 5.715 1.00 0.85 C ATOM 1507 C HIS A 114 4.100 -2.912 5.383 1.00 0.96 C ATOM 1508 O HIS A 114 4.564 -4.020 5.660 1.00 1.08 O ATOM 1509 CB HIS A 114 4.331 -0.973 6.997 1.00 0.89 C ATOM 1510 CG HIS A 114 3.158 -1.670 7.625 1.00 0.99 C ATOM 1511 ND1 HIS A 114 3.292 -2.737 8.489 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.827 -1.439 7.518 1.00 1.57 C ATOM 1513 CE1 HIS A 114 2.094 -3.132 8.885 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.189 -2.361 8.311 1.00 1.36 N ATOM 0 H HIS A 114 4.350 0.190 4.826 1.00 0.75 H new ATOM 0 HA HIS A 114 5.912 -1.918 5.884 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.137 -0.920 7.729 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.043 0.052 6.765 1.00 0.89 H new ATOM 0 HD1 HIS A 114 4.176 -3.156 8.777 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.356 -0.673 6.920 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.890 -3.947 9.563 1.00 1.30 H new ATOM 1523 N GLY A 115 2.920 -2.747 4.796 1.00 1.03 N ATOM 1524 CA GLY A 115 2.098 -3.891 4.445 1.00 1.18 C ATOM 1525 C GLY A 115 2.555 -4.598 3.182 1.00 1.20 C ATOM 1526 O GLY A 115 2.174 -5.743 2.942 1.00 1.36 O ATOM 0 H GLY A 115 2.517 -1.841 4.557 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.104 -4.601 5.272 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.067 -3.562 4.315 1.00 1.18 H new ATOM 1530 N SER A 116 3.363 -3.926 2.371 1.00 1.17 N ATOM 1531 CA SER A 116 3.850 -4.521 1.130 1.00 1.26 C ATOM 1532 C SER A 116 5.150 -5.294 1.355 1.00 1.36 C ATOM 1533 O SER A 116 5.256 -6.465 0.993 1.00 1.63 O ATOM 1534 CB SER A 116 4.061 -3.442 0.065 1.00 1.31 C ATOM 1535 OG SER A 116 5.397 -2.969 0.064 1.00 1.72 O ATOM 0 H SER A 116 3.693 -2.977 2.547 1.00 1.17 H new ATOM 0 HA SER A 116 3.093 -5.223 0.781 1.00 1.26 H new ATOM 0 HB2 SER A 116 3.816 -3.846 -0.917 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.380 -2.611 0.247 1.00 1.31 H new ATOM 0 HG SER A 116 5.813 -3.165 -0.802 1.00 1.72 H new ATOM 1541 N LEU A 117 6.134 -4.626 1.942 1.00 1.28 N ATOM 1542 CA LEU A 117 7.432 -5.242 2.206 1.00 1.49 C ATOM 1543 C LEU A 117 7.298 -6.495 3.067 1.00 1.69 C ATOM 1544 O LEU A 117 7.773 -7.568 2.695 1.00 1.94 O ATOM 1545 CB LEU A 117 8.359 -4.238 2.895 1.00 1.49 C ATOM 1546 CG LEU A 117 9.116 -3.301 1.954 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.153 -4.073 1.154 1.00 2.07 C ATOM 1548 CD2 LEU A 117 8.147 -2.585 1.024 1.00 2.38 C ATOM 0 H LEU A 117 6.060 -3.655 2.246 1.00 1.28 H new ATOM 0 HA LEU A 117 7.858 -5.537 1.247 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.768 -3.635 3.584 1.00 1.49 H new ATOM 0 HB3 LEU A 117 9.084 -4.789 3.494 1.00 1.49 H new ATOM 0 HG LEU A 117 9.634 -2.553 2.554 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.682 -3.390 0.489 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.864 -4.540 1.835 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.657 -4.843 0.563 1.00 2.07 H new ATOM 0 HD21 LEU A 117 8.702 -1.922 0.361 1.00 2.38 H new ATOM 0 HD22 LEU A 117 7.603 -3.319 0.430 1.00 2.38 H new ATOM 0 HD23 LEU A 117 7.441 -2.000 1.614 1.00 2.38 H new ATOM 1554 N HIS A 118 6.663 -6.348 4.223 1.00 1.70 N ATOM 1555 CA HIS A 118 6.482 -7.464 5.147 1.00 2.04 C ATOM 1556 C HIS A 118 5.625 -8.575 4.541 1.00 2.25 C ATOM 1557 O HIS A 118 5.653 -9.713 5.009 1.00 2.60 O ATOM 1558 CB HIS A 118 5.840 -6.972 6.446 1.00 2.10 C ATOM 1559 CG HIS A 118 6.831 -6.502 7.464 1.00 2.30 C ATOM 1560 ND1 HIS A 118 8.163 -6.285 7.176 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.679 -6.205 8.776 1.00 2.93 C ATOM 1562 CE1 HIS A 118 8.786 -5.877 8.267 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.908 -5.819 9.252 1.00 3.28 N ATOM 0 H HIS A 118 6.264 -5.466 4.545 1.00 1.70 H new ATOM 0 HA HIS A 118 7.469 -7.878 5.355 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.154 -6.157 6.216 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.245 -7.778 6.875 1.00 2.10 H new ATOM 0 HD2 HIS A 118 5.762 -6.261 9.343 1.00 2.93 H new ATOM 0 HE1 HIS A 118 9.835 -5.632 8.341 1.00 3.13 H new ATOM 0 HE2 HIS A 118 8.110 -5.534 10.210 1.00 3.28 H new ATOM 1572 N LEU A 119 4.846 -8.239 3.519 1.00 2.15 N ATOM 1573 CA LEU A 119 3.966 -9.213 2.882 1.00 2.45 C ATOM 1574 C LEU A 119 4.725 -10.206 2.000 1.00 2.53 C ATOM 1575 O LEU A 119 4.675 -11.413 2.237 1.00 2.98 O ATOM 1576 CB LEU A 119 2.892 -8.498 2.055 1.00 2.52 C ATOM 1577 CG LEU A 119 2.003 -9.404 1.193 1.00 2.47 C ATOM 1578 CD1 LEU A 119 2.632 -9.627 -0.174 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.745 -10.735 1.887 1.00 2.27 C ATOM 0 H LEU A 119 4.805 -7.303 3.115 1.00 2.15 H new ATOM 0 HA LEU A 119 3.496 -9.784 3.683 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.253 -7.933 2.734 1.00 2.52 H new ATOM 0 HB3 LEU A 119 3.383 -7.775 1.403 1.00 2.52 H new ATOM 0 HG LEU A 119 1.045 -8.904 1.055 1.00 2.47 H new ATOM 0 HD11 LEU A 119 1.987 -10.272 -0.771 1.00 3.30 H new ATOM 0 HD12 LEU A 119 2.754 -8.669 -0.679 1.00 3.30 H new ATOM 0 HD13 LEU A 119 3.606 -10.100 -0.053 1.00 3.30 H new ATOM 0 HD21 LEU A 119 1.112 -11.358 1.255 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.693 -11.243 2.065 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.244 -10.558 2.839 1.00 2.27 H new ATOM 1585 N LEU A 120 5.401 -9.708 0.967 1.00 2.25 N ATOM 1586 CA LEU A 120 6.125 -10.587 0.050 1.00 2.47 C ATOM 1587 C LEU A 120 7.639 -10.391 0.111 1.00 2.57 C ATOM 1588 O LEU A 120 8.391 -11.361 0.211 1.00 3.07 O ATOM 1589 CB LEU A 120 5.633 -10.370 -1.384 1.00 2.62 C ATOM 1590 CG LEU A 120 5.902 -8.980 -1.968 1.00 2.70 C ATOM 1591 CD1 LEU A 120 7.252 -8.945 -2.666 1.00 3.20 C ATOM 1592 CD2 LEU A 120 4.795 -8.586 -2.934 1.00 2.88 C ATOM 0 H LEU A 120 5.463 -8.714 0.745 1.00 2.25 H new ATOM 0 HA LEU A 120 5.920 -11.610 0.366 1.00 2.47 H new ATOM 0 HB2 LEU A 120 6.104 -11.113 -2.028 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.559 -10.556 -1.414 1.00 2.62 H new ATOM 0 HG LEU A 120 5.920 -8.261 -1.149 1.00 2.70 H new ATOM 0 HD11 LEU A 120 7.425 -7.949 -3.074 1.00 3.20 H new ATOM 0 HD12 LEU A 120 8.038 -9.185 -1.950 1.00 3.20 H new ATOM 0 HD13 LEU A 120 7.262 -9.676 -3.475 1.00 3.20 H new ATOM 0 HD21 LEU A 120 5.002 -7.596 -3.340 1.00 2.88 H new ATOM 0 HD22 LEU A 120 4.748 -9.309 -3.748 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.841 -8.570 -2.407 1.00 2.88 H new ATOM 1598 N GLY A 121 8.088 -9.145 0.019 1.00 2.56 N ATOM 1599 CA GLY A 121 9.514 -8.872 0.037 1.00 3.27 C ATOM 1600 C GLY A 121 9.974 -8.232 -1.257 1.00 3.49 C ATOM 1601 O GLY A 121 10.675 -8.851 -2.057 1.00 4.12 O ATOM 0 H GLY A 121 7.493 -8.321 -0.067 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.749 -8.213 0.873 1.00 3.27 H new ATOM 0 HA3 GLY A 121 10.061 -9.801 0.199 1.00 3.27 H new ATOM 1605 N TYR A 122 9.555 -6.989 -1.466 1.00 3.41 N ATOM 1606 CA TYR A 122 9.891 -6.237 -2.674 1.00 4.05 C ATOM 1607 C TYR A 122 11.367 -6.371 -3.055 1.00 4.04 C ATOM 1608 O TYR A 122 11.732 -6.175 -4.214 1.00 4.29 O ATOM 1609 CB TYR A 122 9.535 -4.762 -2.485 1.00 4.92 C ATOM 1610 CG TYR A 122 8.059 -4.469 -2.647 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.106 -5.143 -1.891 1.00 5.07 C ATOM 1612 CD2 TYR A 122 7.618 -3.519 -3.557 1.00 5.29 C ATOM 1613 CE1 TYR A 122 5.759 -4.877 -2.038 1.00 5.49 C ATOM 1614 CE2 TYR A 122 6.273 -3.250 -3.709 1.00 5.72 C ATOM 1615 CZ TYR A 122 5.348 -3.929 -2.949 1.00 5.83 C ATOM 1616 OH TYR A 122 4.007 -3.661 -3.101 1.00 6.50 O ATOM 0 H TYR A 122 8.974 -6.473 -0.805 1.00 3.41 H new ATOM 0 HA TYR A 122 9.306 -6.660 -3.491 1.00 4.05 H new ATOM 0 HB2 TYR A 122 9.853 -4.445 -1.492 1.00 4.92 H new ATOM 0 HB3 TYR A 122 10.096 -4.166 -3.205 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.425 -5.887 -1.177 1.00 5.07 H new ATOM 0 HD2 TYR A 122 8.339 -2.982 -4.156 1.00 5.29 H new ATOM 0 HE1 TYR A 122 5.032 -5.409 -1.442 1.00 5.49 H new ATOM 0 HE2 TYR A 122 5.947 -2.508 -4.423 1.00 5.72 H new ATOM 0 HH TYR A 122 3.675 -4.103 -3.910 1.00 6.50 H new ATOM 1626 N ASP A 123 12.213 -6.694 -2.085 1.00 4.20 N ATOM 1627 CA ASP A 123 13.644 -6.842 -2.335 1.00 4.65 C ATOM 1628 C ASP A 123 13.981 -8.213 -2.930 1.00 4.02 C ATOM 1629 O ASP A 123 14.966 -8.840 -2.540 1.00 4.67 O ATOM 1630 CB ASP A 123 14.427 -6.623 -1.036 1.00 5.43 C ATOM 1631 CG ASP A 123 15.326 -5.403 -1.102 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.841 -4.329 -1.513 1.00 6.82 O ATOM 1633 OD2 ASP A 123 16.516 -5.524 -0.741 1.00 6.57 O ATOM 0 H ASP A 123 11.935 -6.859 -1.118 1.00 4.20 H new ATOM 0 HA ASP A 123 13.933 -6.087 -3.066 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.727 -6.511 -0.208 1.00 5.43 H new ATOM 0 HB3 ASP A 123 15.031 -7.505 -0.826 1.00 5.43 H new ATOM 1638 N HIS A 124 13.164 -8.681 -3.875 1.00 2.97 N ATOM 1639 CA HIS A 124 13.400 -9.977 -4.504 1.00 2.45 C ATOM 1640 C HIS A 124 14.622 -9.928 -5.418 1.00 2.10 C ATOM 1641 O HIS A 124 15.561 -10.707 -5.251 1.00 2.45 O ATOM 1642 CB HIS A 124 12.164 -10.440 -5.282 1.00 2.23 C ATOM 1643 CG HIS A 124 11.662 -9.455 -6.294 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.798 -9.425 -7.640 1.00 2.46 N flip ATOM 1645 CD2 HIS A 124 10.902 -8.352 -5.964 1.00 2.98 C flip ATOM 1646 CE1 HIS A 124 11.124 -8.320 -8.097 1.00 2.83 C flip ATOM 1647 NE2 HIS A 124 10.592 -7.688 -7.065 1.00 3.06 N flip ATOM 0 H HIS A 124 12.341 -8.186 -4.218 1.00 2.97 H new ATOM 0 HA HIS A 124 13.597 -10.700 -3.713 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.399 -11.375 -5.790 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.364 -10.654 -4.574 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.606 -8.074 -4.963 1.00 2.98 H new ATOM 0 HE1 HIS A 124 11.042 -8.017 -9.130 1.00 2.83 H new ATOM 0 HE2 HIS A 124 10.037 -6.834 -7.110 1.00 3.06 H new ATOM 1656 N ILE A 125 14.616 -9.002 -6.370 1.00 1.91 N ATOM 1657 CA ILE A 125 15.739 -8.849 -7.291 1.00 2.11 C ATOM 1658 C ILE A 125 16.581 -7.641 -6.897 1.00 2.10 C ATOM 1659 O ILE A 125 16.052 -6.553 -6.666 1.00 1.90 O ATOM 1660 CB ILE A 125 15.276 -8.703 -8.754 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.149 -7.674 -8.867 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.831 -10.051 -9.306 1.00 2.86 C ATOM 1663 CD1 ILE A 125 14.385 -6.636 -9.940 1.00 3.27 C ATOM 0 H ILE A 125 13.849 -8.347 -6.525 1.00 1.91 H new ATOM 0 HA ILE A 125 16.339 -9.757 -7.221 1.00 2.11 H new ATOM 0 HB ILE A 125 16.118 -8.347 -9.347 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.213 -8.193 -9.075 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.029 -7.172 -7.907 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.507 -9.932 -10.340 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.663 -10.754 -9.265 1.00 2.86 H new ATOM 0 HG23 ILE A 125 14.004 -10.434 -8.708 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.547 -5.940 -9.963 1.00 3.27 H new ATOM 0 HD12 ILE A 125 15.304 -6.091 -9.723 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.475 -7.128 -10.908 1.00 3.27 H new ATOM 1667 N GLU A 126 17.889 -7.845 -6.796 1.00 2.54 N ATOM 1668 CA GLU A 126 18.800 -6.777 -6.398 1.00 2.75 C ATOM 1669 C GLU A 126 19.276 -5.941 -7.586 1.00 2.70 C ATOM 1670 O GLU A 126 20.197 -5.136 -7.445 1.00 2.83 O ATOM 1671 CB GLU A 126 20.008 -7.367 -5.669 1.00 3.67 C ATOM 1672 CG GLU A 126 20.774 -8.391 -6.492 1.00 4.39 C ATOM 1673 CD GLU A 126 22.201 -8.574 -6.012 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.393 -8.820 -4.803 1.00 6.01 O ATOM 1675 OE2 GLU A 126 23.125 -8.474 -6.845 1.00 5.87 O ATOM 0 H GLU A 126 18.343 -8.739 -6.984 1.00 2.54 H new ATOM 0 HA GLU A 126 18.246 -6.114 -5.733 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.684 -6.559 -5.389 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.671 -7.835 -4.744 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.254 -9.348 -6.449 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.783 -8.079 -7.536 1.00 4.39 H new ATOM 1682 N ASP A 127 18.666 -6.127 -8.753 1.00 2.79 N ATOM 1683 CA ASP A 127 19.076 -5.369 -9.931 1.00 3.14 C ATOM 1684 C ASP A 127 18.312 -4.050 -10.060 1.00 2.88 C ATOM 1685 O ASP A 127 18.879 -2.975 -9.859 1.00 3.08 O ATOM 1686 CB ASP A 127 18.872 -6.209 -11.193 1.00 3.66 C ATOM 1687 CG ASP A 127 20.088 -7.049 -11.530 1.00 4.67 C ATOM 1688 OD1 ASP A 127 21.216 -6.614 -11.215 1.00 5.15 O ATOM 1689 OD2 ASP A 127 19.913 -8.141 -12.110 1.00 5.29 O ATOM 0 H ASP A 127 17.900 -6.783 -8.908 1.00 2.79 H new ATOM 0 HA ASP A 127 20.133 -5.130 -9.813 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.009 -6.861 -11.057 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.644 -5.551 -12.032 1.00 3.66 H new ATOM 1694 N ASP A 128 17.029 -4.134 -10.401 1.00 2.70 N ATOM 1695 CA ASP A 128 16.200 -2.940 -10.563 1.00 2.87 C ATOM 1696 C ASP A 128 15.353 -2.653 -9.324 1.00 2.37 C ATOM 1697 O ASP A 128 15.593 -1.687 -8.600 1.00 2.51 O ATOM 1698 CB ASP A 128 15.296 -3.071 -11.791 1.00 3.34 C ATOM 1699 CG ASP A 128 16.035 -3.602 -13.005 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.693 -4.656 -12.886 1.00 4.30 O ATOM 1701 OD2 ASP A 128 15.955 -2.962 -14.074 1.00 4.15 O ATOM 0 H ASP A 128 16.540 -5.013 -10.570 1.00 2.70 H new ATOM 0 HA ASP A 128 16.880 -2.100 -10.703 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.465 -3.736 -11.557 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.868 -2.097 -12.028 1.00 3.34 H new ATOM 1706 N GLU A 129 14.343 -3.494 -9.116 1.00 2.02 N ATOM 1707 CA GLU A 129 13.411 -3.350 -7.998 1.00 1.94 C ATOM 1708 C GLU A 129 14.109 -2.932 -6.708 1.00 1.62 C ATOM 1709 O GLU A 129 13.806 -1.883 -6.153 1.00 1.65 O ATOM 1710 CB GLU A 129 12.650 -4.657 -7.770 1.00 2.14 C ATOM 1711 CG GLU A 129 11.508 -4.527 -6.775 1.00 3.04 C ATOM 1712 CD GLU A 129 10.202 -4.134 -7.436 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.763 -4.852 -8.359 1.00 4.68 O ATOM 1714 OE2 GLU A 129 9.616 -3.107 -7.030 1.00 4.72 O ATOM 0 H GLU A 129 14.147 -4.295 -9.717 1.00 2.02 H new ATOM 0 HA GLU A 129 12.713 -2.557 -8.267 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.253 -5.008 -8.723 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.346 -5.417 -7.415 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.376 -5.475 -6.253 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.769 -3.782 -6.023 1.00 3.04 H new ATOM 1721 N ALA A 130 15.037 -3.750 -6.225 1.00 1.57 N ATOM 1722 CA ALA A 130 15.753 -3.437 -4.992 1.00 1.56 C ATOM 1723 C ALA A 130 16.234 -1.986 -4.979 1.00 1.41 C ATOM 1724 O ALA A 130 15.865 -1.206 -4.097 1.00 1.33 O ATOM 1725 CB ALA A 130 16.923 -4.387 -4.804 1.00 1.92 C ATOM 0 H ALA A 130 15.311 -4.629 -6.664 1.00 1.57 H new ATOM 0 HA ALA A 130 15.059 -3.564 -4.161 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.447 -4.141 -3.880 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.555 -5.412 -4.750 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.608 -4.291 -5.646 1.00 1.92 H new ATOM 1731 N GLU A 131 17.051 -1.626 -5.966 1.00 1.46 N ATOM 1732 CA GLU A 131 17.573 -0.267 -6.070 1.00 1.46 C ATOM 1733 C GLU A 131 16.436 0.748 -6.123 1.00 1.38 C ATOM 1734 O GLU A 131 16.301 1.594 -5.236 1.00 1.37 O ATOM 1735 CB GLU A 131 18.458 -0.129 -7.310 1.00 1.66 C ATOM 1736 CG GLU A 131 19.931 -0.388 -7.039 1.00 1.92 C ATOM 1737 CD GLU A 131 20.828 0.115 -8.153 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.562 1.217 -8.677 1.00 2.84 O ATOM 1739 OE2 GLU A 131 21.799 -0.591 -8.498 1.00 3.30 O ATOM 0 H GLU A 131 17.365 -2.256 -6.704 1.00 1.46 H new ATOM 0 HA GLU A 131 18.174 -0.066 -5.183 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.110 -0.825 -8.074 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.343 0.875 -7.718 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.215 0.095 -6.104 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.089 -1.458 -6.906 1.00 1.92 H new ATOM 1746 N GLU A 132 15.616 0.654 -7.164 1.00 1.44 N ATOM 1747 CA GLU A 132 14.484 1.560 -7.330 1.00 1.53 C ATOM 1748 C GLU A 132 13.621 1.570 -6.074 1.00 1.29 C ATOM 1749 O GLU A 132 13.418 2.614 -5.457 1.00 1.22 O ATOM 1750 CB GLU A 132 13.644 1.148 -8.542 1.00 1.86 C ATOM 1751 CG GLU A 132 14.077 1.816 -9.837 1.00 2.46 C ATOM 1752 CD GLU A 132 15.531 1.552 -10.172 1.00 2.96 C ATOM 1753 OE1 GLU A 132 15.809 0.546 -10.860 1.00 3.44 O ATOM 1754 OE2 GLU A 132 16.393 2.351 -9.748 1.00 3.37 O ATOM 0 H GLU A 132 15.713 -0.040 -7.905 1.00 1.44 H new ATOM 0 HA GLU A 132 14.870 2.566 -7.497 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.702 0.066 -8.664 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.599 1.391 -8.349 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.449 1.458 -10.653 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.916 2.891 -9.758 1.00 2.46 H new ATOM 1761 N MET A 133 13.128 0.392 -5.696 1.00 1.28 N ATOM 1762 CA MET A 133 12.296 0.244 -4.505 1.00 1.23 C ATOM 1763 C MET A 133 12.906 0.997 -3.330 1.00 0.98 C ATOM 1764 O MET A 133 12.217 1.741 -2.631 1.00 0.92 O ATOM 1765 CB MET A 133 12.136 -1.235 -4.149 1.00 1.53 C ATOM 1766 CG MET A 133 11.165 -1.486 -3.007 1.00 1.39 C ATOM 1767 SD MET A 133 11.809 -2.653 -1.793 1.00 2.20 S ATOM 1768 CE MET A 133 12.386 -1.531 -0.522 1.00 2.47 C ATOM 0 H MET A 133 13.292 -0.479 -6.202 1.00 1.28 H new ATOM 0 HA MET A 133 11.314 0.665 -4.719 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.794 -1.777 -5.031 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.111 -1.643 -3.882 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.939 -0.541 -2.513 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.227 -1.867 -3.410 1.00 1.39 H new ATOM 0 HE1 MET A 133 12.814 -2.103 0.301 1.00 2.47 H new ATOM 0 HE2 MET A 133 13.146 -0.870 -0.938 1.00 2.47 H new ATOM 0 HE3 MET A 133 11.550 -0.936 -0.155 1.00 2.47 H new ATOM 1778 N GLU A 134 14.206 0.815 -3.132 1.00 1.00 N ATOM 1779 CA GLU A 134 14.908 1.498 -2.055 1.00 0.98 C ATOM 1780 C GLU A 134 14.858 3.004 -2.286 1.00 0.85 C ATOM 1781 O GLU A 134 14.572 3.779 -1.371 1.00 0.92 O ATOM 1782 CB GLU A 134 16.360 1.024 -1.976 1.00 1.17 C ATOM 1783 CG GLU A 134 16.546 -0.225 -1.129 1.00 1.00 C ATOM 1784 CD GLU A 134 17.905 -0.868 -1.328 1.00 1.57 C ATOM 1785 OE1 GLU A 134 18.876 -0.131 -1.598 1.00 2.11 O ATOM 1786 OE2 GLU A 134 17.997 -2.109 -1.217 1.00 2.40 O ATOM 0 H GLU A 134 14.792 0.203 -3.700 1.00 1.00 H new ATOM 0 HA GLU A 134 14.419 1.263 -1.110 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.725 0.827 -2.984 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.974 1.826 -1.566 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.420 0.032 -0.077 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.767 -0.946 -1.376 1.00 1.00 H new ATOM 1793 N SER A 135 15.125 3.407 -3.527 1.00 0.80 N ATOM 1794 CA SER A 135 15.097 4.816 -3.897 1.00 0.84 C ATOM 1795 C SER A 135 13.716 5.408 -3.641 1.00 0.80 C ATOM 1796 O SER A 135 13.568 6.357 -2.870 1.00 0.82 O ATOM 1797 CB SER A 135 15.478 4.987 -5.368 1.00 0.97 C ATOM 1798 OG SER A 135 16.861 5.265 -5.509 1.00 1.29 O ATOM 0 H SER A 135 15.363 2.775 -4.292 1.00 0.80 H new ATOM 0 HA SER A 135 15.823 5.348 -3.282 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.228 4.080 -5.919 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.895 5.797 -5.806 1.00 0.97 H new ATOM 0 HG SER A 135 17.079 5.368 -6.459 1.00 1.29 H new ATOM 1804 N LEU A 136 12.700 4.835 -4.286 1.00 0.81 N ATOM 1805 CA LEU A 136 11.332 5.309 -4.112 1.00 0.87 C ATOM 1806 C LEU A 136 10.933 5.240 -2.644 1.00 0.73 C ATOM 1807 O LEU A 136 10.514 6.237 -2.060 1.00 0.85 O ATOM 1808 CB LEU A 136 10.353 4.495 -4.967 1.00 0.98 C ATOM 1809 CG LEU A 136 10.554 2.978 -4.940 1.00 1.16 C ATOM 1810 CD1 LEU A 136 9.440 2.305 -4.153 1.00 1.17 C ATOM 1811 CD2 LEU A 136 10.613 2.426 -6.358 1.00 1.73 C ATOM 0 H LEU A 136 12.799 4.049 -4.928 1.00 0.81 H new ATOM 0 HA LEU A 136 11.289 6.347 -4.443 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.339 4.715 -4.634 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.431 4.835 -6.000 1.00 0.98 H new ATOM 0 HG LEU A 136 11.501 2.764 -4.445 1.00 1.16 H new ATOM 0 HD11 LEU A 136 9.600 1.227 -4.145 1.00 1.17 H new ATOM 0 HD12 LEU A 136 9.440 2.679 -3.129 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.480 2.526 -4.620 1.00 1.17 H new ATOM 0 HD21 LEU A 136 10.756 1.346 -6.322 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.680 2.651 -6.875 1.00 1.73 H new ATOM 0 HD23 LEU A 136 11.445 2.885 -6.893 1.00 1.73 H new ATOM 1817 N GLU A 137 11.086 4.062 -2.043 1.00 0.57 N ATOM 1818 CA GLU A 137 10.757 3.880 -0.633 1.00 0.51 C ATOM 1819 C GLU A 137 11.383 4.987 0.202 1.00 0.52 C ATOM 1820 O GLU A 137 10.758 5.523 1.116 1.00 0.53 O ATOM 1821 CB GLU A 137 11.239 2.514 -0.141 1.00 0.52 C ATOM 1822 CG GLU A 137 10.741 2.159 1.251 1.00 1.16 C ATOM 1823 CD GLU A 137 11.839 1.607 2.140 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.870 1.157 1.599 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.668 1.628 3.377 1.00 2.45 O ATOM 0 H GLU A 137 11.434 3.224 -2.508 1.00 0.57 H new ATOM 0 HA GLU A 137 9.673 3.926 -0.524 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.910 1.747 -0.842 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.329 2.500 -0.143 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.313 3.047 1.717 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.940 1.424 1.170 1.00 1.16 H new ATOM 1832 N THR A 138 12.617 5.335 -0.135 1.00 0.57 N ATOM 1833 CA THR A 138 13.326 6.392 0.569 1.00 0.67 C ATOM 1834 C THR A 138 12.743 7.756 0.204 1.00 0.69 C ATOM 1835 O THR A 138 12.780 8.692 1.003 1.00 0.77 O ATOM 1836 CB THR A 138 14.815 6.346 0.228 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.420 5.188 0.778 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.582 7.546 0.733 1.00 1.10 C ATOM 0 H THR A 138 13.147 4.901 -0.891 1.00 0.57 H new ATOM 0 HA THR A 138 13.207 6.238 1.641 1.00 0.67 H new ATOM 0 HB THR A 138 14.861 6.338 -0.861 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.275 4.427 0.178 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.632 7.449 0.457 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.172 8.453 0.289 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.496 7.602 1.818 1.00 1.10 H new ATOM 1843 N GLN A 139 12.206 7.859 -1.009 1.00 0.70 N ATOM 1844 CA GLN A 139 11.616 9.105 -1.483 1.00 0.79 C ATOM 1845 C GLN A 139 10.221 9.316 -0.895 1.00 0.67 C ATOM 1846 O GLN A 139 9.836 10.442 -0.587 1.00 0.67 O ATOM 1847 CB GLN A 139 11.549 9.112 -3.012 1.00 0.92 C ATOM 1848 CG GLN A 139 11.875 10.461 -3.632 1.00 1.04 C ATOM 1849 CD GLN A 139 12.857 10.351 -4.782 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.832 11.100 -4.858 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.605 9.411 -5.688 1.00 1.28 N ATOM 0 H GLN A 139 12.168 7.093 -1.681 1.00 0.70 H new ATOM 0 HA GLN A 139 12.252 9.925 -1.150 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.243 8.366 -3.401 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.549 8.811 -3.324 1.00 0.92 H new ATOM 0 HG2 GLN A 139 10.955 10.925 -3.987 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.289 11.118 -2.867 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.786 8.812 -5.587 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.231 9.289 -6.484 1.00 1.28 H new ATOM 1858 N ILE A 140 9.467 8.232 -0.732 1.00 0.60 N ATOM 1859 CA ILE A 140 8.122 8.333 -0.166 1.00 0.52 C ATOM 1860 C ILE A 140 8.184 8.323 1.357 1.00 0.47 C ATOM 1861 O ILE A 140 7.402 8.997 2.024 1.00 0.48 O ATOM 1862 CB ILE A 140 7.165 7.204 -0.647 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.875 6.222 -1.584 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.948 7.807 -1.335 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.944 5.230 -2.248 1.00 1.12 C ATOM 0 H ILE A 140 9.757 7.286 -0.979 1.00 0.60 H new ATOM 0 HA ILE A 140 7.715 9.279 -0.524 1.00 0.52 H new ATOM 0 HB ILE A 140 6.840 6.645 0.231 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.400 6.785 -2.355 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.630 5.676 -1.018 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.285 7.008 -1.668 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.417 8.452 -0.635 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.270 8.393 -2.196 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.519 4.569 -2.896 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.437 4.640 -1.485 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.204 5.767 -2.842 1.00 1.12 H new ATOM 1869 N MET A 141 9.123 7.554 1.901 1.00 0.47 N ATOM 1870 CA MET A 141 9.289 7.455 3.347 1.00 0.51 C ATOM 1871 C MET A 141 10.190 8.565 3.886 1.00 0.62 C ATOM 1872 O MET A 141 9.816 9.287 4.811 1.00 0.71 O ATOM 1873 CB MET A 141 9.868 6.091 3.724 1.00 0.51 C ATOM 1874 CG MET A 141 9.011 4.919 3.272 1.00 0.53 C ATOM 1875 SD MET A 141 7.363 4.944 4.002 1.00 1.02 S ATOM 1876 CE MET A 141 6.413 5.655 2.661 1.00 0.44 C ATOM 0 H MET A 141 9.780 6.990 1.362 1.00 0.47 H new ATOM 0 HA MET A 141 8.303 7.568 3.799 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.861 5.994 3.286 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.991 6.044 4.806 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.924 4.935 2.186 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.508 3.986 3.538 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.670 6.342 3.066 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.080 6.196 1.989 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.910 4.860 2.110 1.00 0.44 H new ATOM 1886 N GLN A 142 11.387 8.681 3.318 1.00 0.66 N ATOM 1887 CA GLN A 142 12.353 9.685 3.759 1.00 0.79 C ATOM 1888 C GLN A 142 12.143 11.029 3.063 1.00 0.80 C ATOM 1889 O GLN A 142 12.257 12.082 3.690 1.00 0.85 O ATOM 1890 CB GLN A 142 13.778 9.191 3.504 1.00 0.90 C ATOM 1891 CG GLN A 142 14.765 9.599 4.585 1.00 1.34 C ATOM 1892 CD GLN A 142 15.737 8.489 4.936 1.00 1.47 C ATOM 1893 OE1 GLN A 142 15.506 7.719 5.868 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.830 8.401 4.188 1.00 1.85 N ATOM 0 H GLN A 142 11.712 8.092 2.551 1.00 0.66 H new ATOM 0 HA GLN A 142 12.199 9.836 4.827 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.768 8.104 3.424 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.122 9.578 2.545 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.323 10.474 4.251 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.217 9.893 5.480 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.980 9.061 3.425 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.519 7.673 4.376 1.00 1.85 H new ATOM 1901 N GLY A 143 11.855 10.989 1.763 1.00 0.79 N ATOM 1902 CA GLY A 143 11.651 12.213 1.002 1.00 0.84 C ATOM 1903 C GLY A 143 10.820 13.249 1.738 1.00 0.81 C ATOM 1904 O GLY A 143 10.999 14.450 1.540 1.00 1.05 O ATOM 0 H GLY A 143 11.759 10.130 1.222 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.621 12.645 0.755 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.162 11.969 0.059 1.00 0.84 H new ATOM 1908 N LEU A 144 9.913 12.785 2.590 1.00 0.75 N ATOM 1909 CA LEU A 144 9.057 13.684 3.357 1.00 0.72 C ATOM 1910 C LEU A 144 9.460 13.700 4.828 1.00 0.87 C ATOM 1911 O LEU A 144 9.256 14.692 5.527 1.00 1.01 O ATOM 1912 CB LEU A 144 7.592 13.268 3.222 1.00 0.62 C ATOM 1913 CG LEU A 144 7.098 13.089 1.785 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.198 11.632 1.366 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.668 13.589 1.644 1.00 0.81 C ATOM 0 H LEU A 144 9.751 11.794 2.767 1.00 0.75 H new ATOM 0 HA LEU A 144 9.180 14.690 2.955 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.445 12.331 3.759 1.00 0.62 H new ATOM 0 HB3 LEU A 144 6.971 14.017 3.713 1.00 0.62 H new ATOM 0 HG LEU A 144 7.734 13.681 1.127 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.843 11.523 0.341 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.237 11.306 1.426 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.587 11.020 2.029 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.335 13.453 0.615 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.018 13.026 2.313 1.00 0.81 H new ATOM 0 HD23 LEU A 144 5.625 14.647 1.902 1.00 0.81 H new ATOM 1921 N GLY A 145 10.033 12.593 5.292 1.00 0.91 N ATOM 1922 CA GLY A 145 10.454 12.501 6.677 1.00 1.11 C ATOM 1923 C GLY A 145 9.283 12.363 7.629 1.00 1.11 C ATOM 1924 O GLY A 145 8.848 13.341 8.236 1.00 1.24 O ATOM 0 H GLY A 145 10.213 11.759 4.733 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.118 11.645 6.796 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.029 13.389 6.939 1.00 1.11 H new ATOM 1928 N PHE A 146 8.769 11.145 7.758 1.00 1.15 N ATOM 1929 CA PHE A 146 7.639 10.881 8.641 1.00 1.25 C ATOM 1930 C PHE A 146 8.108 10.643 10.072 1.00 1.47 C ATOM 1931 O PHE A 146 7.588 11.249 11.006 1.00 99.99 O ATOM 1932 CB PHE A 146 6.848 9.670 8.144 1.00 1.63 C ATOM 1933 CG PHE A 146 6.469 9.754 6.693 1.00 1.09 C ATOM 1934 CD1 PHE A 146 5.992 10.938 6.155 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.588 8.648 5.869 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.641 11.017 4.821 1.00 1.65 C ATOM 1937 CE2 PHE A 146 6.239 8.722 4.534 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.764 9.908 4.010 1.00 0.93 C ATOM 0 H PHE A 146 9.117 10.324 7.262 1.00 1.15 H new ATOM 0 HA PHE A 146 6.992 11.758 8.632 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.440 8.769 8.305 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.943 9.567 8.742 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.893 11.809 6.785 1.00 1.74 H new ATOM 0 HD2 PHE A 146 6.958 7.717 6.274 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.271 11.946 4.414 1.00 1.65 H new ATOM 0 HE2 PHE A 146 6.338 7.853 3.901 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.489 9.967 2.967 1.00 0.93 H new