USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0 K(o=-0.0059,f=-0.6) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc=-0.00591 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.028 (180deg=-0.328) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.29 (180deg=1.23) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 164:sc= -0.0344 (180deg=-0.299) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 0.849 (180deg=-0.323) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.443! C(o=0.44!,f=-4.2!) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.2) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 106 MET CE :methyl -173:sc= 0 (180deg=-0.0409) USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= 0.152 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.186 7.442 1.646 1.00 0.00 N ATOM 2 CA MET A 1 8.275 6.785 0.326 1.00 0.00 C ATOM 3 C MET A 1 7.873 5.319 0.432 1.00 0.00 C ATOM 4 O MET A 1 8.436 4.578 1.239 1.00 0.00 O ATOM 5 CB MET A 1 9.686 6.925 -0.250 1.00 0.00 C ATOM 6 CG MET A 1 9.782 6.317 -1.650 1.00 0.00 C ATOM 7 SD MET A 1 11.409 6.485 -2.427 1.00 0.00 S ATOM 8 CE MET A 1 12.388 5.446 -1.312 1.00 0.00 C ATOM 0 H1 MET A 1 8.381 8.458 1.542 1.00 0.00 H new ATOM 0 H2 MET A 1 7.231 7.311 2.035 1.00 0.00 H new ATOM 0 H3 MET A 1 8.884 7.020 2.291 1.00 0.00 H new ATOM 0 HA MET A 1 7.582 7.279 -0.355 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.961 7.979 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.400 6.434 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.528 5.259 -1.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.036 6.789 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.347 5.216 -1.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.557 5.977 -0.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.850 4.519 -1.112 1.00 0.00 H new ATOM 20 N SER A 2 6.901 4.905 -0.384 1.00 0.00 N ATOM 21 CA SER A 2 6.433 3.523 -0.441 1.00 0.00 C ATOM 22 C SER A 2 6.311 3.056 -1.891 1.00 0.00 C ATOM 23 O SER A 2 6.112 1.870 -2.153 1.00 0.00 O ATOM 24 CB SER A 2 5.090 3.402 0.275 1.00 0.00 C ATOM 25 OG SER A 2 5.220 3.806 1.622 1.00 0.00 O ATOM 0 H SER A 2 6.414 5.527 -1.029 1.00 0.00 H new ATOM 0 HA SER A 2 7.160 2.884 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.344 4.018 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.736 2.372 0.229 1.00 0.00 H new ATOM 0 HG SER A 2 4.353 3.726 2.072 1.00 0.00 H new ATOM 31 N ALA A 3 6.432 4.000 -2.828 1.00 0.00 N ATOM 32 CA ALA A 3 6.431 3.769 -4.262 1.00 0.00 C ATOM 33 C ALA A 3 7.229 4.903 -4.906 1.00 0.00 C ATOM 34 O ALA A 3 7.865 5.677 -4.198 1.00 0.00 O ATOM 35 CB ALA A 3 4.984 3.767 -4.769 1.00 0.00 C ATOM 0 H ALA A 3 6.537 4.986 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 3 6.881 2.808 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.976 3.594 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.425 2.976 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.521 4.730 -4.553 1.00 0.00 H new ATOM 41 N LEU A 4 7.201 5.008 -6.236 1.00 0.00 N ATOM 42 CA LEU A 4 7.795 6.122 -6.965 1.00 0.00 C ATOM 43 C LEU A 4 6.910 6.498 -8.150 1.00 0.00 C ATOM 44 O LEU A 4 7.396 6.962 -9.179 1.00 0.00 O ATOM 45 CB LEU A 4 9.231 5.786 -7.388 1.00 0.00 C ATOM 46 CG LEU A 4 10.213 5.961 -6.225 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.610 5.534 -6.645 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.311 7.432 -5.838 1.00 0.00 C ATOM 0 H LEU A 4 6.760 4.314 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 4 7.856 6.993 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.274 4.759 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.528 6.429 -8.216 1.00 0.00 H new ATOM 0 HG LEU A 4 9.849 5.356 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.297 5.664 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.596 4.486 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.941 6.146 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.012 7.545 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.663 8.010 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.329 7.794 -5.534 1.00 0.00 H new ATOM 60 N THR A 5 5.600 6.292 -8.003 1.00 0.00 N ATOM 61 CA THR A 5 4.619 6.645 -9.020 1.00 0.00 C ATOM 62 C THR A 5 4.159 8.086 -8.868 1.00 0.00 C ATOM 63 O THR A 5 3.499 8.604 -9.766 1.00 0.00 O ATOM 64 CB THR A 5 3.403 5.722 -8.912 1.00 0.00 C ATOM 65 OG1 THR A 5 3.157 5.377 -7.566 1.00 0.00 O ATOM 66 CG2 THR A 5 3.633 4.462 -9.734 1.00 0.00 C ATOM 0 H THR A 5 5.191 5.873 -7.168 1.00 0.00 H new ATOM 0 HA THR A 5 5.094 6.530 -9.994 1.00 0.00 H new ATOM 0 HB THR A 5 2.533 6.252 -9.299 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.375 4.788 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.763 3.810 -9.652 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.787 4.732 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.514 3.940 -9.361 1.00 0.00 H new ATOM 74 N GLN A 6 4.493 8.738 -7.752 1.00 0.00 N ATOM 75 CA GLN A 6 3.994 10.074 -7.471 1.00 0.00 C ATOM 76 C GLN A 6 5.115 11.073 -7.248 1.00 0.00 C ATOM 77 O GLN A 6 5.862 10.982 -6.273 1.00 0.00 O ATOM 78 CB GLN A 6 3.041 9.986 -6.285 1.00 0.00 C ATOM 79 CG GLN A 6 1.792 9.241 -6.765 1.00 0.00 C ATOM 80 CD GLN A 6 0.823 8.865 -5.658 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.883 9.365 -4.538 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.088 7.961 -5.995 1.00 0.00 N ATOM 0 H GLN A 6 5.107 8.357 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 6 3.453 10.452 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.508 9.458 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.781 10.981 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.270 9.862 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.102 8.334 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.098 7.574 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.778 7.653 -5.310 1.00 0.00 H new ATOM 91 N ILE A 7 5.214 12.029 -8.179 1.00 0.00 N ATOM 92 CA ILE A 7 6.315 12.974 -8.245 1.00 0.00 C ATOM 93 C ILE A 7 5.797 14.410 -8.173 1.00 0.00 C ATOM 94 O ILE A 7 4.863 14.769 -8.891 1.00 0.00 O ATOM 95 CB ILE A 7 7.099 12.751 -9.550 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.381 11.266 -9.836 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.413 13.529 -9.500 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.165 10.566 -8.730 1.00 0.00 C ATOM 0 H ILE A 7 4.519 12.163 -8.913 1.00 0.00 H new ATOM 0 HA ILE A 7 6.977 12.812 -7.394 1.00 0.00 H new ATOM 0 HB ILE A 7 6.473 13.116 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.434 10.747 -9.982 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.936 11.184 -10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.966 13.369 -10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.202 14.592 -9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.010 13.182 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.326 9.523 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.128 11.059 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.602 10.615 -7.798 1.00 0.00 H new ATOM 110 N LEU A 8 6.406 15.224 -7.307 1.00 0.00 N ATOM 111 CA LEU A 8 6.089 16.638 -7.177 1.00 0.00 C ATOM 112 C LEU A 8 6.983 17.424 -8.138 1.00 0.00 C ATOM 113 O LEU A 8 8.104 16.997 -8.417 1.00 0.00 O ATOM 114 CB LEU A 8 6.314 17.058 -5.716 1.00 0.00 C ATOM 115 CG LEU A 8 5.350 18.124 -5.187 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.819 18.541 -3.797 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.287 19.382 -6.042 1.00 0.00 C ATOM 0 H LEU A 8 7.140 14.911 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 8 5.049 16.841 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.234 16.173 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.333 17.431 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 8 4.356 17.676 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.147 19.301 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.817 17.674 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.829 18.947 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.583 20.087 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.275 19.839 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.958 19.122 -7.048 1.00 0.00 H new ATOM 129 N ILE A 9 6.510 18.561 -8.648 1.00 0.00 N ATOM 130 CA ILE A 9 7.271 19.382 -9.577 1.00 0.00 C ATOM 131 C ILE A 9 7.591 20.735 -8.942 1.00 0.00 C ATOM 132 O ILE A 9 6.722 21.355 -8.331 1.00 0.00 O ATOM 133 CB ILE A 9 6.465 19.553 -10.872 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.195 18.195 -11.529 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.218 20.460 -11.851 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.065 18.302 -12.553 1.00 0.00 C ATOM 0 H ILE A 9 5.587 18.935 -8.426 1.00 0.00 H new ATOM 0 HA ILE A 9 8.217 18.895 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 9 5.510 20.014 -10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.101 17.836 -12.017 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.932 17.463 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.635 20.572 -12.765 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.372 21.438 -11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.184 20.015 -12.090 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.891 17.326 -13.006 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.155 18.639 -12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.342 19.017 -13.327 1.00 0.00 H new ATOM 148 N VAL A 10 8.838 21.191 -9.095 1.00 0.00 N ATOM 149 CA VAL A 10 9.251 22.516 -8.656 1.00 0.00 C ATOM 150 C VAL A 10 10.010 23.177 -9.803 1.00 0.00 C ATOM 151 O VAL A 10 11.016 22.645 -10.276 1.00 0.00 O ATOM 152 CB VAL A 10 10.126 22.437 -7.403 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.299 23.843 -6.827 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.523 21.531 -6.326 1.00 0.00 C ATOM 0 H VAL A 10 9.585 20.648 -9.527 1.00 0.00 H new ATOM 0 HA VAL A 10 8.373 23.107 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 10 11.085 22.010 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.921 23.796 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.776 24.484 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.323 24.253 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.182 21.509 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.547 21.916 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.410 20.522 -6.721 1.00 0.00 H new ATOM 164 N GLU A 11 9.525 24.340 -10.249 1.00 0.00 N ATOM 165 CA GLU A 11 10.072 25.003 -11.422 1.00 0.00 C ATOM 166 C GLU A 11 9.907 26.521 -11.315 1.00 0.00 C ATOM 167 O GLU A 11 9.042 27.003 -10.584 1.00 0.00 O ATOM 168 CB GLU A 11 9.355 24.434 -12.652 1.00 0.00 C ATOM 169 CG GLU A 11 9.944 24.935 -13.967 1.00 0.00 C ATOM 170 CD GLU A 11 11.447 24.672 -14.048 1.00 0.00 C ATOM 171 OE1 GLU A 11 12.204 25.657 -13.913 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.821 23.495 -14.244 1.00 0.00 O ATOM 0 H GLU A 11 8.751 24.838 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 11 11.143 24.818 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.409 23.346 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.299 24.702 -12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.443 24.444 -14.801 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.755 26.004 -14.067 1.00 0.00 H new ATOM 179 N ASP A 12 10.736 27.272 -12.046 1.00 0.00 N ATOM 180 CA ASP A 12 10.754 28.728 -11.990 1.00 0.00 C ATOM 181 C ASP A 12 10.045 29.369 -13.185 1.00 0.00 C ATOM 182 O ASP A 12 9.811 30.577 -13.182 1.00 0.00 O ATOM 183 CB ASP A 12 12.208 29.194 -11.887 1.00 0.00 C ATOM 184 CG ASP A 12 12.320 30.713 -11.779 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.942 31.312 -12.686 1.00 0.00 O ATOM 186 OD2 ASP A 12 11.785 31.266 -10.793 1.00 0.00 O ATOM 0 H ASP A 12 11.416 26.879 -12.696 1.00 0.00 H new ATOM 0 HA ASP A 12 10.199 29.051 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.674 28.734 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.760 28.852 -12.762 1.00 0.00 H new ATOM 191 N GLU A 13 9.699 28.585 -14.210 1.00 0.00 N ATOM 192 CA GLU A 13 9.013 29.100 -15.389 1.00 0.00 C ATOM 193 C GLU A 13 7.830 28.198 -15.754 1.00 0.00 C ATOM 194 O GLU A 13 7.991 26.977 -15.795 1.00 0.00 O ATOM 195 CB GLU A 13 9.985 29.202 -16.567 1.00 0.00 C ATOM 196 CG GLU A 13 11.104 30.202 -16.274 1.00 0.00 C ATOM 197 CD GLU A 13 11.985 30.396 -17.506 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.818 29.498 -17.771 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.823 31.441 -18.176 1.00 0.00 O ATOM 0 H GLU A 13 9.887 27.583 -14.242 1.00 0.00 H new ATOM 0 HA GLU A 13 8.634 30.096 -15.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.414 28.222 -16.774 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.445 29.509 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.676 31.158 -15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.709 29.846 -15.440 1.00 0.00 H new ATOM 206 N PRO A 14 6.646 28.770 -16.022 1.00 0.00 N ATOM 207 CA PRO A 14 5.454 28.013 -16.378 1.00 0.00 C ATOM 208 C PRO A 14 5.632 27.168 -17.636 1.00 0.00 C ATOM 209 O PRO A 14 4.894 26.205 -17.838 1.00 0.00 O ATOM 210 CB PRO A 14 4.362 29.059 -16.606 1.00 0.00 C ATOM 211 CG PRO A 14 4.834 30.264 -15.795 1.00 0.00 C ATOM 212 CD PRO A 14 6.348 30.188 -15.959 1.00 0.00 C ATOM 0 HA PRO A 14 5.213 27.306 -15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.258 29.304 -17.663 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.390 28.703 -16.264 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.429 31.199 -16.182 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.533 30.194 -14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.674 30.701 -16.864 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.860 30.663 -15.122 1.00 0.00 H new ATOM 220 N LEU A 15 6.603 27.513 -18.490 1.00 0.00 N ATOM 221 CA LEU A 15 6.803 26.800 -19.741 1.00 0.00 C ATOM 222 C LEU A 15 7.343 25.396 -19.481 1.00 0.00 C ATOM 223 O LEU A 15 6.887 24.433 -20.094 1.00 0.00 O ATOM 224 CB LEU A 15 7.764 27.591 -20.633 1.00 0.00 C ATOM 225 CG LEU A 15 7.245 28.994 -20.954 1.00 0.00 C ATOM 226 CD1 LEU A 15 8.268 29.722 -21.827 1.00 0.00 C ATOM 227 CD2 LEU A 15 5.917 28.943 -21.705 1.00 0.00 C ATOM 0 H LEU A 15 7.257 28.280 -18.332 1.00 0.00 H new ATOM 0 HA LEU A 15 5.844 26.701 -20.250 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.732 27.670 -20.138 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.924 27.045 -21.563 1.00 0.00 H new ATOM 0 HG LEU A 15 7.092 29.519 -20.011 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.902 30.722 -22.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.215 29.796 -21.293 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.417 29.167 -22.753 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.579 29.958 -21.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.050 28.402 -22.642 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.173 28.432 -21.094 1.00 0.00 H new ATOM 239 N ILE A 16 8.312 25.275 -18.571 1.00 0.00 N ATOM 240 CA ILE A 16 8.898 23.982 -18.259 1.00 0.00 C ATOM 241 C ILE A 16 7.992 23.231 -17.286 1.00 0.00 C ATOM 242 O ILE A 16 8.007 22.003 -17.248 1.00 0.00 O ATOM 243 CB ILE A 16 10.315 24.173 -17.700 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.205 24.987 -18.653 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.965 22.815 -17.416 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.339 24.347 -20.035 1.00 0.00 C ATOM 0 H ILE A 16 8.702 26.056 -18.043 1.00 0.00 H new ATOM 0 HA ILE A 16 8.983 23.381 -19.164 1.00 0.00 H new ATOM 0 HB ILE A 16 10.222 24.733 -16.770 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.791 25.989 -18.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.196 25.097 -18.212 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.969 22.968 -17.020 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.366 22.271 -16.686 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.023 22.239 -18.340 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.979 24.967 -20.663 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.780 23.355 -19.935 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.354 24.262 -20.493 1.00 0.00 H new ATOM 258 N ALA A 17 7.196 23.959 -16.501 1.00 0.00 N ATOM 259 CA ALA A 17 6.265 23.332 -15.578 1.00 0.00 C ATOM 260 C ALA A 17 5.157 22.609 -16.342 1.00 0.00 C ATOM 261 O ALA A 17 4.630 21.605 -15.871 1.00 0.00 O ATOM 262 CB ALA A 17 5.682 24.409 -14.663 1.00 0.00 C ATOM 0 H ALA A 17 7.181 24.979 -16.490 1.00 0.00 H new ATOM 0 HA ALA A 17 6.788 22.589 -14.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.981 23.952 -13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.487 24.889 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.161 25.154 -15.264 1.00 0.00 H new ATOM 268 N MET A 18 4.800 23.115 -17.530 1.00 0.00 N ATOM 269 CA MET A 18 3.789 22.477 -18.360 1.00 0.00 C ATOM 270 C MET A 18 4.395 21.333 -19.170 1.00 0.00 C ATOM 271 O MET A 18 3.670 20.433 -19.587 1.00 0.00 O ATOM 272 CB MET A 18 3.143 23.517 -19.278 1.00 0.00 C ATOM 273 CG MET A 18 2.278 24.487 -18.468 1.00 0.00 C ATOM 274 SD MET A 18 0.838 23.717 -17.682 1.00 0.00 S ATOM 275 CE MET A 18 0.150 25.181 -16.871 1.00 0.00 C ATOM 0 H MET A 18 5.200 23.963 -17.931 1.00 0.00 H new ATOM 0 HA MET A 18 3.019 22.053 -17.716 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.916 24.069 -19.812 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.532 23.017 -20.030 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.895 24.950 -17.697 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.935 25.286 -19.125 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.754 24.905 -16.328 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.882 25.588 -16.174 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.093 25.933 -17.622 1.00 0.00 H new ATOM 285 N MET A 19 5.712 21.349 -19.399 1.00 0.00 N ATOM 286 CA MET A 19 6.373 20.227 -20.052 1.00 0.00 C ATOM 287 C MET A 19 6.485 19.048 -19.088 1.00 0.00 C ATOM 288 O MET A 19 6.373 17.899 -19.509 1.00 0.00 O ATOM 289 CB MET A 19 7.755 20.649 -20.552 1.00 0.00 C ATOM 290 CG MET A 19 7.622 21.617 -21.726 1.00 0.00 C ATOM 291 SD MET A 19 9.198 22.253 -22.358 1.00 0.00 S ATOM 292 CE MET A 19 9.936 20.711 -22.959 1.00 0.00 C ATOM 0 H MET A 19 6.330 22.119 -19.144 1.00 0.00 H new ATOM 0 HA MET A 19 5.777 19.915 -20.909 1.00 0.00 H new ATOM 0 HB2 MET A 19 8.313 21.122 -19.744 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.322 19.770 -20.859 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.096 21.114 -22.537 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.002 22.459 -21.418 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.767 20.941 -23.626 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.300 20.128 -22.113 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.185 20.135 -23.500 1.00 0.00 H new ATOM 302 N LEU A 20 6.699 19.315 -17.795 1.00 0.00 N ATOM 303 CA LEU A 20 6.768 18.253 -16.803 1.00 0.00 C ATOM 304 C LEU A 20 5.395 17.609 -16.626 1.00 0.00 C ATOM 305 O LEU A 20 5.305 16.411 -16.379 1.00 0.00 O ATOM 306 CB LEU A 20 7.279 18.816 -15.473 1.00 0.00 C ATOM 307 CG LEU A 20 8.782 18.603 -15.256 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.051 17.128 -14.969 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.614 19.064 -16.450 1.00 0.00 C ATOM 0 H LEU A 20 6.826 20.255 -17.419 1.00 0.00 H new ATOM 0 HA LEU A 20 7.463 17.487 -17.146 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.062 19.883 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.732 18.347 -14.655 1.00 0.00 H new ATOM 0 HG LEU A 20 9.082 19.212 -14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.119 16.976 -14.815 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.509 16.827 -14.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.717 16.526 -15.814 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.671 18.891 -16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.320 18.503 -17.337 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.447 20.127 -16.621 1.00 0.00 H new ATOM 321 N GLU A 21 4.322 18.394 -16.753 1.00 0.00 N ATOM 322 CA GLU A 21 2.976 17.851 -16.671 1.00 0.00 C ATOM 323 C GLU A 21 2.642 17.064 -17.938 1.00 0.00 C ATOM 324 O GLU A 21 1.804 16.166 -17.898 1.00 0.00 O ATOM 325 CB GLU A 21 1.981 19.002 -16.481 1.00 0.00 C ATOM 326 CG GLU A 21 2.042 19.577 -15.066 1.00 0.00 C ATOM 327 CD GLU A 21 1.357 18.652 -14.062 1.00 0.00 C ATOM 328 OE1 GLU A 21 1.999 17.663 -13.642 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.188 18.944 -13.719 1.00 0.00 O ATOM 0 H GLU A 21 4.365 19.401 -16.912 1.00 0.00 H new ATOM 0 HA GLU A 21 2.911 17.171 -15.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.195 19.790 -17.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.971 18.647 -16.686 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.082 19.726 -14.776 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.563 20.556 -15.048 1.00 0.00 H new ATOM 336 N ASP A 22 3.287 17.386 -19.062 1.00 0.00 N ATOM 337 CA ASP A 22 2.999 16.717 -20.319 1.00 0.00 C ATOM 338 C ASP A 22 3.715 15.371 -20.403 1.00 0.00 C ATOM 339 O ASP A 22 3.130 14.393 -20.863 1.00 0.00 O ATOM 340 CB ASP A 22 3.397 17.628 -21.480 1.00 0.00 C ATOM 341 CG ASP A 22 3.029 16.999 -22.822 1.00 0.00 C ATOM 342 OD1 ASP A 22 3.963 16.563 -23.532 1.00 0.00 O ATOM 343 OD2 ASP A 22 1.816 16.957 -23.123 1.00 0.00 O ATOM 0 H ASP A 22 4.009 18.104 -19.121 1.00 0.00 H new ATOM 0 HA ASP A 22 1.929 16.515 -20.377 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.899 18.592 -21.378 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.470 17.819 -21.446 1.00 0.00 H new ATOM 348 N PHE A 23 4.976 15.298 -19.966 1.00 0.00 N ATOM 349 CA PHE A 23 5.717 14.050 -20.044 1.00 0.00 C ATOM 350 C PHE A 23 5.251 13.043 -18.994 1.00 0.00 C ATOM 351 O PHE A 23 5.413 11.841 -19.195 1.00 0.00 O ATOM 352 CB PHE A 23 7.213 14.334 -19.924 1.00 0.00 C ATOM 353 CG PHE A 23 7.824 14.825 -21.216 1.00 0.00 C ATOM 354 CD1 PHE A 23 7.958 13.942 -22.298 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.265 16.153 -21.341 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.528 14.383 -23.498 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.821 16.597 -22.549 1.00 0.00 C ATOM 358 CZ PHE A 23 8.957 15.712 -23.627 1.00 0.00 C ATOM 0 H PHE A 23 5.493 16.079 -19.562 1.00 0.00 H new ATOM 0 HA PHE A 23 5.522 13.594 -21.015 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.375 15.079 -19.145 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.726 13.426 -19.608 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.621 12.920 -22.205 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.176 16.832 -20.506 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.638 13.698 -24.326 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.145 17.622 -22.649 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.391 16.053 -24.555 1.00 0.00 H new ATOM 368 N LEU A 24 4.672 13.499 -17.877 1.00 0.00 N ATOM 369 CA LEU A 24 4.179 12.573 -16.871 1.00 0.00 C ATOM 370 C LEU A 24 2.830 11.984 -17.284 1.00 0.00 C ATOM 371 O LEU A 24 2.471 10.904 -16.817 1.00 0.00 O ATOM 372 CB LEU A 24 4.105 13.272 -15.511 1.00 0.00 C ATOM 373 CG LEU A 24 5.496 13.609 -14.961 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.342 14.408 -13.669 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.299 12.349 -14.638 1.00 0.00 C ATOM 0 H LEU A 24 4.538 14.486 -17.656 1.00 0.00 H new ATOM 0 HA LEU A 24 4.875 11.739 -16.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.521 14.188 -15.605 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.581 12.631 -14.802 1.00 0.00 H new ATOM 0 HG LEU A 24 6.024 14.179 -15.726 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.328 14.651 -13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.796 15.329 -13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.793 13.815 -12.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.278 12.631 -14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.768 11.761 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.424 11.755 -15.543 1.00 0.00 H new ATOM 387 N GLU A 25 2.072 12.667 -18.149 1.00 0.00 N ATOM 388 CA GLU A 25 0.805 12.127 -18.634 1.00 0.00 C ATOM 389 C GLU A 25 0.996 11.202 -19.841 1.00 0.00 C ATOM 390 O GLU A 25 0.128 10.376 -20.116 1.00 0.00 O ATOM 391 CB GLU A 25 -0.155 13.267 -18.975 1.00 0.00 C ATOM 392 CG GLU A 25 -0.643 13.953 -17.698 1.00 0.00 C ATOM 393 CD GLU A 25 -1.684 15.027 -18.008 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.723 15.043 -17.309 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.447 15.830 -18.940 1.00 0.00 O ATOM 0 H GLU A 25 2.314 13.585 -18.522 1.00 0.00 H new ATOM 0 HA GLU A 25 0.375 11.524 -17.834 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.345 13.992 -19.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.006 12.879 -19.535 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.072 13.211 -17.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.203 14.403 -17.178 1.00 0.00 H new ATOM 402 N VAL A 26 2.116 11.325 -20.562 1.00 0.00 N ATOM 403 CA VAL A 26 2.386 10.470 -21.716 1.00 0.00 C ATOM 404 C VAL A 26 3.032 9.153 -21.290 1.00 0.00 C ATOM 405 O VAL A 26 2.899 8.148 -21.987 1.00 0.00 O ATOM 406 CB VAL A 26 3.251 11.233 -22.729 1.00 0.00 C ATOM 407 CG1 VAL A 26 3.674 10.336 -23.896 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.449 12.393 -23.323 1.00 0.00 C ATOM 0 H VAL A 26 2.847 12.008 -20.365 1.00 0.00 H new ATOM 0 HA VAL A 26 1.443 10.211 -22.197 1.00 0.00 H new ATOM 0 HB VAL A 26 4.134 11.586 -22.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.285 10.910 -24.593 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.251 9.493 -23.516 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.787 9.966 -24.410 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.067 12.932 -24.041 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.564 12.004 -23.826 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.145 13.071 -22.526 1.00 0.00 H new ATOM 418 N LEU A 27 3.730 9.141 -20.148 1.00 0.00 N ATOM 419 CA LEU A 27 4.366 7.935 -19.632 1.00 0.00 C ATOM 420 C LEU A 27 3.481 7.231 -18.596 1.00 0.00 C ATOM 421 O LEU A 27 3.969 6.412 -17.819 1.00 0.00 O ATOM 422 CB LEU A 27 5.769 8.247 -19.096 1.00 0.00 C ATOM 423 CG LEU A 27 6.835 8.249 -20.200 1.00 0.00 C ATOM 424 CD1 LEU A 27 6.656 9.388 -21.201 1.00 0.00 C ATOM 425 CD2 LEU A 27 8.210 8.389 -19.555 1.00 0.00 C ATOM 0 H LEU A 27 3.866 9.965 -19.562 1.00 0.00 H new ATOM 0 HA LEU A 27 4.487 7.233 -20.457 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.758 9.220 -18.605 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.037 7.510 -18.339 1.00 0.00 H new ATOM 0 HG LEU A 27 6.734 7.311 -20.746 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.440 9.335 -21.956 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.682 9.300 -21.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.718 10.343 -20.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.977 8.392 -20.330 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.256 9.323 -18.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.381 7.552 -18.878 1.00 0.00 H new ATOM 437 N ASP A 28 2.182 7.548 -18.582 1.00 0.00 N ATOM 438 CA ASP A 28 1.215 6.944 -17.667 1.00 0.00 C ATOM 439 C ASP A 28 1.646 7.062 -16.201 1.00 0.00 C ATOM 440 O ASP A 28 1.380 6.176 -15.388 1.00 0.00 O ATOM 441 CB ASP A 28 0.912 5.508 -18.107 1.00 0.00 C ATOM 442 CG ASP A 28 -0.285 4.921 -17.360 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.167 3.760 -16.907 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.309 5.633 -17.250 1.00 0.00 O ATOM 0 H ASP A 28 1.771 8.237 -19.212 1.00 0.00 H new ATOM 0 HA ASP A 28 0.282 7.504 -17.721 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.714 5.491 -19.179 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.789 4.883 -17.935 1.00 0.00 H new ATOM 449 N LYS A 29 2.316 8.166 -15.864 1.00 0.00 N ATOM 450 CA LYS A 29 2.792 8.448 -14.517 1.00 0.00 C ATOM 451 C LYS A 29 1.669 9.113 -13.718 1.00 0.00 C ATOM 452 O LYS A 29 0.711 9.613 -14.305 1.00 0.00 O ATOM 453 CB LYS A 29 4.027 9.350 -14.624 1.00 0.00 C ATOM 454 CG LYS A 29 5.230 8.814 -13.850 1.00 0.00 C ATOM 455 CD LYS A 29 4.958 8.789 -12.349 1.00 0.00 C ATOM 456 CE LYS A 29 6.252 8.538 -11.574 1.00 0.00 C ATOM 457 NZ LYS A 29 6.856 7.236 -11.918 1.00 0.00 N ATOM 0 H LYS A 29 2.545 8.899 -16.535 1.00 0.00 H new ATOM 0 HA LYS A 29 3.073 7.533 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.298 9.461 -15.674 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.777 10.344 -14.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.468 7.808 -14.195 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.102 9.436 -14.053 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.519 9.737 -12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.232 8.010 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.963 9.336 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.047 8.572 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.215 6.781 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.138 6.626 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.641 7.383 -12.584 1.00 0.00 H new ATOM 471 N THR A 30 1.772 9.127 -12.385 1.00 0.00 N ATOM 472 CA THR A 30 0.757 9.746 -11.536 1.00 0.00 C ATOM 473 C THR A 30 1.317 11.003 -10.865 1.00 0.00 C ATOM 474 O THR A 30 1.791 10.933 -9.736 1.00 0.00 O ATOM 475 CB THR A 30 0.242 8.732 -10.504 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.212 7.574 -11.174 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.939 9.309 -9.723 1.00 0.00 C ATOM 0 H THR A 30 2.552 8.715 -11.873 1.00 0.00 H new ATOM 0 HA THR A 30 -0.088 10.052 -12.153 1.00 0.00 H new ATOM 0 HB THR A 30 1.058 8.497 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.540 6.924 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.289 8.575 -8.997 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.624 10.213 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.748 9.551 -10.413 1.00 0.00 H new ATOM 485 N PRO A 31 1.276 12.167 -11.532 1.00 0.00 N ATOM 486 CA PRO A 31 1.736 13.421 -10.955 1.00 0.00 C ATOM 487 C PRO A 31 0.834 13.823 -9.790 1.00 0.00 C ATOM 488 O PRO A 31 -0.317 13.390 -9.724 1.00 0.00 O ATOM 489 CB PRO A 31 1.680 14.436 -12.097 1.00 0.00 C ATOM 490 CG PRO A 31 0.580 13.884 -12.999 1.00 0.00 C ATOM 491 CD PRO A 31 0.772 12.373 -12.875 1.00 0.00 C ATOM 0 HA PRO A 31 2.745 13.351 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.441 15.436 -11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.633 14.506 -12.621 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.410 14.195 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.692 14.223 -14.029 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.167 11.842 -13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.475 12.002 -13.621 1.00 0.00 H new ATOM 499 N VAL A 32 1.346 14.648 -8.869 1.00 0.00 N ATOM 500 CA VAL A 32 0.607 14.997 -7.660 1.00 0.00 C ATOM 501 C VAL A 32 0.571 16.499 -7.380 1.00 0.00 C ATOM 502 O VAL A 32 -0.162 16.919 -6.485 1.00 0.00 O ATOM 503 CB VAL A 32 1.183 14.242 -6.458 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.099 12.737 -6.691 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.645 14.606 -6.201 1.00 0.00 C ATOM 0 H VAL A 32 2.266 15.083 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.427 14.695 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 32 0.590 14.531 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.512 12.212 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.057 12.448 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.668 12.475 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.013 14.048 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.242 14.356 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.724 15.675 -6.001 1.00 0.00 H new ATOM 515 N GLY A 33 1.335 17.319 -8.109 1.00 0.00 N ATOM 516 CA GLY A 33 1.281 18.759 -7.912 1.00 0.00 C ATOM 517 C GLY A 33 2.463 19.493 -8.534 1.00 0.00 C ATOM 518 O GLY A 33 3.401 18.870 -9.029 1.00 0.00 O ATOM 0 H GLY A 33 1.987 17.010 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.356 19.144 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.250 18.972 -6.844 1.00 0.00 H new ATOM 522 N THR A 34 2.397 20.826 -8.494 1.00 0.00 N ATOM 523 CA THR A 34 3.455 21.714 -8.964 1.00 0.00 C ATOM 524 C THR A 34 3.519 22.937 -8.053 1.00 0.00 C ATOM 525 O THR A 34 2.480 23.442 -7.627 1.00 0.00 O ATOM 526 CB THR A 34 3.175 22.152 -10.405 1.00 0.00 C ATOM 527 OG1 THR A 34 3.071 21.026 -11.247 1.00 0.00 O ATOM 528 CG2 THR A 34 4.301 23.040 -10.936 1.00 0.00 C ATOM 0 H THR A 34 1.588 21.326 -8.125 1.00 0.00 H new ATOM 0 HA THR A 34 4.409 21.187 -8.940 1.00 0.00 H new ATOM 0 HB THR A 34 2.239 22.710 -10.401 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.890 21.319 -12.165 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.078 23.337 -11.961 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.389 23.929 -10.311 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.241 22.488 -10.915 1.00 0.00 H new ATOM 536 N VAL A 35 4.729 23.414 -7.755 1.00 0.00 N ATOM 537 CA VAL A 35 4.933 24.581 -6.903 1.00 0.00 C ATOM 538 C VAL A 35 6.065 25.458 -7.434 1.00 0.00 C ATOM 539 O VAL A 35 6.881 25.015 -8.239 1.00 0.00 O ATOM 540 CB VAL A 35 5.200 24.154 -5.452 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.975 23.473 -4.840 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.376 23.186 -5.359 1.00 0.00 C ATOM 0 H VAL A 35 5.595 22.999 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 35 4.019 25.175 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 35 5.432 25.066 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.195 23.182 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.132 24.164 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.723 22.586 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.535 22.906 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.160 22.293 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.274 23.666 -5.747 1.00 0.00 H new ATOM 552 N ASP A 36 6.107 26.712 -6.974 1.00 0.00 N ATOM 553 CA ASP A 36 7.081 27.703 -7.422 1.00 0.00 C ATOM 554 C ASP A 36 8.304 27.756 -6.503 1.00 0.00 C ATOM 555 O ASP A 36 9.311 28.372 -6.850 1.00 0.00 O ATOM 556 CB ASP A 36 6.376 29.058 -7.482 1.00 0.00 C ATOM 557 CG ASP A 36 7.335 30.204 -7.791 1.00 0.00 C ATOM 558 OD1 ASP A 36 7.858 30.242 -8.927 1.00 0.00 O ATOM 559 OD2 ASP A 36 7.540 31.038 -6.882 1.00 0.00 O ATOM 0 H ASP A 36 5.457 27.068 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 36 7.455 27.428 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.597 29.025 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.882 29.249 -6.529 1.00 0.00 H new ATOM 564 N THR A 37 8.235 27.117 -5.333 1.00 0.00 N ATOM 565 CA THR A 37 9.326 27.136 -4.368 1.00 0.00 C ATOM 566 C THR A 37 9.351 25.840 -3.565 1.00 0.00 C ATOM 567 O THR A 37 8.341 25.147 -3.465 1.00 0.00 O ATOM 568 CB THR A 37 9.193 28.359 -3.451 1.00 0.00 C ATOM 569 OG1 THR A 37 10.251 28.375 -2.517 1.00 0.00 O ATOM 570 CG2 THR A 37 7.874 28.351 -2.683 1.00 0.00 C ATOM 0 H THR A 37 7.424 26.576 -5.033 1.00 0.00 H new ATOM 0 HA THR A 37 10.273 27.212 -4.902 1.00 0.00 H new ATOM 0 HB THR A 37 9.224 29.244 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.162 29.159 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.819 29.233 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.043 28.360 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.817 27.454 -2.067 1.00 0.00 H new ATOM 578 N VAL A 38 10.510 25.516 -2.990 1.00 0.00 N ATOM 579 CA VAL A 38 10.695 24.281 -2.239 1.00 0.00 C ATOM 580 C VAL A 38 9.943 24.353 -0.910 1.00 0.00 C ATOM 581 O VAL A 38 9.617 23.322 -0.326 1.00 0.00 O ATOM 582 CB VAL A 38 12.190 24.029 -2.010 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.421 22.597 -1.530 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.978 24.210 -3.305 1.00 0.00 C ATOM 0 H VAL A 38 11.343 26.103 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 38 10.289 23.448 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 38 12.527 24.746 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.487 22.434 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.887 22.436 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.054 21.898 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.036 24.026 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.615 23.506 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.847 25.228 -3.671 1.00 0.00 H new ATOM 594 N ALA A 39 9.658 25.562 -0.422 1.00 0.00 N ATOM 595 CA ALA A 39 8.873 25.722 0.790 1.00 0.00 C ATOM 596 C ALA A 39 7.433 25.272 0.543 1.00 0.00 C ATOM 597 O ALA A 39 6.742 24.862 1.474 1.00 0.00 O ATOM 598 CB ALA A 39 8.926 27.185 1.220 1.00 0.00 C ATOM 0 H ALA A 39 9.960 26.437 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 39 9.283 25.103 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.340 27.318 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.961 27.471 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.515 27.812 0.429 1.00 0.00 H new ATOM 604 N GLY A 40 6.978 25.348 -0.715 1.00 0.00 N ATOM 605 CA GLY A 40 5.657 24.881 -1.097 1.00 0.00 C ATOM 606 C GLY A 40 5.665 23.367 -1.276 1.00 0.00 C ATOM 607 O GLY A 40 4.633 22.720 -1.119 1.00 0.00 O ATOM 0 H GLY A 40 7.520 25.735 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.930 25.160 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.347 25.363 -2.025 1.00 0.00 H new ATOM 611 N ALA A 41 6.829 22.795 -1.600 1.00 0.00 N ATOM 612 CA ALA A 41 6.962 21.353 -1.730 1.00 0.00 C ATOM 613 C ALA A 41 6.942 20.705 -0.350 1.00 0.00 C ATOM 614 O ALA A 41 6.486 19.573 -0.202 1.00 0.00 O ATOM 615 CB ALA A 41 8.264 21.032 -2.465 1.00 0.00 C ATOM 0 H ALA A 41 7.689 23.315 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 41 6.126 20.954 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.368 19.952 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.245 21.488 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.108 21.427 -1.900 1.00 0.00 H new ATOM 621 N LEU A 42 7.430 21.417 0.671 1.00 0.00 N ATOM 622 CA LEU A 42 7.410 20.930 2.040 1.00 0.00 C ATOM 623 C LEU A 42 5.977 20.974 2.563 1.00 0.00 C ATOM 624 O LEU A 42 5.559 20.084 3.301 1.00 0.00 O ATOM 625 CB LEU A 42 8.384 21.795 2.853 1.00 0.00 C ATOM 626 CG LEU A 42 8.619 21.368 4.309 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.503 21.837 5.239 1.00 0.00 C ATOM 628 CD2 LEU A 42 8.794 19.855 4.439 1.00 0.00 C ATOM 0 H LEU A 42 7.847 22.342 0.565 1.00 0.00 H new ATOM 0 HA LEU A 42 7.735 19.893 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.345 21.803 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.014 22.820 2.852 1.00 0.00 H new ATOM 0 HG LEU A 42 9.545 21.855 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.716 21.510 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.441 22.925 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.554 21.411 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.958 19.596 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.897 19.353 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.652 19.536 3.848 1.00 0.00 H new ATOM 640 N ALA A 43 5.217 22.007 2.186 1.00 0.00 N ATOM 641 CA ALA A 43 3.832 22.141 2.607 1.00 0.00 C ATOM 642 C ALA A 43 2.954 21.064 1.963 1.00 0.00 C ATOM 643 O ALA A 43 1.909 20.717 2.508 1.00 0.00 O ATOM 644 CB ALA A 43 3.338 23.538 2.234 1.00 0.00 C ATOM 0 H ALA A 43 5.547 22.763 1.586 1.00 0.00 H new ATOM 0 HA ALA A 43 3.768 22.006 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.299 23.652 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.951 24.287 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.411 23.674 1.155 1.00 0.00 H new ATOM 650 N ARG A 44 3.369 20.529 0.808 1.00 0.00 N ATOM 651 CA ARG A 44 2.651 19.452 0.144 1.00 0.00 C ATOM 652 C ARG A 44 3.060 18.091 0.706 1.00 0.00 C ATOM 653 O ARG A 44 2.300 17.134 0.586 1.00 0.00 O ATOM 654 CB ARG A 44 2.915 19.524 -1.364 1.00 0.00 C ATOM 655 CG ARG A 44 2.194 20.706 -2.019 1.00 0.00 C ATOM 656 CD ARG A 44 0.673 20.569 -1.938 1.00 0.00 C ATOM 657 NE ARG A 44 0.215 19.319 -2.561 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.622 18.446 -1.989 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.135 18.671 -0.782 1.00 0.00 N ATOM 660 NH2 ARG A 44 -0.953 17.329 -2.631 1.00 0.00 N ATOM 0 H ARG A 44 4.209 20.834 0.315 1.00 0.00 H new ATOM 0 HA ARG A 44 1.583 19.570 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.987 19.611 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.589 18.596 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.501 21.632 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.496 20.780 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.359 20.594 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.202 21.418 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 44 0.560 19.102 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.892 19.522 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.771 17.992 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.569 17.140 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.591 16.662 -2.197 1.00 0.00 H new ATOM 674 N VAL A 45 4.244 18.000 1.319 1.00 0.00 N ATOM 675 CA VAL A 45 4.697 16.775 1.972 1.00 0.00 C ATOM 676 C VAL A 45 4.071 16.674 3.360 1.00 0.00 C ATOM 677 O VAL A 45 3.979 15.580 3.917 1.00 0.00 O ATOM 678 CB VAL A 45 6.227 16.772 2.013 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.781 15.699 2.952 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.758 16.490 0.610 1.00 0.00 C ATOM 0 H VAL A 45 4.910 18.771 1.375 1.00 0.00 H new ATOM 0 HA VAL A 45 4.378 15.895 1.413 1.00 0.00 H new ATOM 0 HB VAL A 45 6.547 17.748 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.870 15.738 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.417 15.878 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.451 14.716 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.848 16.486 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.397 15.519 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.409 17.264 -0.073 1.00 0.00 H new ATOM 690 N GLU A 46 3.638 17.804 3.927 1.00 0.00 N ATOM 691 CA GLU A 46 2.954 17.820 5.211 1.00 0.00 C ATOM 692 C GLU A 46 1.542 17.238 5.070 1.00 0.00 C ATOM 693 O GLU A 46 0.895 16.904 6.060 1.00 0.00 O ATOM 694 CB GLU A 46 2.926 19.263 5.725 1.00 0.00 C ATOM 695 CG GLU A 46 2.568 19.346 7.210 1.00 0.00 C ATOM 696 CD GLU A 46 3.633 18.665 8.065 1.00 0.00 C ATOM 697 OE1 GLU A 46 4.651 19.327 8.365 1.00 0.00 O ATOM 698 OE2 GLU A 46 3.431 17.482 8.415 1.00 0.00 O ATOM 0 H GLU A 46 3.754 18.726 3.506 1.00 0.00 H new ATOM 0 HA GLU A 46 3.483 17.197 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.901 19.723 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.202 19.838 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.470 20.390 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.601 18.874 7.382 1.00 0.00 H new ATOM 705 N ASP A 47 1.069 17.117 3.825 1.00 0.00 N ATOM 706 CA ASP A 47 -0.232 16.553 3.498 1.00 0.00 C ATOM 707 C ASP A 47 -0.091 15.098 3.038 1.00 0.00 C ATOM 708 O ASP A 47 -1.086 14.380 2.939 1.00 0.00 O ATOM 709 CB ASP A 47 -0.870 17.433 2.419 1.00 0.00 C ATOM 710 CG ASP A 47 -2.271 16.971 2.026 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.134 16.919 2.930 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.461 16.676 0.825 1.00 0.00 O ATOM 0 H ASP A 47 1.596 17.416 3.004 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.875 16.539 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.920 18.461 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.232 17.435 1.535 1.00 0.00 H new ATOM 717 N GLY A 48 1.142 14.663 2.759 1.00 0.00 N ATOM 718 CA GLY A 48 1.418 13.312 2.293 1.00 0.00 C ATOM 719 C GLY A 48 0.955 13.109 0.853 1.00 0.00 C ATOM 720 O GLY A 48 0.620 14.068 0.157 1.00 0.00 O ATOM 0 H GLY A 48 1.975 15.244 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.487 13.114 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.917 12.593 2.942 1.00 0.00 H new ATOM 724 N GLY A 49 0.938 11.852 0.398 1.00 0.00 N ATOM 725 CA GLY A 49 0.506 11.520 -0.952 1.00 0.00 C ATOM 726 C GLY A 49 1.599 11.783 -1.991 1.00 0.00 C ATOM 727 O GLY A 49 1.292 11.974 -3.166 1.00 0.00 O ATOM 0 H GLY A 49 1.222 11.046 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.216 10.470 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.379 12.105 -1.202 1.00 0.00 H new ATOM 731 N ILE A 50 2.867 11.796 -1.569 1.00 0.00 N ATOM 732 CA ILE A 50 3.998 12.042 -2.456 1.00 0.00 C ATOM 733 C ILE A 50 5.108 11.036 -2.152 1.00 0.00 C ATOM 734 O ILE A 50 5.265 10.619 -1.006 1.00 0.00 O ATOM 735 CB ILE A 50 4.491 13.489 -2.295 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.302 14.457 -2.387 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.541 13.802 -3.366 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.726 15.924 -2.362 1.00 0.00 C ATOM 0 H ILE A 50 3.134 11.635 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 50 3.689 11.912 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 50 4.955 13.610 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.750 14.259 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.620 14.267 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.887 14.829 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.385 13.120 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.099 13.680 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.843 16.559 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.254 16.134 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.385 16.127 -3.206 1.00 0.00 H new ATOM 750 N ASP A 51 5.880 10.648 -3.173 1.00 0.00 N ATOM 751 CA ASP A 51 6.958 9.683 -3.015 1.00 0.00 C ATOM 752 C ASP A 51 8.313 10.274 -3.399 1.00 0.00 C ATOM 753 O ASP A 51 9.332 9.871 -2.841 1.00 0.00 O ATOM 754 CB ASP A 51 6.653 8.460 -3.873 1.00 0.00 C ATOM 755 CG ASP A 51 5.639 7.544 -3.193 1.00 0.00 C ATOM 756 OD1 ASP A 51 6.001 6.955 -2.148 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.510 7.440 -3.723 1.00 0.00 O ATOM 0 H ASP A 51 5.771 10.996 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 51 7.019 9.401 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.266 8.779 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.574 7.909 -4.064 1.00 0.00 H new ATOM 762 N ALA A 52 8.338 11.222 -4.341 1.00 0.00 N ATOM 763 CA ALA A 52 9.560 11.896 -4.748 1.00 0.00 C ATOM 764 C ALA A 52 9.222 13.234 -5.408 1.00 0.00 C ATOM 765 O ALA A 52 8.052 13.578 -5.545 1.00 0.00 O ATOM 766 CB ALA A 52 10.334 10.992 -5.711 1.00 0.00 C ATOM 0 H ALA A 52 7.506 11.539 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 52 10.182 12.097 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.252 11.492 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.581 10.055 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.721 10.785 -6.588 1.00 0.00 H new ATOM 772 N ALA A 53 10.239 13.995 -5.821 1.00 0.00 N ATOM 773 CA ALA A 53 10.018 15.276 -6.472 1.00 0.00 C ATOM 774 C ALA A 53 11.147 15.628 -7.442 1.00 0.00 C ATOM 775 O ALA A 53 12.234 15.053 -7.385 1.00 0.00 O ATOM 776 CB ALA A 53 9.889 16.355 -5.398 1.00 0.00 C ATOM 0 H ALA A 53 11.221 13.741 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 53 9.102 15.213 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.723 17.322 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.047 16.121 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.805 16.393 -4.808 1.00 0.00 H new ATOM 782 N ILE A 54 10.873 16.587 -8.330 1.00 0.00 N ATOM 783 CA ILE A 54 11.851 17.162 -9.243 1.00 0.00 C ATOM 784 C ILE A 54 12.055 18.616 -8.833 1.00 0.00 C ATOM 785 O ILE A 54 11.094 19.297 -8.477 1.00 0.00 O ATOM 786 CB ILE A 54 11.369 17.056 -10.697 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.066 15.610 -11.109 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.411 17.659 -11.642 1.00 0.00 C ATOM 789 CD1 ILE A 54 12.278 14.682 -11.015 1.00 0.00 C ATOM 0 H ILE A 54 9.942 16.991 -8.433 1.00 0.00 H new ATOM 0 HA ILE A 54 12.795 16.619 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 54 10.437 17.617 -10.768 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.269 15.220 -10.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.692 15.603 -12.133 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.059 17.579 -12.671 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.565 18.709 -11.392 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.352 17.120 -11.537 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.991 13.676 -11.321 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.069 15.049 -11.670 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.640 14.659 -9.987 1.00 0.00 H new ATOM 801 N LEU A 55 13.297 19.097 -8.876 1.00 0.00 N ATOM 802 CA LEU A 55 13.624 20.432 -8.408 1.00 0.00 C ATOM 803 C LEU A 55 14.647 21.095 -9.321 1.00 0.00 C ATOM 804 O LEU A 55 15.685 20.509 -9.627 1.00 0.00 O ATOM 805 CB LEU A 55 14.146 20.308 -6.973 1.00 0.00 C ATOM 806 CG LEU A 55 14.637 21.635 -6.390 1.00 0.00 C ATOM 807 CD1 LEU A 55 13.544 22.699 -6.436 1.00 0.00 C ATOM 808 CD2 LEU A 55 15.031 21.409 -4.933 1.00 0.00 C ATOM 0 H LEU A 55 14.095 18.573 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 55 12.739 21.068 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.353 19.912 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.962 19.586 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 55 15.485 21.981 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.924 23.630 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.242 22.866 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.684 22.363 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.384 22.346 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.166 21.055 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.826 20.665 -4.882 1.00 0.00 H new ATOM 820 N ASP A 56 14.359 22.322 -9.757 1.00 0.00 N ATOM 821 CA ASP A 56 15.299 23.094 -10.550 1.00 0.00 C ATOM 822 C ASP A 56 16.338 23.762 -9.646 1.00 0.00 C ATOM 823 O ASP A 56 16.075 24.025 -8.473 1.00 0.00 O ATOM 824 CB ASP A 56 14.554 24.127 -11.392 1.00 0.00 C ATOM 825 CG ASP A 56 14.003 25.268 -10.539 1.00 0.00 C ATOM 826 OD1 ASP A 56 12.999 25.031 -9.830 1.00 0.00 O ATOM 827 OD2 ASP A 56 14.596 26.367 -10.607 1.00 0.00 O ATOM 0 H ASP A 56 13.477 22.799 -9.570 1.00 0.00 H new ATOM 0 HA ASP A 56 15.827 22.422 -11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.226 24.532 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.734 23.641 -11.921 1.00 0.00 H new ATOM 832 N VAL A 57 17.524 24.041 -10.192 1.00 0.00 N ATOM 833 CA VAL A 57 18.592 24.720 -9.464 1.00 0.00 C ATOM 834 C VAL A 57 18.543 26.223 -9.749 1.00 0.00 C ATOM 835 O VAL A 57 19.209 27.012 -9.079 1.00 0.00 O ATOM 836 CB VAL A 57 19.941 24.101 -9.851 1.00 0.00 C ATOM 837 CG1 VAL A 57 21.086 24.692 -9.032 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.930 22.589 -9.604 1.00 0.00 C ATOM 0 H VAL A 57 17.769 23.801 -11.153 1.00 0.00 H new ATOM 0 HA VAL A 57 18.459 24.590 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 57 20.093 24.319 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.026 24.229 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.139 25.767 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.912 24.502 -7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.895 22.167 -9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.742 22.394 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.145 22.128 -10.203 1.00 0.00 H new ATOM 848 N ASN A 58 17.753 26.622 -10.750 1.00 0.00 N ATOM 849 CA ASN A 58 17.628 28.004 -11.192 1.00 0.00 C ATOM 850 C ASN A 58 16.687 28.812 -10.290 1.00 0.00 C ATOM 851 O ASN A 58 16.061 29.769 -10.747 1.00 0.00 O ATOM 852 CB ASN A 58 17.189 28.028 -12.659 1.00 0.00 C ATOM 853 CG ASN A 58 18.118 27.196 -13.533 1.00 0.00 C ATOM 854 OD1 ASN A 58 17.761 26.107 -13.970 1.00 0.00 O ATOM 855 ND2 ASN A 58 19.319 27.704 -13.795 1.00 0.00 N ATOM 0 H ASN A 58 17.172 25.975 -11.284 1.00 0.00 H new ATOM 0 HA ASN A 58 18.601 28.489 -11.113 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.171 27.646 -12.742 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.174 29.057 -13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.977 27.185 -14.376 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.582 28.613 -13.415 1.00 0.00 H new ATOM 862 N LEU A 59 16.585 28.430 -9.012 1.00 0.00 N ATOM 863 CA LEU A 59 15.729 29.099 -8.043 1.00 0.00 C ATOM 864 C LEU A 59 16.121 30.569 -7.904 1.00 0.00 C ATOM 865 O LEU A 59 17.263 30.950 -8.172 1.00 0.00 O ATOM 866 CB LEU A 59 15.842 28.400 -6.685 1.00 0.00 C ATOM 867 CG LEU A 59 15.375 26.940 -6.720 1.00 0.00 C ATOM 868 CD1 LEU A 59 15.632 26.304 -5.356 1.00 0.00 C ATOM 869 CD2 LEU A 59 13.883 26.843 -7.027 1.00 0.00 C ATOM 0 H LEU A 59 17.101 27.640 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 59 14.698 29.047 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.879 28.436 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.250 28.947 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 59 15.928 26.423 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.303 25.265 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 59 16.698 26.344 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.079 26.849 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.583 25.795 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.318 27.369 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.681 27.295 -7.998 1.00 0.00 H new ATOM 881 N ARG A 60 15.167 31.401 -7.477 1.00 0.00 N ATOM 882 CA ARG A 60 15.401 32.827 -7.306 1.00 0.00 C ATOM 883 C ARG A 60 16.088 33.082 -5.968 1.00 0.00 C ATOM 884 O ARG A 60 15.808 32.396 -4.985 1.00 0.00 O ATOM 885 CB ARG A 60 14.083 33.595 -7.431 1.00 0.00 C ATOM 886 CG ARG A 60 13.394 33.255 -8.755 1.00 0.00 C ATOM 887 CD ARG A 60 12.156 34.127 -8.972 1.00 0.00 C ATOM 888 NE ARG A 60 11.180 33.989 -7.879 1.00 0.00 N ATOM 889 CZ ARG A 60 10.235 33.045 -7.810 1.00 0.00 C ATOM 890 NH1 ARG A 60 10.128 32.104 -8.741 1.00 0.00 N ATOM 891 NH2 ARG A 60 9.382 33.043 -6.793 1.00 0.00 N ATOM 0 H ARG A 60 14.220 31.103 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 60 16.064 33.188 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.427 33.344 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.272 34.667 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.093 33.399 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.107 32.203 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.459 35.171 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.683 33.855 -9.916 1.00 0.00 H new ATOM 0 HE ARG A 60 11.228 34.665 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.775 32.091 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.399 31.394 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.449 33.759 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.659 32.326 -6.735 1.00 0.00 H new ATOM 905 N GLY A 61 16.983 34.073 -5.928 1.00 0.00 N ATOM 906 CA GLY A 61 17.751 34.381 -4.733 1.00 0.00 C ATOM 907 C GLY A 61 18.730 33.256 -4.393 1.00 0.00 C ATOM 908 O GLY A 61 18.873 32.292 -5.143 1.00 0.00 O ATOM 0 H GLY A 61 17.190 34.678 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 61 18.300 35.311 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.073 34.541 -3.894 1.00 0.00 H new ATOM 912 N GLY A 62 19.410 33.379 -3.248 1.00 0.00 N ATOM 913 CA GLY A 62 20.359 32.371 -2.792 1.00 0.00 C ATOM 914 C GLY A 62 21.576 32.283 -3.707 1.00 0.00 C ATOM 915 O GLY A 62 21.833 33.183 -4.505 1.00 0.00 O ATOM 0 H GLY A 62 19.316 34.176 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 62 20.683 32.609 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.865 31.400 -2.749 1.00 0.00 H new ATOM 919 N GLU A 63 22.329 31.188 -3.587 1.00 0.00 N ATOM 920 CA GLU A 63 23.527 30.958 -4.384 1.00 0.00 C ATOM 921 C GLU A 63 23.446 29.604 -5.090 1.00 0.00 C ATOM 922 O GLU A 63 24.186 28.676 -4.765 1.00 0.00 O ATOM 923 CB GLU A 63 24.772 31.104 -3.497 1.00 0.00 C ATOM 924 CG GLU A 63 24.696 30.265 -2.219 1.00 0.00 C ATOM 925 CD GLU A 63 25.960 30.445 -1.378 1.00 0.00 C ATOM 926 OE1 GLU A 63 26.908 29.650 -1.574 1.00 0.00 O ATOM 927 OE2 GLU A 63 25.974 31.377 -0.542 1.00 0.00 O ATOM 0 H GLU A 63 22.121 30.435 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 63 23.603 31.709 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.654 30.810 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.900 32.153 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 63 23.822 30.558 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 24.571 29.213 -2.476 1.00 0.00 H new ATOM 934 N LYS A 64 22.535 29.500 -6.065 1.00 0.00 N ATOM 935 CA LYS A 64 22.326 28.291 -6.862 1.00 0.00 C ATOM 936 C LYS A 64 22.181 27.035 -6.000 1.00 0.00 C ATOM 937 O LYS A 64 22.530 25.941 -6.437 1.00 0.00 O ATOM 938 CB LYS A 64 23.426 28.153 -7.919 1.00 0.00 C ATOM 939 CG LYS A 64 23.446 29.369 -8.849 1.00 0.00 C ATOM 940 CD LYS A 64 24.517 29.194 -9.925 1.00 0.00 C ATOM 941 CE LYS A 64 24.529 30.420 -10.835 1.00 0.00 C ATOM 942 NZ LYS A 64 25.551 30.285 -11.889 1.00 0.00 N ATOM 0 H LYS A 64 21.914 30.267 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 64 21.374 28.396 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 64 24.395 28.048 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 64 23.264 27.247 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.469 29.495 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 64 23.643 30.273 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 25.495 29.062 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.317 28.296 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.547 30.549 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.727 31.314 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.539 31.131 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.489 30.185 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 25.346 29.444 -12.465 1.00 0.00 H new ATOM 956 N SER A 65 21.670 27.187 -4.774 1.00 0.00 N ATOM 957 CA SER A 65 21.487 26.076 -3.851 1.00 0.00 C ATOM 958 C SER A 65 20.329 26.374 -2.901 1.00 0.00 C ATOM 959 O SER A 65 19.925 27.530 -2.760 1.00 0.00 O ATOM 960 CB SER A 65 22.777 25.855 -3.065 1.00 0.00 C ATOM 961 OG SER A 65 22.643 24.732 -2.217 1.00 0.00 O ATOM 0 H SER A 65 21.373 28.088 -4.399 1.00 0.00 H new ATOM 0 HA SER A 65 21.251 25.171 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.609 25.704 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 65 23.008 26.741 -2.474 1.00 0.00 H new ATOM 0 HG SER A 65 23.476 24.597 -1.718 1.00 0.00 H new ATOM 967 N THR A 66 19.796 25.338 -2.249 1.00 0.00 N ATOM 968 CA THR A 66 18.711 25.480 -1.288 1.00 0.00 C ATOM 969 C THR A 66 18.836 24.435 -0.179 1.00 0.00 C ATOM 970 O THR A 66 19.067 23.261 -0.457 1.00 0.00 O ATOM 971 CB THR A 66 17.358 25.363 -1.998 1.00 0.00 C ATOM 972 OG1 THR A 66 16.331 25.370 -1.032 1.00 0.00 O ATOM 973 CG2 THR A 66 17.236 24.086 -2.828 1.00 0.00 C ATOM 0 H THR A 66 20.109 24.376 -2.376 1.00 0.00 H new ATOM 0 HA THR A 66 18.776 26.467 -0.830 1.00 0.00 H new ATOM 0 HB THR A 66 17.274 26.211 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.462 25.297 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.258 24.056 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.015 24.072 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.348 23.218 -2.179 1.00 0.00 H new ATOM 981 N PRO A 67 18.683 24.849 1.086 1.00 0.00 N ATOM 982 CA PRO A 67 18.751 23.963 2.236 1.00 0.00 C ATOM 983 C PRO A 67 17.429 23.228 2.461 1.00 0.00 C ATOM 984 O PRO A 67 17.376 22.282 3.246 1.00 0.00 O ATOM 985 CB PRO A 67 19.052 24.897 3.408 1.00 0.00 C ATOM 986 CG PRO A 67 18.277 26.156 3.028 1.00 0.00 C ATOM 987 CD PRO A 67 18.462 26.223 1.511 1.00 0.00 C ATOM 0 HA PRO A 67 19.503 23.184 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.713 24.481 4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.120 25.092 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.225 26.082 3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.675 27.041 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.582 26.647 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.308 26.857 1.246 1.00 0.00 H new ATOM 995 N VAL A 68 16.356 23.647 1.781 1.00 0.00 N ATOM 996 CA VAL A 68 15.032 23.074 1.999 1.00 0.00 C ATOM 997 C VAL A 68 14.902 21.725 1.294 1.00 0.00 C ATOM 998 O VAL A 68 14.066 20.905 1.677 1.00 0.00 O ATOM 999 CB VAL A 68 13.956 24.064 1.531 1.00 0.00 C ATOM 1000 CG1 VAL A 68 12.568 23.601 1.980 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.197 25.450 2.131 1.00 0.00 C ATOM 0 H VAL A 68 16.383 24.382 1.075 1.00 0.00 H new ATOM 0 HA VAL A 68 14.891 22.894 3.065 1.00 0.00 H new ATOM 0 HB VAL A 68 14.009 24.109 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.818 24.315 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.356 22.621 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.540 23.537 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.423 26.135 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.166 25.386 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.174 25.818 1.816 1.00 0.00 H new ATOM 1011 N ALA A 69 15.719 21.478 0.267 1.00 0.00 N ATOM 1012 CA ALA A 69 15.691 20.197 -0.421 1.00 0.00 C ATOM 1013 C ALA A 69 16.098 19.087 0.547 1.00 0.00 C ATOM 1014 O ALA A 69 15.608 17.965 0.457 1.00 0.00 O ATOM 1015 CB ALA A 69 16.652 20.250 -1.608 1.00 0.00 C ATOM 0 H ALA A 69 16.399 22.144 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 69 14.685 19.989 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.638 19.293 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.343 21.041 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.661 20.453 -1.250 1.00 0.00 H new ATOM 1021 N GLU A 70 16.998 19.396 1.482 1.00 0.00 N ATOM 1022 CA GLU A 70 17.480 18.419 2.442 1.00 0.00 C ATOM 1023 C GLU A 70 16.425 18.120 3.503 1.00 0.00 C ATOM 1024 O GLU A 70 16.511 17.102 4.190 1.00 0.00 O ATOM 1025 CB GLU A 70 18.778 18.922 3.069 1.00 0.00 C ATOM 1026 CG GLU A 70 19.843 19.108 1.988 1.00 0.00 C ATOM 1027 CD GLU A 70 21.173 19.537 2.599 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.639 20.649 2.268 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.722 18.745 3.397 1.00 0.00 O ATOM 0 H GLU A 70 17.407 20.324 1.590 1.00 0.00 H new ATOM 0 HA GLU A 70 17.681 17.481 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.601 19.867 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.129 18.212 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.975 18.176 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.510 19.857 1.270 1.00 0.00 H new ATOM 1036 N ALA A 71 15.423 18.994 3.650 1.00 0.00 N ATOM 1037 CA ALA A 71 14.313 18.728 4.549 1.00 0.00 C ATOM 1038 C ALA A 71 13.372 17.713 3.899 1.00 0.00 C ATOM 1039 O ALA A 71 12.710 16.943 4.593 1.00 0.00 O ATOM 1040 CB ALA A 71 13.589 20.038 4.870 1.00 0.00 C ATOM 0 H ALA A 71 15.365 19.885 3.157 1.00 0.00 H new ATOM 0 HA ALA A 71 14.677 18.307 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.756 19.838 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.283 20.730 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.211 20.480 3.948 1.00 0.00 H new ATOM 1046 N LEU A 72 13.308 17.703 2.562 1.00 0.00 N ATOM 1047 CA LEU A 72 12.530 16.703 1.844 1.00 0.00 C ATOM 1048 C LEU A 72 13.221 15.345 1.968 1.00 0.00 C ATOM 1049 O LEU A 72 12.559 14.310 2.043 1.00 0.00 O ATOM 1050 CB LEU A 72 12.392 17.107 0.372 1.00 0.00 C ATOM 1051 CG LEU A 72 11.739 18.479 0.184 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.673 18.796 -1.308 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.322 18.498 0.756 1.00 0.00 C ATOM 0 H LEU A 72 13.786 18.376 1.963 1.00 0.00 H new ATOM 0 HA LEU A 72 11.531 16.634 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.379 17.115 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.801 16.355 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 72 12.337 19.222 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.209 19.772 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.681 18.808 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.081 18.034 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.883 19.485 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.714 17.750 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.357 18.272 1.822 1.00 0.00 H new ATOM 1065 N ALA A 73 14.558 15.336 1.997 1.00 0.00 N ATOM 1066 CA ALA A 73 15.316 14.109 2.170 1.00 0.00 C ATOM 1067 C ALA A 73 15.227 13.614 3.616 1.00 0.00 C ATOM 1068 O ALA A 73 15.452 12.433 3.879 1.00 0.00 O ATOM 1069 CB ALA A 73 16.770 14.356 1.763 1.00 0.00 C ATOM 0 H ALA A 73 15.133 16.173 1.902 1.00 0.00 H new ATOM 0 HA ALA A 73 14.894 13.331 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.344 13.438 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 73 16.808 14.666 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.195 15.140 2.389 1.00 0.00 H new ATOM 1075 N ALA A 74 14.895 14.508 4.552 1.00 0.00 N ATOM 1076 CA ALA A 74 14.732 14.150 5.952 1.00 0.00 C ATOM 1077 C ALA A 74 13.330 13.607 6.231 1.00 0.00 C ATOM 1078 O ALA A 74 13.108 12.976 7.263 1.00 0.00 O ATOM 1079 CB ALA A 74 15.026 15.377 6.815 1.00 0.00 C ATOM 0 H ALA A 74 14.733 15.496 4.355 1.00 0.00 H new ATOM 0 HA ALA A 74 15.435 13.354 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.906 15.119 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.048 15.710 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.333 16.178 6.557 1.00 0.00 H new ATOM 1085 N ARG A 75 12.386 13.847 5.312 1.00 0.00 N ATOM 1086 CA ARG A 75 11.018 13.347 5.414 1.00 0.00 C ATOM 1087 C ARG A 75 10.776 12.164 4.479 1.00 0.00 C ATOM 1088 O ARG A 75 9.636 11.898 4.101 1.00 0.00 O ATOM 1089 CB ARG A 75 10.016 14.484 5.203 1.00 0.00 C ATOM 1090 CG ARG A 75 10.162 15.529 6.314 1.00 0.00 C ATOM 1091 CD ARG A 75 9.073 16.595 6.204 1.00 0.00 C ATOM 1092 NE ARG A 75 7.750 16.024 6.491 1.00 0.00 N ATOM 1093 CZ ARG A 75 6.743 16.694 7.061 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.875 17.977 7.392 1.00 0.00 N ATOM 1095 NH2 ARG A 75 5.591 16.076 7.303 1.00 0.00 N ATOM 0 H ARG A 75 12.556 14.399 4.471 1.00 0.00 H new ATOM 0 HA ARG A 75 10.866 12.964 6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.182 14.949 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.001 14.088 5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.103 15.042 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.144 15.998 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.282 17.407 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.079 17.025 5.202 1.00 0.00 H new ATOM 0 HE ARG A 75 7.589 15.049 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.754 18.463 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.097 18.474 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.477 15.093 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.821 16.584 7.738 1.00 0.00 H new ATOM 1109 N ASP A 76 11.851 11.458 4.109 1.00 0.00 N ATOM 1110 CA ASP A 76 11.791 10.264 3.275 1.00 0.00 C ATOM 1111 C ASP A 76 11.041 10.499 1.962 1.00 0.00 C ATOM 1112 O ASP A 76 10.252 9.659 1.529 1.00 0.00 O ATOM 1113 CB ASP A 76 11.240 9.092 4.097 1.00 0.00 C ATOM 1114 CG ASP A 76 11.376 7.759 3.363 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.491 7.482 2.868 1.00 0.00 O ATOM 1116 OD2 ASP A 76 10.362 7.028 3.308 1.00 0.00 O ATOM 0 H ASP A 76 12.799 11.709 4.388 1.00 0.00 H new ATOM 0 HA ASP A 76 12.802 10.003 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.769 9.037 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.190 9.273 4.327 1.00 0.00 H new ATOM 1121 N ILE A 77 11.287 11.651 1.327 1.00 0.00 N ATOM 1122 CA ILE A 77 10.729 11.983 0.023 1.00 0.00 C ATOM 1123 C ILE A 77 11.857 12.594 -0.823 1.00 0.00 C ATOM 1124 O ILE A 77 12.049 13.808 -0.852 1.00 0.00 O ATOM 1125 CB ILE A 77 9.465 12.833 0.228 1.00 0.00 C ATOM 1126 CG1 ILE A 77 8.671 13.098 -1.061 1.00 0.00 C ATOM 1127 CG2 ILE A 77 9.712 14.131 1.001 1.00 0.00 C ATOM 1128 CD1 ILE A 77 9.290 14.129 -2.007 1.00 0.00 C ATOM 0 H ILE A 77 11.885 12.382 1.713 1.00 0.00 H new ATOM 0 HA ILE A 77 10.378 11.122 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 77 8.836 12.204 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.558 12.157 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.670 13.433 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.774 14.676 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.107 13.896 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.431 14.746 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.655 14.244 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.377 15.087 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.279 13.791 -2.316 1.00 0.00 H new ATOM 1140 N PRO A 78 12.622 11.740 -1.525 1.00 0.00 N ATOM 1141 CA PRO A 78 13.786 12.122 -2.318 1.00 0.00 C ATOM 1142 C PRO A 78 13.491 13.144 -3.414 1.00 0.00 C ATOM 1143 O PRO A 78 12.337 13.375 -3.778 1.00 0.00 O ATOM 1144 CB PRO A 78 14.306 10.818 -2.929 1.00 0.00 C ATOM 1145 CG PRO A 78 13.806 9.746 -1.969 1.00 0.00 C ATOM 1146 CD PRO A 78 12.447 10.302 -1.560 1.00 0.00 C ATOM 0 HA PRO A 78 14.514 12.619 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.919 10.665 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.394 10.815 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.721 8.772 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.471 9.621 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.674 10.016 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.141 9.918 -0.587 1.00 0.00 H new ATOM 1154 N PHE A 79 14.558 13.755 -3.940 1.00 0.00 N ATOM 1155 CA PHE A 79 14.460 14.780 -4.969 1.00 0.00 C ATOM 1156 C PHE A 79 15.566 14.616 -6.012 1.00 0.00 C ATOM 1157 O PHE A 79 16.502 13.841 -5.823 1.00 0.00 O ATOM 1158 CB PHE A 79 14.536 16.160 -4.312 1.00 0.00 C ATOM 1159 CG PHE A 79 15.841 16.417 -3.592 1.00 0.00 C ATOM 1160 CD1 PHE A 79 15.915 16.278 -2.198 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.982 16.791 -4.318 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.128 16.516 -1.535 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.193 17.019 -3.654 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.265 16.888 -2.261 1.00 0.00 C ATOM 0 H PHE A 79 15.516 13.547 -3.658 1.00 0.00 H new ATOM 0 HA PHE A 79 13.505 14.677 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.395 16.925 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.714 16.262 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.039 15.988 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 79 16.926 16.903 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.185 16.412 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.073 17.296 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.197 17.074 -1.748 1.00 0.00 H new ATOM 1174 N VAL A 80 15.449 15.357 -7.119 1.00 0.00 N ATOM 1175 CA VAL A 80 16.416 15.363 -8.208 1.00 0.00 C ATOM 1176 C VAL A 80 16.668 16.800 -8.649 1.00 0.00 C ATOM 1177 O VAL A 80 15.728 17.594 -8.690 1.00 0.00 O ATOM 1178 CB VAL A 80 15.883 14.522 -9.377 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.795 14.627 -10.596 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.775 13.052 -8.974 1.00 0.00 C ATOM 0 H VAL A 80 14.659 15.982 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 80 17.357 14.928 -7.871 1.00 0.00 H new ATOM 0 HB VAL A 80 14.897 14.912 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.390 14.021 -11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.856 15.667 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.791 14.268 -10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.396 12.471 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.759 12.679 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.093 12.955 -8.129 1.00 0.00 H new ATOM 1190 N PHE A 81 17.917 17.137 -8.977 1.00 0.00 N ATOM 1191 CA PHE A 81 18.256 18.476 -9.443 1.00 0.00 C ATOM 1192 C PHE A 81 18.115 18.573 -10.961 1.00 0.00 C ATOM 1193 O PHE A 81 18.303 17.588 -11.670 1.00 0.00 O ATOM 1194 CB PHE A 81 19.683 18.847 -9.030 1.00 0.00 C ATOM 1195 CG PHE A 81 19.928 18.988 -7.541 1.00 0.00 C ATOM 1196 CD1 PHE A 81 19.081 19.772 -6.743 1.00 0.00 C ATOM 1197 CD2 PHE A 81 21.032 18.347 -6.959 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.335 19.908 -5.368 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.293 18.491 -5.587 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.444 19.273 -4.793 1.00 0.00 C ATOM 0 H PHE A 81 18.710 16.497 -8.927 1.00 0.00 H new ATOM 0 HA PHE A 81 17.561 19.177 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.362 18.088 -9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.947 19.788 -9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.232 20.272 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.684 17.740 -7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.675 20.502 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.147 18.000 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.644 19.386 -3.738 1.00 0.00 H new ATOM 1210 N ALA A 82 17.786 19.767 -11.463 1.00 0.00 N ATOM 1211 CA ALA A 82 17.697 20.026 -12.892 1.00 0.00 C ATOM 1212 C ALA A 82 18.158 21.451 -13.195 1.00 0.00 C ATOM 1213 O ALA A 82 17.838 22.378 -12.454 1.00 0.00 O ATOM 1214 CB ALA A 82 16.257 19.807 -13.357 1.00 0.00 C ATOM 0 H ALA A 82 17.575 20.579 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 82 18.348 19.338 -13.432 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.187 20.000 -14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.962 18.778 -13.154 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.594 20.487 -12.821 1.00 0.00 H new ATOM 1220 N THR A 83 18.909 21.637 -14.286 1.00 0.00 N ATOM 1221 CA THR A 83 19.391 22.957 -14.668 1.00 0.00 C ATOM 1222 C THR A 83 19.795 22.990 -16.138 1.00 0.00 C ATOM 1223 O THR A 83 20.069 21.949 -16.736 1.00 0.00 O ATOM 1224 CB THR A 83 20.585 23.346 -13.788 1.00 0.00 C ATOM 1225 OG1 THR A 83 20.972 24.673 -14.072 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.779 22.416 -14.007 1.00 0.00 C ATOM 0 H THR A 83 19.193 20.887 -14.916 1.00 0.00 H new ATOM 0 HA THR A 83 18.582 23.673 -14.523 1.00 0.00 H new ATOM 0 HB THR A 83 20.272 23.257 -12.748 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.734 24.920 -13.507 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.604 22.726 -13.365 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.493 21.393 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.092 22.466 -15.050 1.00 0.00 H new ATOM 1234 N GLY A 84 19.832 24.191 -16.724 1.00 0.00 N ATOM 1235 CA GLY A 84 20.328 24.396 -18.073 1.00 0.00 C ATOM 1236 C GLY A 84 21.702 25.059 -18.013 1.00 0.00 C ATOM 1237 O GLY A 84 21.814 26.208 -17.590 1.00 0.00 O ATOM 0 H GLY A 84 19.516 25.047 -16.267 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.395 23.442 -18.597 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.635 25.021 -18.636 1.00 0.00 H new ATOM 1241 N GLY A 85 22.741 24.335 -18.434 1.00 0.00 N ATOM 1242 CA GLY A 85 24.106 24.836 -18.402 1.00 0.00 C ATOM 1243 C GLY A 85 25.105 23.694 -18.234 1.00 0.00 C ATOM 1244 O GLY A 85 24.769 22.528 -18.444 1.00 0.00 O ATOM 0 H GLY A 85 22.655 23.389 -18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.320 25.378 -19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.218 25.545 -17.582 1.00 0.00 H new ATOM 1248 N SER A 86 26.338 24.036 -17.853 1.00 0.00 N ATOM 1249 CA SER A 86 27.389 23.056 -17.623 1.00 0.00 C ATOM 1250 C SER A 86 27.190 22.354 -16.282 1.00 0.00 C ATOM 1251 O SER A 86 26.493 22.852 -15.398 1.00 0.00 O ATOM 1252 CB SER A 86 28.750 23.745 -17.676 1.00 0.00 C ATOM 1253 OG SER A 86 28.907 24.401 -18.920 1.00 0.00 O ATOM 0 H SER A 86 26.630 25.001 -17.697 1.00 0.00 H new ATOM 0 HA SER A 86 27.344 22.298 -18.405 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.836 24.465 -16.862 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.545 23.012 -17.538 1.00 0.00 H new ATOM 0 HG SER A 86 29.781 24.843 -18.949 1.00 0.00 H new ATOM 1259 N ASP A 87 27.816 21.185 -16.125 1.00 0.00 N ATOM 1260 CA ASP A 87 27.701 20.388 -14.912 1.00 0.00 C ATOM 1261 C ASP A 87 28.665 20.864 -13.820 1.00 0.00 C ATOM 1262 O ASP A 87 28.654 20.331 -12.711 1.00 0.00 O ATOM 1263 CB ASP A 87 27.936 18.911 -15.249 1.00 0.00 C ATOM 1264 CG ASP A 87 29.362 18.665 -15.738 1.00 0.00 C ATOM 1265 OD1 ASP A 87 29.666 19.083 -16.878 1.00 0.00 O ATOM 1266 OD2 ASP A 87 30.143 18.062 -14.966 1.00 0.00 O ATOM 0 H ASP A 87 28.415 20.769 -16.838 1.00 0.00 H new ATOM 0 HA ASP A 87 26.694 20.511 -14.514 1.00 0.00 H new ATOM 0 HB2 ASP A 87 27.743 18.301 -14.367 1.00 0.00 H new ATOM 0 HB3 ASP A 87 27.228 18.595 -16.016 1.00 0.00 H new ATOM 1271 N ASP A 88 29.499 21.861 -14.124 1.00 0.00 N ATOM 1272 CA ASP A 88 30.459 22.399 -13.170 1.00 0.00 C ATOM 1273 C ASP A 88 29.880 23.597 -12.407 1.00 0.00 C ATOM 1274 O ASP A 88 30.550 24.174 -11.551 1.00 0.00 O ATOM 1275 CB ASP A 88 31.754 22.752 -13.910 1.00 0.00 C ATOM 1276 CG ASP A 88 32.875 23.119 -12.941 1.00 0.00 C ATOM 1277 OD1 ASP A 88 33.177 22.285 -12.058 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.425 24.236 -13.093 1.00 0.00 O ATOM 0 H ASP A 88 29.524 22.314 -15.037 1.00 0.00 H new ATOM 0 HA ASP A 88 30.684 21.644 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.065 21.906 -14.523 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.571 23.586 -14.587 1.00 0.00 H new ATOM 1283 N SER A 89 28.635 23.974 -12.713 1.00 0.00 N ATOM 1284 CA SER A 89 27.968 25.117 -12.100 1.00 0.00 C ATOM 1285 C SER A 89 27.318 24.753 -10.764 1.00 0.00 C ATOM 1286 O SER A 89 26.583 25.563 -10.198 1.00 0.00 O ATOM 1287 CB SER A 89 26.929 25.684 -13.068 1.00 0.00 C ATOM 1288 OG SER A 89 27.549 26.047 -14.285 1.00 0.00 O ATOM 0 H SER A 89 28.060 23.487 -13.400 1.00 0.00 H new ATOM 0 HA SER A 89 28.722 25.876 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 89 26.151 24.944 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.443 26.553 -12.625 1.00 0.00 H new ATOM 0 HG SER A 89 26.877 26.408 -14.900 1.00 0.00 H new ATOM 1294 N VAL A 90 27.577 23.543 -10.258 1.00 0.00 N ATOM 1295 CA VAL A 90 27.012 23.050 -9.008 1.00 0.00 C ATOM 1296 C VAL A 90 28.076 22.335 -8.179 1.00 0.00 C ATOM 1297 O VAL A 90 29.059 21.826 -8.718 1.00 0.00 O ATOM 1298 CB VAL A 90 25.830 22.114 -9.274 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.615 22.876 -9.799 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.196 21.011 -10.266 1.00 0.00 C ATOM 0 H VAL A 90 28.195 22.873 -10.716 1.00 0.00 H new ATOM 0 HA VAL A 90 26.650 23.909 -8.443 1.00 0.00 H new ATOM 0 HB VAL A 90 25.577 21.660 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 90 23.797 22.178 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.306 23.619 -9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.874 23.375 -10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.332 20.367 -10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.499 21.459 -11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.019 20.419 -9.865 1.00 0.00 H new ATOM 1310 N ASP A 91 27.875 22.300 -6.859 1.00 0.00 N ATOM 1311 CA ASP A 91 28.787 21.651 -5.926 1.00 0.00 C ATOM 1312 C ASP A 91 28.706 20.125 -6.032 1.00 0.00 C ATOM 1313 O ASP A 91 27.815 19.578 -6.680 1.00 0.00 O ATOM 1314 CB ASP A 91 28.468 22.111 -4.503 1.00 0.00 C ATOM 1315 CG ASP A 91 28.681 23.614 -4.343 1.00 0.00 C ATOM 1316 OD1 ASP A 91 27.667 24.347 -4.350 1.00 0.00 O ATOM 1317 OD2 ASP A 91 29.858 24.018 -4.213 1.00 0.00 O ATOM 0 H ASP A 91 27.066 22.727 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 91 29.807 21.938 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.435 21.860 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.100 21.575 -3.795 1.00 0.00 H new ATOM 1322 N SER A 92 29.650 19.432 -5.387 1.00 0.00 N ATOM 1323 CA SER A 92 29.757 17.981 -5.460 1.00 0.00 C ATOM 1324 C SER A 92 28.525 17.267 -4.907 1.00 0.00 C ATOM 1325 O SER A 92 28.339 16.080 -5.163 1.00 0.00 O ATOM 1326 CB SER A 92 31.004 17.536 -4.699 1.00 0.00 C ATOM 1327 OG SER A 92 30.915 17.946 -3.350 1.00 0.00 O ATOM 0 H SER A 92 30.361 19.868 -4.799 1.00 0.00 H new ATOM 0 HA SER A 92 29.830 17.707 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.106 16.452 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.894 17.964 -5.160 1.00 0.00 H new ATOM 0 HG SER A 92 31.717 17.656 -2.866 1.00 0.00 H new ATOM 1333 N ARG A 93 27.676 17.975 -4.151 1.00 0.00 N ATOM 1334 CA ARG A 93 26.456 17.388 -3.606 1.00 0.00 C ATOM 1335 C ARG A 93 25.410 17.231 -4.703 1.00 0.00 C ATOM 1336 O ARG A 93 24.520 16.387 -4.597 1.00 0.00 O ATOM 1337 CB ARG A 93 25.944 18.253 -2.450 1.00 0.00 C ATOM 1338 CG ARG A 93 27.057 18.479 -1.422 1.00 0.00 C ATOM 1339 CD ARG A 93 26.508 19.183 -0.184 1.00 0.00 C ATOM 1340 NE ARG A 93 25.658 18.282 0.602 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.595 18.665 1.313 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.214 19.940 1.345 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.903 17.764 2.003 1.00 0.00 N ATOM 0 H ARG A 93 27.816 18.955 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 93 26.669 16.393 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.592 19.211 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.092 17.768 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.497 17.523 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.853 19.078 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 93 27.334 19.539 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 93 25.934 20.059 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 93 25.897 17.290 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.737 20.642 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.399 20.215 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.185 16.784 1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.090 18.053 2.547 1.00 0.00 H new ATOM 1357 N PHE A 94 25.517 18.040 -5.759 1.00 0.00 N ATOM 1358 CA PHE A 94 24.637 17.941 -6.910 1.00 0.00 C ATOM 1359 C PHE A 94 25.192 16.908 -7.880 1.00 0.00 C ATOM 1360 O PHE A 94 24.450 16.357 -8.688 1.00 0.00 O ATOM 1361 CB PHE A 94 24.548 19.297 -7.610 1.00 0.00 C ATOM 1362 CG PHE A 94 24.022 20.441 -6.766 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.774 21.007 -7.059 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.789 20.956 -5.712 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.289 22.075 -6.293 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.306 22.022 -4.942 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.056 22.583 -5.233 1.00 0.00 C ATOM 0 H PHE A 94 26.217 18.778 -5.834 1.00 0.00 H new ATOM 0 HA PHE A 94 23.643 17.640 -6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.541 19.564 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 94 23.907 19.192 -8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.185 20.619 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.757 20.529 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.325 22.507 -6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 94 24.896 22.411 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.683 23.406 -4.642 1.00 0.00 H new ATOM 1377 N ARG A 95 26.500 16.641 -7.797 1.00 0.00 N ATOM 1378 CA ARG A 95 27.161 15.660 -8.648 1.00 0.00 C ATOM 1379 C ARG A 95 27.019 14.252 -8.069 1.00 0.00 C ATOM 1380 O ARG A 95 27.272 13.271 -8.765 1.00 0.00 O ATOM 1381 CB ARG A 95 28.634 16.045 -8.814 1.00 0.00 C ATOM 1382 CG ARG A 95 28.764 17.503 -9.269 1.00 0.00 C ATOM 1383 CD ARG A 95 30.237 17.881 -9.417 1.00 0.00 C ATOM 1384 NE ARG A 95 30.393 19.336 -9.518 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.396 19.957 -10.143 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.346 19.273 -10.773 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.446 21.284 -10.141 1.00 0.00 N ATOM 0 H ARG A 95 27.125 17.102 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 95 26.684 15.656 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.160 15.905 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.107 15.387 -9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.248 17.642 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.283 18.161 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.801 17.509 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 95 30.652 17.404 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 95 29.681 19.918 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.317 18.253 -10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.103 19.768 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 95 30.722 21.821 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.209 21.766 -10.616 1.00 0.00 H new ATOM 1401 N ASP A 96 26.615 14.153 -6.796 1.00 0.00 N ATOM 1402 CA ASP A 96 26.375 12.873 -6.143 1.00 0.00 C ATOM 1403 C ASP A 96 24.904 12.471 -6.277 1.00 0.00 C ATOM 1404 O ASP A 96 24.591 11.286 -6.383 1.00 0.00 O ATOM 1405 CB ASP A 96 26.782 12.986 -4.676 1.00 0.00 C ATOM 1406 CG ASP A 96 26.567 11.666 -3.944 1.00 0.00 C ATOM 1407 OD1 ASP A 96 27.470 10.802 -4.022 1.00 0.00 O ATOM 1408 OD2 ASP A 96 25.497 11.535 -3.310 1.00 0.00 O ATOM 0 H ASP A 96 26.447 14.961 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 96 26.971 12.096 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.830 13.277 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.201 13.772 -4.194 1.00 0.00 H new ATOM 1413 N ARG A 97 23.999 13.456 -6.275 1.00 0.00 N ATOM 1414 CA ARG A 97 22.584 13.222 -6.538 1.00 0.00 C ATOM 1415 C ARG A 97 22.351 13.179 -8.052 1.00 0.00 C ATOM 1416 O ARG A 97 23.184 13.673 -8.811 1.00 0.00 O ATOM 1417 CB ARG A 97 21.740 14.330 -5.899 1.00 0.00 C ATOM 1418 CG ARG A 97 21.317 14.007 -4.463 1.00 0.00 C ATOM 1419 CD ARG A 97 22.495 13.755 -3.520 1.00 0.00 C ATOM 1420 NE ARG A 97 22.017 13.660 -2.134 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.610 12.965 -1.157 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.726 12.276 -1.371 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.076 12.956 0.063 1.00 0.00 N ATOM 0 H ARG A 97 24.230 14.432 -6.091 1.00 0.00 H new ATOM 0 HA ARG A 97 22.286 12.268 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.308 15.260 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.850 14.497 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 97 20.721 14.833 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 97 20.674 13.127 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 97 23.006 12.834 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.222 14.563 -3.608 1.00 0.00 H new ATOM 0 HE ARG A 97 21.163 14.165 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 97 24.151 12.269 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 97 24.158 11.755 -0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.219 13.477 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.524 12.428 0.812 1.00 0.00 H new ATOM 1437 N PRO A 98 21.234 12.598 -8.510 1.00 0.00 N ATOM 1438 CA PRO A 98 20.866 12.577 -9.915 1.00 0.00 C ATOM 1439 C PRO A 98 20.695 13.993 -10.462 1.00 0.00 C ATOM 1440 O PRO A 98 20.357 14.912 -9.714 1.00 0.00 O ATOM 1441 CB PRO A 98 19.557 11.786 -9.986 1.00 0.00 C ATOM 1442 CG PRO A 98 19.552 10.963 -8.700 1.00 0.00 C ATOM 1443 CD PRO A 98 20.250 11.892 -7.713 1.00 0.00 C ATOM 0 HA PRO A 98 21.641 12.115 -10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.693 12.448 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.524 11.147 -10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.540 10.717 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.087 10.021 -8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.544 12.583 -7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.722 11.331 -6.906 1.00 0.00 H new ATOM 1451 N VAL A 99 20.925 14.169 -11.766 1.00 0.00 N ATOM 1452 CA VAL A 99 20.824 15.469 -12.423 1.00 0.00 C ATOM 1453 C VAL A 99 20.093 15.355 -13.756 1.00 0.00 C ATOM 1454 O VAL A 99 20.085 14.292 -14.379 1.00 0.00 O ATOM 1455 CB VAL A 99 22.213 16.090 -12.636 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.875 16.392 -11.295 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.129 15.170 -13.450 1.00 0.00 C ATOM 0 H VAL A 99 21.187 13.410 -12.395 1.00 0.00 H new ATOM 0 HA VAL A 99 20.249 16.122 -11.767 1.00 0.00 H new ATOM 0 HB VAL A 99 22.067 17.015 -13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.858 16.831 -11.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.257 17.092 -10.734 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.984 15.468 -10.727 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.101 15.646 -13.578 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.255 14.224 -12.924 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.684 14.985 -14.428 1.00 0.00 H new ATOM 1467 N LEU A 100 19.480 16.461 -14.186 1.00 0.00 N ATOM 1468 CA LEU A 100 18.734 16.538 -15.433 1.00 0.00 C ATOM 1469 C LEU A 100 19.016 17.862 -16.140 1.00 0.00 C ATOM 1470 O LEU A 100 19.371 18.852 -15.501 1.00 0.00 O ATOM 1471 CB LEU A 100 17.234 16.431 -15.147 1.00 0.00 C ATOM 1472 CG LEU A 100 16.826 15.065 -14.589 1.00 0.00 C ATOM 1473 CD1 LEU A 100 15.349 15.108 -14.201 1.00 0.00 C ATOM 1474 CD2 LEU A 100 17.023 13.982 -15.647 1.00 0.00 C ATOM 0 H LEU A 100 19.492 17.338 -13.666 1.00 0.00 H new ATOM 0 HA LEU A 100 19.047 15.715 -16.076 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.949 17.207 -14.437 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.680 16.622 -16.066 1.00 0.00 H new ATOM 0 HG LEU A 100 17.444 14.837 -13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.049 14.139 -13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.194 15.876 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.748 15.340 -15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 100 16.729 13.016 -15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 100 16.409 14.209 -16.518 1.00 0.00 H new ATOM 0 HD23 LEU A 100 18.072 13.948 -15.941 1.00 0.00 H new ATOM 1486 N GLN A 101 18.854 17.876 -17.464 1.00 0.00 N ATOM 1487 CA GLN A 101 18.968 19.084 -18.264 1.00 0.00 C ATOM 1488 C GLN A 101 17.617 19.801 -18.309 1.00 0.00 C ATOM 1489 O GLN A 101 16.596 19.213 -17.953 1.00 0.00 O ATOM 1490 CB GLN A 101 19.517 18.754 -19.658 1.00 0.00 C ATOM 1491 CG GLN A 101 18.488 18.079 -20.569 1.00 0.00 C ATOM 1492 CD GLN A 101 18.103 16.669 -20.130 1.00 0.00 C ATOM 1493 OE1 GLN A 101 18.865 15.968 -19.472 1.00 0.00 O ATOM 1494 NE2 GLN A 101 16.897 16.243 -20.500 1.00 0.00 N ATOM 0 H GLN A 101 18.639 17.041 -18.009 1.00 0.00 H new ATOM 0 HA GLN A 101 19.682 19.768 -17.805 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.864 19.673 -20.131 1.00 0.00 H new ATOM 0 HB3 GLN A 101 20.384 18.102 -19.555 1.00 0.00 H new ATOM 0 HG2 GLN A 101 17.590 18.695 -20.605 1.00 0.00 H new ATOM 0 HG3 GLN A 101 18.887 18.037 -21.583 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.287 16.851 -21.047 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.583 15.309 -20.236 1.00 0.00 H new ATOM 1503 N LYS A 102 17.595 21.066 -18.745 1.00 0.00 N ATOM 1504 CA LYS A 102 16.366 21.853 -18.747 1.00 0.00 C ATOM 1505 C LYS A 102 15.355 21.395 -19.808 1.00 0.00 C ATOM 1506 O LYS A 102 14.190 21.205 -19.463 1.00 0.00 O ATOM 1507 CB LYS A 102 16.718 23.339 -18.875 1.00 0.00 C ATOM 1508 CG LYS A 102 15.474 24.213 -18.693 1.00 0.00 C ATOM 1509 CD LYS A 102 15.867 25.689 -18.746 1.00 0.00 C ATOM 1510 CE LYS A 102 14.641 26.563 -18.498 1.00 0.00 C ATOM 1511 NZ LYS A 102 14.992 27.994 -18.537 1.00 0.00 N ATOM 0 H LYS A 102 18.414 21.561 -19.099 1.00 0.00 H new ATOM 0 HA LYS A 102 15.858 21.691 -17.797 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.467 23.605 -18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.161 23.529 -19.853 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.746 23.993 -19.474 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.997 23.988 -17.739 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.631 25.898 -17.997 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.301 25.924 -19.718 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.881 26.351 -19.251 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.206 26.318 -17.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.169 28.561 -18.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.782 28.175 -17.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.272 28.256 -19.503 1.00 0.00 H new ATOM 1525 N PRO A 103 15.743 21.209 -21.081 1.00 0.00 N ATOM 1526 CA PRO A 103 14.826 20.739 -22.106 1.00 0.00 C ATOM 1527 C PRO A 103 14.571 19.237 -21.972 1.00 0.00 C ATOM 1528 O PRO A 103 15.490 18.471 -21.691 1.00 0.00 O ATOM 1529 CB PRO A 103 15.511 21.070 -23.430 1.00 0.00 C ATOM 1530 CG PRO A 103 16.990 20.923 -23.084 1.00 0.00 C ATOM 1531 CD PRO A 103 17.059 21.449 -21.652 1.00 0.00 C ATOM 0 HA PRO A 103 13.848 21.213 -22.026 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.210 20.387 -24.224 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.272 22.078 -23.769 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.319 19.886 -23.150 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.622 21.501 -23.758 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.833 20.934 -21.083 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.305 22.511 -21.636 1.00 0.00 H new ATOM 1539 N PHE A 104 13.321 18.812 -22.175 1.00 0.00 N ATOM 1540 CA PHE A 104 12.939 17.408 -22.074 1.00 0.00 C ATOM 1541 C PHE A 104 12.596 16.845 -23.453 1.00 0.00 C ATOM 1542 O PHE A 104 12.165 17.573 -24.347 1.00 0.00 O ATOM 1543 CB PHE A 104 11.749 17.245 -21.122 1.00 0.00 C ATOM 1544 CG PHE A 104 12.065 17.181 -19.640 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.281 17.657 -19.120 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.115 16.624 -18.769 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.541 17.578 -17.744 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.382 16.537 -17.395 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.592 17.018 -16.881 1.00 0.00 C ATOM 0 H PHE A 104 12.549 19.434 -22.414 1.00 0.00 H new ATOM 0 HA PHE A 104 13.785 16.850 -21.673 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.064 18.077 -21.288 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.217 16.334 -21.396 1.00 0.00 H new ATOM 0 HD1 PHE A 104 14.018 18.085 -19.783 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.175 16.261 -19.159 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.475 17.950 -17.350 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.652 16.098 -16.731 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.793 16.957 -15.822 1.00 0.00 H new ATOM 1559 N THR A 105 12.790 15.533 -23.610 1.00 0.00 N ATOM 1560 CA THR A 105 12.474 14.802 -24.831 1.00 0.00 C ATOM 1561 C THR A 105 12.207 13.340 -24.476 1.00 0.00 C ATOM 1562 O THR A 105 12.545 12.902 -23.377 1.00 0.00 O ATOM 1563 CB THR A 105 13.616 14.948 -25.843 1.00 0.00 C ATOM 1564 OG1 THR A 105 13.270 14.289 -27.041 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.923 14.348 -25.323 1.00 0.00 C ATOM 0 H THR A 105 13.179 14.942 -22.876 1.00 0.00 H new ATOM 0 HA THR A 105 11.578 15.212 -25.297 1.00 0.00 H new ATOM 0 HB THR A 105 13.768 16.014 -26.011 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.999 14.384 -27.689 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.705 14.474 -26.072 1.00 0.00 H new ATOM 0 HG22 THR A 105 15.216 14.856 -24.404 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.781 13.286 -25.121 1.00 0.00 H new ATOM 1573 N MET A 106 11.602 12.576 -25.387 1.00 0.00 N ATOM 1574 CA MET A 106 11.187 11.207 -25.101 1.00 0.00 C ATOM 1575 C MET A 106 12.359 10.321 -24.676 1.00 0.00 C ATOM 1576 O MET A 106 12.160 9.354 -23.943 1.00 0.00 O ATOM 1577 CB MET A 106 10.510 10.617 -26.340 1.00 0.00 C ATOM 1578 CG MET A 106 9.220 11.368 -26.670 1.00 0.00 C ATOM 1579 SD MET A 106 7.931 11.229 -25.406 1.00 0.00 S ATOM 1580 CE MET A 106 6.671 12.279 -26.174 1.00 0.00 C ATOM 0 H MET A 106 11.389 12.887 -26.335 1.00 0.00 H new ATOM 0 HA MET A 106 10.488 11.237 -24.265 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.191 10.667 -27.189 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.288 9.563 -26.171 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.455 12.422 -26.818 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.827 10.993 -27.615 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.841 12.418 -25.481 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.105 13.248 -26.419 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.307 11.804 -27.085 1.00 0.00 H new ATOM 1590 N ASP A 107 13.579 10.633 -25.125 1.00 0.00 N ATOM 1591 CA ASP A 107 14.755 9.853 -24.764 1.00 0.00 C ATOM 1592 C ASP A 107 15.321 10.296 -23.416 1.00 0.00 C ATOM 1593 O ASP A 107 15.807 9.469 -22.646 1.00 0.00 O ATOM 1594 CB ASP A 107 15.802 9.997 -25.869 1.00 0.00 C ATOM 1595 CG ASP A 107 17.035 9.149 -25.571 1.00 0.00 C ATOM 1596 OD1 ASP A 107 16.949 7.917 -25.771 1.00 0.00 O ATOM 1597 OD2 ASP A 107 18.055 9.738 -25.147 1.00 0.00 O ATOM 0 H ASP A 107 13.772 11.423 -25.740 1.00 0.00 H new ATOM 0 HA ASP A 107 14.473 8.805 -24.664 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.371 9.695 -26.824 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.091 11.043 -25.966 1.00 0.00 H new ATOM 1602 N GLY A 108 15.263 11.599 -23.123 1.00 0.00 N ATOM 1603 CA GLY A 108 15.828 12.143 -21.897 1.00 0.00 C ATOM 1604 C GLY A 108 14.909 11.913 -20.700 1.00 0.00 C ATOM 1605 O GLY A 108 15.374 11.863 -19.563 1.00 0.00 O ATOM 0 H GLY A 108 14.826 12.296 -23.727 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.796 11.680 -21.706 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.004 13.212 -22.020 1.00 0.00 H new ATOM 1609 N VAL A 109 13.607 11.767 -20.952 1.00 0.00 N ATOM 1610 CA VAL A 109 12.627 11.532 -19.901 1.00 0.00 C ATOM 1611 C VAL A 109 12.614 10.058 -19.507 1.00 0.00 C ATOM 1612 O VAL A 109 12.330 9.729 -18.354 1.00 0.00 O ATOM 1613 CB VAL A 109 11.253 12.000 -20.389 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.140 11.585 -19.428 1.00 0.00 C ATOM 1615 CG2 VAL A 109 11.244 13.523 -20.497 1.00 0.00 C ATOM 0 H VAL A 109 13.207 11.809 -21.889 1.00 0.00 H new ATOM 0 HA VAL A 109 12.892 12.101 -19.010 1.00 0.00 H new ATOM 0 HB VAL A 109 11.073 11.535 -21.358 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.181 11.935 -19.809 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.121 10.499 -19.341 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.323 12.024 -18.448 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.266 13.857 -20.844 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.450 13.958 -19.519 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.009 13.842 -21.205 1.00 0.00 H new ATOM 1625 N ALA A 110 12.922 9.159 -20.447 1.00 0.00 N ATOM 1626 CA ALA A 110 12.988 7.740 -20.145 1.00 0.00 C ATOM 1627 C ALA A 110 14.187 7.457 -19.245 1.00 0.00 C ATOM 1628 O ALA A 110 14.147 6.544 -18.421 1.00 0.00 O ATOM 1629 CB ALA A 110 13.087 6.961 -21.458 1.00 0.00 C ATOM 0 H ALA A 110 13.128 9.395 -21.418 1.00 0.00 H new ATOM 0 HA ALA A 110 12.090 7.425 -19.614 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.137 5.893 -21.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.210 7.168 -22.071 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.985 7.266 -21.995 1.00 0.00 H new ATOM 1635 N LYS A 111 15.256 8.247 -19.400 1.00 0.00 N ATOM 1636 CA LYS A 111 16.452 8.121 -18.580 1.00 0.00 C ATOM 1637 C LYS A 111 16.305 8.893 -17.271 1.00 0.00 C ATOM 1638 O LYS A 111 17.011 8.604 -16.309 1.00 0.00 O ATOM 1639 CB LYS A 111 17.668 8.605 -19.371 1.00 0.00 C ATOM 1640 CG LYS A 111 17.925 7.676 -20.561 1.00 0.00 C ATOM 1641 CD LYS A 111 19.156 8.116 -21.355 1.00 0.00 C ATOM 1642 CE LYS A 111 18.952 9.510 -21.947 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.084 9.892 -22.813 1.00 0.00 N ATOM 0 H LYS A 111 15.310 8.989 -20.098 1.00 0.00 H new ATOM 0 HA LYS A 111 16.594 7.071 -18.322 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.501 9.623 -19.724 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.545 8.632 -18.724 1.00 0.00 H new ATOM 0 HG2 LYS A 111 18.065 6.656 -20.205 1.00 0.00 H new ATOM 0 HG3 LYS A 111 17.052 7.668 -21.214 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.032 8.117 -20.706 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.353 7.402 -22.155 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.027 9.532 -22.523 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.844 10.238 -21.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.478 10.799 -22.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.820 9.159 -22.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 19.753 9.988 -23.794 1.00 0.00 H new ATOM 1657 N ALA A 112 15.392 9.868 -17.222 1.00 0.00 N ATOM 1658 CA ALA A 112 15.163 10.647 -16.013 1.00 0.00 C ATOM 1659 C ALA A 112 14.400 9.823 -14.985 1.00 0.00 C ATOM 1660 O ALA A 112 14.711 9.871 -13.795 1.00 0.00 O ATOM 1661 CB ALA A 112 14.386 11.911 -16.376 1.00 0.00 C ATOM 0 H ALA A 112 14.801 10.133 -18.010 1.00 0.00 H new ATOM 0 HA ALA A 112 16.120 10.926 -15.572 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.210 12.501 -15.476 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.962 12.500 -17.089 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.430 11.635 -16.822 1.00 0.00 H new ATOM 1667 N LEU A 113 13.398 9.060 -15.435 1.00 0.00 N ATOM 1668 CA LEU A 113 12.631 8.222 -14.529 1.00 0.00 C ATOM 1669 C LEU A 113 13.430 6.970 -14.183 1.00 0.00 C ATOM 1670 O LEU A 113 13.253 6.412 -13.104 1.00 0.00 O ATOM 1671 CB LEU A 113 11.281 7.875 -15.161 1.00 0.00 C ATOM 1672 CG LEU A 113 10.409 9.116 -15.394 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.086 8.684 -16.023 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.102 9.852 -14.087 1.00 0.00 C ATOM 0 H LEU A 113 13.107 9.010 -16.411 1.00 0.00 H new ATOM 0 HA LEU A 113 12.437 8.761 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.447 7.367 -16.111 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.749 7.176 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 113 10.960 9.791 -16.050 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.460 9.560 -16.192 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.280 8.188 -16.974 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.572 7.995 -15.353 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.483 10.724 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.570 9.184 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.034 10.173 -13.622 1.00 0.00 H new ATOM 1686 N ALA A 114 14.308 6.519 -15.082 1.00 0.00 N ATOM 1687 CA ALA A 114 15.159 5.375 -14.797 1.00 0.00 C ATOM 1688 C ALA A 114 16.258 5.748 -13.800 1.00 0.00 C ATOM 1689 O ALA A 114 16.830 4.869 -13.160 1.00 0.00 O ATOM 1690 CB ALA A 114 15.757 4.851 -16.103 1.00 0.00 C ATOM 0 H ALA A 114 14.444 6.929 -16.006 1.00 0.00 H new ATOM 0 HA ALA A 114 14.559 4.588 -14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.396 3.993 -15.892 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.954 4.549 -16.776 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.348 5.637 -16.573 1.00 0.00 H new ATOM 1696 N ALA A 115 16.560 7.044 -13.662 1.00 0.00 N ATOM 1697 CA ALA A 115 17.534 7.521 -12.694 1.00 0.00 C ATOM 1698 C ALA A 115 16.886 7.782 -11.333 1.00 0.00 C ATOM 1699 O ALA A 115 17.584 7.821 -10.321 1.00 0.00 O ATOM 1700 CB ALA A 115 18.201 8.780 -13.241 1.00 0.00 C ATOM 0 H ALA A 115 16.133 7.784 -14.220 1.00 0.00 H new ATOM 0 HA ALA A 115 18.291 6.752 -12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.934 9.146 -12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.701 8.548 -14.181 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.446 9.547 -13.411 1.00 0.00 H new ATOM 1706 N LEU A 116 15.560 7.965 -11.297 1.00 0.00 N ATOM 1707 CA LEU A 116 14.841 8.217 -10.057 1.00 0.00 C ATOM 1708 C LEU A 116 14.357 6.901 -9.439 1.00 0.00 C ATOM 1709 O LEU A 116 14.586 6.642 -8.261 1.00 0.00 O ATOM 1710 CB LEU A 116 13.701 9.192 -10.366 1.00 0.00 C ATOM 1711 CG LEU A 116 13.251 10.020 -9.160 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.195 11.019 -9.625 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.641 9.165 -8.055 1.00 0.00 C ATOM 0 H LEU A 116 14.965 7.941 -12.125 1.00 0.00 H new ATOM 0 HA LEU A 116 15.492 8.671 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.019 9.868 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.848 8.630 -10.747 1.00 0.00 H new ATOM 0 HG LEU A 116 14.133 10.514 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.863 11.618 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.622 11.672 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.345 10.481 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.340 9.804 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.769 8.638 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.378 8.441 -7.707 1.00 0.00 H new ATOM 1725 N LEU A 117 13.685 6.065 -10.242 1.00 0.00 N ATOM 1726 CA LEU A 117 13.136 4.782 -9.819 1.00 0.00 C ATOM 1727 C LEU A 117 14.218 3.729 -9.554 1.00 0.00 C ATOM 1728 O LEU A 117 13.882 2.585 -9.244 1.00 0.00 O ATOM 1729 CB LEU A 117 12.115 4.289 -10.852 1.00 0.00 C ATOM 1730 CG LEU A 117 10.731 4.932 -10.685 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.747 6.457 -10.802 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.796 4.377 -11.761 1.00 0.00 C ATOM 0 H LEU A 117 13.507 6.272 -11.225 1.00 0.00 H new ATOM 0 HA LEU A 117 12.633 4.937 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.489 4.501 -11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.018 3.206 -10.770 1.00 0.00 H new ATOM 0 HG LEU A 117 10.390 4.688 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.736 6.842 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.395 6.874 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.122 6.743 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.809 4.827 -11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.196 4.613 -12.747 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.716 3.296 -11.651 1.00 0.00 H new ATOM 1744 N VAL A 118 15.501 4.091 -9.671 1.00 0.00 N ATOM 1745 CA VAL A 118 16.608 3.173 -9.408 1.00 0.00 C ATOM 1746 C VAL A 118 17.666 3.863 -8.555 1.00 0.00 C ATOM 1747 O VAL A 118 17.843 3.423 -7.399 1.00 0.00 O ATOM 1748 CB VAL A 118 17.202 2.657 -10.723 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.290 1.626 -10.424 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.131 1.986 -11.583 1.00 0.00 C ATOM 0 H VAL A 118 15.797 5.026 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 118 16.232 2.312 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 118 17.615 3.510 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.711 1.260 -11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.077 2.089 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.859 0.792 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.580 1.629 -12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.703 1.144 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.346 2.706 -11.814 1.00 0.00 H new TER 1760 VAL A 118