USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 18:sc= 0.809 USER MOD Single : A 13 ASN :FLIP amide:sc= 1.16 F(o=0,f=1.2) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.213 F(o=-0.74,f=-0.21) USER MOD Single : A 17 THR OG1 : rot 84:sc= 0.624 USER MOD Single : A 19 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.029) USER MOD Single : A 23 HIS : no HE2:sc= -0.198 X(o=-0.2,f=-0.38) USER MOD Single : A 24 TYR OH : rot -124:sc= 0.143 USER MOD Single : A 27 TYR OH : rot -49:sc= 0.961 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 59 SER OG : rot -137:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.551 F(o=-1.1,f=-0.55) USER MOD Single : A 68 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-2.6!) USER MOD Single : A 71 TYR OH : rot -65:sc= 1.29 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= -0.0264 (180deg=-0.226) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.11) USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= -0.205 (180deg=-0.728) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 103 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.24) USER MOD Single : A 109 THR OG1 : rot -61:sc= 0.8 USER MOD Single : A 113 THR OG1 : rot -78:sc= 0.0793 USER MOD Single : A 131 SER OG : rot 100:sc= -1.64 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.16) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 THR OG1 : rot 45:sc= 0.638 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 152 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -11.189 -31.017 22.912 1.00 0.00 N ATOM 58 CA GLU A 5 -10.237 -30.003 23.354 1.00 0.00 C ATOM 59 C GLU A 5 -9.122 -29.819 22.329 1.00 0.00 C ATOM 60 O GLU A 5 -8.551 -28.735 22.206 1.00 0.00 O ATOM 61 CB GLU A 5 -9.646 -30.389 24.713 1.00 0.00 C ATOM 62 CG GLU A 5 -9.984 -29.407 25.823 1.00 0.00 C ATOM 63 CD GLU A 5 -8.896 -29.321 26.875 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.742 -29.691 26.569 1.00 0.00 O ATOM 65 OE2 GLU A 5 -9.196 -28.883 28.005 1.00 0.00 O ATOM 0 HA GLU A 5 -10.769 -29.057 23.454 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.010 -31.378 24.991 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.562 -30.462 24.621 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.147 -28.419 25.392 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.919 -29.707 26.296 1.00 0.00 H new ATOM 73 N TRP A 6 -8.815 -30.885 21.595 1.00 0.00 N ATOM 74 CA TRP A 6 -7.767 -30.841 20.582 1.00 0.00 C ATOM 75 C TRP A 6 -8.240 -30.090 19.341 1.00 0.00 C ATOM 76 O TRP A 6 -7.588 -29.151 18.885 1.00 0.00 O ATOM 77 CB TRP A 6 -7.337 -32.259 20.202 1.00 0.00 C ATOM 78 CG TRP A 6 -6.167 -32.757 20.994 1.00 0.00 C ATOM 79 CD1 TRP A 6 -5.831 -32.405 22.270 1.00 0.00 C ATOM 80 CD2 TRP A 6 -5.176 -33.697 20.563 1.00 0.00 C ATOM 81 NE1 TRP A 6 -4.693 -33.069 22.658 1.00 0.00 N ATOM 82 CE2 TRP A 6 -4.272 -33.869 21.628 1.00 0.00 C ATOM 83 CE3 TRP A 6 -4.967 -34.411 19.379 1.00 0.00 C ATOM 84 CZ2 TRP A 6 -3.175 -34.723 21.543 1.00 0.00 C ATOM 85 CZ3 TRP A 6 -3.879 -35.260 19.297 1.00 0.00 C ATOM 86 CH2 TRP A 6 -2.996 -35.410 20.374 1.00 0.00 C ATOM 0 H TRP A 6 -9.278 -31.790 21.683 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.913 -30.310 21.002 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -8.179 -32.937 20.345 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -7.085 -32.283 19.142 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.380 -31.707 22.884 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -4.236 -32.981 23.565 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.643 -34.301 18.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.490 -34.839 22.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.707 -35.817 18.388 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.156 -36.082 20.279 1.00 0.00 H new ATOM 97 N MET A 7 -9.377 -30.513 18.797 1.00 0.00 N ATOM 98 CA MET A 7 -9.938 -29.882 17.606 1.00 0.00 C ATOM 99 C MET A 7 -10.153 -28.388 17.827 1.00 0.00 C ATOM 100 O MET A 7 -10.078 -27.595 16.889 1.00 0.00 O ATOM 101 CB MET A 7 -11.260 -30.549 17.223 1.00 0.00 C ATOM 102 CG MET A 7 -12.266 -30.603 18.361 1.00 0.00 C ATOM 103 SD MET A 7 -13.380 -29.185 18.372 1.00 0.00 S ATOM 104 CE MET A 7 -14.913 -29.960 18.878 1.00 0.00 C ATOM 0 H MET A 7 -9.928 -31.290 19.162 1.00 0.00 H new ATOM 0 HA MET A 7 -9.225 -30.009 16.791 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.701 -30.009 16.385 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.059 -31.563 16.878 1.00 0.00 H new ATOM 0 HG2 MET A 7 -12.851 -31.519 18.280 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.732 -30.648 19.310 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.701 -29.208 18.931 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.190 -30.726 18.153 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.783 -30.419 19.858 1.00 0.00 H new ATOM 114 N THR A 8 -10.420 -28.009 19.074 1.00 0.00 N ATOM 115 CA THR A 8 -10.645 -26.610 19.416 1.00 0.00 C ATOM 116 C THR A 8 -9.415 -25.768 19.089 1.00 0.00 C ATOM 117 O THR A 8 -9.501 -24.788 18.347 1.00 0.00 O ATOM 118 CB THR A 8 -10.992 -26.474 20.899 1.00 0.00 C ATOM 119 OG1 THR A 8 -12.144 -27.234 21.216 1.00 0.00 O ATOM 120 CG2 THR A 8 -11.254 -25.046 21.326 1.00 0.00 C ATOM 0 H THR A 8 -10.486 -28.652 19.863 1.00 0.00 H new ATOM 0 HA THR A 8 -11.483 -26.246 18.821 1.00 0.00 H new ATOM 0 HB THR A 8 -10.116 -26.841 21.434 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.349 -27.135 22.169 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.494 -25.022 22.389 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.366 -24.442 21.141 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.091 -24.644 20.756 1.00 0.00 H new ATOM 128 N THR A 9 -8.274 -26.155 19.648 1.00 0.00 N ATOM 129 CA THR A 9 -7.027 -25.434 19.416 1.00 0.00 C ATOM 130 C THR A 9 -6.663 -25.439 17.935 1.00 0.00 C ATOM 131 O THR A 9 -6.276 -24.412 17.377 1.00 0.00 O ATOM 132 CB THR A 9 -5.894 -26.059 20.232 1.00 0.00 C ATOM 133 OG1 THR A 9 -6.006 -27.471 20.247 1.00 0.00 O ATOM 134 CG2 THR A 9 -5.862 -25.586 21.670 1.00 0.00 C ATOM 0 H THR A 9 -8.186 -26.963 20.264 1.00 0.00 H new ATOM 0 HA THR A 9 -7.169 -24.401 19.734 1.00 0.00 H new ATOM 0 HB THR A 9 -4.974 -25.741 19.740 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.592 -27.760 19.516 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.035 -26.067 22.193 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.727 -24.505 21.694 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.801 -25.845 22.159 1.00 0.00 H new ATOM 142 N PHE A 10 -6.791 -26.601 17.302 1.00 0.00 N ATOM 143 CA PHE A 10 -6.476 -26.739 15.885 1.00 0.00 C ATOM 144 C PHE A 10 -7.420 -25.897 15.034 1.00 0.00 C ATOM 145 O PHE A 10 -7.000 -25.260 14.067 1.00 0.00 O ATOM 146 CB PHE A 10 -6.560 -28.208 15.463 1.00 0.00 C ATOM 147 CG PHE A 10 -5.224 -28.892 15.400 1.00 0.00 C ATOM 148 CD1 PHE A 10 -4.703 -29.526 16.517 1.00 0.00 C ATOM 149 CD2 PHE A 10 -4.490 -28.901 14.225 1.00 0.00 C ATOM 150 CE1 PHE A 10 -3.474 -30.156 16.462 1.00 0.00 C ATOM 151 CE2 PHE A 10 -3.262 -29.530 14.164 1.00 0.00 C ATOM 152 CZ PHE A 10 -2.753 -30.159 15.284 1.00 0.00 C ATOM 0 H PHE A 10 -7.111 -27.461 17.748 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.458 -26.381 15.727 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.200 -28.743 16.164 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.037 -28.270 14.485 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.263 -29.528 17.440 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.883 -28.410 13.347 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.078 -30.645 17.339 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.700 -29.530 13.242 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.793 -30.652 15.238 1.00 0.00 H new ATOM 162 N ARG A 11 -8.698 -25.899 15.396 1.00 0.00 N ATOM 163 CA ARG A 11 -9.703 -25.135 14.665 1.00 0.00 C ATOM 164 C ARG A 11 -9.523 -23.637 14.894 1.00 0.00 C ATOM 165 O ARG A 11 -9.821 -22.825 14.018 1.00 0.00 O ATOM 166 CB ARG A 11 -11.108 -25.563 15.091 1.00 0.00 C ATOM 167 CG ARG A 11 -12.212 -24.973 14.227 1.00 0.00 C ATOM 168 CD ARG A 11 -13.587 -25.406 14.708 1.00 0.00 C ATOM 169 NE ARG A 11 -14.103 -26.538 13.944 1.00 0.00 N ATOM 170 CZ ARG A 11 -15.300 -27.087 14.148 1.00 0.00 C ATOM 171 NH1 ARG A 11 -16.103 -26.610 15.090 1.00 0.00 N ATOM 172 NH2 ARG A 11 -15.692 -28.114 13.407 1.00 0.00 N ATOM 0 H ARG A 11 -9.063 -26.422 16.192 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.575 -25.339 13.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.173 -26.651 15.057 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.271 -25.266 16.127 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.146 -23.885 14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.072 -25.286 13.192 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.534 -25.675 15.763 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.280 -24.568 14.627 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.513 -26.932 13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.805 -25.820 15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.018 -27.034 15.242 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.078 -28.483 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.608 -28.535 13.562 1.00 0.00 H new ATOM 186 N GLU A 12 -9.034 -23.280 16.076 1.00 0.00 N ATOM 187 CA GLU A 12 -8.815 -21.879 16.420 1.00 0.00 C ATOM 188 C GLU A 12 -7.601 -21.319 15.687 1.00 0.00 C ATOM 189 O GLU A 12 -7.546 -20.130 15.374 1.00 0.00 O ATOM 190 CB GLU A 12 -8.629 -21.726 17.931 1.00 0.00 C ATOM 191 CG GLU A 12 -9.273 -20.472 18.500 1.00 0.00 C ATOM 192 CD GLU A 12 -8.466 -19.864 19.630 1.00 0.00 C ATOM 193 OE1 GLU A 12 -9.000 -19.768 20.755 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.301 -19.483 19.390 1.00 0.00 O ATOM 0 H GLU A 12 -8.782 -23.940 16.812 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.694 -21.315 16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.049 -22.599 18.431 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.563 -21.712 18.158 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.390 -19.736 17.705 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.273 -20.713 18.861 1.00 0.00 H new ATOM 202 N ASN A 13 -6.629 -22.185 15.415 1.00 0.00 N ATOM 203 CA ASN A 13 -5.414 -21.776 14.718 1.00 0.00 C ATOM 204 C ASN A 13 -5.663 -21.648 13.219 1.00 0.00 C ATOM 205 O ASN A 13 -5.214 -20.695 12.584 1.00 0.00 O ATOM 206 CB ASN A 13 -4.290 -22.781 14.977 1.00 0.00 C ATOM 207 CG ASN A 13 -3.533 -22.484 16.255 1.00 0.00 C ATOM 208 OD1 ASN A 13 -2.345 -21.906 16.119 1.00 0.00 O flip ATOM 209 ND2 ASN A 13 -4.009 -22.771 17.353 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.659 -23.173 15.666 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.115 -20.801 15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.710 -23.785 15.032 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.596 -22.771 14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.926 -23.214 17.411 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.487 -22.565 18.205 1.00 0.00 H new ATOM 216 N ILE A 14 -6.382 -22.616 12.658 1.00 0.00 N ATOM 217 CA ILE A 14 -6.690 -22.611 11.234 1.00 0.00 C ATOM 218 C ILE A 14 -7.707 -21.524 10.897 1.00 0.00 C ATOM 219 O ILE A 14 -7.537 -20.780 9.931 1.00 0.00 O ATOM 220 CB ILE A 14 -7.240 -23.975 10.772 1.00 0.00 C ATOM 221 CG1 ILE A 14 -6.319 -25.106 11.234 1.00 0.00 C ATOM 222 CG2 ILE A 14 -7.396 -23.999 9.258 1.00 0.00 C ATOM 223 CD1 ILE A 14 -7.034 -26.427 11.424 1.00 0.00 C ATOM 0 H ILE A 14 -6.762 -23.413 13.169 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.757 -22.409 10.709 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.221 -24.124 11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.521 -25.236 10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.847 -24.819 12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.785 -24.969 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.088 -23.215 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.426 -23.831 8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.321 -27.183 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.814 -26.314 12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.483 -26.737 10.480 1.00 0.00 H new ATOM 235 N ALA A 15 -8.763 -21.440 11.699 1.00 0.00 N ATOM 236 CA ALA A 15 -9.807 -20.445 11.485 1.00 0.00 C ATOM 237 C ALA A 15 -9.252 -19.030 11.614 1.00 0.00 C ATOM 238 O ALA A 15 -9.600 -18.144 10.835 1.00 0.00 O ATOM 239 CB ALA A 15 -10.947 -20.658 12.469 1.00 0.00 C ATOM 0 H ALA A 15 -8.918 -22.049 12.503 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.188 -20.566 10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.720 -19.908 12.298 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.369 -21.653 12.327 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.570 -20.565 13.488 1.00 0.00 H new ATOM 245 N GLN A 16 -8.387 -18.828 12.602 1.00 0.00 N ATOM 246 CA GLN A 16 -7.783 -17.519 12.833 1.00 0.00 C ATOM 247 C GLN A 16 -6.956 -17.082 11.629 1.00 0.00 C ATOM 248 O GLN A 16 -7.061 -15.944 11.171 1.00 0.00 O ATOM 249 CB GLN A 16 -6.905 -17.553 14.085 1.00 0.00 C ATOM 250 CG GLN A 16 -7.655 -17.220 15.364 1.00 0.00 C ATOM 251 CD GLN A 16 -6.729 -17.003 16.544 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.482 -18.062 17.305 1.00 0.00 O flip ATOM 253 NE2 GLN A 16 -6.240 -15.895 16.768 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.088 -19.552 13.255 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.586 -16.797 12.981 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.462 -18.544 14.181 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.083 -16.848 13.961 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.253 -16.322 15.207 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.348 -18.029 15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.458 -15.108 16.156 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.617 -15.764 17.565 1.00 0.00 H new ATOM 262 N THR A 17 -6.134 -17.993 11.120 1.00 0.00 N ATOM 263 CA THR A 17 -5.288 -17.701 9.967 1.00 0.00 C ATOM 264 C THR A 17 -6.124 -17.576 8.697 1.00 0.00 C ATOM 265 O THR A 17 -5.774 -16.830 7.783 1.00 0.00 O ATOM 266 CB THR A 17 -4.233 -18.795 9.793 1.00 0.00 C ATOM 267 OG1 THR A 17 -3.480 -18.959 10.981 1.00 0.00 O ATOM 268 CG2 THR A 17 -3.261 -18.514 8.668 1.00 0.00 C ATOM 0 H THR A 17 -6.035 -18.940 11.487 1.00 0.00 H new ATOM 0 HA THR A 17 -4.788 -16.749 10.145 1.00 0.00 H new ATOM 0 HB THR A 17 -4.791 -19.700 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.958 -19.558 11.591 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.540 -19.328 8.599 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.807 -18.431 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.736 -17.580 8.866 1.00 0.00 H new ATOM 276 N TRP A 18 -7.230 -18.311 8.647 1.00 0.00 N ATOM 277 CA TRP A 18 -8.116 -18.282 7.489 1.00 0.00 C ATOM 278 C TRP A 18 -8.884 -16.965 7.424 1.00 0.00 C ATOM 279 O TRP A 18 -9.080 -16.403 6.346 1.00 0.00 O ATOM 280 CB TRP A 18 -9.095 -19.458 7.541 1.00 0.00 C ATOM 281 CG TRP A 18 -8.814 -20.512 6.514 1.00 0.00 C ATOM 282 CD1 TRP A 18 -9.729 -21.175 5.748 1.00 0.00 C ATOM 283 CD2 TRP A 18 -7.529 -21.026 6.141 1.00 0.00 C ATOM 284 NE1 TRP A 18 -9.093 -22.068 4.921 1.00 0.00 N ATOM 285 CE2 TRP A 18 -7.742 -21.996 5.145 1.00 0.00 C ATOM 286 CE3 TRP A 18 -6.221 -20.760 6.555 1.00 0.00 C ATOM 287 CZ2 TRP A 18 -6.694 -22.699 4.554 1.00 0.00 C ATOM 288 CZ3 TRP A 18 -5.182 -21.459 5.968 1.00 0.00 C ATOM 289 CH2 TRP A 18 -5.424 -22.418 4.977 1.00 0.00 C ATOM 0 H TRP A 18 -7.534 -18.934 9.395 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.504 -18.368 6.591 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.058 -19.909 8.533 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -10.109 -19.084 7.399 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.797 -21.020 5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.551 -22.684 4.250 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.025 -20.022 7.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.878 -23.439 3.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.167 -21.262 6.279 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.591 -22.947 4.538 1.00 0.00 H new ATOM 300 N GLN A 19 -9.317 -16.480 8.582 1.00 0.00 N ATOM 301 CA GLN A 19 -10.065 -15.231 8.656 1.00 0.00 C ATOM 302 C GLN A 19 -9.123 -14.035 8.765 1.00 0.00 C ATOM 303 O GLN A 19 -8.971 -13.265 7.817 1.00 0.00 O ATOM 304 CB GLN A 19 -11.022 -15.255 9.851 1.00 0.00 C ATOM 305 CG GLN A 19 -12.440 -14.834 9.503 1.00 0.00 C ATOM 306 CD GLN A 19 -13.487 -15.696 10.180 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.372 -15.190 10.871 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.392 -17.006 9.987 1.00 0.00 N ATOM 0 H GLN A 19 -9.163 -16.933 9.483 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.644 -15.129 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.043 -16.261 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.636 -14.595 10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.588 -13.794 9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.576 -14.886 8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.643 -17.383 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.068 -17.636 10.419 1.00 0.00 H new ATOM 348 N GLU A 22 -2.052 -12.111 8.353 1.00 0.00 N ATOM 349 CA GLU A 22 -0.813 -12.473 9.033 1.00 0.00 C ATOM 350 C GLU A 22 0.394 -11.859 8.331 1.00 0.00 C ATOM 351 O GLU A 22 1.462 -12.467 8.262 1.00 0.00 O ATOM 352 CB GLU A 22 -0.664 -13.995 9.090 1.00 0.00 C ATOM 353 CG GLU A 22 -1.334 -14.626 10.299 1.00 0.00 C ATOM 354 CD GLU A 22 -0.664 -15.916 10.730 1.00 0.00 C ATOM 355 OE1 GLU A 22 -1.385 -16.864 11.103 1.00 0.00 O ATOM 356 OE2 GLU A 22 0.583 -15.977 10.695 1.00 0.00 O ATOM 0 HA GLU A 22 -0.858 -12.080 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.087 -14.427 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.396 -14.248 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.319 -13.919 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.381 -14.824 10.068 1.00 0.00 H new ATOM 364 N HIS A 23 0.216 -10.649 7.810 1.00 0.00 N ATOM 365 CA HIS A 23 1.291 -9.951 7.113 1.00 0.00 C ATOM 366 C HIS A 23 1.799 -8.773 7.938 1.00 0.00 C ATOM 367 O HIS A 23 1.031 -7.885 8.308 1.00 0.00 O ATOM 368 CB HIS A 23 0.808 -9.463 5.746 1.00 0.00 C ATOM 369 CG HIS A 23 1.086 -10.427 4.635 1.00 0.00 C ATOM 370 ND1 HIS A 23 0.200 -10.665 3.605 1.00 0.00 N ATOM 371 CD2 HIS A 23 2.159 -11.217 4.394 1.00 0.00 C ATOM 372 CE1 HIS A 23 0.716 -11.559 2.780 1.00 0.00 C ATOM 373 NE2 HIS A 23 1.904 -11.909 3.236 1.00 0.00 N ATOM 0 H HIS A 23 -0.662 -10.132 7.857 1.00 0.00 H new ATOM 0 HA HIS A 23 2.114 -10.652 6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.265 -9.276 5.794 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.288 -8.511 5.519 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -0.712 -10.220 3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.050 -11.289 5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.246 -11.939 1.885 1.00 0.00 H new ATOM 382 N TYR A 24 3.098 -8.771 8.222 1.00 0.00 N ATOM 383 CA TYR A 24 3.709 -7.702 9.004 1.00 0.00 C ATOM 384 C TYR A 24 4.770 -6.971 8.189 1.00 0.00 C ATOM 385 O TYR A 24 5.854 -7.501 7.944 1.00 0.00 O ATOM 386 CB TYR A 24 4.330 -8.267 10.281 1.00 0.00 C ATOM 387 CG TYR A 24 4.571 -7.226 11.350 1.00 0.00 C ATOM 388 CD1 TYR A 24 3.528 -6.764 12.145 1.00 0.00 C ATOM 389 CD2 TYR A 24 5.840 -6.703 11.566 1.00 0.00 C ATOM 390 CE1 TYR A 24 3.744 -5.812 13.123 1.00 0.00 C ATOM 391 CE2 TYR A 24 6.064 -5.752 12.542 1.00 0.00 C ATOM 392 CZ TYR A 24 5.013 -5.309 13.317 1.00 0.00 C ATOM 393 OH TYR A 24 5.232 -4.361 14.290 1.00 0.00 O ATOM 0 H TYR A 24 3.748 -9.498 7.922 1.00 0.00 H new ATOM 0 HA TYR A 24 2.928 -6.990 9.273 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.676 -9.041 10.681 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.277 -8.747 10.033 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.533 -7.156 11.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.666 -7.046 10.960 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.923 -5.464 13.732 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.057 -5.357 12.697 1.00 0.00 H new ATOM 0 HH TYR A 24 5.648 -3.570 13.888 1.00 0.00 H new ATOM 403 N ASP A 25 4.452 -5.749 7.771 1.00 0.00 N ATOM 404 CA ASP A 25 5.379 -4.944 6.985 1.00 0.00 C ATOM 405 C ASP A 25 5.811 -3.702 7.756 1.00 0.00 C ATOM 406 O ASP A 25 4.982 -2.995 8.328 1.00 0.00 O ATOM 407 CB ASP A 25 4.733 -4.536 5.659 1.00 0.00 C ATOM 408 CG ASP A 25 4.468 -5.724 4.755 1.00 0.00 C ATOM 409 OD1 ASP A 25 5.413 -6.499 4.501 1.00 0.00 O ATOM 410 OD2 ASP A 25 3.314 -5.878 4.302 1.00 0.00 O ATOM 0 H ASP A 25 3.559 -5.295 7.964 1.00 0.00 H new ATOM 0 HA ASP A 25 6.263 -5.548 6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.795 -4.019 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.383 -3.829 5.144 1.00 0.00 H new ATOM 416 N LEU A 26 7.115 -3.444 7.770 1.00 0.00 N ATOM 417 CA LEU A 26 7.657 -2.287 8.471 1.00 0.00 C ATOM 418 C LEU A 26 7.985 -1.163 7.494 1.00 0.00 C ATOM 419 O LEU A 26 8.711 -1.365 6.520 1.00 0.00 O ATOM 420 CB LEU A 26 8.912 -2.680 9.254 1.00 0.00 C ATOM 421 CG LEU A 26 8.654 -3.483 10.530 1.00 0.00 C ATOM 422 CD1 LEU A 26 8.625 -4.973 10.227 1.00 0.00 C ATOM 423 CD2 LEU A 26 9.713 -3.170 11.578 1.00 0.00 C ATOM 0 H LEU A 26 7.815 -4.021 7.304 1.00 0.00 H new ATOM 0 HA LEU A 26 6.899 -1.929 9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.561 -3.263 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.456 -1.773 9.517 1.00 0.00 H new ATOM 0 HG LEU A 26 7.680 -3.196 10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.440 -5.528 11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.831 -5.183 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.583 -5.277 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.515 -3.749 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.698 -3.429 11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.686 -2.107 11.817 1.00 0.00 H new ATOM 435 N TYR A 27 7.446 0.023 7.761 1.00 0.00 N ATOM 436 CA TYR A 27 7.681 1.180 6.904 1.00 0.00 C ATOM 437 C TYR A 27 8.742 2.096 7.505 1.00 0.00 C ATOM 438 O TYR A 27 8.650 2.492 8.667 1.00 0.00 O ATOM 439 CB TYR A 27 6.380 1.956 6.695 1.00 0.00 C ATOM 440 CG TYR A 27 6.483 3.039 5.644 1.00 0.00 C ATOM 441 CD1 TYR A 27 6.758 2.723 4.319 1.00 0.00 C ATOM 442 CD2 TYR A 27 6.306 4.376 5.977 1.00 0.00 C ATOM 443 CE1 TYR A 27 6.853 3.710 3.356 1.00 0.00 C ATOM 444 CE2 TYR A 27 6.400 5.367 5.019 1.00 0.00 C ATOM 445 CZ TYR A 27 6.673 5.029 3.711 1.00 0.00 C ATOM 446 OH TYR A 27 6.767 6.015 2.755 1.00 0.00 O ATOM 0 H TYR A 27 6.844 0.208 8.563 1.00 0.00 H new ATOM 0 HA TYR A 27 8.042 0.821 5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.592 1.258 6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.080 2.407 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.900 1.690 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.092 4.645 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.067 3.449 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.260 6.402 5.294 1.00 0.00 H new ATOM 0 HH TYR A 27 7.586 5.887 2.232 1.00 0.00 H new ATOM 456 N ILE A 28 9.749 2.431 6.705 1.00 0.00 N ATOM 457 CA ILE A 28 10.828 3.301 7.155 1.00 0.00 C ATOM 458 C ILE A 28 11.502 3.996 5.976 1.00 0.00 C ATOM 459 O ILE A 28 11.450 3.511 4.847 1.00 0.00 O ATOM 460 CB ILE A 28 11.890 2.515 7.949 1.00 0.00 C ATOM 461 CG1 ILE A 28 12.305 1.259 7.183 1.00 0.00 C ATOM 462 CG2 ILE A 28 11.360 2.151 9.327 1.00 0.00 C ATOM 463 CD1 ILE A 28 13.628 0.682 7.637 1.00 0.00 C ATOM 0 H ILE A 28 9.840 2.112 5.740 1.00 0.00 H new ATOM 0 HA ILE A 28 10.379 4.050 7.807 1.00 0.00 H new ATOM 0 HB ILE A 28 12.769 3.147 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.530 0.501 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.367 1.495 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.122 1.596 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.111 3.061 9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.467 1.534 9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.858 -0.207 7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 28 14.415 1.423 7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.565 0.414 8.692 1.00 0.00 H new ATOM 475 N PRO A 29 12.149 5.149 6.225 1.00 0.00 N ATOM 476 CA PRO A 29 12.835 5.911 5.176 1.00 0.00 C ATOM 477 C PRO A 29 13.808 5.049 4.378 1.00 0.00 C ATOM 478 O PRO A 29 14.135 3.932 4.778 1.00 0.00 O ATOM 479 CB PRO A 29 13.591 6.989 5.956 1.00 0.00 C ATOM 480 CG PRO A 29 12.817 7.156 7.217 1.00 0.00 C ATOM 481 CD PRO A 29 12.260 5.799 7.544 1.00 0.00 C ATOM 0 HA PRO A 29 12.138 6.310 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 29 14.618 6.684 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.640 7.922 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.456 7.520 8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.017 7.886 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.919 5.244 8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.292 5.871 8.040 1.00 0.00 H new ATOM 489 N ALA A 30 14.268 5.576 3.249 1.00 0.00 N ATOM 490 CA ALA A 30 15.204 4.856 2.395 1.00 0.00 C ATOM 491 C ALA A 30 16.253 5.797 1.812 1.00 0.00 C ATOM 492 O ALA A 30 17.410 5.790 2.232 1.00 0.00 O ATOM 493 CB ALA A 30 14.457 4.140 1.280 1.00 0.00 C ATOM 0 H ALA A 30 14.008 6.500 2.904 1.00 0.00 H new ATOM 0 HA ALA A 30 15.719 4.116 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.168 3.606 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.751 3.430 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.915 4.870 0.678 1.00 0.00 H new ATOM 499 N ILE A 31 15.841 6.609 0.843 1.00 0.00 N ATOM 500 CA ILE A 31 16.744 7.556 0.204 1.00 0.00 C ATOM 501 C ILE A 31 16.023 8.852 -0.148 1.00 0.00 C ATOM 502 O ILE A 31 14.817 8.855 -0.398 1.00 0.00 O ATOM 503 CB ILE A 31 17.367 6.966 -1.076 1.00 0.00 C ATOM 504 CG1 ILE A 31 17.942 5.576 -0.797 1.00 0.00 C ATOM 505 CG2 ILE A 31 18.446 7.892 -1.618 1.00 0.00 C ATOM 506 CD1 ILE A 31 16.922 4.465 -0.921 1.00 0.00 C ATOM 0 H ILE A 31 14.886 6.629 0.484 1.00 0.00 H new ATOM 0 HA ILE A 31 17.537 7.767 0.921 1.00 0.00 H new ATOM 0 HB ILE A 31 16.586 6.871 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.762 5.385 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.364 5.561 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 31 18.876 7.460 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 31 18.009 8.863 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 31 19.228 8.017 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 31 17.399 3.508 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.113 4.632 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.518 4.453 -1.933 1.00 0.00 H new ATOM 518 N THR A 32 16.767 9.953 -0.166 1.00 0.00 N ATOM 519 CA THR A 32 16.198 11.256 -0.487 1.00 0.00 C ATOM 520 C THR A 32 17.272 12.204 -1.012 1.00 0.00 C ATOM 521 O THR A 32 18.313 12.387 -0.381 1.00 0.00 O ATOM 522 CB THR A 32 15.526 11.862 0.746 1.00 0.00 C ATOM 523 OG1 THR A 32 14.724 10.898 1.404 1.00 0.00 O ATOM 524 CG2 THR A 32 14.644 13.049 0.425 1.00 0.00 C ATOM 0 H THR A 32 17.766 9.968 0.038 1.00 0.00 H new ATOM 0 HA THR A 32 15.450 11.115 -1.267 1.00 0.00 H new ATOM 0 HB THR A 32 16.343 12.199 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.304 11.304 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.198 13.430 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 32 15.243 13.832 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.854 12.741 -0.260 1.00 0.00 H new ATOM 532 N TRP A 33 17.011 12.805 -2.168 1.00 0.00 N ATOM 533 CA TRP A 33 17.955 13.734 -2.777 1.00 0.00 C ATOM 534 C TRP A 33 17.282 15.065 -3.093 1.00 0.00 C ATOM 535 O TRP A 33 16.232 15.106 -3.735 1.00 0.00 O ATOM 536 CB TRP A 33 18.544 13.131 -4.055 1.00 0.00 C ATOM 537 CG TRP A 33 20.018 13.357 -4.194 1.00 0.00 C ATOM 538 CD1 TRP A 33 21.013 12.727 -3.502 1.00 0.00 C ATOM 539 CD2 TRP A 33 20.665 14.278 -5.079 1.00 0.00 C ATOM 540 NE1 TRP A 33 22.239 13.201 -3.903 1.00 0.00 N ATOM 541 CE2 TRP A 33 22.051 14.153 -4.870 1.00 0.00 C ATOM 542 CE3 TRP A 33 20.207 15.196 -6.028 1.00 0.00 C ATOM 543 CZ2 TRP A 33 22.983 14.912 -5.575 1.00 0.00 C ATOM 544 CZ3 TRP A 33 21.132 15.949 -6.728 1.00 0.00 C ATOM 545 CH2 TRP A 33 22.506 15.802 -6.499 1.00 0.00 C ATOM 0 H TRP A 33 16.153 12.665 -2.702 1.00 0.00 H new ATOM 0 HA TRP A 33 18.759 13.915 -2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.345 12.059 -4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 33 18.035 13.560 -4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 33 20.859 11.968 -2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 33 23.141 12.894 -3.540 1.00 0.00 H new ATOM 0 HE3 TRP A 33 19.149 15.315 -6.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 24.043 14.802 -5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 20.789 16.662 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP A 33 23.203 16.403 -7.063 1.00 0.00 H new ATOM 896 N GLY A 53 10.444 9.583 11.728 1.00 0.00 N ATOM 897 CA GLY A 53 9.185 9.244 11.092 1.00 0.00 C ATOM 898 C GLY A 53 9.150 7.811 10.598 1.00 0.00 C ATOM 899 O GLY A 53 9.963 7.416 9.761 1.00 0.00 O ATOM 0 HA2 GLY A 53 8.371 9.401 11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.013 9.918 10.253 1.00 0.00 H new ATOM 903 N GLY A 54 8.207 7.032 11.116 1.00 0.00 N ATOM 904 CA GLY A 54 8.086 5.643 10.711 1.00 0.00 C ATOM 905 C GLY A 54 6.840 4.983 11.267 1.00 0.00 C ATOM 906 O GLY A 54 6.056 5.617 11.974 1.00 0.00 O ATOM 0 H GLY A 54 7.524 7.337 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.069 5.585 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.965 5.092 11.046 1.00 0.00 H new ATOM 910 N GLY A 55 6.657 3.706 10.947 1.00 0.00 N ATOM 911 CA GLY A 55 5.495 2.981 11.429 1.00 0.00 C ATOM 912 C GLY A 55 5.410 1.579 10.859 1.00 0.00 C ATOM 913 O GLY A 55 6.429 0.918 10.663 1.00 0.00 O ATOM 0 H GLY A 55 7.291 3.161 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.530 2.926 12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.592 3.532 11.167 1.00 0.00 H new ATOM 917 N PHE A 56 4.189 1.125 10.594 1.00 0.00 N ATOM 918 CA PHE A 56 3.972 -0.208 10.043 1.00 0.00 C ATOM 919 C PHE A 56 2.855 -0.191 9.004 1.00 0.00 C ATOM 920 O PHE A 56 2.196 0.829 8.806 1.00 0.00 O ATOM 921 CB PHE A 56 3.629 -1.195 11.161 1.00 0.00 C ATOM 922 CG PHE A 56 4.536 -1.089 12.354 1.00 0.00 C ATOM 923 CD1 PHE A 56 5.881 -1.409 12.248 1.00 0.00 C ATOM 924 CD2 PHE A 56 4.045 -0.671 13.580 1.00 0.00 C ATOM 925 CE1 PHE A 56 6.718 -1.313 13.343 1.00 0.00 C ATOM 926 CE2 PHE A 56 4.878 -0.574 14.679 1.00 0.00 C ATOM 927 CZ PHE A 56 6.216 -0.894 14.560 1.00 0.00 C ATOM 0 H PHE A 56 3.335 1.660 10.752 1.00 0.00 H new ATOM 0 HA PHE A 56 4.893 -0.527 9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.601 -1.027 11.480 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.678 -2.210 10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.279 -1.737 11.299 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.000 -0.418 13.678 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.764 -1.565 13.248 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.483 -0.248 15.630 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.869 -0.817 15.417 1.00 0.00 H new ATOM 937 N GLY A 57 2.650 -1.326 8.344 1.00 0.00 N ATOM 938 CA GLY A 57 1.612 -1.415 7.334 1.00 0.00 C ATOM 939 C GLY A 57 1.115 -2.834 7.132 1.00 0.00 C ATOM 940 O GLY A 57 1.908 -3.772 7.052 1.00 0.00 O ATOM 0 H GLY A 57 3.183 -2.184 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.775 -0.778 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.996 -1.030 6.389 1.00 0.00 H new ATOM 944 N LEU A 58 -0.203 -2.989 7.049 1.00 0.00 N ATOM 945 CA LEU A 58 -0.807 -4.302 6.855 1.00 0.00 C ATOM 946 C LEU A 58 -1.357 -4.441 5.439 1.00 0.00 C ATOM 947 O LEU A 58 -1.978 -3.519 4.911 1.00 0.00 O ATOM 948 CB LEU A 58 -1.925 -4.529 7.874 1.00 0.00 C ATOM 949 CG LEU A 58 -2.553 -5.923 7.848 1.00 0.00 C ATOM 950 CD1 LEU A 58 -1.792 -6.868 8.764 1.00 0.00 C ATOM 951 CD2 LEU A 58 -4.019 -5.854 8.247 1.00 0.00 C ATOM 0 H LEU A 58 -0.872 -2.222 7.113 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.034 -5.056 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.528 -4.345 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.708 -3.791 7.701 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.492 -6.310 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.253 -7.855 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.756 -6.941 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.820 -6.487 9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.450 -6.855 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.103 -5.447 9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.556 -5.211 7.550 1.00 0.00 H new ATOM 963 N SER A 59 -1.122 -5.599 4.829 1.00 0.00 N ATOM 964 CA SER A 59 -1.594 -5.856 3.472 1.00 0.00 C ATOM 965 C SER A 59 -2.365 -7.170 3.402 1.00 0.00 C ATOM 966 O SER A 59 -1.976 -8.164 4.014 1.00 0.00 O ATOM 967 CB SER A 59 -0.414 -5.891 2.499 1.00 0.00 C ATOM 968 OG SER A 59 -0.802 -5.449 1.210 1.00 0.00 O ATOM 0 H SER A 59 -0.609 -6.373 5.252 1.00 0.00 H new ATOM 0 HA SER A 59 -2.267 -5.047 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.391 -5.260 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.021 -6.906 2.436 1.00 0.00 H new ATOM 0 HG SER A 59 -0.414 -6.040 0.531 1.00 0.00 H new ATOM 974 N ARG A 60 -3.462 -7.164 2.649 1.00 0.00 N ATOM 975 CA ARG A 60 -4.289 -8.355 2.495 1.00 0.00 C ATOM 976 C ARG A 60 -4.181 -8.911 1.079 1.00 0.00 C ATOM 977 O ARG A 60 -3.789 -8.202 0.152 1.00 0.00 O ATOM 978 CB ARG A 60 -5.749 -8.032 2.819 1.00 0.00 C ATOM 979 CG ARG A 60 -5.989 -7.705 4.284 1.00 0.00 C ATOM 980 CD ARG A 60 -7.444 -7.917 4.670 1.00 0.00 C ATOM 981 NE ARG A 60 -7.660 -7.750 6.105 1.00 0.00 N ATOM 982 CZ ARG A 60 -8.851 -7.527 6.655 1.00 0.00 C ATOM 983 NH1 ARG A 60 -9.936 -7.443 5.895 1.00 0.00 N ATOM 984 NH2 ARG A 60 -8.957 -7.387 7.970 1.00 0.00 N ATOM 0 H ARG A 60 -3.798 -6.348 2.137 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.928 -9.112 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.069 -7.187 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.371 -8.882 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.351 -8.332 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.707 -6.670 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.070 -7.211 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.756 -8.917 4.370 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.850 -7.808 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.860 -7.550 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.846 -7.272 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.126 -7.450 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.869 -7.216 8.393 1.00 0.00 H new ATOM 998 N TRP A 61 -4.529 -10.184 0.919 1.00 0.00 N ATOM 999 CA TRP A 61 -4.469 -10.833 -0.385 1.00 0.00 C ATOM 1000 C TRP A 61 -5.850 -10.893 -1.031 1.00 0.00 C ATOM 1001 O TRP A 61 -6.798 -11.418 -0.447 1.00 0.00 O ATOM 1002 CB TRP A 61 -3.895 -12.244 -0.250 1.00 0.00 C ATOM 1003 CG TRP A 61 -3.654 -12.916 -1.568 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -4.598 -13.443 -2.403 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -2.389 -13.133 -2.202 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -3.995 -13.975 -3.518 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -2.640 -13.796 -3.418 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -1.068 -12.829 -1.861 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -1.619 -14.160 -4.292 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -0.055 -13.192 -2.729 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -0.336 -13.851 -3.933 1.00 0.00 C ATOM 0 H TRP A 61 -4.855 -10.786 1.675 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.815 -10.241 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.956 -12.195 0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -4.580 -12.852 0.340 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.661 -13.442 -2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.478 -14.429 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.843 -12.320 -0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.833 -14.668 -5.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 0.970 -12.964 -2.475 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.477 -14.120 -4.591 1.00 0.00 H new ATOM 1022 N ASP A 62 -5.953 -10.352 -2.240 1.00 0.00 N ATOM 1023 CA ASP A 62 -7.216 -10.344 -2.970 1.00 0.00 C ATOM 1024 C ASP A 62 -7.324 -11.567 -3.874 1.00 0.00 C ATOM 1025 O ASP A 62 -6.361 -11.943 -4.544 1.00 0.00 O ATOM 1026 CB ASP A 62 -7.343 -9.063 -3.800 1.00 0.00 C ATOM 1027 CG ASP A 62 -8.555 -8.240 -3.412 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -9.682 -8.776 -3.478 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -8.378 -7.062 -3.039 1.00 0.00 O ATOM 0 H ASP A 62 -5.177 -9.913 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.029 -10.377 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.443 -8.461 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.407 -9.323 -4.857 1.00 0.00 H new ATOM 1035 N GLU A 63 -8.504 -12.183 -3.885 1.00 0.00 N ATOM 1036 CA GLU A 63 -8.750 -13.370 -4.702 1.00 0.00 C ATOM 1037 C GLU A 63 -8.371 -13.130 -6.161 1.00 0.00 C ATOM 1038 O GLU A 63 -8.081 -14.072 -6.897 1.00 0.00 O ATOM 1039 CB GLU A 63 -10.220 -13.780 -4.607 1.00 0.00 C ATOM 1040 CG GLU A 63 -10.537 -15.080 -5.326 1.00 0.00 C ATOM 1041 CD GLU A 63 -11.836 -15.016 -6.105 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -12.194 -13.914 -6.570 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -12.495 -16.067 -6.249 1.00 0.00 O ATOM 0 H GLU A 63 -9.308 -11.879 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.124 -14.175 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.493 -13.880 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.838 -12.984 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.721 -15.322 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.594 -15.889 -4.597 1.00 0.00 H new ATOM 1051 N LYS A 64 -8.372 -11.866 -6.573 1.00 0.00 N ATOM 1052 CA LYS A 64 -8.025 -11.512 -7.945 1.00 0.00 C ATOM 1053 C LYS A 64 -6.541 -11.173 -8.060 1.00 0.00 C ATOM 1054 O LYS A 64 -6.151 -10.321 -8.858 1.00 0.00 O ATOM 1055 CB LYS A 64 -8.869 -10.326 -8.416 1.00 0.00 C ATOM 1056 CG LYS A 64 -9.224 -10.381 -9.893 1.00 0.00 C ATOM 1057 CD LYS A 64 -10.660 -10.834 -10.106 1.00 0.00 C ATOM 1058 CE LYS A 64 -11.597 -9.650 -10.289 1.00 0.00 C ATOM 1059 NZ LYS A 64 -12.797 -10.009 -11.094 1.00 0.00 N ATOM 0 H LYS A 64 -8.609 -11.072 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.233 -12.373 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.788 -10.290 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.327 -9.402 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.082 -9.397 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.546 -11.064 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.713 -11.480 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.986 -11.428 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.912 -9.282 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.062 -8.836 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.409 -9.175 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.499 -10.336 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.322 -10.768 -10.615 1.00 0.00 H new ATOM 1073 N GLY A 65 -5.718 -11.843 -7.257 1.00 0.00 N ATOM 1074 CA GLY A 65 -4.288 -11.597 -7.285 1.00 0.00 C ATOM 1075 C GLY A 65 -3.947 -10.140 -7.045 1.00 0.00 C ATOM 1076 O GLY A 65 -3.164 -9.548 -7.788 1.00 0.00 O ATOM 0 H GLY A 65 -6.017 -12.552 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.802 -12.211 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.888 -11.907 -8.250 1.00 0.00 H new ATOM 1080 N ASN A 66 -4.541 -9.558 -6.007 1.00 0.00 N ATOM 1081 CA ASN A 66 -4.296 -8.158 -5.677 1.00 0.00 C ATOM 1082 C ASN A 66 -3.756 -8.012 -4.257 1.00 0.00 C ATOM 1083 O ASN A 66 -3.894 -8.915 -3.434 1.00 0.00 O ATOM 1084 CB ASN A 66 -5.583 -7.344 -5.835 1.00 0.00 C ATOM 1085 CG ASN A 66 -5.540 -6.422 -7.038 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -4.439 -5.696 -7.189 1.00 0.00 O flip ATOM 1087 ND2 ASN A 66 -6.485 -6.364 -7.825 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.193 -10.032 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.544 -7.776 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.430 -8.023 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.749 -6.754 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.313 -6.940 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.440 -5.740 -8.631 1.00 0.00 H new ATOM 1094 N TRP A 67 -3.141 -6.866 -3.978 1.00 0.00 N ATOM 1095 CA TRP A 67 -2.583 -6.599 -2.658 1.00 0.00 C ATOM 1096 C TRP A 67 -3.115 -5.281 -2.104 1.00 0.00 C ATOM 1097 O TRP A 67 -2.557 -4.216 -2.367 1.00 0.00 O ATOM 1098 CB TRP A 67 -1.054 -6.565 -2.724 1.00 0.00 C ATOM 1099 CG TRP A 67 -0.401 -7.621 -1.886 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -0.645 -8.963 -1.923 1.00 0.00 C ATOM 1101 CD2 TRP A 67 0.605 -7.423 -0.886 1.00 0.00 C ATOM 1102 NE1 TRP A 67 0.147 -9.612 -1.007 1.00 0.00 N ATOM 1103 CE2 TRP A 67 0.924 -8.689 -0.358 1.00 0.00 C ATOM 1104 CE3 TRP A 67 1.269 -6.298 -0.385 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 1.875 -8.859 0.645 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 2.212 -6.470 0.610 1.00 0.00 C ATOM 1107 CH2 TRP A 67 2.508 -7.743 1.115 1.00 0.00 C ATOM 0 H TRP A 67 -3.017 -6.108 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.889 -7.403 -1.988 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.739 -6.687 -3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.705 -5.585 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.357 -9.445 -2.577 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.155 -10.618 -0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.048 -5.313 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.104 -9.839 1.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.730 -5.609 1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.252 -7.844 1.892 1.00 0.00 H new ATOM 1118 N HIS A 68 -4.200 -5.360 -1.341 1.00 0.00 N ATOM 1119 CA HIS A 68 -4.811 -4.172 -0.753 1.00 0.00 C ATOM 1120 C HIS A 68 -4.843 -4.269 0.769 1.00 0.00 C ATOM 1121 O HIS A 68 -5.112 -5.333 1.328 1.00 0.00 O ATOM 1122 CB HIS A 68 -6.229 -3.986 -1.293 1.00 0.00 C ATOM 1123 CG HIS A 68 -6.680 -2.558 -1.311 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -7.962 -2.170 -0.984 1.00 0.00 N ATOM 1125 CD2 HIS A 68 -6.012 -1.420 -1.620 1.00 0.00 C ATOM 1126 CE1 HIS A 68 -8.063 -0.857 -1.092 1.00 0.00 C ATOM 1127 NE2 HIS A 68 -6.894 -0.379 -1.474 1.00 0.00 N ATOM 0 H HIS A 68 -4.675 -6.234 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.206 -3.309 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.279 -4.387 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.920 -4.569 -0.685 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.715 -2.798 -0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.978 -1.346 -1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.952 -0.274 -0.900 1.00 0.00 H new ATOM 1136 N GLY A 69 -4.570 -3.152 1.433 1.00 0.00 N ATOM 1137 CA GLY A 69 -4.575 -3.130 2.885 1.00 0.00 C ATOM 1138 C GLY A 69 -4.449 -1.725 3.442 1.00 0.00 C ATOM 1139 O GLY A 69 -4.524 -0.747 2.700 1.00 0.00 O ATOM 0 H GLY A 69 -4.345 -2.260 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.498 -3.581 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.753 -3.741 3.258 1.00 0.00 H new ATOM 1143 N LEU A 70 -4.255 -1.626 4.754 1.00 0.00 N ATOM 1144 CA LEU A 70 -4.118 -0.331 5.409 1.00 0.00 C ATOM 1145 C LEU A 70 -2.649 0.056 5.544 1.00 0.00 C ATOM 1146 O LEU A 70 -1.761 -0.781 5.382 1.00 0.00 O ATOM 1147 CB LEU A 70 -4.777 -0.361 6.789 1.00 0.00 C ATOM 1148 CG LEU A 70 -4.415 -1.570 7.654 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -4.334 -1.174 9.120 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -5.428 -2.688 7.457 1.00 0.00 C ATOM 0 H LEU A 70 -4.189 -2.426 5.383 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.618 0.415 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.501 0.546 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.859 -0.338 6.659 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.436 -1.934 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.076 -2.047 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.570 -0.407 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.298 -0.783 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.155 -3.540 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.420 -2.335 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.436 -2.991 6.410 1.00 0.00 H new ATOM 1162 N TYR A 71 -2.399 1.328 5.841 1.00 0.00 N ATOM 1163 CA TYR A 71 -1.036 1.819 5.998 1.00 0.00 C ATOM 1164 C TYR A 71 -0.926 2.718 7.224 1.00 0.00 C ATOM 1165 O TYR A 71 -1.585 3.754 7.304 1.00 0.00 O ATOM 1166 CB TYR A 71 -0.599 2.584 4.746 1.00 0.00 C ATOM 1167 CG TYR A 71 0.811 2.268 4.304 1.00 0.00 C ATOM 1168 CD1 TYR A 71 1.867 2.307 5.206 1.00 0.00 C ATOM 1169 CD2 TYR A 71 1.088 1.930 2.985 1.00 0.00 C ATOM 1170 CE1 TYR A 71 3.158 2.019 4.807 1.00 0.00 C ATOM 1171 CE2 TYR A 71 2.376 1.641 2.578 1.00 0.00 C ATOM 1172 CZ TYR A 71 3.407 1.686 3.491 1.00 0.00 C ATOM 1173 OH TYR A 71 4.692 1.398 3.090 1.00 0.00 O ATOM 0 H TYR A 71 -3.121 2.035 5.977 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.378 0.961 6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.286 2.354 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.679 3.654 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.675 2.567 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.283 1.893 2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.968 2.054 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.574 1.381 1.549 1.00 0.00 H new ATOM 0 HH TYR A 71 5.249 2.200 3.175 1.00 0.00 H new ATOM 1183 N ALA A 72 -0.092 2.310 8.175 1.00 0.00 N ATOM 1184 CA ALA A 72 0.103 3.074 9.400 1.00 0.00 C ATOM 1185 C ALA A 72 1.415 3.850 9.364 1.00 0.00 C ATOM 1186 O ALA A 72 2.473 3.289 9.083 1.00 0.00 O ATOM 1187 CB ALA A 72 0.068 2.150 10.608 1.00 0.00 C ATOM 0 H ALA A 72 0.460 1.454 8.120 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.711 3.794 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.215 2.734 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.897 1.646 10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.861 1.408 10.521 1.00 0.00 H new ATOM 1193 N MET A 73 1.335 5.144 9.655 1.00 0.00 N ATOM 1194 CA MET A 73 2.515 6.001 9.659 1.00 0.00 C ATOM 1195 C MET A 73 2.370 7.116 10.689 1.00 0.00 C ATOM 1196 O MET A 73 1.421 7.898 10.641 1.00 0.00 O ATOM 1197 CB MET A 73 2.743 6.599 8.270 1.00 0.00 C ATOM 1198 CG MET A 73 4.210 6.708 7.887 1.00 0.00 C ATOM 1199 SD MET A 73 5.043 8.079 8.710 1.00 0.00 S ATOM 1200 CE MET A 73 6.585 8.134 7.800 1.00 0.00 C ATOM 0 H MET A 73 0.466 5.622 9.891 1.00 0.00 H new ATOM 0 HA MET A 73 3.377 5.391 9.928 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.228 5.986 7.531 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.292 7.590 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.717 5.776 8.138 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.291 6.834 6.807 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.211 8.935 8.193 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.104 7.182 7.906 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.379 8.319 6.746 1.00 0.00 H new ATOM 1210 N ALA A 74 3.313 7.180 11.623 1.00 0.00 N ATOM 1211 CA ALA A 74 3.286 8.200 12.665 1.00 0.00 C ATOM 1212 C ALA A 74 4.590 8.987 12.697 1.00 0.00 C ATOM 1213 O ALA A 74 5.676 8.410 12.726 1.00 0.00 O ATOM 1214 CB ALA A 74 3.022 7.559 14.020 1.00 0.00 C ATOM 0 H ALA A 74 4.104 6.539 11.680 1.00 0.00 H new ATOM 0 HA ALA A 74 2.478 8.896 12.438 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.004 8.330 14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.061 7.045 13.998 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.812 6.842 14.243 1.00 0.00 H new ATOM 1220 N PHE A 75 4.476 10.312 12.695 1.00 0.00 N ATOM 1221 CA PHE A 75 5.647 11.179 12.726 1.00 0.00 C ATOM 1222 C PHE A 75 5.783 11.855 14.087 1.00 0.00 C ATOM 1223 O PHE A 75 4.976 12.711 14.449 1.00 0.00 O ATOM 1224 CB PHE A 75 5.555 12.237 11.625 1.00 0.00 C ATOM 1225 CG PHE A 75 6.827 13.015 11.433 1.00 0.00 C ATOM 1226 CD1 PHE A 75 7.152 14.056 12.287 1.00 0.00 C ATOM 1227 CD2 PHE A 75 7.696 12.703 10.400 1.00 0.00 C ATOM 1228 CE1 PHE A 75 8.322 14.772 12.114 1.00 0.00 C ATOM 1229 CE2 PHE A 75 8.866 13.416 10.221 1.00 0.00 C ATOM 1230 CZ PHE A 75 9.179 14.452 11.079 1.00 0.00 C ATOM 0 H PHE A 75 3.585 10.807 12.672 1.00 0.00 H new ATOM 0 HA PHE A 75 6.530 10.564 12.554 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.291 11.751 10.686 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.748 12.929 11.864 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.484 14.311 13.097 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.456 11.893 9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.566 15.581 12.787 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.535 13.164 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.093 15.011 10.941 1.00 0.00 H new ATOM 1240 N LYS A 76 6.809 11.465 14.837 1.00 0.00 N ATOM 1241 CA LYS A 76 7.050 12.032 16.158 1.00 0.00 C ATOM 1242 C LYS A 76 8.115 13.121 16.097 1.00 0.00 C ATOM 1243 O LYS A 76 9.103 12.998 15.371 1.00 0.00 O ATOM 1244 CB LYS A 76 7.476 10.936 17.137 1.00 0.00 C ATOM 1245 CG LYS A 76 6.317 10.324 17.907 1.00 0.00 C ATOM 1246 CD LYS A 76 6.802 9.319 18.938 1.00 0.00 C ATOM 1247 CE LYS A 76 5.864 9.250 20.132 1.00 0.00 C ATOM 1248 NZ LYS A 76 5.931 10.484 20.963 1.00 0.00 N ATOM 0 H LYS A 76 7.487 10.758 14.552 1.00 0.00 H new ATOM 0 HA LYS A 76 6.120 12.480 16.509 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.991 10.149 16.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.193 11.352 17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.752 11.113 18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.636 9.834 17.212 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.881 8.334 18.478 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.801 9.595 19.274 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.842 9.103 19.783 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.119 8.385 20.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.562 10.283 21.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.919 10.801 21.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.359 11.232 20.521 1.00 0.00 H new ATOM 1262 N ASP A 77 7.909 14.185 16.865 1.00 0.00 N ATOM 1263 CA ASP A 77 8.851 15.297 16.900 1.00 0.00 C ATOM 1264 C ASP A 77 9.655 15.287 18.197 1.00 0.00 C ATOM 1265 O ASP A 77 9.272 14.640 19.172 1.00 0.00 O ATOM 1266 CB ASP A 77 8.110 16.626 16.756 1.00 0.00 C ATOM 1267 CG ASP A 77 8.886 17.637 15.935 1.00 0.00 C ATOM 1268 OD1 ASP A 77 8.690 17.676 14.703 1.00 0.00 O ATOM 1269 OD2 ASP A 77 9.690 18.389 16.525 1.00 0.00 O ATOM 0 H ASP A 77 7.097 14.301 17.472 1.00 0.00 H new ATOM 0 HA ASP A 77 9.541 15.183 16.064 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.141 16.449 16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.915 17.039 17.746 1.00 0.00 H new ATOM 1275 N SER A 78 10.771 16.010 18.201 1.00 0.00 N ATOM 1276 CA SER A 78 11.628 16.085 19.378 1.00 0.00 C ATOM 1277 C SER A 78 10.890 16.708 20.561 1.00 0.00 C ATOM 1278 O SER A 78 11.296 16.541 21.711 1.00 0.00 O ATOM 1279 CB SER A 78 12.886 16.898 19.064 1.00 0.00 C ATOM 1280 OG SER A 78 13.971 16.497 19.883 1.00 0.00 O ATOM 0 H SER A 78 11.102 16.552 17.403 1.00 0.00 H new ATOM 0 HA SER A 78 11.913 15.069 19.650 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.152 16.771 18.015 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.685 17.958 19.216 1.00 0.00 H new ATOM 0 HG SER A 78 14.763 17.030 19.662 1.00 0.00 H new ATOM 1286 N TRP A 79 9.807 17.425 20.274 1.00 0.00 N ATOM 1287 CA TRP A 79 9.020 18.069 21.321 1.00 0.00 C ATOM 1288 C TRP A 79 7.536 18.058 20.969 1.00 0.00 C ATOM 1289 O TRP A 79 6.690 17.772 21.817 1.00 0.00 O ATOM 1290 CB TRP A 79 9.494 19.508 21.532 1.00 0.00 C ATOM 1291 CG TRP A 79 9.157 20.051 22.887 1.00 0.00 C ATOM 1292 CD1 TRP A 79 8.537 21.234 23.165 1.00 0.00 C ATOM 1293 CD2 TRP A 79 9.423 19.431 24.150 1.00 0.00 C ATOM 1294 NE1 TRP A 79 8.401 21.389 24.523 1.00 0.00 N ATOM 1295 CE2 TRP A 79 8.936 20.294 25.150 1.00 0.00 C ATOM 1296 CE3 TRP A 79 10.023 18.227 24.533 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 9.034 19.993 26.506 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 10.119 17.931 25.880 1.00 0.00 C ATOM 1299 CH2 TRP A 79 9.625 18.810 26.852 1.00 0.00 C ATOM 0 H TRP A 79 9.455 17.574 19.328 1.00 0.00 H new ATOM 0 HA TRP A 79 9.161 17.508 22.245 1.00 0.00 H new ATOM 0 HB2 TRP A 79 10.574 19.552 21.389 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.045 20.146 20.771 1.00 0.00 H new ATOM 0 HD1 TRP A 79 8.202 21.945 22.425 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.972 22.189 24.989 1.00 0.00 H new ATOM 0 HE3 TRP A 79 10.404 17.542 23.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 8.656 20.670 27.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.583 17.006 26.188 1.00 0.00 H new ATOM 0 HH2 TRP A 79 9.713 18.548 27.896 1.00 0.00 H new ATOM 1310 N ASN A 80 7.227 18.371 19.715 1.00 0.00 N ATOM 1311 CA ASN A 80 5.846 18.397 19.249 1.00 0.00 C ATOM 1312 C ASN A 80 5.158 17.057 19.502 1.00 0.00 C ATOM 1313 O ASN A 80 5.698 16.189 20.187 1.00 0.00 O ATOM 1314 CB ASN A 80 5.797 18.739 17.757 1.00 0.00 C ATOM 1315 CG ASN A 80 5.285 20.144 17.503 1.00 0.00 C ATOM 1316 OD1 ASN A 80 5.885 20.908 16.747 1.00 0.00 O ATOM 1317 ND2 ASN A 80 4.170 20.491 18.134 1.00 0.00 N ATOM 0 H ASN A 80 7.916 18.611 19.002 1.00 0.00 H new ATOM 0 HA ASN A 80 5.314 19.166 19.809 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.795 18.636 17.330 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.155 18.023 17.244 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.778 21.423 18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.705 19.825 18.752 1.00 0.00 H new ATOM 1324 N LYS A 81 3.963 16.900 18.945 1.00 0.00 N ATOM 1325 CA LYS A 81 3.199 15.668 19.109 1.00 0.00 C ATOM 1326 C LYS A 81 3.402 14.736 17.920 1.00 0.00 C ATOM 1327 O LYS A 81 4.210 15.011 17.033 1.00 0.00 O ATOM 1328 CB LYS A 81 1.711 15.987 19.276 1.00 0.00 C ATOM 1329 CG LYS A 81 1.256 16.035 20.725 1.00 0.00 C ATOM 1330 CD LYS A 81 -0.050 16.798 20.874 1.00 0.00 C ATOM 1331 CE LYS A 81 0.141 18.284 20.617 1.00 0.00 C ATOM 1332 NZ LYS A 81 1.310 18.830 21.358 1.00 0.00 N ATOM 0 H LYS A 81 3.502 17.610 18.376 1.00 0.00 H new ATOM 0 HA LYS A 81 3.559 15.163 20.005 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.499 16.947 18.806 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.126 15.236 18.745 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.131 15.020 21.102 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.026 16.508 21.334 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.787 16.399 20.177 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.447 16.649 21.878 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.277 18.453 19.549 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.760 18.822 20.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.162 19.843 21.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.415 18.325 22.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.171 18.705 20.789 1.00 0.00 H new ATOM 1346 N TRP A 82 2.663 13.631 17.908 1.00 0.00 N ATOM 1347 CA TRP A 82 2.759 12.657 16.828 1.00 0.00 C ATOM 1348 C TRP A 82 1.512 12.697 15.949 1.00 0.00 C ATOM 1349 O TRP A 82 0.400 12.879 16.443 1.00 0.00 O ATOM 1350 CB TRP A 82 2.958 11.249 17.396 1.00 0.00 C ATOM 1351 CG TRP A 82 1.784 10.748 18.181 1.00 0.00 C ATOM 1352 CD1 TRP A 82 1.355 11.200 19.396 1.00 0.00 C ATOM 1353 CD2 TRP A 82 0.889 9.694 17.807 1.00 0.00 C ATOM 1354 NE1 TRP A 82 0.247 10.493 19.798 1.00 0.00 N ATOM 1355 CE2 TRP A 82 -0.058 9.564 18.839 1.00 0.00 C ATOM 1356 CE3 TRP A 82 0.796 8.849 16.697 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 -1.084 8.622 18.795 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 -0.223 7.915 16.654 1.00 0.00 C ATOM 1359 CH2 TRP A 82 -1.151 7.809 17.698 1.00 0.00 C ATOM 0 H TRP A 82 1.990 13.388 18.635 1.00 0.00 H new ATOM 0 HA TRP A 82 3.622 12.915 16.214 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.157 10.560 16.575 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.841 11.246 18.036 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.819 11.997 19.959 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.265 10.637 20.669 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.507 8.924 15.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.800 8.537 19.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.305 7.257 15.802 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.936 7.070 17.635 1.00 0.00 H new ATOM 1370 N GLU A 83 1.706 12.530 14.645 1.00 0.00 N ATOM 1371 CA GLU A 83 0.596 12.551 13.698 1.00 0.00 C ATOM 1372 C GLU A 83 0.409 11.185 13.039 1.00 0.00 C ATOM 1373 O GLU A 83 1.233 10.763 12.227 1.00 0.00 O ATOM 1374 CB GLU A 83 0.838 13.617 12.627 1.00 0.00 C ATOM 1375 CG GLU A 83 0.286 14.985 12.994 1.00 0.00 C ATOM 1376 CD GLU A 83 1.041 15.630 14.140 1.00 0.00 C ATOM 1377 OE1 GLU A 83 0.742 15.301 15.308 1.00 0.00 O ATOM 1378 OE2 GLU A 83 1.931 16.462 13.870 1.00 0.00 O ATOM 0 H GLU A 83 2.621 12.379 14.220 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.313 12.793 14.248 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.910 13.703 12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.384 13.290 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.331 15.637 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.765 14.888 13.265 1.00 0.00 H new ATOM 1386 N PRO A 84 -0.682 10.471 13.378 1.00 0.00 N ATOM 1387 CA PRO A 84 -0.966 9.150 12.810 1.00 0.00 C ATOM 1388 C PRO A 84 -1.473 9.236 11.374 1.00 0.00 C ATOM 1389 O PRO A 84 -1.948 10.285 10.936 1.00 0.00 O ATOM 1390 CB PRO A 84 -2.059 8.603 13.728 1.00 0.00 C ATOM 1391 CG PRO A 84 -2.765 9.814 14.230 1.00 0.00 C ATOM 1392 CD PRO A 84 -1.721 10.893 14.339 1.00 0.00 C ATOM 0 HA PRO A 84 -0.075 8.524 12.761 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.738 7.943 13.188 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.635 8.022 14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.562 10.111 13.548 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.229 9.621 15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.128 11.872 14.085 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.324 10.966 15.352 1.00 0.00 H new ATOM 1400 N ILE A 85 -1.369 8.130 10.645 1.00 0.00 N ATOM 1401 CA ILE A 85 -1.817 8.087 9.259 1.00 0.00 C ATOM 1402 C ILE A 85 -2.390 6.717 8.905 1.00 0.00 C ATOM 1403 O ILE A 85 -1.811 5.685 9.242 1.00 0.00 O ATOM 1404 CB ILE A 85 -0.669 8.417 8.286 1.00 0.00 C ATOM 1405 CG1 ILE A 85 0.020 9.719 8.700 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -1.192 8.520 6.861 1.00 0.00 C ATOM 1407 CD1 ILE A 85 1.214 10.070 7.840 1.00 0.00 C ATOM 0 H ILE A 85 -0.979 7.253 10.991 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.598 8.841 9.158 1.00 0.00 H new ATOM 0 HB ILE A 85 0.063 7.610 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.703 10.534 8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.342 9.636 9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.368 8.754 6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.642 7.571 6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.942 9.309 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.653 11.004 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.956 9.274 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.895 10.185 6.804 1.00 0.00 H new ATOM 1419 N ALA A 86 -3.529 6.719 8.221 1.00 0.00 N ATOM 1420 CA ALA A 86 -4.184 5.485 7.813 1.00 0.00 C ATOM 1421 C ALA A 86 -4.710 5.601 6.387 1.00 0.00 C ATOM 1422 O ALA A 86 -5.565 6.439 6.100 1.00 0.00 O ATOM 1423 CB ALA A 86 -5.317 5.146 8.771 1.00 0.00 C ATOM 0 H ALA A 86 -4.019 7.567 7.937 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.450 4.680 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.798 4.221 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.917 5.020 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.049 5.954 8.770 1.00 0.00 H new ATOM 1429 N GLY A 87 -4.194 4.763 5.495 1.00 0.00 N ATOM 1430 CA GLY A 87 -4.629 4.804 4.111 1.00 0.00 C ATOM 1431 C GLY A 87 -4.685 3.432 3.470 1.00 0.00 C ATOM 1432 O GLY A 87 -4.195 2.455 4.034 1.00 0.00 O ATOM 0 H GLY A 87 -3.486 4.059 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.616 5.264 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.951 5.439 3.541 1.00 0.00 H new ATOM 1436 N TYR A 88 -5.284 3.360 2.285 1.00 0.00 N ATOM 1437 CA TYR A 88 -5.403 2.100 1.563 1.00 0.00 C ATOM 1438 C TYR A 88 -4.278 1.951 0.544 1.00 0.00 C ATOM 1439 O TYR A 88 -4.157 2.752 -0.382 1.00 0.00 O ATOM 1440 CB TYR A 88 -6.759 2.017 0.860 1.00 0.00 C ATOM 1441 CG TYR A 88 -7.937 2.195 1.791 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -8.438 1.123 2.519 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -8.546 3.433 1.941 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -9.515 1.282 3.371 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -9.623 3.600 2.793 1.00 0.00 C ATOM 1446 CZ TYR A 88 -10.103 2.522 3.505 1.00 0.00 C ATOM 1447 OH TYR A 88 -11.175 2.684 4.352 1.00 0.00 O ATOM 0 H TYR A 88 -5.695 4.161 1.805 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.326 1.287 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.803 2.780 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.842 1.050 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.979 0.151 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.173 4.280 1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.894 0.439 3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.085 4.570 2.900 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.470 3.618 4.331 1.00 0.00 H new ATOM 1457 N GLY A 89 -3.456 0.923 0.725 1.00 0.00 N ATOM 1458 CA GLY A 89 -2.350 0.691 -0.186 1.00 0.00 C ATOM 1459 C GLY A 89 -2.650 -0.390 -1.204 1.00 0.00 C ATOM 1460 O GLY A 89 -2.799 -1.561 -0.852 1.00 0.00 O ATOM 0 H GLY A 89 -3.535 0.247 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.112 1.619 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.466 0.411 0.386 1.00 0.00 H new ATOM 1464 N TRP A 90 -2.740 0.001 -2.471 1.00 0.00 N ATOM 1465 CA TRP A 90 -3.023 -0.942 -3.546 1.00 0.00 C ATOM 1466 C TRP A 90 -1.760 -1.249 -4.343 1.00 0.00 C ATOM 1467 O TRP A 90 -1.230 -0.385 -5.041 1.00 0.00 O ATOM 1468 CB TRP A 90 -4.104 -0.383 -4.473 1.00 0.00 C ATOM 1469 CG TRP A 90 -4.728 -1.424 -5.351 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -5.221 -2.636 -4.962 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -4.928 -1.345 -6.768 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -5.715 -3.315 -6.049 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -5.546 -2.544 -7.169 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -4.643 -0.376 -7.734 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -5.885 -2.799 -8.495 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -4.981 -0.631 -9.051 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -5.596 -1.833 -9.421 1.00 0.00 C ATOM 0 H TRP A 90 -2.621 0.966 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 90 -3.384 -1.868 -3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -4.881 0.088 -3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -3.669 0.397 -5.098 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -5.222 -3.007 -3.948 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -6.139 -4.243 -6.026 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -4.168 0.554 -7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.359 -3.726 -8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.767 0.110 -9.807 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.847 -2.002 -10.458 1.00 0.00 H new ATOM 1488 N GLU A 91 -1.281 -2.484 -4.234 1.00 0.00 N ATOM 1489 CA GLU A 91 -0.079 -2.903 -4.944 1.00 0.00 C ATOM 1490 C GLU A 91 -0.382 -4.048 -5.904 1.00 0.00 C ATOM 1491 O GLU A 91 -1.011 -5.037 -5.528 1.00 0.00 O ATOM 1492 CB GLU A 91 1.002 -3.331 -3.949 1.00 0.00 C ATOM 1493 CG GLU A 91 2.418 -3.107 -4.456 1.00 0.00 C ATOM 1494 CD GLU A 91 3.441 -3.943 -3.712 1.00 0.00 C ATOM 1495 OE1 GLU A 91 4.367 -4.468 -4.364 1.00 0.00 O ATOM 1496 OE2 GLU A 91 3.316 -4.071 -2.475 1.00 0.00 O ATOM 0 H GLU A 91 -1.707 -3.212 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 91 0.283 -2.054 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.867 -2.780 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.871 -4.388 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.462 -3.346 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.674 -2.052 -4.356 1.00 0.00 H new ATOM 1504 N SER A 92 0.071 -3.906 -7.147 1.00 0.00 N ATOM 1505 CA SER A 92 -0.149 -4.929 -8.162 1.00 0.00 C ATOM 1506 C SER A 92 1.150 -5.662 -8.482 1.00 0.00 C ATOM 1507 O SER A 92 2.023 -5.127 -9.166 1.00 0.00 O ATOM 1508 CB SER A 92 -0.721 -4.300 -9.434 1.00 0.00 C ATOM 1509 OG SER A 92 -1.573 -3.210 -9.125 1.00 0.00 O ATOM 0 H SER A 92 0.592 -3.093 -7.474 1.00 0.00 H new ATOM 0 HA SER A 92 -0.866 -5.650 -7.769 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.094 -3.959 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.275 -5.051 -9.997 1.00 0.00 H new ATOM 0 HG SER A 92 -1.924 -2.824 -9.954 1.00 0.00 H new ATOM 1515 N THR A 93 1.271 -6.887 -7.981 1.00 0.00 N ATOM 1516 CA THR A 93 2.464 -7.693 -8.211 1.00 0.00 C ATOM 1517 C THR A 93 2.512 -8.205 -9.647 1.00 0.00 C ATOM 1518 O THR A 93 1.500 -8.642 -10.195 1.00 0.00 O ATOM 1519 CB THR A 93 2.502 -8.873 -7.237 1.00 0.00 C ATOM 1520 OG1 THR A 93 1.756 -8.582 -6.069 1.00 0.00 O ATOM 1521 CG2 THR A 93 3.904 -9.247 -6.806 1.00 0.00 C ATOM 0 H THR A 93 0.557 -7.343 -7.413 1.00 0.00 H new ATOM 0 HA THR A 93 3.335 -7.060 -8.043 1.00 0.00 H new ATOM 0 HB THR A 93 2.071 -9.713 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.791 -9.348 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.860 -10.090 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.492 -9.524 -7.681 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.371 -8.396 -6.310 1.00 0.00 H new ATOM 1529 N TRP A 94 3.695 -8.147 -10.250 1.00 0.00 N ATOM 1530 CA TRP A 94 3.878 -8.605 -11.622 1.00 0.00 C ATOM 1531 C TRP A 94 5.264 -9.217 -11.809 1.00 0.00 C ATOM 1532 O TRP A 94 6.259 -8.686 -11.314 1.00 0.00 O ATOM 1533 CB TRP A 94 3.679 -7.445 -12.601 1.00 0.00 C ATOM 1534 CG TRP A 94 2.571 -7.679 -13.582 1.00 0.00 C ATOM 1535 CD1 TRP A 94 1.233 -7.542 -13.354 1.00 0.00 C ATOM 1536 CD2 TRP A 94 2.707 -8.093 -14.946 1.00 0.00 C ATOM 1537 NE1 TRP A 94 0.527 -7.845 -14.494 1.00 0.00 N ATOM 1538 CE2 TRP A 94 1.410 -8.186 -15.484 1.00 0.00 C ATOM 1539 CE3 TRP A 94 3.800 -8.393 -15.765 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 1.177 -8.566 -16.804 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 3.567 -8.770 -17.074 1.00 0.00 C ATOM 1542 CH2 TRP A 94 2.265 -8.854 -17.583 1.00 0.00 C ATOM 0 H TRP A 94 4.542 -7.787 -9.809 1.00 0.00 H new ATOM 0 HA TRP A 94 3.132 -9.373 -11.827 1.00 0.00 H new ATOM 0 HB2 TRP A 94 3.470 -6.536 -12.038 1.00 0.00 H new ATOM 0 HB3 TRP A 94 4.608 -7.276 -13.146 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.793 -7.240 -12.415 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.488 -7.820 -14.587 1.00 0.00 H new ATOM 0 HE3 TRP A 94 4.808 -8.331 -15.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.174 -8.631 -17.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 4.404 -9.004 -17.716 1.00 0.00 H new ATOM 0 HH2 TRP A 94 2.116 -9.152 -18.610 1.00 0.00 H new ATOM 1553 N ARG A 95 5.322 -10.336 -12.523 1.00 0.00 N ATOM 1554 CA ARG A 95 6.586 -11.018 -12.773 1.00 0.00 C ATOM 1555 C ARG A 95 6.767 -11.302 -14.264 1.00 0.00 C ATOM 1556 O ARG A 95 5.847 -11.783 -14.925 1.00 0.00 O ATOM 1557 CB ARG A 95 6.647 -12.326 -11.983 1.00 0.00 C ATOM 1558 CG ARG A 95 5.520 -13.290 -12.314 1.00 0.00 C ATOM 1559 CD ARG A 95 4.524 -13.407 -11.170 1.00 0.00 C ATOM 1560 NE ARG A 95 5.145 -13.926 -9.952 1.00 0.00 N ATOM 1561 CZ ARG A 95 5.538 -13.168 -8.929 1.00 0.00 C ATOM 1562 NH1 ARG A 95 5.390 -11.849 -8.967 1.00 0.00 N ATOM 1563 NH2 ARG A 95 6.087 -13.733 -7.861 1.00 0.00 N ATOM 0 H ARG A 95 4.508 -10.790 -12.939 1.00 0.00 H new ATOM 0 HA ARG A 95 7.394 -10.364 -12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.601 -12.815 -12.179 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.618 -12.099 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.004 -12.951 -13.212 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.936 -14.273 -12.536 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.090 -12.428 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.706 -14.063 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 95 5.286 -14.934 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.972 -11.406 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.694 -11.279 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.207 -14.745 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.389 -13.155 -7.077 1.00 0.00 H new ATOM 1577 N PRO A 96 7.959 -11.010 -14.818 1.00 0.00 N ATOM 1578 CA PRO A 96 8.246 -11.240 -16.239 1.00 0.00 C ATOM 1579 C PRO A 96 8.033 -12.697 -16.641 1.00 0.00 C ATOM 1580 O PRO A 96 7.371 -13.457 -15.933 1.00 0.00 O ATOM 1581 CB PRO A 96 9.723 -10.861 -16.380 1.00 0.00 C ATOM 1582 CG PRO A 96 10.001 -9.959 -15.229 1.00 0.00 C ATOM 1583 CD PRO A 96 9.117 -10.432 -14.111 1.00 0.00 C ATOM 0 HA PRO A 96 7.584 -10.661 -16.883 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.361 -11.744 -16.353 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.913 -10.360 -17.329 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.052 -10.005 -14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.785 -8.922 -15.485 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.618 -11.172 -13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.821 -9.612 -13.457 1.00 0.00 H new ATOM 1591 N LEU A 97 8.600 -13.080 -17.780 1.00 0.00 N ATOM 1592 CA LEU A 97 8.475 -14.445 -18.275 1.00 0.00 C ATOM 1593 C LEU A 97 9.543 -15.346 -17.663 1.00 0.00 C ATOM 1594 O LEU A 97 9.329 -16.545 -17.482 1.00 0.00 O ATOM 1595 CB LEU A 97 8.583 -14.468 -19.801 1.00 0.00 C ATOM 1596 CG LEU A 97 8.452 -15.852 -20.439 1.00 0.00 C ATOM 1597 CD1 LEU A 97 7.008 -16.324 -20.399 1.00 0.00 C ATOM 1598 CD2 LEU A 97 8.969 -15.829 -21.869 1.00 0.00 C ATOM 0 H LEU A 97 9.151 -12.464 -18.378 1.00 0.00 H new ATOM 0 HA LEU A 97 7.496 -14.823 -17.982 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.810 -13.820 -20.214 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.544 -14.042 -20.088 1.00 0.00 H new ATOM 0 HG LEU A 97 9.057 -16.555 -19.866 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.935 -17.310 -20.857 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.672 -16.379 -19.364 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.380 -15.622 -20.947 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.869 -16.822 -22.308 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.391 -15.113 -22.453 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.019 -15.536 -21.872 1.00 0.00 H new ATOM 1610 N ALA A 98 10.695 -14.762 -17.349 1.00 0.00 N ATOM 1611 CA ALA A 98 11.797 -15.512 -16.758 1.00 0.00 C ATOM 1612 C ALA A 98 11.379 -16.162 -15.443 1.00 0.00 C ATOM 1613 O ALA A 98 11.895 -17.215 -15.069 1.00 0.00 O ATOM 1614 CB ALA A 98 12.997 -14.601 -16.541 1.00 0.00 C ATOM 0 H ALA A 98 10.889 -13.771 -17.494 1.00 0.00 H new ATOM 0 HA ALA A 98 12.076 -16.306 -17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.813 -15.173 -16.099 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.319 -14.189 -17.498 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.720 -13.788 -15.871 1.00 0.00 H new ATOM 1620 N ASP A 99 10.442 -15.528 -14.746 1.00 0.00 N ATOM 1621 CA ASP A 99 9.955 -16.044 -13.472 1.00 0.00 C ATOM 1622 C ASP A 99 11.075 -16.091 -12.438 1.00 0.00 C ATOM 1623 O ASP A 99 12.079 -16.778 -12.626 1.00 0.00 O ATOM 1624 CB ASP A 99 9.358 -17.440 -13.658 1.00 0.00 C ATOM 1625 CG ASP A 99 8.188 -17.699 -12.728 1.00 0.00 C ATOM 1626 OD1 ASP A 99 7.150 -18.203 -13.206 1.00 0.00 O ATOM 1627 OD2 ASP A 99 8.310 -17.396 -11.523 1.00 0.00 O ATOM 0 H ASP A 99 10.004 -14.655 -15.042 1.00 0.00 H new ATOM 0 HA ASP A 99 9.179 -15.370 -13.109 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.030 -17.557 -14.691 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.131 -18.189 -13.482 1.00 0.00 H new ATOM 1633 N GLU A 100 10.896 -15.356 -11.346 1.00 0.00 N ATOM 1634 CA GLU A 100 11.892 -15.312 -10.281 1.00 0.00 C ATOM 1635 C GLU A 100 11.351 -14.581 -9.057 1.00 0.00 C ATOM 1636 O GLU A 100 10.193 -14.168 -9.030 1.00 0.00 O ATOM 1637 CB GLU A 100 13.169 -14.629 -10.777 1.00 0.00 C ATOM 1638 CG GLU A 100 12.944 -13.213 -11.279 1.00 0.00 C ATOM 1639 CD GLU A 100 12.678 -13.159 -12.771 1.00 0.00 C ATOM 1640 OE1 GLU A 100 13.655 -13.119 -13.547 1.00 0.00 O ATOM 1641 OE2 GLU A 100 11.492 -13.158 -13.163 1.00 0.00 O ATOM 0 H GLU A 100 10.070 -14.782 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 100 12.125 -16.337 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.898 -14.607 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.602 -15.226 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.101 -12.773 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.819 -12.606 -11.047 1.00 0.00 H new ATOM 1649 N ASN A 101 12.200 -14.425 -8.046 1.00 0.00 N ATOM 1650 CA ASN A 101 11.809 -13.742 -6.818 1.00 0.00 C ATOM 1651 C ASN A 101 11.647 -12.243 -7.051 1.00 0.00 C ATOM 1652 O ASN A 101 10.928 -11.566 -6.315 1.00 0.00 O ATOM 1653 CB ASN A 101 12.846 -13.992 -5.720 1.00 0.00 C ATOM 1654 CG ASN A 101 12.447 -15.126 -4.796 1.00 0.00 C ATOM 1655 OD1 ASN A 101 12.012 -14.898 -3.667 1.00 0.00 O ATOM 1656 ND2 ASN A 101 12.594 -16.356 -5.271 1.00 0.00 N ATOM 0 H ASN A 101 13.163 -14.762 -8.053 1.00 0.00 H new ATOM 0 HA ASN A 101 10.847 -14.144 -6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 101 13.808 -14.221 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 101 12.980 -13.081 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.343 -17.159 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 101 12.958 -16.499 -6.213 1.00 0.00 H new ATOM 1663 N PHE A 102 12.319 -11.727 -8.077 1.00 0.00 N ATOM 1664 CA PHE A 102 12.246 -10.306 -8.403 1.00 0.00 C ATOM 1665 C PHE A 102 10.798 -9.853 -8.567 1.00 0.00 C ATOM 1666 O PHE A 102 10.140 -10.189 -9.551 1.00 0.00 O ATOM 1667 CB PHE A 102 13.032 -10.016 -9.684 1.00 0.00 C ATOM 1668 CG PHE A 102 14.420 -9.501 -9.434 1.00 0.00 C ATOM 1669 CD1 PHE A 102 14.619 -8.274 -8.824 1.00 0.00 C ATOM 1670 CD2 PHE A 102 15.528 -10.246 -9.810 1.00 0.00 C ATOM 1671 CE1 PHE A 102 15.895 -7.797 -8.591 1.00 0.00 C ATOM 1672 CE2 PHE A 102 16.806 -9.774 -9.580 1.00 0.00 C ATOM 1673 CZ PHE A 102 16.991 -8.549 -8.971 1.00 0.00 C ATOM 0 H PHE A 102 12.920 -12.271 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 102 12.687 -9.748 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.093 -10.928 -10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.484 -9.285 -10.279 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.766 -7.682 -8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.390 -11.205 -10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 102 16.036 -6.839 -8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.661 -10.364 -9.877 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.990 -8.179 -8.792 1.00 0.00 H new ATOM 1683 N HIS A 103 10.309 -9.091 -7.595 1.00 0.00 N ATOM 1684 CA HIS A 103 8.938 -8.593 -7.631 1.00 0.00 C ATOM 1685 C HIS A 103 8.895 -7.160 -8.155 1.00 0.00 C ATOM 1686 O HIS A 103 9.496 -6.258 -7.574 1.00 0.00 O ATOM 1687 CB HIS A 103 8.313 -8.657 -6.236 1.00 0.00 C ATOM 1688 CG HIS A 103 8.225 -10.047 -5.685 1.00 0.00 C ATOM 1689 ND1 HIS A 103 8.579 -10.367 -4.392 1.00 0.00 N ATOM 1690 CD2 HIS A 103 7.819 -11.204 -6.260 1.00 0.00 C ATOM 1691 CE1 HIS A 103 8.396 -11.662 -4.195 1.00 0.00 C ATOM 1692 NE2 HIS A 103 7.936 -12.191 -5.313 1.00 0.00 N ATOM 0 H HIS A 103 10.841 -8.805 -6.773 1.00 0.00 H new ATOM 0 HA HIS A 103 8.364 -9.227 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.900 -8.041 -5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 103 7.313 -8.226 -6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.469 -11.327 -7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 103 8.590 -12.195 -3.276 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.705 -13.175 -5.451 1.00 0.00 H new ATOM 1701 N LEU A 104 8.177 -6.961 -9.255 1.00 0.00 N ATOM 1702 CA LEU A 104 8.054 -5.639 -9.858 1.00 0.00 C ATOM 1703 C LEU A 104 6.624 -5.386 -10.326 1.00 0.00 C ATOM 1704 O LEU A 104 6.010 -6.239 -10.968 1.00 0.00 O ATOM 1705 CB LEU A 104 9.022 -5.501 -11.036 1.00 0.00 C ATOM 1706 CG LEU A 104 9.717 -4.144 -11.146 1.00 0.00 C ATOM 1707 CD1 LEU A 104 11.093 -4.298 -11.776 1.00 0.00 C ATOM 1708 CD2 LEU A 104 8.866 -3.174 -11.953 1.00 0.00 C ATOM 0 H LEU A 104 7.672 -7.698 -9.747 1.00 0.00 H new ATOM 0 HA LEU A 104 8.306 -4.896 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.783 -6.277 -10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.475 -5.688 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 104 9.843 -3.739 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.572 -3.322 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.703 -4.959 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.991 -4.724 -12.774 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.376 -2.213 -12.021 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.709 -3.574 -12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.902 -3.039 -11.461 1.00 0.00 H new ATOM 1720 N GLY A 105 6.098 -4.209 -10.000 1.00 0.00 N ATOM 1721 CA GLY A 105 4.745 -3.869 -10.396 1.00 0.00 C ATOM 1722 C GLY A 105 4.408 -2.415 -10.128 1.00 0.00 C ATOM 1723 O GLY A 105 5.300 -1.571 -10.038 1.00 0.00 O ATOM 0 H GLY A 105 6.584 -3.486 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.618 -4.078 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.042 -4.506 -9.859 1.00 0.00 H new ATOM 1727 N LEU A 106 3.118 -2.123 -10.000 1.00 0.00 N ATOM 1728 CA LEU A 106 2.664 -0.761 -9.742 1.00 0.00 C ATOM 1729 C LEU A 106 2.147 -0.621 -8.315 1.00 0.00 C ATOM 1730 O LEU A 106 1.719 -1.598 -7.700 1.00 0.00 O ATOM 1731 CB LEU A 106 1.569 -0.370 -10.735 1.00 0.00 C ATOM 1732 CG LEU A 106 1.477 1.126 -11.044 1.00 0.00 C ATOM 1733 CD1 LEU A 106 1.089 1.350 -12.497 1.00 0.00 C ATOM 1734 CD2 LEU A 106 0.481 1.801 -10.113 1.00 0.00 C ATOM 0 H LEU A 106 2.368 -2.811 -10.071 1.00 0.00 H new ATOM 0 HA LEU A 106 3.515 -0.091 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.737 -0.908 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.608 -0.704 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 106 2.458 1.572 -10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.029 2.420 -12.697 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.840 0.901 -13.147 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.120 0.890 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.428 2.864 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.503 1.351 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.804 1.672 -9.080 1.00 0.00 H new ATOM 1746 N GLY A 107 2.188 0.602 -7.793 1.00 0.00 N ATOM 1747 CA GLY A 107 1.719 0.848 -6.443 1.00 0.00 C ATOM 1748 C GLY A 107 1.113 2.229 -6.282 1.00 0.00 C ATOM 1749 O GLY A 107 1.711 3.226 -6.685 1.00 0.00 O ATOM 0 H GLY A 107 2.538 1.426 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.977 0.096 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.550 0.736 -5.747 1.00 0.00 H new ATOM 1753 N PHE A 108 -0.076 2.285 -5.692 1.00 0.00 N ATOM 1754 CA PHE A 108 -0.764 3.554 -5.479 1.00 0.00 C ATOM 1755 C PHE A 108 -1.189 3.704 -4.023 1.00 0.00 C ATOM 1756 O PHE A 108 -1.834 2.820 -3.459 1.00 0.00 O ATOM 1757 CB PHE A 108 -1.984 3.656 -6.397 1.00 0.00 C ATOM 1758 CG PHE A 108 -1.897 4.778 -7.392 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -2.336 6.049 -7.061 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -1.375 4.561 -8.657 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -2.256 7.084 -7.974 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -1.293 5.591 -9.573 1.00 0.00 C ATOM 1763 CZ PHE A 108 -1.735 6.855 -9.231 1.00 0.00 C ATOM 0 H PHE A 108 -0.583 1.468 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.072 4.361 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.104 2.715 -6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.877 3.791 -5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.745 6.234 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.028 3.575 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.601 8.071 -7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.884 5.409 -10.556 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.673 7.662 -9.946 1.00 0.00 H new ATOM 1773 N THR A 109 -0.827 4.831 -3.418 1.00 0.00 N ATOM 1774 CA THR A 109 -1.171 5.097 -2.027 1.00 0.00 C ATOM 1775 C THR A 109 -2.287 6.133 -1.932 1.00 0.00 C ATOM 1776 O THR A 109 -2.075 7.314 -2.207 1.00 0.00 O ATOM 1777 CB THR A 109 0.058 5.583 -1.258 1.00 0.00 C ATOM 1778 OG1 THR A 109 0.483 6.846 -1.740 1.00 0.00 O ATOM 1779 CG2 THR A 109 1.235 4.636 -1.353 1.00 0.00 C ATOM 0 H THR A 109 -0.295 5.575 -3.870 1.00 0.00 H new ATOM 0 HA THR A 109 -1.523 4.166 -1.582 1.00 0.00 H new ATOM 0 HB THR A 109 -0.257 5.643 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.736 6.768 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.074 5.040 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.955 3.665 -0.945 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.525 4.520 -2.397 1.00 0.00 H new ATOM 1787 N ALA A 110 -3.475 5.683 -1.541 1.00 0.00 N ATOM 1788 CA ALA A 110 -4.623 6.570 -1.410 1.00 0.00 C ATOM 1789 C ALA A 110 -5.356 6.330 -0.095 1.00 0.00 C ATOM 1790 O ALA A 110 -5.784 5.212 0.193 1.00 0.00 O ATOM 1791 CB ALA A 110 -5.571 6.382 -2.585 1.00 0.00 C ATOM 0 H ALA A 110 -3.667 4.708 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.258 7.597 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.425 7.051 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.049 6.611 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.920 5.350 -2.609 1.00 0.00 H new ATOM 1797 N GLY A 111 -5.494 7.385 0.701 1.00 0.00 N ATOM 1798 CA GLY A 111 -6.176 7.267 1.976 1.00 0.00 C ATOM 1799 C GLY A 111 -6.319 8.601 2.684 1.00 0.00 C ATOM 1800 O GLY A 111 -6.220 9.656 2.057 1.00 0.00 O ATOM 0 H GLY A 111 -5.146 8.319 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.164 6.836 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.626 6.577 2.616 1.00 0.00 H new ATOM 1804 N VAL A 112 -6.551 8.553 3.991 1.00 0.00 N ATOM 1805 CA VAL A 112 -6.707 9.767 4.784 1.00 0.00 C ATOM 1806 C VAL A 112 -5.575 9.915 5.794 1.00 0.00 C ATOM 1807 O VAL A 112 -5.011 8.923 6.260 1.00 0.00 O ATOM 1808 CB VAL A 112 -8.052 9.777 5.535 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -9.210 9.897 4.557 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -8.194 8.528 6.391 1.00 0.00 C ATOM 0 H VAL A 112 -6.635 7.687 4.524 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.680 10.605 4.087 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.073 10.645 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.151 9.902 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.114 10.824 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.196 9.051 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.150 8.552 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.151 7.644 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.383 8.491 7.118 1.00 0.00 H new ATOM 1820 N THR A 113 -5.246 11.158 6.128 1.00 0.00 N ATOM 1821 CA THR A 113 -4.179 11.438 7.083 1.00 0.00 C ATOM 1822 C THR A 113 -4.692 12.294 8.235 1.00 0.00 C ATOM 1823 O THR A 113 -5.502 13.200 8.036 1.00 0.00 O ATOM 1824 CB THR A 113 -3.014 12.143 6.387 1.00 0.00 C ATOM 1825 OG1 THR A 113 -3.337 13.495 6.116 1.00 0.00 O ATOM 1826 CG2 THR A 113 -2.618 11.495 5.078 1.00 0.00 C ATOM 0 H THR A 113 -5.703 11.989 5.751 1.00 0.00 H new ATOM 0 HA THR A 113 -3.829 10.488 7.487 1.00 0.00 H new ATOM 0 HB THR A 113 -2.175 12.068 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.915 13.541 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.786 12.044 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.316 10.464 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.466 11.510 4.394 1.00 0.00 H new ATOM 1834 N ALA A 114 -4.216 12.002 9.441 1.00 0.00 N ATOM 1835 CA ALA A 114 -4.626 12.746 10.626 1.00 0.00 C ATOM 1836 C ALA A 114 -3.820 14.032 10.772 1.00 0.00 C ATOM 1837 O ALA A 114 -2.603 13.998 10.945 1.00 0.00 O ATOM 1838 CB ALA A 114 -4.476 11.882 11.869 1.00 0.00 C ATOM 0 H ALA A 114 -3.546 11.255 9.623 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.675 13.017 10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.786 12.450 12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.101 10.994 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.434 11.582 11.980 1.00 0.00 H new ATOM 1954 N ILE A 121 -11.553 17.065 10.549 1.00 0.00 N ATOM 1955 CA ILE A 121 -11.782 16.417 9.263 1.00 0.00 C ATOM 1956 C ILE A 121 -10.497 15.796 8.722 1.00 0.00 C ATOM 1957 O ILE A 121 -9.404 16.322 8.940 1.00 0.00 O ATOM 1958 CB ILE A 121 -12.338 17.410 8.223 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -11.355 18.564 8.004 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -13.695 17.937 8.667 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -10.671 18.527 6.654 1.00 0.00 C ATOM 0 HA ILE A 121 -12.518 15.631 9.433 1.00 0.00 H new ATOM 0 HB ILE A 121 -12.465 16.886 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -11.888 19.509 8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.597 18.539 8.787 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -14.075 18.637 7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -14.392 17.105 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -13.592 18.447 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.990 19.373 6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -10.110 17.598 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -11.421 18.583 5.865 1.00 0.00 H new ATOM 1973 N PRO A 122 -10.609 14.665 8.004 1.00 0.00 N ATOM 1974 CA PRO A 122 -9.450 13.975 7.431 1.00 0.00 C ATOM 1975 C PRO A 122 -8.865 14.720 6.236 1.00 0.00 C ATOM 1976 O PRO A 122 -9.514 15.589 5.654 1.00 0.00 O ATOM 1977 CB PRO A 122 -10.023 12.628 6.992 1.00 0.00 C ATOM 1978 CG PRO A 122 -11.461 12.903 6.718 1.00 0.00 C ATOM 1979 CD PRO A 122 -11.875 13.970 7.695 1.00 0.00 C ATOM 0 HA PRO A 122 -8.630 13.893 8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -9.515 12.252 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -9.905 11.874 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -11.605 13.238 5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.061 12.002 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -12.610 14.648 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -12.326 13.541 8.590 1.00 0.00 H new ATOM 1987 N LEU A 123 -7.633 14.375 5.875 1.00 0.00 N ATOM 1988 CA LEU A 123 -6.960 15.010 4.748 1.00 0.00 C ATOM 1989 C LEU A 123 -6.544 13.971 3.708 1.00 0.00 C ATOM 1990 O LEU A 123 -5.438 13.434 3.763 1.00 0.00 O ATOM 1991 CB LEU A 123 -5.734 15.788 5.233 1.00 0.00 C ATOM 1992 CG LEU A 123 -5.728 17.275 4.872 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -5.026 18.084 5.951 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -5.061 17.491 3.522 1.00 0.00 C ATOM 0 H LEU A 123 -7.081 13.659 6.347 1.00 0.00 H new ATOM 0 HA LEU A 123 -7.659 15.704 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -5.667 15.692 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -4.840 15.325 4.816 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.760 17.618 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.032 19.139 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.546 17.953 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -3.996 17.741 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.065 18.554 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -4.033 17.132 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.607 16.942 2.755 1.00 0.00 H new ATOM 2006 N PRO A 124 -7.431 13.674 2.740 1.00 0.00 N ATOM 2007 CA PRO A 124 -7.151 12.695 1.685 1.00 0.00 C ATOM 2008 C PRO A 124 -5.811 12.944 1.002 1.00 0.00 C ATOM 2009 O PRO A 124 -5.429 14.090 0.760 1.00 0.00 O ATOM 2010 CB PRO A 124 -8.301 12.900 0.698 1.00 0.00 C ATOM 2011 CG PRO A 124 -9.417 13.435 1.525 1.00 0.00 C ATOM 2012 CD PRO A 124 -8.775 14.269 2.600 1.00 0.00 C ATOM 0 HA PRO A 124 -7.084 11.681 2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.025 13.597 -0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.580 11.964 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -10.098 14.035 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -10.004 12.625 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -8.721 15.320 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -9.335 14.221 3.534 1.00 0.00 H new ATOM 2020 N VAL A 125 -5.100 11.864 0.692 1.00 0.00 N ATOM 2021 CA VAL A 125 -3.803 11.964 0.036 1.00 0.00 C ATOM 2022 C VAL A 125 -3.660 10.918 -1.063 1.00 0.00 C ATOM 2023 O VAL A 125 -4.208 9.820 -0.962 1.00 0.00 O ATOM 2024 CB VAL A 125 -2.649 11.796 1.042 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -2.636 12.944 2.039 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -2.757 10.458 1.758 1.00 0.00 C ATOM 0 H VAL A 125 -5.402 10.909 0.885 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.749 12.960 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 125 -1.707 11.814 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -1.814 12.807 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -2.506 13.886 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -3.579 12.963 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.934 10.356 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.704 10.408 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.710 9.650 1.028 1.00 0.00 H new ATOM 2036 N LEU A 126 -2.922 11.264 -2.112 1.00 0.00 N ATOM 2037 CA LEU A 126 -2.708 10.353 -3.231 1.00 0.00 C ATOM 2038 C LEU A 126 -1.319 10.543 -3.830 1.00 0.00 C ATOM 2039 O LEU A 126 -1.006 11.603 -4.373 1.00 0.00 O ATOM 2040 CB LEU A 126 -3.775 10.571 -4.305 1.00 0.00 C ATOM 2041 CG LEU A 126 -5.106 9.860 -4.050 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -6.040 10.749 -3.243 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -5.755 9.458 -5.367 1.00 0.00 C ATOM 0 H LEU A 126 -2.462 12.169 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.784 9.333 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.964 11.641 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.379 10.234 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.910 8.956 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.981 10.227 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.578 10.988 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.231 11.670 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.700 8.954 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.938 10.348 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.091 8.784 -5.909 1.00 0.00 H new ATOM 2055 N LEU A 127 -0.490 9.509 -3.728 1.00 0.00 N ATOM 2056 CA LEU A 127 0.866 9.563 -4.261 1.00 0.00 C ATOM 2057 C LEU A 127 1.207 8.274 -5.010 1.00 0.00 C ATOM 2058 O LEU A 127 1.238 7.196 -4.418 1.00 0.00 O ATOM 2059 CB LEU A 127 1.871 9.787 -3.130 1.00 0.00 C ATOM 2060 CG LEU A 127 1.780 11.152 -2.445 1.00 0.00 C ATOM 2061 CD1 LEU A 127 2.809 11.259 -1.330 1.00 0.00 C ATOM 2062 CD2 LEU A 127 1.972 12.269 -3.459 1.00 0.00 C ATOM 0 H LEU A 127 -0.733 8.625 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 127 0.923 10.397 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.729 9.010 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.878 9.664 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 127 0.787 11.253 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.730 12.236 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.626 10.479 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.809 11.138 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.904 13.233 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.952 12.172 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.198 12.204 -4.223 1.00 0.00 H new ATOM 2074 N PRO A 128 1.469 8.365 -6.329 1.00 0.00 N ATOM 2075 CA PRO A 128 1.805 7.197 -7.146 1.00 0.00 C ATOM 2076 C PRO A 128 3.230 6.709 -6.902 1.00 0.00 C ATOM 2077 O PRO A 128 4.123 7.498 -6.597 1.00 0.00 O ATOM 2078 CB PRO A 128 1.658 7.717 -8.575 1.00 0.00 C ATOM 2079 CG PRO A 128 1.954 9.173 -8.475 1.00 0.00 C ATOM 2080 CD PRO A 128 1.453 9.609 -7.124 1.00 0.00 C ATOM 0 HA PRO A 128 1.169 6.342 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 128 2.350 7.217 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 128 0.653 7.542 -8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 128 3.023 9.361 -8.573 1.00 0.00 H new ATOM 0 HG3 PRO A 128 1.458 9.727 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 128 2.095 10.373 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 128 0.450 10.032 -7.186 1.00 0.00 H new ATOM 2088 N LEU A 129 3.434 5.402 -7.037 1.00 0.00 N ATOM 2089 CA LEU A 129 4.750 4.809 -6.833 1.00 0.00 C ATOM 2090 C LEU A 129 4.830 3.428 -7.475 1.00 0.00 C ATOM 2091 O LEU A 129 3.828 2.895 -7.952 1.00 0.00 O ATOM 2092 CB LEU A 129 5.060 4.707 -5.338 1.00 0.00 C ATOM 2093 CG LEU A 129 3.936 4.118 -4.482 1.00 0.00 C ATOM 2094 CD1 LEU A 129 4.508 3.243 -3.377 1.00 0.00 C ATOM 2095 CD2 LEU A 129 3.077 5.228 -3.894 1.00 0.00 C ATOM 0 H LEU A 129 2.705 4.734 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 129 5.489 5.454 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.953 4.096 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.298 5.702 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 129 3.307 3.497 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.694 2.833 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.080 2.427 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.160 3.841 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 129 2.283 4.791 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 129 3.695 5.875 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 129 2.637 5.814 -4.701 1.00 0.00 H new ATOM 2107 N ALA A 130 6.030 2.854 -7.485 1.00 0.00 N ATOM 2108 CA ALA A 130 6.241 1.536 -8.068 1.00 0.00 C ATOM 2109 C ALA A 130 6.886 0.588 -7.062 1.00 0.00 C ATOM 2110 O ALA A 130 7.755 0.989 -6.286 1.00 0.00 O ATOM 2111 CB ALA A 130 7.100 1.644 -9.319 1.00 0.00 C ATOM 0 H ALA A 130 6.870 3.282 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 130 5.269 1.127 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 130 7.250 0.652 -9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.600 2.280 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.066 2.078 -9.061 1.00 0.00 H new ATOM 2117 N SER A 131 6.458 -0.669 -7.081 1.00 0.00 N ATOM 2118 CA SER A 131 6.994 -1.674 -6.170 1.00 0.00 C ATOM 2119 C SER A 131 8.127 -2.455 -6.827 1.00 0.00 C ATOM 2120 O SER A 131 7.944 -3.067 -7.879 1.00 0.00 O ATOM 2121 CB SER A 131 5.888 -2.632 -5.726 1.00 0.00 C ATOM 2122 OG SER A 131 4.648 -1.957 -5.596 1.00 0.00 O ATOM 0 H SER A 131 5.741 -1.017 -7.718 1.00 0.00 H new ATOM 0 HA SER A 131 7.392 -1.160 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.791 -3.441 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.159 -3.088 -4.774 1.00 0.00 H new ATOM 0 HG SER A 131 4.101 -2.120 -6.393 1.00 0.00 H new ATOM 2128 N VAL A 132 9.299 -2.430 -6.199 1.00 0.00 N ATOM 2129 CA VAL A 132 10.461 -3.137 -6.723 1.00 0.00 C ATOM 2130 C VAL A 132 11.319 -3.696 -5.593 1.00 0.00 C ATOM 2131 O VAL A 132 11.624 -2.996 -4.628 1.00 0.00 O ATOM 2132 CB VAL A 132 11.328 -2.218 -7.603 1.00 0.00 C ATOM 2133 CG1 VAL A 132 12.420 -3.016 -8.297 1.00 0.00 C ATOM 2134 CG2 VAL A 132 10.467 -1.483 -8.620 1.00 0.00 C ATOM 0 H VAL A 132 9.468 -1.928 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 132 10.083 -3.959 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 132 11.804 -1.477 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 132 13.022 -2.349 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 132 13.055 -3.490 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.967 -3.782 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.098 -0.839 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 132 9.960 -2.207 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 132 9.726 -0.877 -8.099 1.00 0.00 H new ATOM 2144 N GLY A 133 11.706 -4.961 -5.722 1.00 0.00 N ATOM 2145 CA GLY A 133 12.525 -5.592 -4.704 1.00 0.00 C ATOM 2146 C GLY A 133 12.884 -7.022 -5.055 1.00 0.00 C ATOM 2147 O GLY A 133 12.803 -7.422 -6.217 1.00 0.00 O ATOM 0 H GLY A 133 11.467 -5.560 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 133 13.439 -5.014 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.993 -5.577 -3.753 1.00 0.00 H new ATOM 2151 N TYR A 134 13.281 -7.796 -4.049 1.00 0.00 N ATOM 2152 CA TYR A 134 13.651 -9.190 -4.260 1.00 0.00 C ATOM 2153 C TYR A 134 13.627 -9.963 -2.945 1.00 0.00 C ATOM 2154 O TYR A 134 14.452 -9.733 -2.062 1.00 0.00 O ATOM 2155 CB TYR A 134 15.042 -9.280 -4.891 1.00 0.00 C ATOM 2156 CG TYR A 134 15.438 -10.683 -5.291 1.00 0.00 C ATOM 2157 CD1 TYR A 134 15.063 -11.207 -6.521 1.00 0.00 C ATOM 2158 CD2 TYR A 134 16.188 -11.483 -4.439 1.00 0.00 C ATOM 2159 CE1 TYR A 134 15.423 -12.489 -6.891 1.00 0.00 C ATOM 2160 CE2 TYR A 134 16.553 -12.766 -4.800 1.00 0.00 C ATOM 2161 CZ TYR A 134 16.168 -13.263 -6.027 1.00 0.00 C ATOM 2162 OH TYR A 134 16.529 -14.540 -6.391 1.00 0.00 O ATOM 0 H TYR A 134 13.354 -7.481 -3.082 1.00 0.00 H new ATOM 0 HA TYR A 134 12.922 -9.635 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 134 15.074 -8.638 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 134 15.777 -8.892 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 134 14.480 -10.602 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 134 16.491 -11.096 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 134 15.123 -12.882 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 134 17.136 -13.375 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 134 17.052 -14.950 -5.671 1.00 0.00 H new ATOM 2172 N GLY A 135 12.679 -10.884 -2.825 1.00 0.00 N ATOM 2173 CA GLY A 135 12.567 -11.679 -1.619 1.00 0.00 C ATOM 2174 C GLY A 135 12.119 -10.863 -0.417 1.00 0.00 C ATOM 2175 O GLY A 135 10.977 -10.408 -0.369 1.00 0.00 O ATOM 0 H GLY A 135 11.985 -11.094 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 135 11.858 -12.489 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.531 -12.139 -1.402 1.00 0.00 H new ATOM 2179 N PRO A 136 12.997 -10.671 0.585 1.00 0.00 N ATOM 2180 CA PRO A 136 12.667 -9.915 1.793 1.00 0.00 C ATOM 2181 C PRO A 136 12.864 -8.408 1.638 1.00 0.00 C ATOM 2182 O PRO A 136 12.316 -7.623 2.413 1.00 0.00 O ATOM 2183 CB PRO A 136 13.653 -10.476 2.811 1.00 0.00 C ATOM 2184 CG PRO A 136 14.865 -10.811 2.009 1.00 0.00 C ATOM 2185 CD PRO A 136 14.380 -11.188 0.630 1.00 0.00 C ATOM 0 HA PRO A 136 11.617 -10.021 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 136 13.880 -9.746 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 136 13.251 -11.358 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 136 15.545 -9.961 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 136 15.415 -11.634 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 136 14.999 -10.740 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 136 14.408 -12.267 0.478 1.00 0.00 H new ATOM 2193 N VAL A 137 13.651 -8.002 0.645 1.00 0.00 N ATOM 2194 CA VAL A 137 13.910 -6.583 0.419 1.00 0.00 C ATOM 2195 C VAL A 137 12.887 -5.977 -0.538 1.00 0.00 C ATOM 2196 O VAL A 137 12.828 -6.339 -1.713 1.00 0.00 O ATOM 2197 CB VAL A 137 15.330 -6.347 -0.134 1.00 0.00 C ATOM 2198 CG1 VAL A 137 15.498 -6.998 -1.499 1.00 0.00 C ATOM 2199 CG2 VAL A 137 15.634 -4.858 -0.204 1.00 0.00 C ATOM 0 H VAL A 137 14.117 -8.629 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 137 13.825 -6.091 1.388 1.00 0.00 H new ATOM 0 HB VAL A 137 16.042 -6.811 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 137 16.508 -6.817 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 137 15.330 -8.072 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 137 14.776 -6.573 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 137 16.640 -4.710 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 137 14.913 -4.370 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 137 15.567 -4.426 0.794 1.00 0.00 H new ATOM 2209 N THR A 138 12.084 -5.050 -0.025 1.00 0.00 N ATOM 2210 CA THR A 138 11.063 -4.391 -0.832 1.00 0.00 C ATOM 2211 C THR A 138 11.222 -2.875 -0.775 1.00 0.00 C ATOM 2212 O THR A 138 11.120 -2.270 0.292 1.00 0.00 O ATOM 2213 CB THR A 138 9.667 -4.786 -0.349 1.00 0.00 C ATOM 2214 OG1 THR A 138 9.667 -6.109 0.158 1.00 0.00 O ATOM 2215 CG2 THR A 138 8.614 -4.711 -1.434 1.00 0.00 C ATOM 0 H THR A 138 12.121 -4.738 0.946 1.00 0.00 H new ATOM 0 HA THR A 138 11.187 -4.715 -1.865 1.00 0.00 H new ATOM 0 HB THR A 138 9.416 -4.065 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 138 8.766 -6.342 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 138 7.648 -5.004 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 138 8.553 -3.691 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 138 8.882 -5.384 -2.248 1.00 0.00 H new ATOM 2223 N PHE A 139 11.473 -2.267 -1.931 1.00 0.00 N ATOM 2224 CA PHE A 139 11.646 -0.822 -2.011 1.00 0.00 C ATOM 2225 C PHE A 139 10.742 -0.224 -3.083 1.00 0.00 C ATOM 2226 O PHE A 139 10.670 -0.731 -4.203 1.00 0.00 O ATOM 2227 CB PHE A 139 13.107 -0.479 -2.311 1.00 0.00 C ATOM 2228 CG PHE A 139 13.593 -1.015 -3.627 1.00 0.00 C ATOM 2229 CD1 PHE A 139 14.118 -2.294 -3.717 1.00 0.00 C ATOM 2230 CD2 PHE A 139 13.524 -0.241 -4.774 1.00 0.00 C ATOM 2231 CE1 PHE A 139 14.565 -2.792 -4.926 1.00 0.00 C ATOM 2232 CE2 PHE A 139 13.970 -0.733 -5.986 1.00 0.00 C ATOM 2233 CZ PHE A 139 14.491 -2.009 -6.062 1.00 0.00 C ATOM 0 H PHE A 139 11.561 -2.753 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 139 11.369 -0.394 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 139 13.226 0.604 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 139 13.735 -0.874 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 139 14.179 -2.909 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 139 13.117 0.758 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 139 14.971 -3.791 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 139 13.911 -0.120 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 139 14.840 -2.395 -7.008 1.00 0.00 H new ATOM 2243 N GLN A 140 10.052 0.856 -2.734 1.00 0.00 N ATOM 2244 CA GLN A 140 9.151 1.524 -3.666 1.00 0.00 C ATOM 2245 C GLN A 140 9.484 3.009 -3.774 1.00 0.00 C ATOM 2246 O GLN A 140 9.853 3.645 -2.786 1.00 0.00 O ATOM 2247 CB GLN A 140 7.699 1.345 -3.222 1.00 0.00 C ATOM 2248 CG GLN A 140 7.424 1.862 -1.819 1.00 0.00 C ATOM 2249 CD GLN A 140 6.563 0.914 -1.007 1.00 0.00 C ATOM 2250 OE1 GLN A 140 7.009 -0.163 -0.610 1.00 0.00 O ATOM 2251 NE2 GLN A 140 5.320 1.310 -0.756 1.00 0.00 N ATOM 0 H GLN A 140 10.099 1.288 -1.811 1.00 0.00 H new ATOM 0 HA GLN A 140 9.281 1.069 -4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 140 7.046 1.862 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 140 7.442 0.287 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 140 8.370 2.021 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.930 2.831 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.992 2.211 -1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.694 0.713 -0.215 1.00 0.00 H new ATOM 2260 N MET A 141 9.351 3.556 -4.978 1.00 0.00 N ATOM 2261 CA MET A 141 9.638 4.965 -5.214 1.00 0.00 C ATOM 2262 C MET A 141 8.365 5.731 -5.557 1.00 0.00 C ATOM 2263 O MET A 141 7.546 5.271 -6.353 1.00 0.00 O ATOM 2264 CB MET A 141 10.658 5.118 -6.345 1.00 0.00 C ATOM 2265 CG MET A 141 12.039 4.593 -5.992 1.00 0.00 C ATOM 2266 SD MET A 141 13.362 5.584 -6.712 1.00 0.00 S ATOM 2267 CE MET A 141 14.627 4.338 -6.949 1.00 0.00 C ATOM 0 H MET A 141 9.046 3.044 -5.806 1.00 0.00 H new ATOM 0 HA MET A 141 10.056 5.382 -4.298 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.292 4.591 -7.227 1.00 0.00 H new ATOM 0 HB3 MET A 141 10.736 6.172 -6.613 1.00 0.00 H new ATOM 0 HG2 MET A 141 12.151 4.576 -4.908 1.00 0.00 H new ATOM 0 HG3 MET A 141 12.132 3.563 -6.338 1.00 0.00 H new ATOM 0 HE1 MET A 141 15.512 4.797 -7.389 1.00 0.00 H new ATOM 0 HE2 MET A 141 14.887 3.896 -5.987 1.00 0.00 H new ATOM 0 HE3 MET A 141 14.252 3.561 -7.615 1.00 0.00 H new ATOM 2277 N THR A 142 8.204 6.903 -4.950 1.00 0.00 N ATOM 2278 CA THR A 142 7.029 7.735 -5.191 1.00 0.00 C ATOM 2279 C THR A 142 7.434 9.099 -5.741 1.00 0.00 C ATOM 2280 O THR A 142 8.417 9.691 -5.296 1.00 0.00 O ATOM 2281 CB THR A 142 6.229 7.909 -3.899 1.00 0.00 C ATOM 2282 OG1 THR A 142 5.061 8.675 -4.133 1.00 0.00 O ATOM 2283 CG2 THR A 142 7.012 8.590 -2.797 1.00 0.00 C ATOM 0 H THR A 142 8.872 7.298 -4.288 1.00 0.00 H new ATOM 0 HA THR A 142 6.405 7.235 -5.932 1.00 0.00 H new ATOM 0 HB THR A 142 5.981 6.899 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 142 4.624 8.363 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 142 6.386 8.682 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 142 7.895 7.997 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 142 7.319 9.582 -3.128 1.00 0.00 H new ATOM 2291 N TYR A 143 6.670 9.590 -6.710 1.00 0.00 N ATOM 2292 CA TYR A 143 6.950 10.885 -7.321 1.00 0.00 C ATOM 2293 C TYR A 143 5.829 11.878 -7.034 1.00 0.00 C ATOM 2294 O TYR A 143 4.649 11.536 -7.111 1.00 0.00 O ATOM 2295 CB TYR A 143 7.135 10.730 -8.832 1.00 0.00 C ATOM 2296 CG TYR A 143 6.009 9.979 -9.507 1.00 0.00 C ATOM 2297 CD1 TYR A 143 5.959 8.590 -9.477 1.00 0.00 C ATOM 2298 CD2 TYR A 143 4.997 10.658 -10.174 1.00 0.00 C ATOM 2299 CE1 TYR A 143 4.932 7.901 -10.093 1.00 0.00 C ATOM 2300 CE2 TYR A 143 3.967 9.974 -10.793 1.00 0.00 C ATOM 2301 CZ TYR A 143 3.939 8.597 -10.749 1.00 0.00 C ATOM 2302 OH TYR A 143 2.916 7.913 -11.364 1.00 0.00 O ATOM 0 H TYR A 143 5.853 9.112 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 143 7.872 11.271 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 143 7.222 11.719 -9.282 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.073 10.209 -9.023 1.00 0.00 H new ATOM 0 HD1 TYR A 143 6.735 8.041 -8.964 1.00 0.00 H new ATOM 0 HD2 TYR A 143 5.015 11.737 -10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 143 4.907 6.822 -10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 143 3.188 10.516 -11.308 1.00 0.00 H new ATOM 0 HH TYR A 143 2.299 8.551 -11.779 1.00 0.00 H new ATOM 2312 N ILE A 144 6.206 13.108 -6.702 1.00 0.00 N ATOM 2313 CA ILE A 144 5.233 14.152 -6.404 1.00 0.00 C ATOM 2314 C ILE A 144 5.089 15.121 -7.578 1.00 0.00 C ATOM 2315 O ILE A 144 5.848 16.083 -7.698 1.00 0.00 O ATOM 2316 CB ILE A 144 5.625 14.939 -5.135 1.00 0.00 C ATOM 2317 CG1 ILE A 144 4.563 15.993 -4.809 1.00 0.00 C ATOM 2318 CG2 ILE A 144 6.992 15.588 -5.307 1.00 0.00 C ATOM 2319 CD1 ILE A 144 4.282 16.129 -3.329 1.00 0.00 C ATOM 0 H ILE A 144 7.179 13.406 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 144 4.277 13.658 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 144 5.683 14.240 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.888 16.957 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 144 3.637 15.736 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.250 16.138 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.741 14.817 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 144 6.965 16.274 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 144 3.520 16.893 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 144 3.926 15.176 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 144 5.196 16.416 -2.810 1.00 0.00 H new ATOM 2331 N PRO A 145 4.109 14.879 -8.467 1.00 0.00 N ATOM 2332 CA PRO A 145 3.873 15.735 -9.633 1.00 0.00 C ATOM 2333 C PRO A 145 3.321 17.103 -9.246 1.00 0.00 C ATOM 2334 O PRO A 145 2.753 17.272 -8.168 1.00 0.00 O ATOM 2335 CB PRO A 145 2.841 14.953 -10.448 1.00 0.00 C ATOM 2336 CG PRO A 145 2.132 14.107 -9.449 1.00 0.00 C ATOM 2337 CD PRO A 145 3.156 13.753 -8.405 1.00 0.00 C ATOM 0 HA PRO A 145 4.794 15.944 -10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.151 15.623 -10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 145 3.321 14.343 -11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 145 1.294 14.645 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 145 1.725 13.210 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 145 2.707 13.660 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 145 3.642 12.802 -8.625 1.00 0.00 H new ATOM 2422 N ASN A 152 8.708 16.227 -9.927 1.00 0.00 N ATOM 2423 CA ASN A 152 9.802 17.148 -9.642 1.00 0.00 C ATOM 2424 C ASN A 152 10.787 16.532 -8.653 1.00 0.00 C ATOM 2425 O ASN A 152 12.001 16.638 -8.824 1.00 0.00 O ATOM 2426 CB ASN A 152 9.256 18.462 -9.082 1.00 0.00 C ATOM 2427 CG ASN A 152 8.852 19.432 -10.175 1.00 0.00 C ATOM 2428 OD1 ASN A 152 7.666 19.665 -10.407 1.00 0.00 O ATOM 2429 ND2 ASN A 152 9.841 20.003 -10.854 1.00 0.00 N ATOM 0 HA ASN A 152 10.328 17.349 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 152 8.394 18.253 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 152 10.012 18.926 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 152 9.631 20.664 -11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 152 10.810 19.780 -10.627 1.00 0.00 H new ATOM 2436 N VAL A 153 10.255 15.888 -7.619 1.00 0.00 N ATOM 2437 CA VAL A 153 11.088 15.255 -6.604 1.00 0.00 C ATOM 2438 C VAL A 153 10.657 13.813 -6.359 1.00 0.00 C ATOM 2439 O VAL A 153 9.472 13.486 -6.441 1.00 0.00 O ATOM 2440 CB VAL A 153 11.035 16.025 -5.271 1.00 0.00 C ATOM 2441 CG1 VAL A 153 12.064 15.477 -4.294 1.00 0.00 C ATOM 2442 CG2 VAL A 153 11.252 17.513 -5.506 1.00 0.00 C ATOM 0 H VAL A 153 9.252 15.791 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 153 12.110 15.268 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 153 10.046 15.889 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 153 12.011 16.034 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 153 11.858 14.424 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 153 13.062 15.579 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 153 11.211 18.042 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 153 12.227 17.670 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 153 10.473 17.894 -6.166 1.00 0.00 H new ATOM 2452 N TYR A 154 11.625 12.954 -6.059 1.00 0.00 N ATOM 2453 CA TYR A 154 11.347 11.546 -5.802 1.00 0.00 C ATOM 2454 C TYR A 154 11.693 11.178 -4.363 1.00 0.00 C ATOM 2455 O TYR A 154 12.634 11.718 -3.782 1.00 0.00 O ATOM 2456 CB TYR A 154 12.136 10.664 -6.770 1.00 0.00 C ATOM 2457 CG TYR A 154 13.590 11.059 -6.903 1.00 0.00 C ATOM 2458 CD1 TYR A 154 13.991 11.999 -7.845 1.00 0.00 C ATOM 2459 CD2 TYR A 154 14.561 10.493 -6.087 1.00 0.00 C ATOM 2460 CE1 TYR A 154 15.318 12.362 -7.969 1.00 0.00 C ATOM 2461 CE2 TYR A 154 15.891 10.852 -6.205 1.00 0.00 C ATOM 2462 CZ TYR A 154 16.263 11.787 -7.147 1.00 0.00 C ATOM 2463 OH TYR A 154 17.586 12.146 -7.268 1.00 0.00 O ATOM 0 H TYR A 154 12.610 13.209 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 154 10.281 11.378 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 154 12.079 9.629 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 154 11.666 10.706 -7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 154 13.253 12.453 -8.490 1.00 0.00 H new ATOM 0 HD2 TYR A 154 14.272 9.760 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 154 15.614 13.093 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 154 16.634 10.402 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 154 18.121 11.649 -6.614 1.00 0.00 H new ATOM 2473 N PHE A 155 10.925 10.254 -3.793 1.00 0.00 N ATOM 2474 CA PHE A 155 11.150 9.815 -2.421 1.00 0.00 C ATOM 2475 C PHE A 155 11.150 8.292 -2.330 1.00 0.00 C ATOM 2476 O PHE A 155 10.195 7.635 -2.744 1.00 0.00 O ATOM 2477 CB PHE A 155 10.077 10.391 -1.495 1.00 0.00 C ATOM 2478 CG PHE A 155 10.382 11.782 -1.016 1.00 0.00 C ATOM 2479 CD1 PHE A 155 10.196 12.873 -1.850 1.00 0.00 C ATOM 2480 CD2 PHE A 155 10.855 11.998 0.269 1.00 0.00 C ATOM 2481 CE1 PHE A 155 10.476 14.153 -1.412 1.00 0.00 C ATOM 2482 CE2 PHE A 155 11.137 13.276 0.712 1.00 0.00 C ATOM 2483 CZ PHE A 155 10.947 14.355 -0.129 1.00 0.00 C ATOM 0 H PHE A 155 10.142 9.796 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 155 12.127 10.181 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 155 9.121 10.397 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 155 9.963 9.735 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 155 9.828 12.721 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 155 11.005 11.158 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 155 10.327 14.995 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 155 11.506 13.431 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 155 11.166 15.355 0.216 1.00 0.00 H new ATOM 2493 N ALA A 156 12.229 7.737 -1.788 1.00 0.00 N ATOM 2494 CA ALA A 156 12.354 6.292 -1.643 1.00 0.00 C ATOM 2495 C ALA A 156 11.819 5.827 -0.293 1.00 0.00 C ATOM 2496 O ALA A 156 11.764 6.601 0.663 1.00 0.00 O ATOM 2497 CB ALA A 156 13.805 5.868 -1.813 1.00 0.00 C ATOM 0 H ALA A 156 13.029 8.266 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 156 11.756 5.821 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 156 13.883 4.786 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 156 14.155 6.158 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 156 14.418 6.356 -1.055 1.00 0.00 H new ATOM 2503 N TRP A 157 11.427 4.559 -0.222 1.00 0.00 N ATOM 2504 CA TRP A 157 10.897 3.992 1.013 1.00 0.00 C ATOM 2505 C TRP A 157 11.259 2.515 1.132 1.00 0.00 C ATOM 2506 O TRP A 157 11.126 1.753 0.175 1.00 0.00 O ATOM 2507 CB TRP A 157 9.378 4.163 1.066 1.00 0.00 C ATOM 2508 CG TRP A 157 8.935 5.588 0.936 1.00 0.00 C ATOM 2509 CD1 TRP A 157 8.139 6.114 -0.040 1.00 0.00 C ATOM 2510 CD2 TRP A 157 9.266 6.672 1.813 1.00 0.00 C ATOM 2511 NE1 TRP A 157 7.953 7.458 0.177 1.00 0.00 N ATOM 2512 CE2 TRP A 157 8.634 7.824 1.307 1.00 0.00 C ATOM 2513 CE3 TRP A 157 10.032 6.779 2.977 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 8.747 9.067 1.926 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 10.144 8.013 3.589 1.00 0.00 C ATOM 2516 CH2 TRP A 157 9.504 9.142 3.063 1.00 0.00 C ATOM 0 H TRP A 157 11.466 3.905 -1.004 1.00 0.00 H new ATOM 0 HA TRP A 157 11.345 4.526 1.851 1.00 0.00 H new ATOM 0 HB2 TRP A 157 8.926 3.575 0.267 1.00 0.00 H new ATOM 0 HB3 TRP A 157 9.007 3.759 2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 157 7.717 5.556 -0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 157 7.398 8.082 -0.409 1.00 0.00 H new ATOM 0 HE3 TRP A 157 10.527 5.913 3.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 8.255 9.940 1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 10.735 8.108 4.488 1.00 0.00 H new ATOM 0 HH2 TRP A 157 9.610 10.092 3.566 1.00 0.00 H new ATOM 2527 N MET A 158 11.717 2.118 2.314 1.00 0.00 N ATOM 2528 CA MET A 158 12.099 0.733 2.560 1.00 0.00 C ATOM 2529 C MET A 158 10.983 -0.020 3.277 1.00 0.00 C ATOM 2530 O MET A 158 10.326 0.523 4.165 1.00 0.00 O ATOM 2531 CB MET A 158 13.383 0.674 3.389 1.00 0.00 C ATOM 2532 CG MET A 158 14.612 1.166 2.642 1.00 0.00 C ATOM 2533 SD MET A 158 16.088 0.202 3.022 1.00 0.00 S ATOM 2534 CE MET A 158 17.334 1.488 3.052 1.00 0.00 C ATOM 0 H MET A 158 11.833 2.736 3.117 1.00 0.00 H new ATOM 0 HA MET A 158 12.275 0.255 1.596 1.00 0.00 H new ATOM 0 HB2 MET A 158 13.252 1.273 4.290 1.00 0.00 H new ATOM 0 HB3 MET A 158 13.551 -0.354 3.711 1.00 0.00 H new ATOM 0 HG2 MET A 158 14.422 1.124 1.570 1.00 0.00 H new ATOM 0 HG3 MET A 158 14.791 2.211 2.893 1.00 0.00 H new ATOM 0 HE1 MET A 158 18.306 1.048 3.275 1.00 0.00 H new ATOM 0 HE2 MET A 158 17.373 1.980 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 158 17.083 2.220 3.819 1.00 0.00 H new ATOM 2544 N ARG A 159 10.773 -1.273 2.885 1.00 0.00 N ATOM 2545 CA ARG A 159 9.735 -2.099 3.492 1.00 0.00 C ATOM 2546 C ARG A 159 10.253 -3.506 3.769 1.00 0.00 C ATOM 2547 O ARG A 159 10.805 -4.161 2.885 1.00 0.00 O ATOM 2548 CB ARG A 159 8.508 -2.164 2.580 1.00 0.00 C ATOM 2549 CG ARG A 159 7.191 -2.218 3.337 1.00 0.00 C ATOM 2550 CD ARG A 159 6.028 -2.527 2.409 1.00 0.00 C ATOM 2551 NE ARG A 159 4.782 -1.918 2.871 1.00 0.00 N ATOM 2552 CZ ARG A 159 3.607 -2.087 2.270 1.00 0.00 C ATOM 2553 NH1 ARG A 159 3.512 -2.842 1.182 1.00 0.00 N ATOM 2554 NH2 ARG A 159 2.523 -1.500 2.759 1.00 0.00 N ATOM 0 H ARG A 159 11.307 -1.738 2.151 1.00 0.00 H new ATOM 0 HA ARG A 159 9.450 -1.643 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 159 8.506 -1.293 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 159 8.587 -3.043 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 159 7.249 -2.979 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 159 7.017 -1.264 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 159 6.258 -2.166 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 159 5.899 -3.607 2.337 1.00 0.00 H new ATOM 0 HE ARG A 159 4.815 -1.329 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 159 4.343 -3.296 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.608 -2.968 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 159 2.591 -0.920 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.622 -1.629 2.299 1.00 0.00 H new ATOM 2568 N PHE A 160 10.071 -3.965 5.004 1.00 0.00 N ATOM 2569 CA PHE A 160 10.518 -5.296 5.398 1.00 0.00 C ATOM 2570 C PHE A 160 9.331 -6.238 5.574 1.00 0.00 C ATOM 2571 O PHE A 160 8.419 -5.964 6.354 1.00 0.00 O ATOM 2572 CB PHE A 160 11.327 -5.221 6.695 1.00 0.00 C ATOM 2573 CG PHE A 160 12.634 -5.959 6.630 1.00 0.00 C ATOM 2574 CD1 PHE A 160 12.693 -7.315 6.905 1.00 0.00 C ATOM 2575 CD2 PHE A 160 13.803 -5.295 6.295 1.00 0.00 C ATOM 2576 CE1 PHE A 160 13.894 -7.997 6.846 1.00 0.00 C ATOM 2577 CE2 PHE A 160 15.007 -5.971 6.235 1.00 0.00 C ATOM 2578 CZ PHE A 160 15.052 -7.324 6.512 1.00 0.00 C ATOM 0 H PHE A 160 9.617 -3.435 5.748 1.00 0.00 H new ATOM 0 HA PHE A 160 11.154 -5.690 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 160 11.521 -4.175 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 160 10.729 -5.628 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 160 11.790 -7.846 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 160 13.773 -4.237 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 160 13.926 -9.055 7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 160 15.911 -5.442 5.972 1.00 0.00 H new ATOM 0 HZ PHE A 160 15.992 -7.854 6.467 1.00 0.00 H new ATOM 2588 N GLN A 161 9.350 -7.349 4.845 1.00 0.00 N ATOM 2589 CA GLN A 161 8.275 -8.330 4.920 1.00 0.00 C ATOM 2590 C GLN A 161 8.564 -9.375 5.993 1.00 0.00 C ATOM 2591 O GLN A 161 9.645 -9.963 6.027 1.00 0.00 O ATOM 2592 CB GLN A 161 8.084 -9.015 3.564 1.00 0.00 C ATOM 2593 CG GLN A 161 9.363 -9.612 3.000 1.00 0.00 C ATOM 2594 CD GLN A 161 9.121 -10.916 2.264 1.00 0.00 C ATOM 2595 OE1 GLN A 161 8.831 -10.922 1.068 1.00 0.00 O ATOM 2596 NE2 GLN A 161 9.241 -12.029 2.977 1.00 0.00 N ATOM 0 H GLN A 161 10.098 -7.592 4.196 1.00 0.00 H new ATOM 0 HA GLN A 161 7.358 -7.805 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 161 7.339 -9.804 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 161 7.686 -8.291 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 161 9.826 -8.896 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 161 10.069 -9.783 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 161 9.483 -11.977 3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 161 9.091 -12.936 2.535 1.00 0.00 H new ATOM 2605 N PHE A 162 7.589 -9.600 6.869 1.00 0.00 N ATOM 2606 CA PHE A 162 7.737 -10.574 7.944 1.00 0.00 C ATOM 2607 C PHE A 162 6.452 -11.376 8.131 1.00 0.00 C ATOM 2608 O PHE A 162 5.358 -10.813 8.158 1.00 0.00 O ATOM 2609 CB PHE A 162 8.113 -9.871 9.250 1.00 0.00 C ATOM 2610 CG PHE A 162 9.557 -10.038 9.629 1.00 0.00 C ATOM 2611 CD1 PHE A 162 10.161 -11.284 9.575 1.00 0.00 C ATOM 2612 CD2 PHE A 162 10.310 -8.950 10.036 1.00 0.00 C ATOM 2613 CE1 PHE A 162 11.490 -11.442 9.922 1.00 0.00 C ATOM 2614 CE2 PHE A 162 11.639 -9.100 10.385 1.00 0.00 C ATOM 2615 CZ PHE A 162 12.229 -10.348 10.328 1.00 0.00 C ATOM 0 H PHE A 162 6.689 -9.121 6.855 1.00 0.00 H new ATOM 0 HA PHE A 162 8.536 -11.263 7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 162 7.891 -8.808 9.158 1.00 0.00 H new ATOM 0 HB3 PHE A 162 7.488 -10.258 10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 162 9.587 -12.142 9.258 1.00 0.00 H new ATOM 0 HD2 PHE A 162 9.854 -7.972 10.081 1.00 0.00 H new ATOM 0 HE1 PHE A 162 11.949 -12.418 9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 162 12.215 -8.243 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 162 13.267 -10.468 10.601 1.00 0.00 H new ATOM 2625 N LEU A 163 6.593 -12.691 8.260 1.00 0.00 N ATOM 2626 CA LEU A 163 5.444 -13.568 8.444 1.00 0.00 C ATOM 2627 C LEU A 163 5.674 -14.531 9.605 1.00 0.00 C ATOM 2628 O LEU A 163 6.774 -15.054 9.781 1.00 0.00 O ATOM 2629 CB LEU A 163 5.164 -14.353 7.162 1.00 0.00 C ATOM 2630 CG LEU A 163 4.971 -13.499 5.909 1.00 0.00 C ATOM 2631 CD1 LEU A 163 6.307 -13.234 5.231 1.00 0.00 C ATOM 2632 CD2 LEU A 163 4.008 -14.178 4.946 1.00 0.00 C ATOM 0 H LEU A 163 7.492 -13.172 8.240 1.00 0.00 H new ATOM 0 HA LEU A 163 4.579 -12.947 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 163 5.990 -15.043 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 163 4.270 -14.958 7.312 1.00 0.00 H new ATOM 0 HG LEU A 163 4.543 -12.542 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 163 6.149 -12.625 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 163 6.966 -12.706 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 163 6.764 -14.181 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.882 -13.557 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 163 4.409 -15.149 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 163 3.043 -14.315 5.433 1.00 0.00 H new