USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 THR OG1 : rot 174:sc= 1.21 USER MOD Set 1.2: A 49 GLN : amide:sc= 1.05 K(o=2.3,f=-4.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -52:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot -179:sc= -0.0121 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0304) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.888 USER MOD Single : A 36 MET CE :methyl -151:sc= -0.19 (180deg=-0.253) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.019) USER MOD Single : A 60 ASN : amide:sc= 0.325 K(o=0.33,f=-4.7!) USER MOD Single : A 62 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.925 USER MOD Single : A 71 MET CE :methyl 174:sc= -0.0392 (180deg=-0.0871) USER MOD Single : A 72 MET CE :methyl -172:sc= 0 (180deg=-0.0859) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.608 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 109 MET CE :methyl -172:sc= 0 (180deg=-0.0672) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.8) USER MOD Single : A 137 ASN : amide:sc= 0.139 K(o=0.14,f=-5.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0895 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.61 F(o=-1.4,f=-0.61) USER MOD Single : A 144 MET CE :methyl -163:sc= -0.0515 (180deg=-0.786) USER MOD Single : A 145 MET CE :methyl 179:sc= 0 (180deg=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.239 17.337 -0.361 1.00 0.00 N ATOM 59 CA THR A 5 -13.837 18.227 -1.308 1.00 0.00 C ATOM 60 C THR A 5 -15.027 17.516 -1.855 1.00 0.00 C ATOM 61 O THR A 5 -15.157 16.304 -1.692 1.00 0.00 O ATOM 62 CB THR A 5 -12.963 18.601 -2.468 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.557 17.489 -3.252 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.870 19.504 -1.872 1.00 0.00 C ATOM 0 HA THR A 5 -14.058 19.157 -0.784 1.00 0.00 H new ATOM 0 HB THR A 5 -13.487 19.165 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.993 17.798 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.188 19.820 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.331 20.381 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.315 18.952 -1.114 1.00 0.00 H new ATOM 72 N GLU A 6 -15.858 18.251 -2.615 1.00 0.00 N ATOM 73 CA GLU A 6 -16.980 17.758 -3.351 1.00 0.00 C ATOM 74 C GLU A 6 -16.677 16.777 -4.430 1.00 0.00 C ATOM 75 O GLU A 6 -17.483 15.901 -4.740 1.00 0.00 O ATOM 76 CB GLU A 6 -17.728 18.917 -4.030 1.00 0.00 C ATOM 77 CG GLU A 6 -18.304 20.045 -3.171 1.00 0.00 C ATOM 78 CD GLU A 6 -19.299 19.471 -2.173 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.154 18.587 -2.449 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.275 19.951 -1.008 1.00 0.00 O ATOM 0 H GLU A 6 -15.737 19.258 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.567 17.244 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.046 19.370 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.552 18.486 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.501 20.560 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.795 20.784 -3.805 1.00 0.00 H new ATOM 87 N GLU A 7 -15.451 16.863 -4.978 1.00 0.00 N ATOM 88 CA GLU A 7 -14.937 16.066 -6.048 1.00 0.00 C ATOM 89 C GLU A 7 -14.573 14.712 -5.546 1.00 0.00 C ATOM 90 O GLU A 7 -14.886 13.773 -6.277 1.00 0.00 O ATOM 91 CB GLU A 7 -13.702 16.815 -6.576 1.00 0.00 C ATOM 92 CG GLU A 7 -13.987 18.148 -7.270 1.00 0.00 C ATOM 93 CD GLU A 7 -12.801 18.843 -7.926 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.392 18.455 -9.052 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.188 19.789 -7.363 1.00 0.00 O ATOM 0 H GLU A 7 -14.768 17.543 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.672 15.922 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.025 16.997 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.177 16.166 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.747 17.979 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.417 18.829 -6.536 1.00 0.00 H new ATOM 102 N GLN A 8 -13.982 14.605 -4.342 1.00 0.00 N ATOM 103 CA GLN A 8 -13.695 13.382 -3.659 1.00 0.00 C ATOM 104 C GLN A 8 -14.901 12.577 -3.318 1.00 0.00 C ATOM 105 O GLN A 8 -14.890 11.358 -3.485 1.00 0.00 O ATOM 106 CB GLN A 8 -12.838 13.531 -2.390 1.00 0.00 C ATOM 107 CG GLN A 8 -11.446 14.104 -2.663 1.00 0.00 C ATOM 108 CD GLN A 8 -10.650 14.290 -1.378 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.640 15.309 -0.690 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.687 13.351 -1.178 1.00 0.00 N ATOM 0 H GLN A 8 -13.686 15.425 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.107 12.848 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.357 14.178 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.735 12.556 -1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.904 13.438 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.541 15.062 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.680 12.500 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.971 13.498 -0.466 1.00 0.00 H new ATOM 119 N ILE A 9 -16.003 13.216 -2.888 1.00 0.00 N ATOM 120 CA ILE A 9 -17.204 12.621 -2.389 1.00 0.00 C ATOM 121 C ILE A 9 -18.064 12.097 -3.487 1.00 0.00 C ATOM 122 O ILE A 9 -18.717 11.056 -3.444 1.00 0.00 O ATOM 123 CB ILE A 9 -17.947 13.576 -1.502 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.183 13.742 -0.178 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.313 13.018 -1.066 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.761 14.670 0.889 1.00 0.00 C ATOM 0 H ILE A 9 -16.057 14.235 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.919 11.762 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.055 14.498 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.074 12.753 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.180 14.096 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.815 13.743 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.926 12.827 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.168 12.088 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.105 14.677 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.842 15.680 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.749 14.316 1.182 1.00 0.00 H new ATOM 138 N ALA A 10 -17.878 12.733 -4.657 1.00 0.00 N ATOM 139 CA ALA A 10 -18.439 12.283 -5.893 1.00 0.00 C ATOM 140 C ALA A 10 -17.844 10.978 -6.296 1.00 0.00 C ATOM 141 O ALA A 10 -18.505 10.030 -6.717 1.00 0.00 O ATOM 142 CB ALA A 10 -18.154 13.464 -6.837 1.00 0.00 C ATOM 0 H ALA A 10 -17.322 13.584 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.505 12.058 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.542 13.238 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.640 14.361 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.078 13.631 -6.897 1.00 0.00 H new ATOM 148 N GLU A 11 -16.500 10.919 -6.300 1.00 0.00 N ATOM 149 CA GLU A 11 -15.710 9.770 -6.617 1.00 0.00 C ATOM 150 C GLU A 11 -16.005 8.616 -5.721 1.00 0.00 C ATOM 151 O GLU A 11 -16.109 7.475 -6.169 1.00 0.00 O ATOM 152 CB GLU A 11 -14.205 10.080 -6.682 1.00 0.00 C ATOM 153 CG GLU A 11 -13.729 10.790 -7.951 1.00 0.00 C ATOM 154 CD GLU A 11 -12.238 11.079 -7.858 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.514 10.163 -7.384 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.897 12.242 -8.202 1.00 0.00 O ATOM 0 H GLU A 11 -15.927 11.730 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.004 9.472 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.942 10.696 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.655 9.144 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.934 10.169 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.280 11.721 -8.085 1.00 0.00 H new ATOM 163 N PHE A 12 -16.087 8.848 -4.399 1.00 0.00 N ATOM 164 CA PHE A 12 -16.471 7.835 -3.466 1.00 0.00 C ATOM 165 C PHE A 12 -17.866 7.319 -3.565 1.00 0.00 C ATOM 166 O PHE A 12 -18.077 6.125 -3.358 1.00 0.00 O ATOM 167 CB PHE A 12 -16.252 8.495 -2.094 1.00 0.00 C ATOM 168 CG PHE A 12 -14.808 8.733 -1.817 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.828 7.820 -2.127 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.422 9.768 -0.998 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.519 8.031 -1.762 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.152 9.840 -0.477 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.120 9.053 -0.933 1.00 0.00 C ATOM 0 H PHE A 12 -15.884 9.752 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.878 6.941 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.790 9.442 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.671 7.859 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.091 6.922 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.134 10.544 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.766 7.359 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.957 10.541 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.088 9.223 -0.664 1.00 0.00 H new ATOM 183 N LYS A 13 -18.775 8.239 -3.932 1.00 0.00 N ATOM 184 CA LYS A 13 -20.106 7.901 -4.331 1.00 0.00 C ATOM 185 C LYS A 13 -20.150 6.998 -5.516 1.00 0.00 C ATOM 186 O LYS A 13 -20.778 5.947 -5.399 1.00 0.00 O ATOM 187 CB LYS A 13 -20.946 9.183 -4.457 1.00 0.00 C ATOM 188 CG LYS A 13 -22.417 8.892 -4.760 1.00 0.00 C ATOM 189 CD LYS A 13 -23.303 10.139 -4.756 1.00 0.00 C ATOM 190 CE LYS A 13 -23.336 10.837 -3.395 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.114 12.095 -3.448 1.00 0.00 N ATOM 0 H LYS A 13 -18.581 9.240 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.569 7.296 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.875 9.753 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.532 9.808 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.490 8.408 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.798 8.184 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.941 10.839 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.317 9.860 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.773 10.169 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.318 11.051 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.116 12.542 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.682 12.742 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.092 11.887 -3.734 1.00 0.00 H new ATOM 205 N GLU A 14 -19.498 7.327 -6.645 1.00 0.00 N ATOM 206 CA GLU A 14 -19.462 6.568 -7.856 1.00 0.00 C ATOM 207 C GLU A 14 -18.818 5.238 -7.670 1.00 0.00 C ATOM 208 O GLU A 14 -19.310 4.229 -8.172 1.00 0.00 O ATOM 209 CB GLU A 14 -18.935 7.420 -9.023 1.00 0.00 C ATOM 210 CG GLU A 14 -19.098 6.654 -10.337 1.00 0.00 C ATOM 211 CD GLU A 14 -18.404 7.437 -11.443 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.953 8.473 -11.905 1.00 0.00 O ATOM 213 OE2 GLU A 14 -17.330 6.991 -11.928 1.00 0.00 O ATOM 0 H GLU A 14 -18.956 8.188 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.480 6.308 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.479 8.363 -9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.885 7.665 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.666 5.657 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.155 6.524 -10.571 1.00 0.00 H new ATOM 220 N ALA A 15 -17.655 5.142 -7.000 1.00 0.00 N ATOM 221 CA ALA A 15 -17.091 3.908 -6.550 1.00 0.00 C ATOM 222 C ALA A 15 -18.078 3.123 -5.756 1.00 0.00 C ATOM 223 O ALA A 15 -18.191 1.922 -5.997 1.00 0.00 O ATOM 224 CB ALA A 15 -15.803 4.065 -5.723 1.00 0.00 C ATOM 0 H ALA A 15 -17.087 5.955 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.825 3.377 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.442 3.082 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.042 4.562 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.011 4.663 -4.835 1.00 0.00 H new ATOM 230 N PHE A 16 -18.847 3.655 -4.790 1.00 0.00 N ATOM 231 CA PHE A 16 -19.878 2.959 -4.084 1.00 0.00 C ATOM 232 C PHE A 16 -21.050 2.454 -4.854 1.00 0.00 C ATOM 233 O PHE A 16 -21.494 1.324 -4.659 1.00 0.00 O ATOM 234 CB PHE A 16 -20.427 3.829 -2.941 1.00 0.00 C ATOM 235 CG PHE A 16 -21.071 2.974 -1.904 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.209 2.572 -0.911 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.424 2.731 -1.883 1.00 0.00 C ATOM 238 CE1 PHE A 16 -20.761 1.933 0.174 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.960 2.138 -0.765 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.123 1.771 0.262 1.00 0.00 C ATOM 0 H PHE A 16 -18.744 4.623 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.349 2.066 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.618 4.407 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.151 4.543 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.146 2.750 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.049 2.999 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.122 1.557 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.023 1.963 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.546 1.345 1.160 1.00 0.00 H new ATOM 250 N SER A 17 -21.619 3.204 -5.814 1.00 0.00 N ATOM 251 CA SER A 17 -22.772 2.844 -6.579 1.00 0.00 C ATOM 252 C SER A 17 -22.410 1.814 -7.593 1.00 0.00 C ATOM 253 O SER A 17 -23.282 1.015 -7.930 1.00 0.00 O ATOM 254 CB SER A 17 -23.486 4.102 -7.101 1.00 0.00 C ATOM 255 OG SER A 17 -22.706 4.714 -8.118 1.00 0.00 O ATOM 0 H SER A 17 -21.250 4.119 -6.072 1.00 0.00 H new ATOM 0 HA SER A 17 -23.523 2.358 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.468 3.837 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 17 -23.649 4.804 -6.283 1.00 0.00 H new ATOM 0 HG SER A 17 -23.167 5.514 -8.447 1.00 0.00 H new ATOM 261 N LEU A 18 -21.148 1.785 -8.057 1.00 0.00 N ATOM 262 CA LEU A 18 -20.524 0.675 -8.707 1.00 0.00 C ATOM 263 C LEU A 18 -20.655 -0.606 -7.958 1.00 0.00 C ATOM 264 O LEU A 18 -21.084 -1.606 -8.532 1.00 0.00 O ATOM 265 CB LEU A 18 -19.026 0.913 -8.962 1.00 0.00 C ATOM 266 CG LEU A 18 -18.462 0.299 -10.254 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.909 1.025 -11.534 1.00 0.00 C ATOM 268 CD2 LEU A 18 -16.932 0.159 -10.317 1.00 0.00 C ATOM 0 H LEU A 18 -20.525 2.588 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.061 0.590 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.847 1.988 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.465 0.514 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.894 -0.701 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.471 0.534 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.996 0.994 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.578 2.063 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.646 -0.285 -11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.472 1.143 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.591 -0.481 -9.503 1.00 0.00 H new ATOM 280 N PHE A 19 -20.389 -0.641 -6.640 1.00 0.00 N ATOM 281 CA PHE A 19 -20.681 -1.791 -5.841 1.00 0.00 C ATOM 282 C PHE A 19 -22.116 -2.117 -5.610 1.00 0.00 C ATOM 283 O PHE A 19 -22.556 -3.220 -5.930 1.00 0.00 O ATOM 284 CB PHE A 19 -19.946 -1.824 -4.490 1.00 0.00 C ATOM 285 CG PHE A 19 -18.458 -1.889 -4.543 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.866 -2.876 -5.295 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.680 -0.968 -3.881 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.500 -3.017 -5.230 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.308 -1.064 -3.894 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.715 -2.125 -4.538 1.00 0.00 C ATOM 0 H PHE A 19 -19.969 0.133 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.292 -2.570 -6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.229 -0.935 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.305 -2.686 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.460 -3.525 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.153 -0.159 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.032 -3.849 -5.735 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.703 -0.315 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.644 -2.256 -4.500 1.00 0.00 H new ATOM 300 N ASP A 20 -22.858 -1.144 -5.051 1.00 0.00 N ATOM 301 CA ASP A 20 -24.223 -1.233 -4.636 1.00 0.00 C ATOM 302 C ASP A 20 -25.206 -1.492 -5.725 1.00 0.00 C ATOM 303 O ASP A 20 -25.401 -0.646 -6.597 1.00 0.00 O ATOM 304 CB ASP A 20 -24.713 0.088 -4.020 1.00 0.00 C ATOM 305 CG ASP A 20 -25.893 -0.031 -3.066 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.641 -1.045 -3.037 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.178 1.028 -2.445 1.00 0.00 O ATOM 0 H ASP A 20 -22.468 -0.218 -4.876 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.197 -2.071 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.882 0.550 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.989 0.765 -4.828 1.00 0.00 H new ATOM 312 N LYS A 21 -25.855 -2.670 -5.715 1.00 0.00 N ATOM 313 CA LYS A 21 -26.759 -2.922 -6.794 1.00 0.00 C ATOM 314 C LYS A 21 -28.129 -2.353 -6.645 1.00 0.00 C ATOM 315 O LYS A 21 -28.712 -1.851 -7.604 1.00 0.00 O ATOM 316 CB LYS A 21 -26.820 -4.456 -6.871 1.00 0.00 C ATOM 317 CG LYS A 21 -27.174 -5.083 -8.221 1.00 0.00 C ATOM 318 CD LYS A 21 -27.475 -6.578 -8.097 1.00 0.00 C ATOM 319 CE LYS A 21 -27.729 -7.248 -9.449 1.00 0.00 C ATOM 320 NZ LYS A 21 -29.020 -6.884 -10.075 1.00 0.00 N ATOM 0 H LYS A 21 -25.766 -3.404 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.393 -2.429 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.850 -4.847 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.550 -4.801 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.040 -4.572 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.348 -4.936 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.638 -7.072 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.348 -6.716 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.920 -6.983 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.694 -8.330 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.116 -7.378 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.801 -7.161 -9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.051 -5.857 -10.234 1.00 0.00 H new ATOM 334 N ASP A 22 -28.544 -2.329 -5.366 1.00 0.00 N ATOM 335 CA ASP A 22 -29.832 -1.918 -4.900 1.00 0.00 C ATOM 336 C ASP A 22 -29.937 -0.432 -4.885 1.00 0.00 C ATOM 337 O ASP A 22 -31.031 0.119 -5.001 1.00 0.00 O ATOM 338 CB ASP A 22 -30.108 -2.518 -3.511 1.00 0.00 C ATOM 339 CG ASP A 22 -29.612 -3.954 -3.424 1.00 0.00 C ATOM 340 OD1 ASP A 22 -30.239 -4.775 -4.145 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.808 -4.307 -2.519 1.00 0.00 O ATOM 0 H ASP A 22 -27.933 -2.619 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.592 -2.292 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.618 -1.914 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.178 -2.487 -3.304 1.00 0.00 H new ATOM 346 N GLY A 23 -28.794 0.205 -4.577 1.00 0.00 N ATOM 347 CA GLY A 23 -28.847 1.623 -4.399 1.00 0.00 C ATOM 348 C GLY A 23 -29.453 2.043 -3.104 1.00 0.00 C ATOM 349 O GLY A 23 -29.915 3.180 -3.020 1.00 0.00 O ATOM 0 H GLY A 23 -27.880 -0.231 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.836 2.026 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.419 2.062 -5.217 1.00 0.00 H new ATOM 353 N ASP A 24 -29.373 1.205 -2.056 1.00 0.00 N ATOM 354 CA ASP A 24 -29.947 1.500 -0.780 1.00 0.00 C ATOM 355 C ASP A 24 -29.014 2.301 0.060 1.00 0.00 C ATOM 356 O ASP A 24 -29.505 3.013 0.935 1.00 0.00 O ATOM 357 CB ASP A 24 -30.375 0.187 -0.102 1.00 0.00 C ATOM 358 CG ASP A 24 -29.235 -0.787 0.159 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.650 -1.318 -0.822 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.765 -0.973 1.313 1.00 0.00 O ATOM 0 H ASP A 24 -28.899 0.303 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.835 2.118 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.859 0.423 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.120 -0.304 -0.727 1.00 0.00 H new ATOM 365 N GLY A 25 -27.684 2.198 -0.111 1.00 0.00 N ATOM 366 CA GLY A 25 -26.762 2.749 0.834 1.00 0.00 C ATOM 367 C GLY A 25 -25.872 1.733 1.465 1.00 0.00 C ATOM 368 O GLY A 25 -24.907 2.156 2.098 1.00 0.00 O ATOM 0 H GLY A 25 -27.246 1.732 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.147 3.498 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.321 3.265 1.615 1.00 0.00 H new ATOM 372 N THR A 26 -26.017 0.400 1.360 1.00 0.00 N ATOM 373 CA THR A 26 -25.216 -0.614 1.972 1.00 0.00 C ATOM 374 C THR A 26 -24.691 -1.530 0.921 1.00 0.00 C ATOM 375 O THR A 26 -25.384 -1.793 -0.061 1.00 0.00 O ATOM 376 CB THR A 26 -25.943 -1.472 2.965 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.913 -2.335 2.390 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.655 -0.601 4.014 1.00 0.00 C ATOM 0 H THR A 26 -26.764 -0.003 0.794 1.00 0.00 H new ATOM 0 HA THR A 26 -24.433 -0.074 2.505 1.00 0.00 H new ATOM 0 HB THR A 26 -25.169 -2.093 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.516 -1.815 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.177 -1.241 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.920 0.005 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.374 0.051 3.518 1.00 0.00 H new ATOM 386 N ILE A 27 -23.483 -2.042 1.217 1.00 0.00 N ATOM 387 CA ILE A 27 -22.937 -3.051 0.364 1.00 0.00 C ATOM 388 C ILE A 27 -22.593 -4.227 1.213 1.00 0.00 C ATOM 389 O ILE A 27 -22.147 -4.198 2.359 1.00 0.00 O ATOM 390 CB ILE A 27 -21.761 -2.566 -0.430 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.704 -1.780 0.365 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.327 -1.780 -1.625 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.309 -1.928 -0.240 1.00 0.00 C ATOM 0 H ILE A 27 -22.904 -1.772 2.013 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.679 -3.333 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.186 -3.430 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.979 -0.725 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.691 -2.131 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.506 -1.405 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.956 -2.436 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.921 -0.941 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.593 -1.357 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.022 -2.980 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.315 -1.553 -1.263 1.00 0.00 H new ATOM 405 N THR A 28 -22.964 -5.366 0.603 1.00 0.00 N ATOM 406 CA THR A 28 -22.827 -6.693 1.120 1.00 0.00 C ATOM 407 C THR A 28 -21.559 -7.311 0.640 1.00 0.00 C ATOM 408 O THR A 28 -20.921 -6.717 -0.227 1.00 0.00 O ATOM 409 CB THR A 28 -24.003 -7.566 0.798 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.029 -8.008 -0.552 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.319 -6.872 1.184 1.00 0.00 C ATOM 0 H THR A 28 -23.393 -5.358 -0.323 1.00 0.00 H new ATOM 0 HA THR A 28 -22.792 -6.609 2.206 1.00 0.00 H new ATOM 0 HB THR A 28 -23.890 -8.467 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.825 -8.559 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.159 -7.523 0.942 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.320 -6.662 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.413 -5.937 0.631 1.00 0.00 H new ATOM 419 N THR A 29 -21.133 -8.452 1.210 1.00 0.00 N ATOM 420 CA THR A 29 -19.954 -9.187 0.871 1.00 0.00 C ATOM 421 C THR A 29 -20.077 -9.721 -0.515 1.00 0.00 C ATOM 422 O THR A 29 -19.133 -9.858 -1.292 1.00 0.00 O ATOM 423 CB THR A 29 -19.605 -10.313 1.799 1.00 0.00 C ATOM 424 OG1 THR A 29 -19.832 -9.934 3.148 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.094 -10.604 1.779 1.00 0.00 C ATOM 0 H THR A 29 -21.655 -8.894 1.967 1.00 0.00 H new ATOM 0 HA THR A 29 -19.139 -8.468 0.961 1.00 0.00 H new ATOM 0 HB THR A 29 -20.208 -11.160 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.693 -10.708 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.872 -11.425 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.790 -10.880 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.548 -9.714 2.092 1.00 0.00 H new ATOM 433 N LYS A 30 -21.319 -10.041 -0.920 1.00 0.00 N ATOM 434 CA LYS A 30 -21.632 -10.376 -2.274 1.00 0.00 C ATOM 435 C LYS A 30 -21.498 -9.210 -3.191 1.00 0.00 C ATOM 436 O LYS A 30 -20.893 -9.314 -4.257 1.00 0.00 O ATOM 437 CB LYS A 30 -23.098 -10.842 -2.260 1.00 0.00 C ATOM 438 CG LYS A 30 -23.439 -12.122 -1.493 1.00 0.00 C ATOM 439 CD LYS A 30 -24.941 -12.272 -1.243 1.00 0.00 C ATOM 440 CE LYS A 30 -25.321 -13.427 -0.315 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.789 -13.299 1.060 1.00 0.00 N ATOM 0 H LYS A 30 -22.123 -10.067 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.944 -11.139 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.701 -10.034 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.415 -10.978 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.079 -12.985 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.913 -12.121 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.320 -11.342 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.443 -12.413 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.408 -13.498 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.959 -14.360 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.145 -14.083 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.750 -13.330 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.098 -12.394 1.469 1.00 0.00 H new ATOM 455 N GLU A 31 -21.988 -7.998 -2.873 1.00 0.00 N ATOM 456 CA GLU A 31 -21.896 -6.822 -3.681 1.00 0.00 C ATOM 457 C GLU A 31 -20.505 -6.321 -3.862 1.00 0.00 C ATOM 458 O GLU A 31 -20.138 -5.808 -4.918 1.00 0.00 O ATOM 459 CB GLU A 31 -22.818 -5.726 -3.120 1.00 0.00 C ATOM 460 CG GLU A 31 -24.325 -5.963 -3.240 1.00 0.00 C ATOM 461 CD GLU A 31 -25.219 -4.843 -2.729 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.253 -4.616 -1.489 1.00 0.00 O ATOM 463 OE2 GLU A 31 -26.064 -4.256 -3.455 1.00 0.00 O ATOM 0 H GLU A 31 -22.480 -7.830 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.230 -7.102 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.579 -5.588 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.580 -4.790 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.562 -6.141 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.574 -6.875 -2.698 1.00 0.00 H new ATOM 470 N LEU A 32 -19.625 -6.532 -2.867 1.00 0.00 N ATOM 471 CA LEU A 32 -18.210 -6.364 -2.994 1.00 0.00 C ATOM 472 C LEU A 32 -17.546 -7.313 -3.932 1.00 0.00 C ATOM 473 O LEU A 32 -16.947 -6.859 -4.905 1.00 0.00 O ATOM 474 CB LEU A 32 -17.452 -6.489 -1.663 1.00 0.00 C ATOM 475 CG LEU A 32 -17.543 -5.291 -0.703 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.059 -5.692 0.701 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.831 -4.026 -1.211 1.00 0.00 C ATOM 0 H LEU A 32 -19.911 -6.832 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.149 -5.350 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.822 -7.372 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.400 -6.668 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.597 -5.018 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.129 -4.834 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.681 -6.501 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.023 -6.026 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.941 -3.227 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.772 -4.239 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.274 -3.714 -2.157 1.00 0.00 H new ATOM 489 N GLY A 33 -17.742 -8.610 -3.633 1.00 0.00 N ATOM 490 CA GLY A 33 -17.113 -9.725 -4.268 1.00 0.00 C ATOM 491 C GLY A 33 -17.465 -9.727 -5.716 1.00 0.00 C ATOM 492 O GLY A 33 -16.577 -9.910 -6.548 1.00 0.00 O ATOM 0 H GLY A 33 -18.385 -8.898 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.032 -9.667 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.437 -10.655 -3.801 1.00 0.00 H new ATOM 496 N THR A 34 -18.727 -9.475 -6.107 1.00 0.00 N ATOM 497 CA THR A 34 -19.190 -9.721 -7.438 1.00 0.00 C ATOM 498 C THR A 34 -18.618 -8.772 -8.433 1.00 0.00 C ATOM 499 O THR A 34 -18.151 -9.139 -9.510 1.00 0.00 O ATOM 500 CB THR A 34 -20.686 -9.699 -7.542 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.333 -10.648 -6.706 1.00 0.00 O ATOM 502 CG2 THR A 34 -21.213 -10.136 -8.919 1.00 0.00 C ATOM 0 H THR A 34 -19.440 -9.093 -5.486 1.00 0.00 H new ATOM 0 HA THR A 34 -18.837 -10.725 -7.673 1.00 0.00 H new ATOM 0 HB THR A 34 -20.900 -8.661 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.283 -10.350 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 34 -22.302 -10.096 -8.921 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.823 -9.467 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.887 -11.155 -9.127 1.00 0.00 H new ATOM 510 N VAL A 35 -18.598 -7.475 -8.078 1.00 0.00 N ATOM 511 CA VAL A 35 -18.033 -6.473 -8.926 1.00 0.00 C ATOM 512 C VAL A 35 -16.551 -6.462 -9.085 1.00 0.00 C ATOM 513 O VAL A 35 -16.104 -6.172 -10.193 1.00 0.00 O ATOM 514 CB VAL A 35 -18.658 -5.154 -8.581 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.783 -3.901 -8.757 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.977 -5.094 -9.369 1.00 0.00 C ATOM 0 H VAL A 35 -18.975 -7.119 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 35 -18.293 -6.738 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.819 -5.121 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.353 -3.016 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.900 -3.982 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.475 -3.816 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.483 -4.152 -9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.767 -5.164 -10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.617 -5.924 -9.070 1.00 0.00 H new ATOM 526 N MET A 36 -15.861 -6.842 -7.995 1.00 0.00 N ATOM 527 CA MET A 36 -14.487 -7.236 -8.042 1.00 0.00 C ATOM 528 C MET A 36 -14.168 -8.221 -9.114 1.00 0.00 C ATOM 529 O MET A 36 -13.257 -8.039 -9.921 1.00 0.00 O ATOM 530 CB MET A 36 -13.900 -7.751 -6.717 1.00 0.00 C ATOM 531 CG MET A 36 -13.771 -6.690 -5.623 1.00 0.00 C ATOM 532 SD MET A 36 -12.611 -7.026 -4.263 1.00 0.00 S ATOM 533 CE MET A 36 -13.577 -5.960 -3.155 1.00 0.00 C ATOM 0 H MET A 36 -16.267 -6.876 -7.060 1.00 0.00 H new ATOM 0 HA MET A 36 -14.005 -6.286 -8.273 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.528 -8.561 -6.347 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.915 -8.175 -6.912 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.474 -5.754 -6.095 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.759 -6.530 -5.191 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.918 -5.525 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.044 -5.163 -3.733 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.349 -6.552 -2.663 1.00 0.00 H new ATOM 543 N ARG A 37 -14.982 -9.273 -9.310 1.00 0.00 N ATOM 544 CA ARG A 37 -14.791 -10.169 -10.408 1.00 0.00 C ATOM 545 C ARG A 37 -15.016 -9.554 -11.746 1.00 0.00 C ATOM 546 O ARG A 37 -14.461 -9.995 -12.752 1.00 0.00 O ATOM 547 CB ARG A 37 -15.858 -11.274 -10.340 1.00 0.00 C ATOM 548 CG ARG A 37 -15.755 -12.234 -9.153 1.00 0.00 C ATOM 549 CD ARG A 37 -14.467 -13.059 -9.104 1.00 0.00 C ATOM 550 NE ARG A 37 -14.481 -13.984 -10.271 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.573 -13.941 -11.289 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.545 -13.049 -11.398 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.801 -14.733 -12.378 1.00 0.00 N ATOM 0 H ARG A 37 -15.773 -9.503 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.759 -10.507 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.840 -10.802 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.807 -11.858 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.837 -11.659 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.605 -12.915 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.594 -12.408 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.407 -13.620 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.214 -14.693 -10.312 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.408 -12.338 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.914 -13.094 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.628 -15.330 -12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.145 -14.728 -13.159 1.00 0.00 H new ATOM 567 N SER A 38 -15.911 -8.553 -11.832 1.00 0.00 N ATOM 568 CA SER A 38 -16.258 -7.967 -13.090 1.00 0.00 C ATOM 569 C SER A 38 -15.195 -7.102 -13.675 1.00 0.00 C ATOM 570 O SER A 38 -15.172 -6.747 -14.853 1.00 0.00 O ATOM 571 CB SER A 38 -17.493 -7.051 -13.114 1.00 0.00 C ATOM 572 OG SER A 38 -18.605 -7.707 -12.523 1.00 0.00 O ATOM 0 H SER A 38 -16.395 -8.149 -11.030 1.00 0.00 H new ATOM 0 HA SER A 38 -16.441 -8.882 -13.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.279 -6.127 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.729 -6.775 -14.142 1.00 0.00 H new ATOM 0 HG SER A 38 -19.384 -7.113 -12.543 1.00 0.00 H new ATOM 578 N LEU A 39 -14.201 -6.752 -12.840 1.00 0.00 N ATOM 579 CA LEU A 39 -13.003 -6.063 -13.207 1.00 0.00 C ATOM 580 C LEU A 39 -12.039 -7.050 -13.771 1.00 0.00 C ATOM 581 O LEU A 39 -11.207 -6.632 -14.575 1.00 0.00 O ATOM 582 CB LEU A 39 -12.373 -5.281 -12.041 1.00 0.00 C ATOM 583 CG LEU A 39 -13.317 -4.200 -11.488 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.970 -3.929 -10.014 1.00 0.00 C ATOM 585 CD2 LEU A 39 -13.190 -2.975 -12.410 1.00 0.00 C ATOM 0 H LEU A 39 -14.237 -6.965 -11.843 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.260 -5.314 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.109 -5.974 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.447 -4.815 -12.377 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.363 -4.506 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.637 -3.163 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.088 -4.847 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.938 -3.585 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.846 -2.181 -12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.159 -2.623 -12.407 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.476 -3.252 -13.425 1.00 0.00 H new ATOM 597 N GLY A 40 -12.055 -8.349 -13.424 1.00 0.00 N ATOM 598 CA GLY A 40 -11.038 -9.324 -13.669 1.00 0.00 C ATOM 599 C GLY A 40 -10.250 -9.622 -12.440 1.00 0.00 C ATOM 600 O GLY A 40 -9.144 -10.157 -12.495 1.00 0.00 O ATOM 0 H GLY A 40 -12.851 -8.751 -12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.496 -10.242 -14.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.370 -8.964 -14.451 1.00 0.00 H new ATOM 604 N GLN A 41 -10.705 -9.297 -11.217 1.00 0.00 N ATOM 605 CA GLN A 41 -9.878 -9.391 -10.054 1.00 0.00 C ATOM 606 C GLN A 41 -10.431 -10.493 -9.217 1.00 0.00 C ATOM 607 O GLN A 41 -11.551 -10.970 -9.391 1.00 0.00 O ATOM 608 CB GLN A 41 -9.852 -8.101 -9.217 1.00 0.00 C ATOM 609 CG GLN A 41 -9.295 -7.022 -10.147 1.00 0.00 C ATOM 610 CD GLN A 41 -7.849 -7.323 -10.516 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.610 -7.883 -11.585 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.864 -6.977 -9.645 1.00 0.00 N ATOM 0 H GLN A 41 -11.652 -8.967 -11.033 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.853 -9.572 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.851 -7.840 -8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.225 -8.219 -8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.902 -6.965 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.356 -6.049 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.099 -6.514 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.890 -7.181 -9.869 1.00 0.00 H new ATOM 621 N ASN A 42 -9.593 -10.975 -8.281 1.00 0.00 N ATOM 622 CA ASN A 42 -9.927 -12.219 -7.659 1.00 0.00 C ATOM 623 C ASN A 42 -9.874 -12.141 -6.172 1.00 0.00 C ATOM 624 O ASN A 42 -8.811 -12.419 -5.619 1.00 0.00 O ATOM 625 CB ASN A 42 -9.002 -13.375 -8.073 1.00 0.00 C ATOM 626 CG ASN A 42 -9.190 -13.735 -9.540 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.114 -14.453 -9.919 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.225 -13.253 -10.369 1.00 0.00 N ATOM 0 H ASN A 42 -8.729 -10.532 -7.967 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.943 -12.417 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.964 -13.094 -7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.207 -14.248 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.244 -13.484 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.482 -12.661 -9.997 1.00 0.00 H new ATOM 635 N PRO A 43 -10.855 -11.676 -5.457 1.00 0.00 N ATOM 636 CA PRO A 43 -10.847 -11.748 -4.024 1.00 0.00 C ATOM 637 C PRO A 43 -11.111 -13.079 -3.409 1.00 0.00 C ATOM 638 O PRO A 43 -11.118 -14.078 -4.128 1.00 0.00 O ATOM 639 CB PRO A 43 -11.956 -10.773 -3.633 1.00 0.00 C ATOM 640 CG PRO A 43 -12.974 -10.913 -4.776 1.00 0.00 C ATOM 641 CD PRO A 43 -12.083 -11.126 -6.010 1.00 0.00 C ATOM 0 HA PRO A 43 -9.845 -11.522 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.396 -11.031 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.583 -9.752 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.648 -11.754 -4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.594 -10.022 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.543 -11.810 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.900 -10.190 -6.539 1.00 0.00 H new ATOM 649 N THR A 44 -11.129 -13.216 -2.072 1.00 0.00 N ATOM 650 CA THR A 44 -11.779 -14.347 -1.485 1.00 0.00 C ATOM 651 C THR A 44 -12.872 -13.897 -0.579 1.00 0.00 C ATOM 652 O THR A 44 -12.812 -12.781 -0.065 1.00 0.00 O ATOM 653 CB THR A 44 -10.944 -15.341 -0.734 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.165 -14.795 0.321 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.953 -15.932 -1.751 1.00 0.00 C ATOM 0 H THR A 44 -10.706 -12.564 -1.412 1.00 0.00 H new ATOM 0 HA THR A 44 -12.128 -14.888 -2.364 1.00 0.00 H new ATOM 0 HB THR A 44 -11.630 -16.057 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.656 -15.511 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.317 -16.665 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.504 -16.416 -2.557 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.334 -15.134 -2.162 1.00 0.00 H new ATOM 663 N GLU A 45 -13.888 -14.728 -0.285 1.00 0.00 N ATOM 664 CA GLU A 45 -14.974 -14.499 0.617 1.00 0.00 C ATOM 665 C GLU A 45 -14.571 -14.248 2.029 1.00 0.00 C ATOM 666 O GLU A 45 -14.894 -13.224 2.629 1.00 0.00 O ATOM 667 CB GLU A 45 -15.993 -15.611 0.315 1.00 0.00 C ATOM 668 CG GLU A 45 -16.697 -15.400 -1.027 1.00 0.00 C ATOM 669 CD GLU A 45 -17.777 -16.452 -1.233 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.475 -16.981 -0.327 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.969 -16.746 -2.443 1.00 0.00 O ATOM 0 H GLU A 45 -13.953 -15.647 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.467 -13.540 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.485 -16.575 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.736 -15.647 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.140 -14.404 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.970 -15.452 -1.838 1.00 0.00 H new ATOM 678 N ALA A 46 -13.836 -15.195 2.638 1.00 0.00 N ATOM 679 CA ALA A 46 -13.303 -14.998 3.950 1.00 0.00 C ATOM 680 C ALA A 46 -12.344 -13.879 4.170 1.00 0.00 C ATOM 681 O ALA A 46 -12.354 -13.344 5.278 1.00 0.00 O ATOM 682 CB ALA A 46 -12.733 -16.304 4.529 1.00 0.00 C ATOM 0 H ALA A 46 -13.610 -16.098 2.221 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.190 -14.672 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.336 -16.117 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.524 -17.052 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.934 -16.670 3.884 1.00 0.00 H new ATOM 688 N GLU A 47 -11.625 -13.452 3.116 1.00 0.00 N ATOM 689 CA GLU A 47 -10.891 -12.226 3.169 1.00 0.00 C ATOM 690 C GLU A 47 -11.761 -11.016 3.185 1.00 0.00 C ATOM 691 O GLU A 47 -11.631 -10.073 3.963 1.00 0.00 O ATOM 692 CB GLU A 47 -9.776 -12.071 2.121 1.00 0.00 C ATOM 693 CG GLU A 47 -8.865 -10.865 2.361 1.00 0.00 C ATOM 694 CD GLU A 47 -7.515 -10.952 1.663 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.502 -10.972 0.403 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.496 -11.217 2.354 1.00 0.00 O ATOM 0 H GLU A 47 -11.552 -13.953 2.231 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.385 -12.301 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.169 -12.977 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.229 -11.982 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.378 -9.964 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.700 -10.756 3.433 1.00 0.00 H new ATOM 703 N LEU A 48 -12.753 -10.914 2.283 1.00 0.00 N ATOM 704 CA LEU A 48 -13.827 -9.970 2.317 1.00 0.00 C ATOM 705 C LEU A 48 -14.559 -9.902 3.613 1.00 0.00 C ATOM 706 O LEU A 48 -14.952 -8.856 4.126 1.00 0.00 O ATOM 707 CB LEU A 48 -14.701 -10.224 1.077 1.00 0.00 C ATOM 708 CG LEU A 48 -14.129 -9.841 -0.298 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.192 -10.136 -1.370 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.670 -8.382 -0.456 1.00 0.00 C ATOM 0 H LEU A 48 -12.808 -11.534 1.475 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.426 -8.958 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.947 -11.286 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.638 -9.683 1.212 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.226 -10.441 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.802 -9.870 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.440 -11.197 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.088 -9.550 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.286 -8.229 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.514 -7.714 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.884 -8.167 0.268 1.00 0.00 H new ATOM 722 N GLN A 49 -14.743 -11.049 4.291 1.00 0.00 N ATOM 723 CA GLN A 49 -15.369 -11.072 5.576 1.00 0.00 C ATOM 724 C GLN A 49 -14.462 -10.538 6.631 1.00 0.00 C ATOM 725 O GLN A 49 -14.972 -9.791 7.464 1.00 0.00 O ATOM 726 CB GLN A 49 -15.908 -12.394 6.148 1.00 0.00 C ATOM 727 CG GLN A 49 -17.089 -13.009 5.394 1.00 0.00 C ATOM 728 CD GLN A 49 -18.400 -12.321 5.749 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.973 -11.643 4.898 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.869 -12.564 7.002 1.00 0.00 N ATOM 0 H GLN A 49 -14.456 -11.965 3.947 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.244 -10.462 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.095 -13.119 6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.208 -12.226 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.916 -12.932 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.159 -14.071 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.327 -13.140 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.763 -12.171 7.297 1.00 0.00 H new ATOM 739 N ASP A 50 -13.144 -10.804 6.587 1.00 0.00 N ATOM 740 CA ASP A 50 -12.238 -10.107 7.445 1.00 0.00 C ATOM 741 C ASP A 50 -12.357 -8.625 7.351 1.00 0.00 C ATOM 742 O ASP A 50 -12.252 -7.913 8.348 1.00 0.00 O ATOM 743 CB ASP A 50 -10.759 -10.482 7.254 1.00 0.00 C ATOM 744 CG ASP A 50 -10.478 -11.935 7.607 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.112 -12.386 8.598 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.596 -12.578 6.977 1.00 0.00 O ATOM 0 H ASP A 50 -12.711 -11.490 5.968 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.550 -10.438 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.472 -10.301 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.140 -9.834 7.874 1.00 0.00 H new ATOM 751 N MET A 51 -12.664 -8.133 6.137 1.00 0.00 N ATOM 752 CA MET A 51 -12.578 -6.733 5.858 1.00 0.00 C ATOM 753 C MET A 51 -13.693 -5.968 6.484 1.00 0.00 C ATOM 754 O MET A 51 -13.454 -5.001 7.206 1.00 0.00 O ATOM 755 CB MET A 51 -12.531 -6.502 4.338 1.00 0.00 C ATOM 756 CG MET A 51 -12.335 -5.049 3.901 1.00 0.00 C ATOM 757 SD MET A 51 -12.308 -5.160 2.086 1.00 0.00 S ATOM 758 CE MET A 51 -10.991 -3.943 1.799 1.00 0.00 C ATOM 0 H MET A 51 -12.971 -8.704 5.350 1.00 0.00 H new ATOM 0 HA MET A 51 -11.655 -6.359 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.721 -7.101 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.459 -6.873 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.145 -4.410 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.407 -4.633 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.808 -3.851 0.728 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.296 -2.976 2.199 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.078 -4.271 2.297 1.00 0.00 H new ATOM 768 N ILE A 52 -14.878 -6.590 6.352 1.00 0.00 N ATOM 769 CA ILE A 52 -16.064 -6.128 7.002 1.00 0.00 C ATOM 770 C ILE A 52 -16.026 -6.198 8.490 1.00 0.00 C ATOM 771 O ILE A 52 -16.484 -5.324 9.224 1.00 0.00 O ATOM 772 CB ILE A 52 -17.338 -6.797 6.577 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.447 -6.796 5.043 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.501 -5.969 7.148 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.839 -7.157 4.528 1.00 0.00 C ATOM 0 H ILE A 52 -15.015 -7.427 5.785 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.072 -5.090 6.671 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.361 -7.826 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.175 -5.809 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.724 -7.502 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.448 -6.425 6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.428 -5.941 8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.452 -4.954 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.841 -7.136 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.106 -8.156 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.565 -6.437 4.906 1.00 0.00 H new ATOM 787 N ASN A 53 -15.530 -7.328 9.025 1.00 0.00 N ATOM 788 CA ASN A 53 -15.418 -7.585 10.427 1.00 0.00 C ATOM 789 C ASN A 53 -14.385 -6.739 11.088 1.00 0.00 C ATOM 790 O ASN A 53 -14.362 -6.647 12.314 1.00 0.00 O ATOM 791 CB ASN A 53 -15.091 -9.074 10.632 1.00 0.00 C ATOM 792 CG ASN A 53 -15.136 -9.593 12.062 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.155 -9.499 12.745 1.00 0.00 O ATOM 794 ND2 ASN A 53 -13.992 -10.165 12.523 1.00 0.00 N ATOM 0 H ASN A 53 -15.191 -8.100 8.451 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.371 -7.331 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.789 -9.661 10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.094 -9.262 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.955 -10.538 13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.171 -10.221 11.920 1.00 0.00 H new ATOM 801 N GLU A 54 -13.577 -5.955 10.352 1.00 0.00 N ATOM 802 CA GLU A 54 -12.695 -4.933 10.825 1.00 0.00 C ATOM 803 C GLU A 54 -13.317 -3.594 11.024 1.00 0.00 C ATOM 804 O GLU A 54 -12.840 -2.741 11.770 1.00 0.00 O ATOM 805 CB GLU A 54 -11.606 -4.674 9.771 1.00 0.00 C ATOM 806 CG GLU A 54 -10.218 -4.622 10.414 1.00 0.00 C ATOM 807 CD GLU A 54 -9.111 -4.726 9.375 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.604 -5.800 8.955 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.739 -3.612 8.917 1.00 0.00 O ATOM 0 H GLU A 54 -13.539 -6.046 9.337 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.342 -5.316 11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.631 -5.460 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.808 -3.734 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.109 -3.690 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.120 -5.435 11.133 1.00 0.00 H new ATOM 816 N VAL A 55 -14.416 -3.294 10.309 1.00 0.00 N ATOM 817 CA VAL A 55 -15.008 -1.996 10.218 1.00 0.00 C ATOM 818 C VAL A 55 -16.421 -1.859 10.673 1.00 0.00 C ATOM 819 O VAL A 55 -16.920 -0.776 10.973 1.00 0.00 O ATOM 820 CB VAL A 55 -15.000 -1.417 8.834 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.568 -1.386 8.273 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.893 -2.196 7.853 1.00 0.00 C ATOM 0 H VAL A 55 -14.918 -3.996 9.765 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.352 -1.462 10.905 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.400 -0.407 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.580 -0.963 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.938 -0.773 8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.170 -2.400 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.846 -1.729 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.544 -3.226 7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.923 -2.185 8.211 1.00 0.00 H new ATOM 832 N ASP A 56 -17.134 -2.976 10.901 1.00 0.00 N ATOM 833 CA ASP A 56 -18.492 -2.993 11.351 1.00 0.00 C ATOM 834 C ASP A 56 -18.510 -3.005 12.841 1.00 0.00 C ATOM 835 O ASP A 56 -18.444 -4.007 13.551 1.00 0.00 O ATOM 836 CB ASP A 56 -19.166 -4.252 10.779 1.00 0.00 C ATOM 837 CG ASP A 56 -20.681 -4.128 10.850 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.254 -3.114 10.368 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.312 -5.130 11.279 1.00 0.00 O ATOM 0 H ASP A 56 -16.747 -3.910 10.766 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.033 -2.110 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.856 -4.399 9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.841 -5.130 11.337 1.00 0.00 H new ATOM 844 N ALA A 57 -18.569 -1.804 13.442 1.00 0.00 N ATOM 845 CA ALA A 57 -18.612 -1.428 14.821 1.00 0.00 C ATOM 846 C ALA A 57 -20.007 -1.171 15.276 1.00 0.00 C ATOM 847 O ALA A 57 -20.379 -1.469 16.409 1.00 0.00 O ATOM 848 CB ALA A 57 -17.724 -0.223 15.179 1.00 0.00 C ATOM 0 H ALA A 57 -18.590 -0.967 12.860 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.203 -2.288 15.351 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.817 -0.006 16.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.685 -0.455 14.945 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.041 0.646 14.603 1.00 0.00 H new ATOM 854 N ASP A 58 -20.792 -0.556 14.373 1.00 0.00 N ATOM 855 CA ASP A 58 -22.206 -0.372 14.467 1.00 0.00 C ATOM 856 C ASP A 58 -23.043 -1.592 14.644 1.00 0.00 C ATOM 857 O ASP A 58 -23.918 -1.758 15.492 1.00 0.00 O ATOM 858 CB ASP A 58 -22.716 0.560 13.355 1.00 0.00 C ATOM 859 CG ASP A 58 -22.493 -0.108 12.006 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.450 -0.743 11.694 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.346 0.151 11.115 1.00 0.00 O ATOM 0 H ASP A 58 -20.408 -0.159 13.515 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.344 0.119 15.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.775 0.773 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.191 1.514 13.394 1.00 0.00 H new ATOM 866 N GLY A 59 -22.696 -2.594 13.817 1.00 0.00 N ATOM 867 CA GLY A 59 -23.240 -3.903 14.011 1.00 0.00 C ATOM 868 C GLY A 59 -24.309 -4.337 13.069 1.00 0.00 C ATOM 869 O GLY A 59 -25.152 -5.070 13.583 1.00 0.00 O ATOM 0 H GLY A 59 -22.053 -2.503 13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.423 -4.622 13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.638 -3.958 15.024 1.00 0.00 H new ATOM 873 N ASN A 60 -24.389 -3.918 11.793 1.00 0.00 N ATOM 874 CA ASN A 60 -25.468 -4.295 10.934 1.00 0.00 C ATOM 875 C ASN A 60 -25.035 -5.369 9.996 1.00 0.00 C ATOM 876 O ASN A 60 -25.894 -5.943 9.329 1.00 0.00 O ATOM 877 CB ASN A 60 -26.100 -3.074 10.245 1.00 0.00 C ATOM 878 CG ASN A 60 -25.079 -2.256 9.469 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.885 -2.552 9.446 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.564 -1.118 8.902 1.00 0.00 N ATOM 0 H ASN A 60 -23.697 -3.311 11.353 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.270 -4.721 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.885 -3.408 9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.574 -2.441 10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.929 -0.471 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.562 -0.912 8.945 1.00 0.00 H new ATOM 887 N GLY A 61 -23.736 -5.705 9.893 1.00 0.00 N ATOM 888 CA GLY A 61 -23.230 -6.652 8.949 1.00 0.00 C ATOM 889 C GLY A 61 -22.996 -6.252 7.533 1.00 0.00 C ATOM 890 O GLY A 61 -22.592 -7.015 6.656 1.00 0.00 O ATOM 0 H GLY A 61 -23.013 -5.302 10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.282 -7.022 9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.921 -7.495 8.936 1.00 0.00 H new ATOM 894 N THR A 62 -23.128 -4.949 7.229 1.00 0.00 N ATOM 895 CA THR A 62 -22.853 -4.330 5.970 1.00 0.00 C ATOM 896 C THR A 62 -21.854 -3.225 5.989 1.00 0.00 C ATOM 897 O THR A 62 -21.632 -2.544 6.989 1.00 0.00 O ATOM 898 CB THR A 62 -24.014 -3.864 5.143 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.777 -2.925 5.887 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.848 -5.044 4.618 1.00 0.00 C ATOM 0 H THR A 62 -23.454 -4.275 7.921 1.00 0.00 H new ATOM 0 HA THR A 62 -22.432 -5.210 5.484 1.00 0.00 H new ATOM 0 HB THR A 62 -23.643 -3.357 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.677 -2.859 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.680 -4.666 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.221 -5.685 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.235 -5.619 5.459 1.00 0.00 H new ATOM 908 N ILE A 63 -21.155 -2.885 4.892 1.00 0.00 N ATOM 909 CA ILE A 63 -20.431 -1.652 4.880 1.00 0.00 C ATOM 910 C ILE A 63 -21.323 -0.583 4.350 1.00 0.00 C ATOM 911 O ILE A 63 -21.876 -0.762 3.265 1.00 0.00 O ATOM 912 CB ILE A 63 -19.159 -1.636 4.084 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.177 -2.724 4.551 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.492 -0.250 4.066 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.916 -2.756 3.689 1.00 0.00 C ATOM 0 H ILE A 63 -21.090 -3.442 4.040 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.127 -1.494 5.915 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.439 -1.865 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.903 -2.544 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.667 -3.697 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.576 -0.295 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.174 0.476 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.253 0.052 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.248 -3.537 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.188 -2.962 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.411 -1.792 3.747 1.00 0.00 H new ATOM 927 N ASP A 64 -21.626 0.402 5.214 1.00 0.00 N ATOM 928 CA ASP A 64 -22.441 1.489 4.770 1.00 0.00 C ATOM 929 C ASP A 64 -21.676 2.731 4.462 1.00 0.00 C ATOM 930 O ASP A 64 -20.498 2.875 4.784 1.00 0.00 O ATOM 931 CB ASP A 64 -23.515 1.755 5.838 1.00 0.00 C ATOM 932 CG ASP A 64 -23.027 1.815 7.278 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.655 0.750 7.840 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.170 2.909 7.887 1.00 0.00 O ATOM 0 H ASP A 64 -21.320 0.448 6.186 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.897 1.198 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.006 2.699 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.272 0.975 5.765 1.00 0.00 H new ATOM 939 N PHE A 65 -22.297 3.717 3.791 1.00 0.00 N ATOM 940 CA PHE A 65 -21.586 4.817 3.216 1.00 0.00 C ATOM 941 C PHE A 65 -20.752 5.652 4.125 1.00 0.00 C ATOM 942 O PHE A 65 -19.618 5.828 3.681 1.00 0.00 O ATOM 943 CB PHE A 65 -22.526 5.648 2.326 1.00 0.00 C ATOM 944 CG PHE A 65 -21.771 6.617 1.483 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.037 6.185 0.404 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.847 7.973 1.697 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.492 7.037 -0.528 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.194 8.832 0.845 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.550 8.389 -0.287 1.00 0.00 C ATOM 0 H PHE A 65 -23.306 3.752 3.645 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.814 4.350 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.105 4.982 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.238 6.187 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.880 5.123 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.416 8.361 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.030 6.654 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.186 9.888 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.099 9.090 -0.973 1.00 0.00 H new ATOM 959 N PRO A 66 -21.073 6.036 5.325 1.00 0.00 N ATOM 960 CA PRO A 66 -20.088 6.772 6.061 1.00 0.00 C ATOM 961 C PRO A 66 -18.998 5.906 6.592 1.00 0.00 C ATOM 962 O PRO A 66 -17.881 6.386 6.779 1.00 0.00 O ATOM 963 CB PRO A 66 -20.817 7.317 7.287 1.00 0.00 C ATOM 964 CG PRO A 66 -22.097 6.469 7.359 1.00 0.00 C ATOM 965 CD PRO A 66 -22.381 5.920 5.951 1.00 0.00 C ATOM 0 HA PRO A 66 -19.647 7.522 5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.216 7.211 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -21.045 8.377 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.973 5.652 8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.935 7.072 7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.734 4.889 5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.139 6.503 5.428 1.00 0.00 H new ATOM 973 N GLU A 67 -19.213 4.595 6.802 1.00 0.00 N ATOM 974 CA GLU A 67 -18.183 3.636 7.056 1.00 0.00 C ATOM 975 C GLU A 67 -17.222 3.464 5.931 1.00 0.00 C ATOM 976 O GLU A 67 -16.017 3.245 6.042 1.00 0.00 O ATOM 977 CB GLU A 67 -18.872 2.299 7.377 1.00 0.00 C ATOM 978 CG GLU A 67 -18.293 1.292 8.373 1.00 0.00 C ATOM 979 CD GLU A 67 -19.506 0.478 8.800 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.352 0.952 9.606 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.568 -0.683 8.314 1.00 0.00 O ATOM 0 H GLU A 67 -20.147 4.185 6.794 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.581 3.998 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.875 2.542 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.984 1.771 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.530 0.664 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.825 1.791 9.222 1.00 0.00 H new ATOM 988 N PHE A 68 -17.741 3.722 4.717 1.00 0.00 N ATOM 989 CA PHE A 68 -17.010 3.526 3.503 1.00 0.00 C ATOM 990 C PHE A 68 -16.106 4.695 3.310 1.00 0.00 C ATOM 991 O PHE A 68 -14.978 4.647 2.821 1.00 0.00 O ATOM 992 CB PHE A 68 -17.955 3.482 2.291 1.00 0.00 C ATOM 993 CG PHE A 68 -17.263 3.082 1.033 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.132 1.749 0.722 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.899 4.038 0.115 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.682 1.365 -0.520 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.494 3.684 -1.151 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.390 2.344 -1.440 1.00 0.00 C ATOM 0 H PHE A 68 -18.688 4.074 4.576 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.463 2.586 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.765 2.781 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.409 4.463 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.384 0.999 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.931 5.082 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.561 0.320 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.265 4.434 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.067 2.049 -2.427 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.587 5.890 3.698 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.889 7.137 3.663 1.00 0.00 C ATOM 1010 C LEU A 69 -14.799 7.054 4.676 1.00 0.00 C ATOM 1011 O LEU A 69 -13.646 7.396 4.417 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.858 8.275 4.025 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.229 9.671 4.167 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -15.791 10.213 2.796 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.386 10.486 4.770 1.00 0.00 C ATOM 0 H LEU A 69 -17.534 5.990 4.063 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.481 7.335 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.634 8.323 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.351 8.022 4.964 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.326 9.697 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.349 11.202 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.056 9.539 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.658 10.283 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.064 11.516 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.237 10.469 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.678 10.051 5.726 1.00 0.00 H new ATOM 1027 N THR A 70 -15.048 6.388 5.817 1.00 0.00 N ATOM 1028 CA THR A 70 -14.047 6.087 6.793 1.00 0.00 C ATOM 1029 C THR A 70 -12.960 5.154 6.384 1.00 0.00 C ATOM 1030 O THR A 70 -11.763 5.397 6.527 1.00 0.00 O ATOM 1031 CB THR A 70 -14.656 5.592 8.072 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.654 6.482 8.549 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.597 5.437 9.177 1.00 0.00 C ATOM 0 H THR A 70 -15.976 6.048 6.069 1.00 0.00 H new ATOM 0 HA THR A 70 -13.560 7.053 6.929 1.00 0.00 H new ATOM 0 HB THR A 70 -15.099 4.623 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.439 6.436 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.073 5.077 10.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.839 4.722 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.128 6.402 9.369 1.00 0.00 H new ATOM 1041 N MET A 71 -13.282 4.004 5.765 1.00 0.00 N ATOM 1042 CA MET A 71 -12.418 3.030 5.174 1.00 0.00 C ATOM 1043 C MET A 71 -11.558 3.611 4.105 1.00 0.00 C ATOM 1044 O MET A 71 -10.338 3.451 4.118 1.00 0.00 O ATOM 1045 CB MET A 71 -13.311 1.955 4.533 1.00 0.00 C ATOM 1046 CG MET A 71 -12.505 0.813 3.910 1.00 0.00 C ATOM 1047 SD MET A 71 -13.566 -0.532 3.302 1.00 0.00 S ATOM 1048 CE MET A 71 -13.950 0.294 1.731 1.00 0.00 C ATOM 0 H MET A 71 -14.260 3.729 5.670 1.00 0.00 H new ATOM 0 HA MET A 71 -11.764 2.630 5.949 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.984 1.549 5.289 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.934 2.416 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.907 1.201 3.086 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.809 0.417 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.523 -0.381 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.535 1.193 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.023 0.567 1.227 1.00 0.00 H new ATOM 1058 N MET A 72 -12.049 4.366 3.106 1.00 0.00 N ATOM 1059 CA MET A 72 -11.264 5.159 2.211 1.00 0.00 C ATOM 1060 C MET A 72 -10.395 6.144 2.913 1.00 0.00 C ATOM 1061 O MET A 72 -9.238 6.326 2.537 1.00 0.00 O ATOM 1062 CB MET A 72 -12.187 5.905 1.233 1.00 0.00 C ATOM 1063 CG MET A 72 -12.766 4.979 0.160 1.00 0.00 C ATOM 1064 SD MET A 72 -11.531 4.434 -1.058 1.00 0.00 S ATOM 1065 CE MET A 72 -12.882 3.733 -2.049 1.00 0.00 C ATOM 0 H MET A 72 -13.049 4.426 2.912 1.00 0.00 H new ATOM 0 HA MET A 72 -10.608 4.472 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.002 6.369 1.788 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.630 6.710 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.203 4.104 0.642 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.575 5.495 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.466 3.154 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.494 3.085 -1.422 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.498 4.540 -2.447 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.842 6.923 3.915 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.010 7.890 4.561 1.00 0.00 C ATOM 1077 C ALA A 73 -8.878 7.247 5.286 1.00 0.00 C ATOM 1078 O ALA A 73 -7.787 7.804 5.406 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.826 8.745 5.545 1.00 0.00 C ATOM 0 H ALA A 73 -11.793 6.881 4.281 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.601 8.530 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.171 9.473 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.616 9.267 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.270 8.102 6.305 1.00 0.00 H new ATOM 1234 N GLU A 83 6.175 3.653 -4.721 1.00 0.00 N ATOM 1235 CA GLU A 83 6.987 4.622 -5.390 1.00 0.00 C ATOM 1236 C GLU A 83 7.432 4.349 -6.785 1.00 0.00 C ATOM 1237 O GLU A 83 7.560 5.321 -7.528 1.00 0.00 O ATOM 1238 CB GLU A 83 8.135 5.081 -4.474 1.00 0.00 C ATOM 1239 CG GLU A 83 7.685 5.890 -3.256 1.00 0.00 C ATOM 1240 CD GLU A 83 6.935 7.156 -3.645 1.00 0.00 C ATOM 1241 OE1 GLU A 83 7.595 8.151 -4.046 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.680 7.225 -3.555 1.00 0.00 O ATOM 0 HA GLU A 83 6.292 5.441 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.683 4.203 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.831 5.683 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.045 5.270 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.557 6.157 -2.658 1.00 0.00 H new ATOM 1249 N GLU A 84 7.625 3.106 -7.262 1.00 0.00 N ATOM 1250 CA GLU A 84 8.080 2.779 -8.577 1.00 0.00 C ATOM 1251 C GLU A 84 7.003 3.006 -9.582 1.00 0.00 C ATOM 1252 O GLU A 84 7.160 3.679 -10.599 1.00 0.00 O ATOM 1253 CB GLU A 84 8.626 1.343 -8.658 1.00 0.00 C ATOM 1254 CG GLU A 84 9.892 1.189 -7.813 1.00 0.00 C ATOM 1255 CD GLU A 84 10.358 -0.253 -7.673 1.00 0.00 C ATOM 1256 OE1 GLU A 84 10.434 -1.044 -8.651 1.00 0.00 O ATOM 1257 OE2 GLU A 84 10.730 -0.695 -6.553 1.00 0.00 O ATOM 0 H GLU A 84 7.452 2.278 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 84 8.909 3.447 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.867 0.641 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.844 1.091 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.692 1.779 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.709 1.601 -6.821 1.00 0.00 H new ATOM 1264 N ILE A 85 5.815 2.466 -9.256 1.00 0.00 N ATOM 1265 CA ILE A 85 4.624 2.439 -10.047 1.00 0.00 C ATOM 1266 C ILE A 85 3.922 3.753 -10.028 1.00 0.00 C ATOM 1267 O ILE A 85 3.340 4.256 -10.988 1.00 0.00 O ATOM 1268 CB ILE A 85 3.670 1.330 -9.718 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.692 1.677 -8.582 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.379 -0.016 -9.491 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.913 0.477 -8.045 1.00 0.00 C ATOM 0 H ILE A 85 5.678 2.007 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 85 4.977 2.232 -11.057 1.00 0.00 H new ATOM 0 HB ILE A 85 3.053 1.210 -10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.249 2.132 -7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.985 2.425 -8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.640 -0.782 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.920 -0.299 -10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.080 0.077 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.246 0.804 -7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.327 0.034 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.610 -0.264 -7.654 1.00 0.00 H new ATOM 1283 N ARG A 86 4.077 4.525 -8.937 1.00 0.00 N ATOM 1284 CA ARG A 86 3.667 5.894 -8.991 1.00 0.00 C ATOM 1285 C ARG A 86 4.431 6.834 -9.859 1.00 0.00 C ATOM 1286 O ARG A 86 3.863 7.680 -10.547 1.00 0.00 O ATOM 1287 CB ARG A 86 3.662 6.447 -7.556 1.00 0.00 C ATOM 1288 CG ARG A 86 2.394 6.119 -6.764 1.00 0.00 C ATOM 1289 CD ARG A 86 2.490 6.521 -5.291 1.00 0.00 C ATOM 1290 NE ARG A 86 1.812 7.841 -5.151 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.609 8.946 -5.221 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.933 8.919 -4.887 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.161 10.228 -5.362 1.00 0.00 N ATOM 0 H ARG A 86 4.471 4.217 -8.048 1.00 0.00 H new ATOM 0 HA ARG A 86 2.688 5.853 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.524 6.049 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.783 7.530 -7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.545 6.629 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.197 5.049 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.013 5.774 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.532 6.588 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 86 0.804 7.914 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.362 8.049 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.493 9.769 -4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.160 10.415 -5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.827 10.999 -5.406 1.00 0.00 H new ATOM 1307 N GLU A 87 5.776 6.803 -9.885 1.00 0.00 N ATOM 1308 CA GLU A 87 6.513 7.606 -10.811 1.00 0.00 C ATOM 1309 C GLU A 87 6.419 7.090 -12.205 1.00 0.00 C ATOM 1310 O GLU A 87 6.349 7.879 -13.146 1.00 0.00 O ATOM 1311 CB GLU A 87 7.991 7.672 -10.392 1.00 0.00 C ATOM 1312 CG GLU A 87 8.886 8.654 -11.150 1.00 0.00 C ATOM 1313 CD GLU A 87 10.041 9.115 -10.272 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.955 8.258 -10.137 1.00 0.00 O ATOM 1315 OE2 GLU A 87 9.922 10.189 -9.624 1.00 0.00 O ATOM 0 H GLU A 87 6.350 6.226 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 87 6.072 8.603 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.031 7.926 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.418 6.675 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.274 8.179 -12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.300 9.515 -11.471 1.00 0.00 H new ATOM 1322 N ALA A 88 6.133 5.808 -12.498 1.00 0.00 N ATOM 1323 CA ALA A 88 5.827 5.334 -13.812 1.00 0.00 C ATOM 1324 C ALA A 88 4.549 5.898 -14.332 1.00 0.00 C ATOM 1325 O ALA A 88 4.466 6.387 -15.457 1.00 0.00 O ATOM 1326 CB ALA A 88 5.521 3.831 -13.699 1.00 0.00 C ATOM 0 H ALA A 88 6.114 5.073 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 88 6.667 5.601 -14.454 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.282 3.433 -14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.392 3.311 -13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.672 3.682 -13.032 1.00 0.00 H new ATOM 1332 N PHE A 89 3.458 5.838 -13.549 1.00 0.00 N ATOM 1333 CA PHE A 89 2.228 6.546 -13.723 1.00 0.00 C ATOM 1334 C PHE A 89 2.376 7.992 -14.049 1.00 0.00 C ATOM 1335 O PHE A 89 1.808 8.489 -15.020 1.00 0.00 O ATOM 1336 CB PHE A 89 1.247 6.248 -12.576 1.00 0.00 C ATOM 1337 CG PHE A 89 -0.176 6.545 -12.903 1.00 0.00 C ATOM 1338 CD1 PHE A 89 -0.698 7.813 -13.005 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -0.978 5.541 -13.393 1.00 0.00 C ATOM 1340 CE1 PHE A 89 -1.951 8.108 -13.487 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -2.222 5.807 -13.915 1.00 0.00 C ATOM 1342 CZ PHE A 89 -2.721 7.086 -13.990 1.00 0.00 C ATOM 0 H PHE A 89 3.436 5.241 -12.722 1.00 0.00 H new ATOM 0 HA PHE A 89 1.776 6.151 -14.633 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.334 5.197 -12.301 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.538 6.831 -11.702 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.079 8.637 -12.683 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.623 4.521 -13.367 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.323 9.122 -13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.825 4.987 -14.277 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.688 7.282 -14.430 1.00 0.00 H new ATOM 1352 N ARG A 90 3.128 8.662 -13.157 1.00 0.00 N ATOM 1353 CA ARG A 90 3.381 10.052 -13.380 1.00 0.00 C ATOM 1354 C ARG A 90 4.144 10.416 -14.607 1.00 0.00 C ATOM 1355 O ARG A 90 3.874 11.431 -15.248 1.00 0.00 O ATOM 1356 CB ARG A 90 4.169 10.616 -12.185 1.00 0.00 C ATOM 1357 CG ARG A 90 4.515 12.107 -12.189 1.00 0.00 C ATOM 1358 CD ARG A 90 3.268 12.976 -12.013 1.00 0.00 C ATOM 1359 NE ARG A 90 2.925 13.580 -13.331 1.00 0.00 N ATOM 1360 CZ ARG A 90 2.920 14.904 -13.661 1.00 0.00 C ATOM 1361 NH1 ARG A 90 2.970 15.880 -12.709 1.00 0.00 N ATOM 1362 NH2 ARG A 90 3.083 15.292 -14.960 1.00 0.00 N ATOM 0 H ARG A 90 3.545 8.263 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 90 2.385 10.476 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.597 10.409 -11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.102 10.057 -12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.223 12.319 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.009 12.364 -13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.437 12.376 -11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.451 13.756 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 90 2.664 12.929 -14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.012 15.628 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.965 16.862 -12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.209 14.591 -15.690 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.078 16.283 -15.201 1.00 0.00 H new ATOM 1376 N VAL A 91 5.043 9.505 -15.019 1.00 0.00 N ATOM 1377 CA VAL A 91 5.660 9.613 -16.305 1.00 0.00 C ATOM 1378 C VAL A 91 4.745 9.572 -17.480 1.00 0.00 C ATOM 1379 O VAL A 91 4.915 10.272 -18.477 1.00 0.00 O ATOM 1380 CB VAL A 91 6.768 8.603 -16.333 1.00 0.00 C ATOM 1381 CG1 VAL A 91 6.984 8.033 -17.745 1.00 0.00 C ATOM 1382 CG2 VAL A 91 8.093 9.266 -15.920 1.00 0.00 C ATOM 0 H VAL A 91 5.341 8.700 -14.468 1.00 0.00 H new ATOM 0 HA VAL A 91 6.058 10.621 -16.424 1.00 0.00 H new ATOM 0 HB VAL A 91 6.482 7.805 -15.647 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.795 7.305 -17.723 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.069 7.547 -18.085 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.241 8.842 -18.429 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.893 8.526 -15.943 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.327 10.074 -16.613 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.000 9.668 -14.911 1.00 0.00 H new ATOM 1392 N PHE A 92 3.673 8.761 -17.437 1.00 0.00 N ATOM 1393 CA PHE A 92 2.658 8.718 -18.443 1.00 0.00 C ATOM 1394 C PHE A 92 1.691 9.849 -18.369 1.00 0.00 C ATOM 1395 O PHE A 92 1.403 10.498 -19.373 1.00 0.00 O ATOM 1396 CB PHE A 92 1.845 7.413 -18.466 1.00 0.00 C ATOM 1397 CG PHE A 92 2.662 6.289 -19.003 1.00 0.00 C ATOM 1398 CD1 PHE A 92 2.968 6.188 -20.340 1.00 0.00 C ATOM 1399 CD2 PHE A 92 3.228 5.374 -18.146 1.00 0.00 C ATOM 1400 CE1 PHE A 92 3.781 5.187 -20.818 1.00 0.00 C ATOM 1401 CE2 PHE A 92 4.074 4.390 -18.602 1.00 0.00 C ATOM 1402 CZ PHE A 92 4.392 4.325 -19.938 1.00 0.00 C ATOM 0 H PHE A 92 3.507 8.109 -16.670 1.00 0.00 H new ATOM 0 HA PHE A 92 3.240 8.792 -19.362 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.506 7.173 -17.458 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.954 7.546 -19.079 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.560 6.911 -21.031 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.003 5.429 -17.091 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.939 5.078 -21.881 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.488 3.670 -17.912 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.114 3.604 -20.293 1.00 0.00 H new ATOM 1412 N ASP A 93 1.160 10.218 -17.189 1.00 0.00 N ATOM 1413 CA ASP A 93 0.374 11.385 -16.935 1.00 0.00 C ATOM 1414 C ASP A 93 1.094 12.677 -17.114 1.00 0.00 C ATOM 1415 O ASP A 93 1.924 13.114 -16.318 1.00 0.00 O ATOM 1416 CB ASP A 93 -0.205 11.188 -15.524 1.00 0.00 C ATOM 1417 CG ASP A 93 -1.484 11.977 -15.278 1.00 0.00 C ATOM 1418 OD1 ASP A 93 -2.070 12.519 -16.253 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -1.896 12.055 -14.090 1.00 0.00 O ATOM 0 H ASP A 93 1.292 9.655 -16.349 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.416 11.478 -17.681 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.405 10.128 -15.366 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.543 11.484 -14.788 1.00 0.00 H new ATOM 1424 N LYS A 94 0.930 13.356 -18.264 1.00 0.00 N ATOM 1425 CA LYS A 94 1.667 14.544 -18.562 1.00 0.00 C ATOM 1426 C LYS A 94 1.171 15.799 -17.929 1.00 0.00 C ATOM 1427 O LYS A 94 2.028 16.574 -17.509 1.00 0.00 O ATOM 1428 CB LYS A 94 1.659 14.732 -20.089 1.00 0.00 C ATOM 1429 CG LYS A 94 2.450 15.964 -20.534 1.00 0.00 C ATOM 1430 CD LYS A 94 3.963 15.858 -20.331 1.00 0.00 C ATOM 1431 CE LYS A 94 4.803 16.749 -21.248 1.00 0.00 C ATOM 1432 NZ LYS A 94 4.796 18.169 -20.830 1.00 0.00 N ATOM 0 H LYS A 94 0.277 13.076 -18.996 1.00 0.00 H new ATOM 0 HA LYS A 94 2.661 14.389 -18.143 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.079 13.845 -20.563 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.629 14.821 -20.435 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.250 16.146 -21.590 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.083 16.832 -19.986 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.194 16.108 -19.296 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.263 14.821 -20.483 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.830 16.384 -21.261 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.425 16.673 -22.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.380 18.727 -21.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.821 18.530 -20.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.182 18.250 -19.868 1.00 0.00 H new ATOM 1446 N ASP A 95 -0.137 16.082 -17.788 1.00 0.00 N ATOM 1447 CA ASP A 95 -0.773 17.154 -17.087 1.00 0.00 C ATOM 1448 C ASP A 95 -0.695 16.874 -15.626 1.00 0.00 C ATOM 1449 O ASP A 95 -0.222 17.711 -14.859 1.00 0.00 O ATOM 1450 CB ASP A 95 -2.206 17.515 -17.514 1.00 0.00 C ATOM 1451 CG ASP A 95 -3.142 16.315 -17.537 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -2.789 15.108 -17.460 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -4.337 16.707 -17.627 1.00 0.00 O ATOM 0 H ASP A 95 -0.834 15.478 -18.224 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.218 18.052 -17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.604 18.266 -16.831 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.180 17.967 -18.505 1.00 0.00 H new ATOM 1458 N GLY A 96 -1.221 15.703 -15.225 1.00 0.00 N ATOM 1459 CA GLY A 96 -1.224 15.329 -13.844 1.00 0.00 C ATOM 1460 C GLY A 96 -2.579 15.304 -13.225 1.00 0.00 C ATOM 1461 O GLY A 96 -2.859 15.998 -12.250 1.00 0.00 O ATOM 0 H GLY A 96 -1.642 15.018 -15.853 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.772 14.342 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.595 16.025 -13.289 1.00 0.00 H new ATOM 1465 N ASN A 97 -3.476 14.468 -13.777 1.00 0.00 N ATOM 1466 CA ASN A 97 -4.827 14.316 -13.333 1.00 0.00 C ATOM 1467 C ASN A 97 -5.187 12.988 -12.761 1.00 0.00 C ATOM 1468 O ASN A 97 -6.300 12.809 -12.269 1.00 0.00 O ATOM 1469 CB ASN A 97 -5.952 14.726 -14.299 1.00 0.00 C ATOM 1470 CG ASN A 97 -6.051 14.023 -15.645 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -5.369 13.076 -16.034 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -7.026 14.521 -16.451 1.00 0.00 N ATOM 0 H ASN A 97 -3.248 13.869 -14.571 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.787 15.060 -12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.901 14.584 -13.781 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.850 15.794 -14.491 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.187 14.110 -17.370 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.596 15.306 -16.136 1.00 0.00 H new ATOM 1479 N GLY A 98 -4.369 11.922 -12.834 1.00 0.00 N ATOM 1480 CA GLY A 98 -4.661 10.612 -12.341 1.00 0.00 C ATOM 1481 C GLY A 98 -5.209 9.631 -13.320 1.00 0.00 C ATOM 1482 O GLY A 98 -5.623 8.508 -13.038 1.00 0.00 O ATOM 0 H GLY A 98 -3.446 11.980 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.746 10.196 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.374 10.709 -11.522 1.00 0.00 H new ATOM 1486 N TYR A 99 -5.183 10.055 -14.596 1.00 0.00 N ATOM 1487 CA TYR A 99 -5.580 9.257 -15.714 1.00 0.00 C ATOM 1488 C TYR A 99 -4.618 9.572 -16.807 1.00 0.00 C ATOM 1489 O TYR A 99 -4.066 10.664 -16.930 1.00 0.00 O ATOM 1490 CB TYR A 99 -6.957 9.730 -16.210 1.00 0.00 C ATOM 1491 CG TYR A 99 -8.032 9.660 -15.180 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -8.168 10.767 -14.375 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -8.886 8.589 -15.062 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -9.023 10.687 -13.301 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -9.782 8.569 -14.019 1.00 0.00 C ATOM 1496 CZ TYR A 99 -9.827 9.590 -13.099 1.00 0.00 C ATOM 1497 OH TYR A 99 -10.620 9.538 -11.933 1.00 0.00 O ATOM 0 H TYR A 99 -4.873 10.991 -14.859 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.608 8.201 -15.445 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -6.871 10.758 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.250 9.124 -17.067 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.619 11.674 -14.581 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.854 7.779 -15.775 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.064 11.506 -12.599 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.463 7.736 -13.921 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.137 8.705 -11.926 1.00 0.00 H new ATOM 1507 N ILE A 100 -4.482 8.569 -17.693 1.00 0.00 N ATOM 1508 CA ILE A 100 -3.677 8.569 -18.874 1.00 0.00 C ATOM 1509 C ILE A 100 -4.600 8.505 -20.042 1.00 0.00 C ATOM 1510 O ILE A 100 -5.187 7.451 -20.282 1.00 0.00 O ATOM 1511 CB ILE A 100 -2.805 7.349 -18.891 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -1.856 7.451 -17.685 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -1.999 7.367 -20.201 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -1.377 6.073 -17.233 1.00 0.00 C ATOM 0 H ILE A 100 -4.977 7.686 -17.571 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.051 9.461 -18.906 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.384 6.427 -18.833 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.997 8.068 -17.948 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.366 7.949 -16.860 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.353 6.490 -20.243 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.683 7.355 -21.049 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.388 8.269 -20.240 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.708 6.182 -16.379 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.235 5.465 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.845 5.587 -18.051 1.00 0.00 H new ATOM 1526 N SER A 101 -4.559 9.493 -20.954 1.00 0.00 N ATOM 1527 CA SER A 101 -5.102 9.262 -22.256 1.00 0.00 C ATOM 1528 C SER A 101 -4.211 8.470 -23.149 1.00 0.00 C ATOM 1529 O SER A 101 -2.993 8.404 -22.984 1.00 0.00 O ATOM 1530 CB SER A 101 -5.657 10.515 -22.955 1.00 0.00 C ATOM 1531 OG SER A 101 -4.706 11.518 -23.282 1.00 0.00 O ATOM 0 H SER A 101 -4.165 10.421 -20.799 1.00 0.00 H new ATOM 0 HA SER A 101 -5.971 8.636 -22.054 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.157 10.204 -23.872 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.417 10.959 -22.312 1.00 0.00 H new ATOM 0 HG SER A 101 -5.159 12.267 -23.722 1.00 0.00 H new ATOM 1537 N ALA A 102 -4.773 7.871 -24.214 1.00 0.00 N ATOM 1538 CA ALA A 102 -3.983 7.399 -25.308 1.00 0.00 C ATOM 1539 C ALA A 102 -3.052 8.417 -25.872 1.00 0.00 C ATOM 1540 O ALA A 102 -1.900 8.048 -26.096 1.00 0.00 O ATOM 1541 CB ALA A 102 -4.951 6.790 -26.336 1.00 0.00 C ATOM 0 H ALA A 102 -5.775 7.713 -24.317 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.291 6.633 -24.958 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.387 6.416 -27.190 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.500 5.968 -25.876 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.653 7.553 -26.671 1.00 0.00 H new ATOM 1547 N ALA A 103 -3.402 9.692 -26.116 1.00 0.00 N ATOM 1548 CA ALA A 103 -2.467 10.727 -26.434 1.00 0.00 C ATOM 1549 C ALA A 103 -1.266 10.932 -25.576 1.00 0.00 C ATOM 1550 O ALA A 103 -0.135 11.101 -26.029 1.00 0.00 O ATOM 1551 CB ALA A 103 -3.254 12.049 -26.424 1.00 0.00 C ATOM 0 H ALA A 103 -4.369 10.014 -26.091 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.043 10.404 -27.385 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.583 12.874 -26.662 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.051 12.004 -27.167 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.687 12.207 -25.436 1.00 0.00 H new ATOM 1557 N GLU A 104 -1.388 10.867 -24.238 1.00 0.00 N ATOM 1558 CA GLU A 104 -0.266 10.988 -23.361 1.00 0.00 C ATOM 1559 C GLU A 104 0.521 9.723 -23.403 1.00 0.00 C ATOM 1560 O GLU A 104 1.746 9.733 -23.290 1.00 0.00 O ATOM 1561 CB GLU A 104 -0.872 11.163 -21.958 1.00 0.00 C ATOM 1562 CG GLU A 104 -1.769 12.397 -21.834 1.00 0.00 C ATOM 1563 CD GLU A 104 -2.147 12.669 -20.385 1.00 0.00 C ATOM 1564 OE1 GLU A 104 -2.978 11.880 -19.862 1.00 0.00 O ATOM 1565 OE2 GLU A 104 -1.833 13.736 -19.793 1.00 0.00 O ATOM 0 H GLU A 104 -2.278 10.729 -23.759 1.00 0.00 H new ATOM 0 HA GLU A 104 0.390 11.814 -23.634 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.452 10.275 -21.707 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.066 11.234 -21.228 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.254 13.265 -22.246 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.673 12.252 -22.426 1.00 0.00 H new ATOM 1572 N LEU A 105 -0.079 8.541 -23.630 1.00 0.00 N ATOM 1573 CA LEU A 105 0.709 7.374 -23.877 1.00 0.00 C ATOM 1574 C LEU A 105 1.479 7.453 -25.151 1.00 0.00 C ATOM 1575 O LEU A 105 2.610 6.986 -25.273 1.00 0.00 O ATOM 1576 CB LEU A 105 -0.076 6.057 -23.750 1.00 0.00 C ATOM 1577 CG LEU A 105 0.761 4.794 -23.487 1.00 0.00 C ATOM 1578 CD1 LEU A 105 0.402 4.375 -22.051 1.00 0.00 C ATOM 1579 CD2 LEU A 105 0.416 3.692 -24.503 1.00 0.00 C ATOM 0 H LEU A 105 -1.088 8.394 -23.643 1.00 0.00 H new ATOM 0 HA LEU A 105 1.442 7.356 -23.071 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.798 6.165 -22.941 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.645 5.907 -24.667 1.00 0.00 H new ATOM 0 HG LEU A 105 1.831 4.973 -23.596 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.959 3.477 -21.784 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.659 5.180 -21.362 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.667 4.171 -21.988 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.019 2.807 -24.299 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.641 3.438 -24.419 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.625 4.049 -25.512 1.00 0.00 H new ATOM 1591 N ARG A 106 0.901 8.144 -26.150 1.00 0.00 N ATOM 1592 CA ARG A 106 1.556 8.416 -27.391 1.00 0.00 C ATOM 1593 C ARG A 106 2.759 9.286 -27.259 1.00 0.00 C ATOM 1594 O ARG A 106 3.914 8.913 -27.458 1.00 0.00 O ATOM 1595 CB ARG A 106 0.581 8.910 -28.474 1.00 0.00 C ATOM 1596 CG ARG A 106 1.100 8.714 -29.900 1.00 0.00 C ATOM 1597 CD ARG A 106 0.200 9.180 -31.047 1.00 0.00 C ATOM 1598 NE ARG A 106 0.200 10.662 -31.194 1.00 0.00 N ATOM 1599 CZ ARG A 106 -0.685 11.384 -31.942 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -1.778 10.765 -32.475 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -0.535 12.719 -32.185 1.00 0.00 N ATOM 0 H ARG A 106 -0.044 8.523 -26.093 1.00 0.00 H new ATOM 0 HA ARG A 106 1.939 7.454 -27.732 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.367 8.383 -28.366 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.377 9.969 -28.312 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.053 9.236 -29.986 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.304 7.653 -30.041 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.536 8.724 -31.978 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.819 8.834 -30.871 1.00 0.00 H new ATOM 0 HE ARG A 106 0.922 11.181 -30.694 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.930 9.769 -32.314 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.443 11.298 -33.035 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.266 13.220 -31.801 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.224 13.215 -32.751 1.00 0.00 H new ATOM 1615 N HIS A 107 2.482 10.515 -26.789 1.00 0.00 N ATOM 1616 CA HIS A 107 3.397 11.552 -26.424 1.00 0.00 C ATOM 1617 C HIS A 107 4.539 11.039 -25.616 1.00 0.00 C ATOM 1618 O HIS A 107 5.708 11.345 -25.845 1.00 0.00 O ATOM 1619 CB HIS A 107 2.686 12.711 -25.705 1.00 0.00 C ATOM 1620 CG HIS A 107 3.501 13.965 -25.596 1.00 0.00 C ATOM 1621 ND1 HIS A 107 3.862 14.702 -26.706 1.00 0.00 N ATOM 1622 CD2 HIS A 107 4.037 14.606 -24.524 1.00 0.00 C ATOM 1623 CE1 HIS A 107 4.525 15.805 -26.265 1.00 0.00 C ATOM 1624 NE2 HIS A 107 4.653 15.765 -24.951 1.00 0.00 N ATOM 0 H HIS A 107 1.515 10.810 -26.651 1.00 0.00 H new ATOM 0 HA HIS A 107 3.811 11.941 -27.354 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.761 12.938 -26.235 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.408 12.385 -24.703 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.989 14.263 -23.501 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.893 16.599 -26.898 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.118 16.458 -24.364 1.00 0.00 H new ATOM 1632 N VAL A 108 4.308 10.227 -24.569 1.00 0.00 N ATOM 1633 CA VAL A 108 5.366 9.882 -23.671 1.00 0.00 C ATOM 1634 C VAL A 108 6.163 8.803 -24.320 1.00 0.00 C ATOM 1635 O VAL A 108 7.385 8.841 -24.187 1.00 0.00 O ATOM 1636 CB VAL A 108 4.790 9.421 -22.365 1.00 0.00 C ATOM 1637 CG1 VAL A 108 5.829 8.695 -21.493 1.00 0.00 C ATOM 1638 CG2 VAL A 108 4.494 10.780 -21.709 1.00 0.00 C ATOM 0 H VAL A 108 3.402 9.814 -24.346 1.00 0.00 H new ATOM 0 HA VAL A 108 6.005 10.740 -23.462 1.00 0.00 H new ATOM 0 HB VAL A 108 3.956 8.729 -22.483 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.364 8.381 -20.559 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.203 7.820 -22.025 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.658 9.369 -21.277 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.058 10.621 -20.723 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.421 11.345 -21.609 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.793 11.339 -22.329 1.00 0.00 H new ATOM 1648 N MET A 109 5.600 7.849 -25.083 1.00 0.00 N ATOM 1649 CA MET A 109 6.349 6.746 -25.600 1.00 0.00 C ATOM 1650 C MET A 109 7.279 7.184 -26.678 1.00 0.00 C ATOM 1651 O MET A 109 8.340 6.581 -26.837 1.00 0.00 O ATOM 1652 CB MET A 109 5.496 5.588 -26.146 1.00 0.00 C ATOM 1653 CG MET A 109 4.814 4.756 -25.059 1.00 0.00 C ATOM 1654 SD MET A 109 6.025 3.849 -24.051 1.00 0.00 S ATOM 1655 CE MET A 109 5.343 2.179 -24.258 1.00 0.00 C ATOM 0 H MET A 109 4.614 7.843 -25.344 1.00 0.00 H new ATOM 0 HA MET A 109 6.896 6.369 -24.736 1.00 0.00 H new ATOM 0 HB2 MET A 109 4.734 5.993 -26.812 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.129 4.935 -26.747 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.222 5.409 -24.418 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.123 4.051 -25.520 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.866 1.488 -23.597 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.282 2.186 -24.010 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.472 1.859 -25.292 1.00 0.00 H new ATOM 1665 N THR A 110 6.956 8.253 -27.428 1.00 0.00 N ATOM 1666 CA THR A 110 7.852 8.805 -28.395 1.00 0.00 C ATOM 1667 C THR A 110 8.805 9.759 -27.760 1.00 0.00 C ATOM 1668 O THR A 110 9.880 9.953 -28.325 1.00 0.00 O ATOM 1669 CB THR A 110 7.202 9.546 -29.525 1.00 0.00 C ATOM 1670 OG1 THR A 110 6.470 10.724 -29.219 1.00 0.00 O ATOM 1671 CG2 THR A 110 6.303 8.543 -30.266 1.00 0.00 C ATOM 0 H THR A 110 6.062 8.740 -27.362 1.00 0.00 H new ATOM 0 HA THR A 110 8.347 7.925 -28.806 1.00 0.00 H new ATOM 0 HB THR A 110 8.024 9.937 -30.125 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.103 11.105 -30.044 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.809 9.043 -31.099 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.910 7.721 -30.645 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.551 8.153 -29.580 1.00 0.00 H new ATOM 1679 N ASN A 111 8.530 10.348 -26.583 1.00 0.00 N ATOM 1680 CA ASN A 111 9.497 11.124 -25.870 1.00 0.00 C ATOM 1681 C ASN A 111 10.608 10.289 -25.331 1.00 0.00 C ATOM 1682 O ASN A 111 11.776 10.677 -25.339 1.00 0.00 O ATOM 1683 CB ASN A 111 8.600 11.835 -24.842 1.00 0.00 C ATOM 1684 CG ASN A 111 9.425 12.987 -24.285 1.00 0.00 C ATOM 1685 OD1 ASN A 111 9.889 12.959 -23.146 1.00 0.00 O ATOM 1686 ND2 ASN A 111 9.545 13.997 -25.187 1.00 0.00 N ATOM 0 H ASN A 111 7.624 10.285 -26.119 1.00 0.00 H new ATOM 0 HA ASN A 111 10.070 11.838 -26.462 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.686 12.201 -25.310 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.300 11.151 -24.048 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.064 14.840 -24.942 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.116 13.911 -26.109 1.00 0.00 H new ATOM 1693 N LEU A 112 10.239 9.100 -24.824 1.00 0.00 N ATOM 1694 CA LEU A 112 11.217 8.118 -24.471 1.00 0.00 C ATOM 1695 C LEU A 112 11.992 7.524 -25.596 1.00 0.00 C ATOM 1696 O LEU A 112 13.197 7.286 -25.518 1.00 0.00 O ATOM 1697 CB LEU A 112 10.655 6.954 -23.638 1.00 0.00 C ATOM 1698 CG LEU A 112 9.882 7.382 -22.380 1.00 0.00 C ATOM 1699 CD1 LEU A 112 8.932 6.308 -21.824 1.00 0.00 C ATOM 1700 CD2 LEU A 112 10.880 7.868 -21.315 1.00 0.00 C ATOM 0 H LEU A 112 9.272 8.819 -24.659 1.00 0.00 H new ATOM 0 HA LEU A 112 11.900 8.724 -23.876 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.995 6.358 -24.269 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.480 6.307 -23.339 1.00 0.00 H new ATOM 0 HG LEU A 112 9.222 8.199 -22.671 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.427 6.692 -20.938 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.191 6.051 -22.581 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.504 5.419 -21.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.337 8.173 -20.420 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.567 7.060 -21.065 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.443 8.716 -21.704 1.00 0.00 H new ATOM 1712 N GLY A 113 11.373 7.231 -26.753 1.00 0.00 N ATOM 1713 CA GLY A 113 12.019 6.696 -27.911 1.00 0.00 C ATOM 1714 C GLY A 113 11.460 5.405 -28.401 1.00 0.00 C ATOM 1715 O GLY A 113 12.050 4.905 -29.357 1.00 0.00 O ATOM 0 H GLY A 113 10.372 7.374 -26.887 1.00 0.00 H new ATOM 0 HA2 GLY A 113 11.958 7.430 -28.715 1.00 0.00 H new ATOM 0 HA3 GLY A 113 13.076 6.556 -27.687 1.00 0.00 H new ATOM 1719 N GLU A 114 10.375 4.875 -27.808 1.00 0.00 N ATOM 1720 CA GLU A 114 9.666 3.724 -28.272 1.00 0.00 C ATOM 1721 C GLU A 114 8.868 4.100 -29.473 1.00 0.00 C ATOM 1722 O GLU A 114 7.920 4.883 -29.450 1.00 0.00 O ATOM 1723 CB GLU A 114 8.882 3.032 -27.144 1.00 0.00 C ATOM 1724 CG GLU A 114 8.336 1.721 -27.714 1.00 0.00 C ATOM 1725 CD GLU A 114 9.432 0.749 -28.128 1.00 0.00 C ATOM 1726 OE1 GLU A 114 10.155 0.251 -27.224 1.00 0.00 O ATOM 1727 OE2 GLU A 114 9.593 0.462 -29.344 1.00 0.00 O ATOM 0 H GLU A 114 9.972 5.272 -26.959 1.00 0.00 H new ATOM 0 HA GLU A 114 10.364 2.951 -28.593 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.528 2.840 -26.287 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.069 3.668 -26.794 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.699 1.245 -26.969 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.708 1.941 -28.577 1.00 0.00 H new ATOM 1734 N LYS A 115 9.182 3.558 -30.663 1.00 0.00 N ATOM 1735 CA LYS A 115 8.506 4.086 -31.807 1.00 0.00 C ATOM 1736 C LYS A 115 7.261 3.313 -32.079 1.00 0.00 C ATOM 1737 O LYS A 115 7.146 2.452 -32.950 1.00 0.00 O ATOM 1738 CB LYS A 115 9.466 3.944 -33.000 1.00 0.00 C ATOM 1739 CG LYS A 115 10.650 4.912 -32.961 1.00 0.00 C ATOM 1740 CD LYS A 115 11.591 4.618 -34.132 1.00 0.00 C ATOM 1741 CE LYS A 115 12.530 3.447 -33.837 1.00 0.00 C ATOM 1742 NZ LYS A 115 13.539 3.241 -34.900 1.00 0.00 N ATOM 0 H LYS A 115 9.853 2.809 -30.831 1.00 0.00 H new ATOM 0 HA LYS A 115 8.228 5.127 -31.639 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.845 2.922 -33.029 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.909 4.104 -33.923 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.294 5.941 -33.017 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.185 4.811 -32.017 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.003 4.395 -35.022 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.181 5.507 -34.355 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.038 3.624 -32.889 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.942 2.537 -33.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.148 2.436 -34.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.059 3.044 -35.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.120 4.098 -34.998 1.00 0.00 H new ATOM 1756 N LEU A 116 6.155 3.732 -31.439 1.00 0.00 N ATOM 1757 CA LEU A 116 4.844 3.191 -31.629 1.00 0.00 C ATOM 1758 C LEU A 116 4.009 3.977 -32.581 1.00 0.00 C ATOM 1759 O LEU A 116 4.062 5.203 -32.659 1.00 0.00 O ATOM 1760 CB LEU A 116 4.114 3.242 -30.277 1.00 0.00 C ATOM 1761 CG LEU A 116 4.666 2.470 -29.067 1.00 0.00 C ATOM 1762 CD1 LEU A 116 3.594 2.487 -27.964 1.00 0.00 C ATOM 1763 CD2 LEU A 116 5.108 1.026 -29.361 1.00 0.00 C ATOM 0 H LEU A 116 6.176 4.487 -30.754 1.00 0.00 H new ATOM 0 HA LEU A 116 4.971 2.185 -32.029 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.045 4.290 -29.987 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.096 2.891 -30.447 1.00 0.00 H new ATOM 0 HG LEU A 116 5.580 2.976 -28.757 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.960 1.945 -27.092 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.375 3.518 -27.685 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.686 2.010 -28.332 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.482 0.566 -28.446 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.258 0.454 -29.734 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.898 1.033 -30.112 1.00 0.00 H new ATOM 1775 N THR A 117 3.151 3.308 -33.371 1.00 0.00 N ATOM 1776 CA THR A 117 2.074 3.890 -34.111 1.00 0.00 C ATOM 1777 C THR A 117 0.947 4.098 -33.158 1.00 0.00 C ATOM 1778 O THR A 117 0.869 3.552 -32.059 1.00 0.00 O ATOM 1779 CB THR A 117 1.551 3.037 -35.228 1.00 0.00 C ATOM 1780 OG1 THR A 117 1.197 1.769 -34.697 1.00 0.00 O ATOM 1781 CG2 THR A 117 2.593 2.836 -36.342 1.00 0.00 C ATOM 0 H THR A 117 3.213 2.298 -33.501 1.00 0.00 H new ATOM 0 HA THR A 117 2.459 4.805 -34.562 1.00 0.00 H new ATOM 0 HB THR A 117 0.690 3.542 -35.666 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.851 1.199 -35.415 1.00 0.00 H new ATOM 0 HG21 THR A 117 2.169 2.212 -37.129 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.872 3.804 -36.758 1.00 0.00 H new ATOM 0 HG23 THR A 117 3.477 2.349 -35.930 1.00 0.00 H new ATOM 1789 N ASP A 118 0.020 4.969 -33.595 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.251 5.140 -32.961 1.00 0.00 C ATOM 1791 C ASP A 118 -2.039 3.897 -32.728 1.00 0.00 C ATOM 1792 O ASP A 118 -2.770 3.693 -31.760 1.00 0.00 O ATOM 1793 CB ASP A 118 -2.152 6.044 -33.819 1.00 0.00 C ATOM 1794 CG ASP A 118 -1.660 7.483 -33.879 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -0.786 7.850 -34.710 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -2.278 8.333 -33.185 1.00 0.00 O ATOM 0 H ASP A 118 0.157 5.569 -34.408 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.991 5.561 -31.990 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.205 5.641 -34.830 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.164 6.028 -33.416 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.944 2.971 -33.699 1.00 0.00 N ATOM 1802 CA GLU A 119 -2.578 1.693 -33.603 1.00 0.00 C ATOM 1803 C GLU A 119 -1.945 0.816 -32.579 1.00 0.00 C ATOM 1804 O GLU A 119 -2.692 0.081 -31.934 1.00 0.00 O ATOM 1805 CB GLU A 119 -2.666 0.839 -34.879 1.00 0.00 C ATOM 1806 CG GLU A 119 -3.127 1.630 -36.105 1.00 0.00 C ATOM 1807 CD GLU A 119 -3.306 0.982 -37.471 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.955 -0.081 -37.660 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.874 1.746 -38.375 1.00 0.00 O ATOM 0 H GLU A 119 -1.420 3.111 -34.563 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.589 2.005 -33.342 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.689 0.402 -35.084 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.356 0.012 -34.708 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.085 2.081 -35.845 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.416 2.446 -36.236 1.00 0.00 H new ATOM 1816 N GLU A 120 -0.622 0.842 -32.340 1.00 0.00 N ATOM 1817 CA GLU A 120 0.103 0.164 -31.311 1.00 0.00 C ATOM 1818 C GLU A 120 -0.210 0.779 -29.991 1.00 0.00 C ATOM 1819 O GLU A 120 -0.407 0.090 -28.991 1.00 0.00 O ATOM 1820 CB GLU A 120 1.616 0.265 -31.570 1.00 0.00 C ATOM 1821 CG GLU A 120 2.050 -0.706 -32.670 1.00 0.00 C ATOM 1822 CD GLU A 120 3.484 -0.465 -33.118 1.00 0.00 C ATOM 1823 OE1 GLU A 120 3.746 0.692 -33.543 1.00 0.00 O ATOM 1824 OE2 GLU A 120 4.357 -1.364 -32.983 1.00 0.00 O ATOM 0 H GLU A 120 0.001 1.395 -32.929 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.190 -0.886 -31.309 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.872 1.285 -31.858 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.161 0.047 -30.652 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.952 -1.729 -32.308 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.382 -0.605 -33.526 1.00 0.00 H new ATOM 1831 N VAL A 121 -0.361 2.110 -29.870 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.902 2.787 -28.732 1.00 0.00 C ATOM 1833 C VAL A 121 -2.283 2.357 -28.375 1.00 0.00 C ATOM 1834 O VAL A 121 -2.515 1.982 -27.227 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.871 4.280 -28.872 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -1.492 5.013 -27.671 1.00 0.00 C ATOM 1837 CG2 VAL A 121 0.573 4.808 -28.916 1.00 0.00 C ATOM 0 H VAL A 121 -0.088 2.753 -30.613 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.240 2.494 -27.917 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.429 4.470 -29.789 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.438 6.089 -27.834 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.534 4.714 -27.562 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.944 4.756 -26.765 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.561 5.893 -29.018 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.088 4.536 -27.995 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.095 4.370 -29.767 1.00 0.00 H new ATOM 1847 N ASP A 122 -3.176 2.154 -29.360 1.00 0.00 N ATOM 1848 CA ASP A 122 -4.530 1.748 -29.145 1.00 0.00 C ATOM 1849 C ASP A 122 -4.712 0.328 -28.732 1.00 0.00 C ATOM 1850 O ASP A 122 -5.653 -0.004 -28.012 1.00 0.00 O ATOM 1851 CB ASP A 122 -5.324 1.968 -30.444 1.00 0.00 C ATOM 1852 CG ASP A 122 -6.831 1.838 -30.274 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -7.342 2.543 -29.364 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -7.408 0.937 -30.940 1.00 0.00 O ATOM 0 H ASP A 122 -2.945 2.278 -30.346 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.887 2.357 -28.314 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.096 2.960 -30.834 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.989 1.247 -31.190 1.00 0.00 H new ATOM 1859 N GLU A 123 -3.761 -0.543 -29.115 1.00 0.00 N ATOM 1860 CA GLU A 123 -3.666 -1.856 -28.557 1.00 0.00 C ATOM 1861 C GLU A 123 -3.416 -1.839 -27.088 1.00 0.00 C ATOM 1862 O GLU A 123 -4.075 -2.601 -26.382 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.551 -2.578 -29.333 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.325 -3.956 -28.709 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.421 -4.725 -29.662 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -1.726 -4.895 -30.872 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -0.349 -5.127 -29.137 1.00 0.00 O ATOM 0 H GLU A 123 -3.052 -0.335 -29.818 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.614 -2.384 -28.661 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.828 -2.680 -30.382 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.631 -1.994 -29.301 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.863 -3.865 -27.726 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -3.272 -4.477 -28.569 1.00 0.00 H new ATOM 1874 N MET A 124 -2.529 -0.901 -26.712 1.00 0.00 N ATOM 1875 CA MET A 124 -2.088 -0.759 -25.360 1.00 0.00 C ATOM 1876 C MET A 124 -3.177 -0.299 -24.452 1.00 0.00 C ATOM 1877 O MET A 124 -3.612 -0.973 -23.521 1.00 0.00 O ATOM 1878 CB MET A 124 -0.777 0.001 -25.093 1.00 0.00 C ATOM 1879 CG MET A 124 0.397 -0.745 -25.729 1.00 0.00 C ATOM 1880 SD MET A 124 1.988 0.127 -25.617 1.00 0.00 S ATOM 1881 CE MET A 124 2.876 -1.231 -26.432 1.00 0.00 C ATOM 0 H MET A 124 -2.111 -0.230 -27.357 1.00 0.00 H new ATOM 0 HA MET A 124 -1.815 -1.787 -25.121 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.842 1.010 -25.501 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.617 0.101 -24.019 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.496 -1.719 -25.250 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.170 -0.928 -26.779 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.933 -0.978 -26.513 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.765 -2.143 -25.845 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.464 -1.389 -27.429 1.00 0.00 H new ATOM 1891 N ILE A 125 -3.906 0.758 -24.855 1.00 0.00 N ATOM 1892 CA ILE A 125 -5.041 1.246 -24.136 1.00 0.00 C ATOM 1893 C ILE A 125 -6.187 0.295 -24.105 1.00 0.00 C ATOM 1894 O ILE A 125 -6.943 0.159 -23.144 1.00 0.00 O ATOM 1895 CB ILE A 125 -5.451 2.572 -24.707 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -4.258 3.539 -24.778 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -6.612 3.227 -23.941 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -3.856 4.078 -23.405 1.00 0.00 C ATOM 0 H ILE A 125 -3.700 1.286 -25.703 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.741 1.362 -23.095 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.807 2.364 -25.716 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.407 3.027 -25.227 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.510 4.374 -25.432 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.860 4.182 -24.404 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.483 2.572 -23.971 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.317 3.392 -22.905 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.009 4.756 -23.514 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.696 4.615 -22.965 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.576 3.248 -22.756 1.00 0.00 H new ATOM 1910 N ARG A 126 -6.332 -0.462 -25.207 1.00 0.00 N ATOM 1911 CA ARG A 126 -7.369 -1.442 -25.295 1.00 0.00 C ATOM 1912 C ARG A 126 -7.036 -2.602 -24.420 1.00 0.00 C ATOM 1913 O ARG A 126 -7.927 -3.141 -23.766 1.00 0.00 O ATOM 1914 CB ARG A 126 -7.583 -1.998 -26.713 1.00 0.00 C ATOM 1915 CG ARG A 126 -8.812 -2.890 -26.902 1.00 0.00 C ATOM 1916 CD ARG A 126 -8.904 -3.627 -28.240 1.00 0.00 C ATOM 1917 NE ARG A 126 -8.563 -2.666 -29.326 1.00 0.00 N ATOM 1918 CZ ARG A 126 -7.634 -2.852 -30.309 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -7.103 -4.075 -30.598 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -7.019 -1.729 -30.781 1.00 0.00 N ATOM 0 H ARG A 126 -5.736 -0.396 -26.032 1.00 0.00 H new ATOM 0 HA ARG A 126 -8.281 -0.931 -24.987 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -7.657 -1.159 -27.404 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.698 -2.567 -26.997 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -8.827 -3.629 -26.101 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -9.704 -2.275 -26.786 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -8.220 -4.475 -28.254 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -9.908 -4.025 -28.386 1.00 0.00 H new ATOM 0 HE ARG A 126 -9.073 -1.783 -29.336 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -7.398 -4.897 -30.071 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.411 -4.168 -31.342 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.263 -0.815 -30.399 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.316 -1.803 -31.516 1.00 0.00 H new ATOM 1934 N GLU A 127 -5.773 -3.023 -24.228 1.00 0.00 N ATOM 1935 CA GLU A 127 -5.486 -4.051 -23.277 1.00 0.00 C ATOM 1936 C GLU A 127 -5.299 -3.644 -21.856 1.00 0.00 C ATOM 1937 O GLU A 127 -5.613 -4.386 -20.926 1.00 0.00 O ATOM 1938 CB GLU A 127 -4.264 -4.870 -23.726 1.00 0.00 C ATOM 1939 CG GLU A 127 -4.055 -6.129 -22.883 1.00 0.00 C ATOM 1940 CD GLU A 127 -3.032 -7.071 -23.500 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -1.815 -6.743 -23.482 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.402 -8.178 -23.975 1.00 0.00 O ATOM 0 H GLU A 127 -4.960 -2.657 -24.724 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.404 -4.638 -23.273 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -4.386 -5.154 -24.771 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.372 -4.246 -23.667 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.727 -5.844 -21.883 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.005 -6.651 -22.771 1.00 0.00 H new ATOM 1949 N ALA A 128 -4.847 -2.404 -21.598 1.00 0.00 N ATOM 1950 CA ALA A 128 -4.582 -1.699 -20.383 1.00 0.00 C ATOM 1951 C ALA A 128 -5.834 -1.244 -19.715 1.00 0.00 C ATOM 1952 O ALA A 128 -5.875 -1.294 -18.487 1.00 0.00 O ATOM 1953 CB ALA A 128 -3.569 -0.561 -20.587 1.00 0.00 C ATOM 0 H ALA A 128 -4.632 -1.796 -22.389 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.113 -2.406 -19.699 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.397 -0.052 -19.638 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.629 -0.972 -20.954 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.962 0.150 -21.314 1.00 0.00 H new ATOM 1959 N ASP A 129 -6.850 -0.772 -20.459 1.00 0.00 N ATOM 1960 CA ASP A 129 -8.015 -0.184 -19.872 1.00 0.00 C ATOM 1961 C ASP A 129 -8.967 -1.288 -19.565 1.00 0.00 C ATOM 1962 O ASP A 129 -9.117 -2.265 -20.298 1.00 0.00 O ATOM 1963 CB ASP A 129 -8.621 0.987 -20.663 1.00 0.00 C ATOM 1964 CG ASP A 129 -9.573 1.865 -19.862 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -10.583 1.342 -19.320 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -9.347 3.101 -19.777 1.00 0.00 O ATOM 0 H ASP A 129 -6.864 -0.798 -21.479 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.733 0.319 -18.947 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.811 1.607 -21.047 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.154 0.589 -21.526 1.00 0.00 H new ATOM 1971 N ILE A 130 -9.631 -1.199 -18.399 1.00 0.00 N ATOM 1972 CA ILE A 130 -10.536 -2.221 -17.974 1.00 0.00 C ATOM 1973 C ILE A 130 -11.922 -1.740 -18.231 1.00 0.00 C ATOM 1974 O ILE A 130 -12.659 -2.311 -19.034 1.00 0.00 O ATOM 1975 CB ILE A 130 -10.147 -2.602 -16.576 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -8.808 -3.358 -16.629 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -11.165 -3.637 -16.067 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -8.058 -3.495 -15.305 1.00 0.00 C ATOM 0 H ILE A 130 -9.541 -0.418 -17.749 1.00 0.00 H new ATOM 0 HA ILE A 130 -10.490 -3.159 -18.527 1.00 0.00 H new ATOM 0 HB ILE A 130 -10.097 -1.709 -15.953 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.994 -4.357 -17.022 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.156 -2.851 -17.341 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -10.906 -3.933 -15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -12.163 -3.200 -16.075 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -11.148 -4.513 -16.715 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -7.131 -4.045 -15.467 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.828 -2.504 -14.913 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.679 -4.034 -14.589 1.00 0.00 H new ATOM 1990 N ASP A 131 -12.280 -0.643 -17.540 1.00 0.00 N ATOM 1991 CA ASP A 131 -13.648 -0.228 -17.570 1.00 0.00 C ATOM 1992 C ASP A 131 -14.101 0.330 -18.876 1.00 0.00 C ATOM 1993 O ASP A 131 -15.308 0.497 -19.044 1.00 0.00 O ATOM 1994 CB ASP A 131 -13.834 0.821 -16.461 1.00 0.00 C ATOM 1995 CG ASP A 131 -12.819 1.953 -16.522 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -12.986 2.756 -17.479 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -11.850 2.131 -15.737 1.00 0.00 O ATOM 0 H ASP A 131 -11.652 -0.064 -16.982 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.263 -1.114 -17.415 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.838 1.239 -16.532 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.761 0.330 -15.491 1.00 0.00 H new ATOM 2002 N GLY A 132 -13.151 0.650 -19.772 1.00 0.00 N ATOM 2003 CA GLY A 132 -13.573 0.689 -21.138 1.00 0.00 C ATOM 2004 C GLY A 132 -13.426 2.077 -21.659 1.00 0.00 C ATOM 2005 O GLY A 132 -13.536 2.309 -22.862 1.00 0.00 O ATOM 0 H GLY A 132 -12.173 0.865 -19.579 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -12.976 -0.001 -21.735 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -14.611 0.366 -21.219 1.00 0.00 H new ATOM 2009 N ASP A 133 -13.305 3.103 -20.798 1.00 0.00 N ATOM 2010 CA ASP A 133 -13.629 4.462 -21.101 1.00 0.00 C ATOM 2011 C ASP A 133 -12.609 5.119 -21.966 1.00 0.00 C ATOM 2012 O ASP A 133 -12.787 6.085 -22.706 1.00 0.00 O ATOM 2013 CB ASP A 133 -13.976 5.352 -19.896 1.00 0.00 C ATOM 2014 CG ASP A 133 -12.855 5.499 -18.877 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -11.796 4.834 -19.036 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -13.038 6.194 -17.843 1.00 0.00 O ATOM 0 H ASP A 133 -12.965 2.978 -19.845 1.00 0.00 H new ATOM 0 HA ASP A 133 -14.558 4.368 -21.663 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.252 6.342 -20.259 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.853 4.940 -19.396 1.00 0.00 H new ATOM 2021 N GLY A 134 -11.383 4.568 -21.932 1.00 0.00 N ATOM 2022 CA GLY A 134 -10.288 4.972 -22.759 1.00 0.00 C ATOM 2023 C GLY A 134 -9.335 5.797 -21.965 1.00 0.00 C ATOM 2024 O GLY A 134 -8.352 6.245 -22.553 1.00 0.00 O ATOM 0 H GLY A 134 -11.144 3.805 -21.298 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -9.779 4.095 -23.159 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.655 5.543 -23.612 1.00 0.00 H new ATOM 2028 N GLN A 135 -9.656 6.124 -20.700 1.00 0.00 N ATOM 2029 CA GLN A 135 -8.719 6.722 -19.800 1.00 0.00 C ATOM 2030 C GLN A 135 -8.163 5.735 -18.833 1.00 0.00 C ATOM 2031 O GLN A 135 -8.846 5.223 -17.947 1.00 0.00 O ATOM 2032 CB GLN A 135 -9.372 7.717 -18.825 1.00 0.00 C ATOM 2033 CG GLN A 135 -9.869 8.972 -19.544 1.00 0.00 C ATOM 2034 CD GLN A 135 -8.827 9.847 -20.224 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -7.649 9.580 -19.993 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -9.295 10.833 -21.035 1.00 0.00 N ATOM 0 H GLN A 135 -10.580 5.971 -20.296 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.990 7.170 -20.475 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -10.207 7.234 -18.317 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.652 7.999 -18.057 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -10.594 8.664 -20.297 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.404 9.586 -18.819 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.300 10.963 -21.152 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -8.641 11.443 -21.526 1.00 0.00 H new ATOM 2045 N VAL A 136 -6.897 5.329 -19.034 1.00 0.00 N ATOM 2046 CA VAL A 136 -6.202 4.427 -18.168 1.00 0.00 C ATOM 2047 C VAL A 136 -5.967 5.032 -16.827 1.00 0.00 C ATOM 2048 O VAL A 136 -5.363 6.090 -16.654 1.00 0.00 O ATOM 2049 CB VAL A 136 -5.000 3.820 -18.829 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -4.188 3.021 -17.796 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -5.441 2.875 -19.959 1.00 0.00 C ATOM 0 H VAL A 136 -6.337 5.640 -19.828 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.844 3.569 -17.970 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.386 4.620 -19.243 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.316 2.582 -18.280 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.863 3.686 -16.996 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.809 2.228 -17.379 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.561 2.439 -20.433 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.062 2.080 -19.547 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.012 3.435 -20.700 1.00 0.00 H new ATOM 2061 N ASN A 137 -6.519 4.493 -15.725 1.00 0.00 N ATOM 2062 CA ASN A 137 -6.307 5.058 -14.429 1.00 0.00 C ATOM 2063 C ASN A 137 -5.243 4.259 -13.758 1.00 0.00 C ATOM 2064 O ASN A 137 -4.642 3.375 -14.366 1.00 0.00 O ATOM 2065 CB ASN A 137 -7.606 5.338 -13.655 1.00 0.00 C ATOM 2066 CG ASN A 137 -8.188 4.133 -12.930 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -7.547 3.555 -12.054 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -9.376 3.644 -13.377 1.00 0.00 N ATOM 0 H ASN A 137 -7.113 3.664 -15.732 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.927 6.078 -14.493 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -7.416 6.126 -12.926 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -8.352 5.721 -14.351 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.752 2.781 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.890 4.140 -14.105 1.00 0.00 H new ATOM 2075 N TYR A 138 -4.915 4.638 -12.509 1.00 0.00 N ATOM 2076 CA TYR A 138 -3.980 4.052 -11.600 1.00 0.00 C ATOM 2077 C TYR A 138 -4.091 2.568 -11.522 1.00 0.00 C ATOM 2078 O TYR A 138 -3.102 1.923 -11.868 1.00 0.00 O ATOM 2079 CB TYR A 138 -4.116 4.707 -10.216 1.00 0.00 C ATOM 2080 CG TYR A 138 -2.987 4.263 -9.350 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -1.750 4.685 -9.777 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -3.119 3.478 -8.229 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -0.624 4.331 -9.072 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -2.004 3.160 -7.490 1.00 0.00 C ATOM 2085 CZ TYR A 138 -0.780 3.640 -7.894 1.00 0.00 C ATOM 2086 OH TYR A 138 0.373 3.407 -7.114 1.00 0.00 O ATOM 0 H TYR A 138 -5.362 5.454 -12.091 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.980 4.248 -11.988 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.111 5.793 -10.312 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.068 4.432 -9.762 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.663 5.294 -10.665 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -4.091 3.114 -7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.360 4.590 -9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.088 2.544 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 138 0.127 2.910 -6.306 1.00 0.00 H new ATOM 2096 N GLU A 139 -5.271 2.091 -11.086 1.00 0.00 N ATOM 2097 CA GLU A 139 -5.506 0.700 -10.854 1.00 0.00 C ATOM 2098 C GLU A 139 -5.256 -0.188 -12.024 1.00 0.00 C ATOM 2099 O GLU A 139 -4.639 -1.251 -11.968 1.00 0.00 O ATOM 2100 CB GLU A 139 -6.907 0.346 -10.328 1.00 0.00 C ATOM 2101 CG GLU A 139 -7.023 -1.093 -9.821 1.00 0.00 C ATOM 2102 CD GLU A 139 -8.362 -1.192 -9.104 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -9.364 -0.715 -9.700 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -8.364 -1.849 -8.029 1.00 0.00 O ATOM 0 H GLU A 139 -6.078 2.684 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.764 0.512 -10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.166 1.030 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.635 0.502 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.973 -1.801 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.202 -1.334 -9.145 1.00 0.00 H new ATOM 2111 N GLU A 140 -5.759 0.282 -13.179 1.00 0.00 N ATOM 2112 CA GLU A 140 -5.645 -0.416 -14.422 1.00 0.00 C ATOM 2113 C GLU A 140 -4.256 -0.493 -14.958 1.00 0.00 C ATOM 2114 O GLU A 140 -3.847 -1.572 -15.383 1.00 0.00 O ATOM 2115 CB GLU A 140 -6.546 0.110 -15.552 1.00 0.00 C ATOM 2116 CG GLU A 140 -7.736 0.889 -14.988 1.00 0.00 C ATOM 2117 CD GLU A 140 -8.614 1.577 -16.024 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -9.495 0.973 -16.693 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -8.597 2.835 -16.085 1.00 0.00 O ATOM 0 H GLU A 140 -6.257 1.169 -13.251 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.985 -1.411 -14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -5.967 0.754 -16.214 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.906 -0.725 -16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -8.355 0.204 -14.408 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.360 1.643 -14.296 1.00 0.00 H new ATOM 2126 N PHE A 141 -3.523 0.634 -14.932 1.00 0.00 N ATOM 2127 CA PHE A 141 -2.118 0.618 -15.200 1.00 0.00 C ATOM 2128 C PHE A 141 -1.273 -0.266 -14.349 1.00 0.00 C ATOM 2129 O PHE A 141 -0.456 -1.052 -14.827 1.00 0.00 O ATOM 2130 CB PHE A 141 -1.689 2.089 -15.068 1.00 0.00 C ATOM 2131 CG PHE A 141 -0.234 2.322 -15.285 1.00 0.00 C ATOM 2132 CD1 PHE A 141 0.219 2.436 -16.579 1.00 0.00 C ATOM 2133 CD2 PHE A 141 0.630 2.356 -14.215 1.00 0.00 C ATOM 2134 CE1 PHE A 141 1.569 2.629 -16.752 1.00 0.00 C ATOM 2135 CE2 PHE A 141 1.953 2.673 -14.410 1.00 0.00 C ATOM 2136 CZ PHE A 141 2.437 2.763 -15.694 1.00 0.00 C ATOM 0 H PHE A 141 -3.903 1.558 -14.725 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.959 0.181 -16.186 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.252 2.686 -15.785 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.959 2.447 -14.074 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.455 2.377 -17.421 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.269 2.134 -13.222 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.963 2.677 -17.757 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.604 2.849 -13.566 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.488 2.937 -15.870 1.00 0.00 H new ATOM 2146 N VAL A 142 -1.545 -0.124 -13.040 1.00 0.00 N ATOM 2147 CA VAL A 142 -0.903 -0.864 -11.998 1.00 0.00 C ATOM 2148 C VAL A 142 -1.058 -2.342 -12.102 1.00 0.00 C ATOM 2149 O VAL A 142 -0.169 -3.117 -11.754 1.00 0.00 O ATOM 2150 CB VAL A 142 -1.355 -0.392 -10.648 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.947 -1.345 -9.512 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -0.759 0.984 -10.304 1.00 0.00 C ATOM 0 H VAL A 142 -2.242 0.535 -12.693 1.00 0.00 H new ATOM 0 HA VAL A 142 0.161 -0.665 -12.125 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.442 -0.346 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.302 -0.950 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.388 -2.327 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.139 -1.435 -9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.107 1.295 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.329 0.919 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.076 1.714 -11.049 1.00 0.00 H new ATOM 2162 N GLN A 143 -2.148 -2.821 -12.728 1.00 0.00 N ATOM 2163 CA GLN A 143 -2.345 -4.210 -13.004 1.00 0.00 C ATOM 2164 C GLN A 143 -1.372 -4.809 -13.961 1.00 0.00 C ATOM 2165 O GLN A 143 -0.921 -5.936 -13.763 1.00 0.00 O ATOM 2166 CB GLN A 143 -3.782 -4.316 -13.543 1.00 0.00 C ATOM 2167 CG GLN A 143 -4.172 -5.792 -13.639 1.00 0.00 C ATOM 2168 CD GLN A 143 -5.564 -5.867 -14.249 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -5.648 -5.858 -15.606 1.00 0.00 O flip ATOM 2170 NE2 GLN A 143 -6.535 -5.842 -13.494 1.00 0.00 N flip ATOM 0 H GLN A 143 -2.912 -2.227 -13.051 1.00 0.00 H new ATOM 0 HA GLN A 143 -2.181 -4.782 -12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.471 -3.787 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.852 -3.844 -14.523 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.456 -6.337 -14.254 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.162 -6.255 -12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.396 -5.851 -12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.479 -5.812 -13.878 1.00 0.00 H new ATOM 2179 N MET A 144 -0.907 -4.057 -14.974 1.00 0.00 N ATOM 2180 CA MET A 144 0.114 -4.533 -15.855 1.00 0.00 C ATOM 2181 C MET A 144 1.439 -4.552 -15.174 1.00 0.00 C ATOM 2182 O MET A 144 2.225 -5.449 -15.477 1.00 0.00 O ATOM 2183 CB MET A 144 0.044 -3.642 -17.106 1.00 0.00 C ATOM 2184 CG MET A 144 -1.239 -3.683 -17.939 1.00 0.00 C ATOM 2185 SD MET A 144 -0.955 -3.030 -19.612 1.00 0.00 S ATOM 2186 CE MET A 144 -0.458 -1.360 -19.097 1.00 0.00 C ATOM 0 H MET A 144 -1.239 -3.116 -15.184 1.00 0.00 H new ATOM 0 HA MET A 144 -0.036 -5.570 -16.154 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.207 -2.611 -16.793 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.875 -3.913 -17.757 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.602 -4.709 -18.003 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.016 -3.100 -17.445 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.521 -0.683 -19.949 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.121 -1.011 -18.306 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.567 -1.383 -18.727 1.00 0.00 H new ATOM 2196 N MET A 145 1.682 -3.695 -14.166 1.00 0.00 N ATOM 2197 CA MET A 145 2.823 -3.579 -13.313 1.00 0.00 C ATOM 2198 C MET A 145 2.963 -4.682 -12.321 1.00 0.00 C ATOM 2199 O MET A 145 4.054 -5.180 -12.049 1.00 0.00 O ATOM 2200 CB MET A 145 2.879 -2.222 -12.591 1.00 0.00 C ATOM 2201 CG MET A 145 2.876 -1.052 -13.577 1.00 0.00 C ATOM 2202 SD MET A 145 3.955 0.377 -13.263 1.00 0.00 S ATOM 2203 CE MET A 145 5.605 -0.359 -13.446 1.00 0.00 C ATOM 0 H MET A 145 0.983 -2.994 -13.922 1.00 0.00 H new ATOM 0 HA MET A 145 3.670 -3.656 -13.995 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.026 -2.133 -11.919 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.777 -2.175 -11.975 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.136 -1.449 -14.558 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.853 -0.682 -13.644 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.364 0.409 -13.297 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.736 -1.147 -12.705 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.706 -0.781 -14.446 1.00 0.00 H new