USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 935 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 116 HIS : no HD1:sc= 0.83 K(o=2.1,f=-5!) USER MOD Set 1.2: A 117 HIS : no HE2:sc= 1.22 K(o=2.1,f=-7!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 158:sc= -0.233 (180deg=-0.613) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -157:sc=-0.00185 (180deg=0) USER MOD Set 2.3: A 81 THR OG1 : rot 130:sc= -0.95! USER MOD Set 3.1: A 28 SER OG : rot -172:sc= 1.52 USER MOD Set 3.2: A 85 ASN :FLIP amide:sc= -0.0921 F(o=-4.6!,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.613 (180deg=-1.91!) USER MOD Single : A 5 GLN : amide:sc= -3.36! C(o=-3.4!,f=-18!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.255 (180deg=-0.688) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -120:sc= -0.321 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0541) USER MOD Single : A 23 SER OG : rot -120:sc= -0.998 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 30 MET CE :methyl -141:sc= 0 (180deg=-0.564) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.000131 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.165) USER MOD Single : A 45 SER OG : rot 180:sc= -0.364 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -58:sc= 0.752 USER MOD Single : A 52 MET CE :methyl 164:sc= -2.49 (180deg=-3.39!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 140:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0314 K(o=-0.031,f=-0.95) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.123 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.047) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 154:sc= -0.129 (180deg=-1.05) USER MOD Single : A 100 TYR OH : rot 114:sc= 0.905 USER MOD Single : A 104 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= -0.0304 (180deg=-0.46) USER MOD Single : A 111 SER OG : rot -65:sc= 0.75 USER MOD Single : A 115 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-2.4!) USER MOD Single : A 118 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=-0.12) USER MOD Single : A 119 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-1) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.263 4.689 10.012 1.00 0.00 N ATOM 2 CA MET A 1 10.802 4.966 10.090 1.00 0.00 C ATOM 3 C MET A 1 10.069 4.211 8.977 1.00 0.00 C ATOM 4 O MET A 1 10.571 4.041 7.884 1.00 0.00 O ATOM 5 CB MET A 1 10.556 6.472 9.949 1.00 0.00 C ATOM 6 CG MET A 1 11.594 7.240 10.775 1.00 0.00 C ATOM 7 SD MET A 1 13.143 7.345 9.843 1.00 0.00 S ATOM 8 CE MET A 1 14.057 8.350 11.038 1.00 0.00 C ATOM 0 H1 MET A 1 12.630 4.490 10.965 1.00 0.00 H new ATOM 0 H2 MET A 1 12.428 3.865 9.399 1.00 0.00 H new ATOM 0 H3 MET A 1 12.753 5.518 9.618 1.00 0.00 H new ATOM 0 HA MET A 1 10.423 4.629 11.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.621 6.765 8.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.550 6.720 10.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.226 8.240 11.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.763 6.737 11.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.062 8.541 10.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.540 9.298 11.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.121 7.818 11.987 1.00 0.00 H new ATOM 20 N ALA A 2 8.883 3.748 9.259 1.00 0.00 N ATOM 21 CA ALA A 2 8.106 2.989 8.241 1.00 0.00 C ATOM 22 C ALA A 2 7.692 3.910 7.090 1.00 0.00 C ATOM 23 O ALA A 2 7.301 5.040 7.290 1.00 0.00 O ATOM 24 CB ALA A 2 6.861 2.400 8.901 1.00 0.00 C ATOM 0 H ALA A 2 8.416 3.864 10.158 1.00 0.00 H new ATOM 0 HA ALA A 2 8.728 2.189 7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.286 1.842 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.159 1.731 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.248 3.206 9.305 1.00 0.00 H new ATOM 30 N GLU A 3 7.777 3.423 5.880 1.00 0.00 N ATOM 31 CA GLU A 3 7.390 4.262 4.709 1.00 0.00 C ATOM 32 C GLU A 3 6.988 3.363 3.541 1.00 0.00 C ATOM 33 O GLU A 3 7.611 2.354 3.271 1.00 0.00 O ATOM 34 CB GLU A 3 8.566 5.149 4.299 1.00 0.00 C ATOM 35 CG GLU A 3 9.745 4.284 3.846 1.00 0.00 C ATOM 36 CD GLU A 3 10.955 5.179 3.571 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.178 6.094 4.348 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.636 4.936 2.589 1.00 0.00 O ATOM 0 H GLU A 3 8.097 2.482 5.653 1.00 0.00 H new ATOM 0 HA GLU A 3 6.544 4.893 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.264 5.817 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.867 5.777 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.989 3.550 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.478 3.728 2.947 1.00 0.00 H new ATOM 45 N ILE A 4 5.948 3.733 2.841 1.00 0.00 N ATOM 46 CA ILE A 4 5.471 2.921 1.678 1.00 0.00 C ATOM 47 C ILE A 4 5.680 3.709 0.391 1.00 0.00 C ATOM 48 O ILE A 4 5.315 4.861 0.283 1.00 0.00 O ATOM 49 CB ILE A 4 3.981 2.615 1.852 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.762 1.822 3.169 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.503 1.785 0.655 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.400 2.780 4.307 1.00 0.00 C ATOM 0 H ILE A 4 5.401 4.574 3.027 1.00 0.00 H new ATOM 0 HA ILE A 4 6.032 1.988 1.628 1.00 0.00 H new ATOM 0 HB ILE A 4 3.414 3.544 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.966 1.089 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.666 1.268 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.442 1.561 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.659 2.349 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.068 0.854 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.249 2.213 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.209 3.496 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.484 3.314 4.055 1.00 0.00 H new ATOM 64 N GLN A 5 6.276 3.088 -0.589 1.00 0.00 N ATOM 65 CA GLN A 5 6.519 3.794 -1.880 1.00 0.00 C ATOM 66 C GLN A 5 6.482 2.789 -3.031 1.00 0.00 C ATOM 67 O GLN A 5 6.889 1.650 -2.896 1.00 0.00 O ATOM 68 CB GLN A 5 7.883 4.490 -1.833 1.00 0.00 C ATOM 69 CG GLN A 5 8.939 3.531 -1.278 1.00 0.00 C ATOM 70 CD GLN A 5 10.303 4.228 -1.257 1.00 0.00 C ATOM 71 OE1 GLN A 5 10.589 5.057 -2.100 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.165 3.925 -0.326 1.00 0.00 N ATOM 0 H GLN A 5 6.605 2.123 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 5 5.742 4.542 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.168 4.819 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.825 5.381 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.665 3.215 -0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.988 2.632 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.928 3.230 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.076 4.383 -0.306 1.00 0.00 H new ATOM 81 N PHE A 6 5.999 3.211 -4.163 1.00 0.00 N ATOM 82 CA PHE A 6 5.926 2.308 -5.347 1.00 0.00 C ATOM 83 C PHE A 6 7.341 1.901 -5.764 1.00 0.00 C ATOM 84 O PHE A 6 7.616 0.752 -6.043 1.00 0.00 O ATOM 85 CB PHE A 6 5.265 3.061 -6.506 1.00 0.00 C ATOM 86 CG PHE A 6 3.805 3.294 -6.202 1.00 0.00 C ATOM 87 CD1 PHE A 6 2.852 2.342 -6.578 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.405 4.465 -5.546 1.00 0.00 C ATOM 89 CE1 PHE A 6 1.498 2.559 -6.299 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.050 4.683 -5.267 1.00 0.00 C ATOM 91 CZ PHE A 6 1.097 3.729 -5.643 1.00 0.00 C ATOM 0 H PHE A 6 5.647 4.155 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 6 5.347 1.420 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.769 4.014 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.366 2.488 -7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.161 1.439 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.141 5.200 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.762 1.824 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.741 5.586 -4.762 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.052 3.896 -5.427 1.00 0.00 H new ATOM 101 N SER A 7 8.237 2.852 -5.820 1.00 0.00 N ATOM 102 CA SER A 7 9.646 2.554 -6.231 1.00 0.00 C ATOM 103 C SER A 7 10.569 2.568 -5.012 1.00 0.00 C ATOM 104 O SER A 7 10.269 3.157 -3.990 1.00 0.00 O ATOM 105 CB SER A 7 10.107 3.604 -7.242 1.00 0.00 C ATOM 106 OG SER A 7 9.527 3.312 -8.506 1.00 0.00 O ATOM 0 H SER A 7 8.054 3.830 -5.597 1.00 0.00 H new ATOM 0 HA SER A 7 9.685 1.564 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.811 4.600 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.194 3.603 -7.317 1.00 0.00 H new ATOM 0 HG SER A 7 9.816 3.981 -9.161 1.00 0.00 H new ATOM 112 N LYS A 8 11.692 1.916 -5.120 1.00 0.00 N ATOM 113 CA LYS A 8 12.652 1.867 -3.983 1.00 0.00 C ATOM 114 C LYS A 8 13.270 3.249 -3.742 1.00 0.00 C ATOM 115 O LYS A 8 13.713 3.921 -4.653 1.00 0.00 O ATOM 116 CB LYS A 8 13.762 0.861 -4.302 1.00 0.00 C ATOM 117 CG LYS A 8 13.176 -0.555 -4.337 1.00 0.00 C ATOM 118 CD LYS A 8 14.280 -1.564 -4.674 1.00 0.00 C ATOM 119 CE LYS A 8 13.674 -2.966 -4.797 1.00 0.00 C ATOM 120 NZ LYS A 8 13.054 -3.359 -3.499 1.00 0.00 N ATOM 0 H LYS A 8 11.988 1.410 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 8 12.119 1.560 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.219 1.100 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.549 0.922 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.730 -0.798 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.380 -0.611 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.769 -1.285 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.045 -1.554 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.925 -2.981 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.446 -3.684 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.919 -4.390 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.677 -3.074 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.133 -2.887 -3.397 1.00 0.00 H new ATOM 134 N GLY A 9 13.305 3.662 -2.505 1.00 0.00 N ATOM 135 CA GLY A 9 13.895 4.988 -2.159 1.00 0.00 C ATOM 136 C GLY A 9 13.398 6.064 -3.129 1.00 0.00 C ATOM 137 O GLY A 9 14.034 6.368 -4.119 1.00 0.00 O ATOM 0 H GLY A 9 12.946 3.132 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.625 5.258 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.983 4.930 -2.197 1.00 0.00 H new ATOM 141 N VAL A 10 12.271 6.649 -2.839 1.00 0.00 N ATOM 142 CA VAL A 10 11.714 7.721 -3.719 1.00 0.00 C ATOM 143 C VAL A 10 11.989 9.088 -3.087 1.00 0.00 C ATOM 144 O VAL A 10 12.875 9.811 -3.497 1.00 0.00 O ATOM 145 CB VAL A 10 10.204 7.512 -3.854 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.552 8.748 -4.488 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.947 6.298 -4.746 1.00 0.00 C ATOM 0 H VAL A 10 11.703 6.430 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 10 12.182 7.679 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 10 9.775 7.351 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.478 8.587 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.736 9.619 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.978 8.917 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.873 6.142 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.383 6.471 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.401 5.414 -4.298 1.00 0.00 H new ATOM 157 N ALA A 11 11.220 9.448 -2.096 1.00 0.00 N ATOM 158 CA ALA A 11 11.417 10.771 -1.434 1.00 0.00 C ATOM 159 C ALA A 11 10.424 10.933 -0.275 1.00 0.00 C ATOM 160 O ALA A 11 10.634 10.445 0.817 1.00 0.00 O ATOM 161 CB ALA A 11 11.169 11.893 -2.448 1.00 0.00 C ATOM 0 H ALA A 11 10.462 8.882 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 11 12.437 10.824 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.313 12.859 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.869 11.795 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.148 11.824 -2.824 1.00 0.00 H new ATOM 167 N GLU A 12 9.351 11.633 -0.515 1.00 0.00 N ATOM 168 CA GLU A 12 8.334 11.865 0.554 1.00 0.00 C ATOM 169 C GLU A 12 7.840 10.534 1.134 1.00 0.00 C ATOM 170 O GLU A 12 7.686 9.548 0.441 1.00 0.00 O ATOM 171 CB GLU A 12 7.152 12.652 -0.027 1.00 0.00 C ATOM 172 CG GLU A 12 7.623 14.046 -0.459 1.00 0.00 C ATOM 173 CD GLU A 12 8.072 14.847 0.767 1.00 0.00 C ATOM 174 OE1 GLU A 12 7.681 14.483 1.863 1.00 0.00 O ATOM 175 OE2 GLU A 12 8.799 15.809 0.588 1.00 0.00 O ATOM 0 H GLU A 12 9.131 12.060 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 12 8.796 12.438 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.731 12.119 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.360 12.739 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.446 13.958 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.816 14.570 -0.971 1.00 0.00 H new ATOM 182 N THR A 13 7.599 10.517 2.418 1.00 0.00 N ATOM 183 CA THR A 13 7.121 9.274 3.090 1.00 0.00 C ATOM 184 C THR A 13 5.637 9.043 2.771 1.00 0.00 C ATOM 185 O THR A 13 5.119 7.954 2.927 1.00 0.00 O ATOM 186 CB THR A 13 7.305 9.435 4.601 1.00 0.00 C ATOM 187 OG1 THR A 13 8.689 9.568 4.897 1.00 0.00 O ATOM 188 CG2 THR A 13 6.741 8.209 5.316 1.00 0.00 C ATOM 0 H THR A 13 7.714 11.320 3.036 1.00 0.00 H new ATOM 0 HA THR A 13 7.693 8.417 2.733 1.00 0.00 H new ATOM 0 HB THR A 13 6.776 10.325 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.808 9.673 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.872 8.323 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.680 8.111 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.268 7.317 4.979 1.00 0.00 H new ATOM 196 N VAL A 14 4.959 10.061 2.322 1.00 0.00 N ATOM 197 CA VAL A 14 3.512 9.927 1.983 1.00 0.00 C ATOM 198 C VAL A 14 2.723 9.392 3.187 1.00 0.00 C ATOM 199 O VAL A 14 3.268 8.785 4.086 1.00 0.00 O ATOM 200 CB VAL A 14 3.354 8.978 0.798 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.959 9.141 0.188 1.00 0.00 C ATOM 202 CG2 VAL A 14 4.409 9.314 -0.256 1.00 0.00 C ATOM 0 H VAL A 14 5.349 10.992 2.173 1.00 0.00 H new ATOM 0 HA VAL A 14 3.119 10.909 1.721 1.00 0.00 H new ATOM 0 HB VAL A 14 3.481 7.950 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.850 8.462 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.204 8.909 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.829 10.168 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.302 8.640 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.275 10.343 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.403 9.199 0.175 1.00 0.00 H new ATOM 212 N VAL A 15 1.435 9.629 3.209 1.00 0.00 N ATOM 213 CA VAL A 15 0.592 9.153 4.353 1.00 0.00 C ATOM 214 C VAL A 15 -0.734 8.588 3.825 1.00 0.00 C ATOM 215 O VAL A 15 -1.770 9.212 3.937 1.00 0.00 O ATOM 216 CB VAL A 15 0.317 10.333 5.297 1.00 0.00 C ATOM 217 CG1 VAL A 15 1.569 10.608 6.132 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.030 11.584 4.484 1.00 0.00 C ATOM 0 H VAL A 15 0.928 10.133 2.482 1.00 0.00 H new ATOM 0 HA VAL A 15 1.119 8.366 4.893 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.521 10.085 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.381 11.445 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.819 9.722 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.400 10.853 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.224 12.416 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.804 11.836 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.918 11.392 3.882 1.00 0.00 H new ATOM 228 N PRO A 16 -0.693 7.410 3.247 1.00 0.00 N ATOM 229 CA PRO A 16 -1.904 6.737 2.689 1.00 0.00 C ATOM 230 C PRO A 16 -2.772 6.091 3.778 1.00 0.00 C ATOM 231 O PRO A 16 -2.282 5.620 4.787 1.00 0.00 O ATOM 232 CB PRO A 16 -1.317 5.689 1.738 1.00 0.00 C ATOM 233 CG PRO A 16 0.005 5.329 2.337 1.00 0.00 C ATOM 234 CD PRO A 16 0.514 6.583 3.065 1.00 0.00 C ATOM 0 HA PRO A 16 -2.577 7.437 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.967 4.817 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.199 6.090 0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.098 4.494 3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.708 5.017 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.972 6.330 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.270 7.105 2.478 1.00 0.00 H new ATOM 242 N GLU A 17 -4.058 6.069 3.573 1.00 0.00 N ATOM 243 CA GLU A 17 -4.972 5.468 4.588 1.00 0.00 C ATOM 244 C GLU A 17 -4.878 3.943 4.540 1.00 0.00 C ATOM 245 O GLU A 17 -4.413 3.361 3.581 1.00 0.00 O ATOM 246 CB GLU A 17 -6.408 5.897 4.294 1.00 0.00 C ATOM 247 CG GLU A 17 -6.551 7.410 4.494 1.00 0.00 C ATOM 248 CD GLU A 17 -6.309 7.767 5.963 1.00 0.00 C ATOM 249 OE1 GLU A 17 -6.405 6.876 6.791 1.00 0.00 O ATOM 250 OE2 GLU A 17 -6.035 8.923 6.232 1.00 0.00 O ATOM 0 H GLU A 17 -4.519 6.442 2.743 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.680 5.813 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.675 5.630 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.097 5.368 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.839 7.938 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.547 7.733 4.192 1.00 0.00 H new ATOM 257 N VAL A 18 -5.320 3.295 5.589 1.00 0.00 N ATOM 258 CA VAL A 18 -5.267 1.802 5.651 1.00 0.00 C ATOM 259 C VAL A 18 -6.691 1.244 5.637 1.00 0.00 C ATOM 260 O VAL A 18 -7.552 1.681 6.374 1.00 0.00 O ATOM 261 CB VAL A 18 -4.565 1.387 6.945 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.710 -0.122 7.154 1.00 0.00 C ATOM 263 CG2 VAL A 18 -3.082 1.748 6.848 1.00 0.00 C ATOM 0 H VAL A 18 -5.720 3.742 6.414 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.720 1.411 4.793 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.019 1.909 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.208 -0.411 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.767 -0.380 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.259 -0.651 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.575 1.455 7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.634 1.224 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.978 2.823 6.703 1.00 0.00 H new ATOM 273 N ARG A 19 -6.936 0.275 4.791 1.00 0.00 N ATOM 274 CA ARG A 19 -8.300 -0.339 4.697 1.00 0.00 C ATOM 275 C ARG A 19 -8.186 -1.860 4.807 1.00 0.00 C ATOM 276 O ARG A 19 -7.291 -2.473 4.263 1.00 0.00 O ATOM 277 CB ARG A 19 -8.926 0.023 3.351 1.00 0.00 C ATOM 278 CG ARG A 19 -9.254 1.517 3.324 1.00 0.00 C ATOM 279 CD ARG A 19 -9.774 1.901 1.935 1.00 0.00 C ATOM 280 NE ARG A 19 -11.051 1.174 1.663 1.00 0.00 N ATOM 281 CZ ARG A 19 -11.586 1.200 0.472 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.020 1.868 -0.496 1.00 0.00 N ATOM 283 NH2 ARG A 19 -12.698 0.553 0.248 1.00 0.00 N ATOM 0 H ARG A 19 -6.244 -0.122 4.155 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.924 0.039 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.240 -0.224 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.832 -0.562 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.003 1.750 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.365 2.100 3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.937 2.977 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.033 1.652 1.176 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.508 0.654 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.152 2.376 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.446 1.882 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.145 0.030 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.120 0.570 -0.681 1.00 0.00 H new ATOM 297 N LEU A 20 -9.102 -2.469 5.514 1.00 0.00 N ATOM 298 CA LEU A 20 -9.074 -3.955 5.683 1.00 0.00 C ATOM 299 C LEU A 20 -10.020 -4.603 4.678 1.00 0.00 C ATOM 300 O LEU A 20 -11.133 -4.164 4.477 1.00 0.00 O ATOM 301 CB LEU A 20 -9.510 -4.306 7.112 1.00 0.00 C ATOM 302 CG LEU A 20 -8.320 -4.147 8.076 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.250 -5.230 7.807 1.00 0.00 C ATOM 304 CD2 LEU A 20 -7.707 -2.747 7.895 1.00 0.00 C ATOM 0 H LEU A 20 -9.874 -1.998 5.985 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.064 -4.327 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.329 -3.657 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.883 -5.329 7.147 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.674 -4.265 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.418 -5.099 8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.688 -6.218 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.888 -5.138 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.864 -2.628 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.363 -2.630 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.459 -1.989 8.114 1.00 0.00 H new ATOM 316 N SER A 21 -9.568 -5.652 4.041 1.00 0.00 N ATOM 317 CA SER A 21 -10.416 -6.354 3.032 1.00 0.00 C ATOM 318 C SER A 21 -10.336 -7.867 3.253 1.00 0.00 C ATOM 319 O SER A 21 -9.303 -8.405 3.596 1.00 0.00 O ATOM 320 CB SER A 21 -9.902 -6.022 1.634 1.00 0.00 C ATOM 321 OG SER A 21 -10.704 -6.692 0.672 1.00 0.00 O ATOM 0 H SER A 21 -8.641 -6.055 4.178 1.00 0.00 H new ATOM 0 HA SER A 21 -11.451 -6.029 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.935 -4.945 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.861 -6.328 1.534 1.00 0.00 H new ATOM 0 HG SER A 21 -10.143 -7.294 0.140 1.00 0.00 H new ATOM 327 N LYS A 22 -11.434 -8.551 3.059 1.00 0.00 N ATOM 328 CA LYS A 22 -11.454 -10.035 3.262 1.00 0.00 C ATOM 329 C LYS A 22 -11.364 -10.756 1.920 1.00 0.00 C ATOM 330 O LYS A 22 -11.652 -10.209 0.873 1.00 0.00 O ATOM 331 CB LYS A 22 -12.755 -10.436 3.957 1.00 0.00 C ATOM 332 CG LYS A 22 -12.858 -9.743 5.321 1.00 0.00 C ATOM 333 CD LYS A 22 -11.750 -10.250 6.259 1.00 0.00 C ATOM 334 CE LYS A 22 -12.126 -9.960 7.711 1.00 0.00 C ATOM 335 NZ LYS A 22 -12.185 -8.487 7.923 1.00 0.00 N ATOM 0 H LYS A 22 -12.323 -8.145 2.767 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.599 -10.316 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.608 -10.162 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.789 -11.518 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.773 -8.664 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.835 -9.937 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.604 -11.321 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.805 -9.765 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.090 -10.411 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.394 -10.406 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.272 -8.286 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.316 -8.048 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.008 -8.097 7.421 1.00 0.00 H new ATOM 349 N SER A 23 -10.953 -11.991 1.961 1.00 0.00 N ATOM 350 CA SER A 23 -10.816 -12.791 0.717 1.00 0.00 C ATOM 351 C SER A 23 -12.192 -13.050 0.098 1.00 0.00 C ATOM 352 O SER A 23 -13.216 -12.854 0.718 1.00 0.00 O ATOM 353 CB SER A 23 -10.146 -14.124 1.056 1.00 0.00 C ATOM 354 OG SER A 23 -10.823 -14.726 2.151 1.00 0.00 O ATOM 0 H SER A 23 -10.703 -12.486 2.817 1.00 0.00 H new ATOM 0 HA SER A 23 -10.209 -12.240 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.170 -14.786 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.097 -13.964 1.306 1.00 0.00 H new ATOM 0 HG SER A 23 -10.197 -14.848 2.895 1.00 0.00 H new ATOM 360 N LYS A 24 -12.211 -13.485 -1.130 1.00 0.00 N ATOM 361 CA LYS A 24 -13.505 -13.761 -1.809 1.00 0.00 C ATOM 362 C LYS A 24 -14.247 -14.868 -1.057 1.00 0.00 C ATOM 363 O LYS A 24 -15.450 -14.829 -0.889 1.00 0.00 O ATOM 364 CB LYS A 24 -13.235 -14.226 -3.238 1.00 0.00 C ATOM 365 CG LYS A 24 -12.647 -13.072 -4.052 1.00 0.00 C ATOM 366 CD LYS A 24 -12.305 -13.555 -5.470 1.00 0.00 C ATOM 367 CE LYS A 24 -13.584 -13.688 -6.309 1.00 0.00 C ATOM 368 NZ LYS A 24 -13.225 -13.812 -7.748 1.00 0.00 N ATOM 0 H LYS A 24 -11.381 -13.662 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.110 -12.854 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.544 -15.069 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.159 -14.575 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.360 -12.249 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.751 -12.689 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.621 -12.853 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.792 -14.516 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.152 -14.561 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.223 -12.818 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.092 -13.902 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.700 -12.966 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.632 -14.655 -7.886 1.00 0.00 H new ATOM 382 N ASN A 25 -13.535 -15.861 -0.610 1.00 0.00 N ATOM 383 CA ASN A 25 -14.181 -16.983 0.130 1.00 0.00 C ATOM 384 C ASN A 25 -14.161 -16.669 1.631 1.00 0.00 C ATOM 385 O ASN A 25 -14.729 -17.382 2.437 1.00 0.00 O ATOM 386 CB ASN A 25 -13.392 -18.269 -0.138 1.00 0.00 C ATOM 387 CG ASN A 25 -13.524 -18.653 -1.614 1.00 0.00 C ATOM 388 OD1 ASN A 25 -14.606 -18.631 -2.165 1.00 0.00 O ATOM 389 ND2 ASN A 25 -12.459 -19.002 -2.284 1.00 0.00 N ATOM 0 H ASN A 25 -12.525 -15.946 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.212 -17.109 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.343 -18.124 0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.766 -19.075 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.536 -19.256 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.550 -19.021 -1.822 1.00 0.00 H new ATOM 396 N GLY A 26 -13.508 -15.605 2.015 1.00 0.00 N ATOM 397 CA GLY A 26 -13.443 -15.244 3.464 1.00 0.00 C ATOM 398 C GLY A 26 -12.506 -16.223 4.178 1.00 0.00 C ATOM 399 O GLY A 26 -12.503 -16.332 5.389 1.00 0.00 O ATOM 0 H GLY A 26 -13.016 -14.968 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.082 -14.222 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.438 -15.283 3.907 1.00 0.00 H new ATOM 403 N GLN A 27 -11.712 -16.932 3.430 1.00 0.00 N ATOM 404 CA GLN A 27 -10.767 -17.910 4.047 1.00 0.00 C ATOM 405 C GLN A 27 -9.576 -17.168 4.666 1.00 0.00 C ATOM 406 O GLN A 27 -9.497 -16.990 5.866 1.00 0.00 O ATOM 407 CB GLN A 27 -10.252 -18.869 2.965 1.00 0.00 C ATOM 408 CG GLN A 27 -11.372 -19.824 2.542 1.00 0.00 C ATOM 409 CD GLN A 27 -10.876 -20.734 1.410 1.00 0.00 C ATOM 410 OE1 GLN A 27 -9.719 -20.691 1.039 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.713 -21.562 0.841 1.00 0.00 N ATOM 0 H GLN A 27 -11.674 -16.879 2.412 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.288 -18.469 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.899 -18.303 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.402 -19.436 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.690 -20.426 3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.241 -19.256 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.684 -21.599 1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.395 -22.171 0.087 1.00 0.00 H new ATOM 420 N SER A 28 -8.645 -16.749 3.858 1.00 0.00 N ATOM 421 CA SER A 28 -7.451 -16.030 4.396 1.00 0.00 C ATOM 422 C SER A 28 -7.812 -14.574 4.711 1.00 0.00 C ATOM 423 O SER A 28 -8.339 -14.259 5.758 1.00 0.00 O ATOM 424 CB SER A 28 -6.337 -16.050 3.349 1.00 0.00 C ATOM 425 OG SER A 28 -6.896 -15.787 2.069 1.00 0.00 O ATOM 0 H SER A 28 -8.656 -16.872 2.846 1.00 0.00 H new ATOM 0 HA SER A 28 -7.118 -16.525 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.581 -15.302 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.838 -17.019 3.349 1.00 0.00 H new ATOM 0 HG SER A 28 -6.213 -15.923 1.380 1.00 0.00 H new ATOM 431 N GLY A 29 -7.514 -13.683 3.804 1.00 0.00 N ATOM 432 CA GLY A 29 -7.830 -12.242 4.034 1.00 0.00 C ATOM 433 C GLY A 29 -6.778 -11.367 3.347 1.00 0.00 C ATOM 434 O GLY A 29 -5.785 -11.845 2.839 1.00 0.00 O ATOM 0 H GLY A 29 -7.065 -13.890 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.821 -12.010 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.851 -12.030 5.103 1.00 0.00 H new ATOM 438 N MET A 30 -6.993 -10.080 3.334 1.00 0.00 N ATOM 439 CA MET A 30 -6.013 -9.166 2.680 1.00 0.00 C ATOM 440 C MET A 30 -6.192 -7.743 3.223 1.00 0.00 C ATOM 441 O MET A 30 -7.083 -7.464 3.999 1.00 0.00 O ATOM 442 CB MET A 30 -6.235 -9.170 1.158 1.00 0.00 C ATOM 443 CG MET A 30 -7.724 -9.341 0.852 1.00 0.00 C ATOM 444 SD MET A 30 -8.003 -9.119 -0.924 1.00 0.00 S ATOM 445 CE MET A 30 -7.613 -10.810 -1.445 1.00 0.00 C ATOM 0 H MET A 30 -7.805 -9.621 3.748 1.00 0.00 H new ATOM 0 HA MET A 30 -5.002 -9.510 2.897 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.870 -8.238 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.665 -9.979 0.700 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.059 -10.330 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.308 -8.614 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.062 -10.783 -2.385 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.005 -11.295 -0.681 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.538 -11.371 -1.582 1.00 0.00 H new ATOM 455 N ALA A 31 -5.340 -6.843 2.804 1.00 0.00 N ATOM 456 CA ALA A 31 -5.436 -5.426 3.268 1.00 0.00 C ATOM 457 C ALA A 31 -5.256 -4.499 2.067 1.00 0.00 C ATOM 458 O ALA A 31 -4.493 -4.779 1.164 1.00 0.00 O ATOM 459 CB ALA A 31 -4.331 -5.151 4.290 1.00 0.00 C ATOM 0 H ALA A 31 -4.576 -7.031 2.155 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.408 -5.252 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.399 -4.118 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.448 -5.822 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.358 -5.318 3.828 1.00 0.00 H new ATOM 465 N LYS A 32 -5.965 -3.398 2.050 1.00 0.00 N ATOM 466 CA LYS A 32 -5.865 -2.438 0.905 1.00 0.00 C ATOM 467 C LYS A 32 -5.327 -1.095 1.390 1.00 0.00 C ATOM 468 O LYS A 32 -5.637 -0.638 2.471 1.00 0.00 O ATOM 469 CB LYS A 32 -7.246 -2.247 0.284 1.00 0.00 C ATOM 470 CG LYS A 32 -7.665 -3.549 -0.403 1.00 0.00 C ATOM 471 CD LYS A 32 -9.035 -3.368 -1.056 1.00 0.00 C ATOM 472 CE LYS A 32 -9.479 -4.692 -1.679 1.00 0.00 C ATOM 473 NZ LYS A 32 -8.595 -5.023 -2.835 1.00 0.00 N ATOM 0 H LYS A 32 -6.614 -3.120 2.786 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.181 -2.841 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.970 -1.976 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.225 -1.430 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.927 -3.829 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.702 -4.360 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.763 -3.040 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.986 -2.592 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.436 -5.488 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.515 -4.621 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.635 -6.045 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.917 -4.505 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.616 -4.750 -2.613 1.00 0.00 H new ATOM 487 N PHE A 33 -4.516 -0.465 0.579 1.00 0.00 N ATOM 488 CA PHE A 33 -3.927 0.860 0.951 1.00 0.00 C ATOM 489 C PHE A 33 -4.420 1.915 -0.036 1.00 0.00 C ATOM 490 O PHE A 33 -4.321 1.754 -1.236 1.00 0.00 O ATOM 491 CB PHE A 33 -2.406 0.764 0.880 1.00 0.00 C ATOM 492 CG PHE A 33 -1.909 -0.068 2.036 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.885 -1.464 1.931 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.478 0.553 3.213 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.430 -2.238 3.006 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.023 -0.220 4.286 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.998 -1.617 4.182 1.00 0.00 C ATOM 0 H PHE A 33 -4.233 -0.815 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.228 1.136 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.101 0.314 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.964 1.760 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.217 -1.943 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.497 1.630 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.413 -3.315 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.691 0.260 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.645 -2.214 5.010 1.00 0.00 H new ATOM 507 N TYR A 34 -4.953 2.995 0.467 1.00 0.00 N ATOM 508 CA TYR A 34 -5.467 4.075 -0.427 1.00 0.00 C ATOM 509 C TYR A 34 -4.480 5.241 -0.443 1.00 0.00 C ATOM 510 O TYR A 34 -4.024 5.702 0.586 1.00 0.00 O ATOM 511 CB TYR A 34 -6.821 4.559 0.090 1.00 0.00 C ATOM 512 CG TYR A 34 -7.482 5.402 -0.972 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.163 4.785 -2.027 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.406 6.798 -0.909 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.770 5.562 -3.018 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.011 7.576 -1.902 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.693 6.957 -2.957 1.00 0.00 C ATOM 518 OH TYR A 34 -9.291 7.724 -3.937 1.00 0.00 O ATOM 0 H TYR A 34 -5.056 3.178 1.465 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.581 3.686 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.453 3.708 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.689 5.140 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.220 3.708 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.881 7.274 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.298 5.085 -3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.952 8.653 -1.855 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.144 8.674 -3.744 1.00 0.00 H new ATOM 528 N PHE A 35 -4.151 5.714 -1.615 1.00 0.00 N ATOM 529 CA PHE A 35 -3.189 6.854 -1.746 1.00 0.00 C ATOM 530 C PHE A 35 -3.935 8.074 -2.273 1.00 0.00 C ATOM 531 O PHE A 35 -4.603 8.016 -3.290 1.00 0.00 O ATOM 532 CB PHE A 35 -2.091 6.465 -2.731 1.00 0.00 C ATOM 533 CG PHE A 35 -1.168 5.463 -2.076 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.582 4.136 -1.912 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.101 5.860 -1.635 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.728 3.206 -1.307 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.954 4.930 -1.032 1.00 0.00 C ATOM 538 CZ PHE A 35 0.539 3.603 -0.866 1.00 0.00 C ATOM 0 H PHE A 35 -4.511 5.356 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.747 7.085 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.530 6.038 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.530 7.348 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.560 3.830 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.421 6.884 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.047 2.182 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.933 5.236 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.197 2.886 -0.398 1.00 0.00 H new ATOM 548 N LEU A 36 -3.831 9.178 -1.582 1.00 0.00 N ATOM 549 CA LEU A 36 -4.540 10.420 -2.019 1.00 0.00 C ATOM 550 C LEU A 36 -3.574 11.372 -2.732 1.00 0.00 C ATOM 551 O LEU A 36 -2.551 11.758 -2.202 1.00 0.00 O ATOM 552 CB LEU A 36 -5.144 11.120 -0.795 1.00 0.00 C ATOM 553 CG LEU A 36 -5.959 12.349 -1.238 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.144 11.918 -2.121 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.478 13.088 0.001 1.00 0.00 C ATOM 0 H LEU A 36 -3.282 9.275 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.332 10.145 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.784 10.427 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.351 11.426 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.316 13.011 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.710 12.798 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.770 11.403 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.792 11.247 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.055 13.959 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.113 12.420 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.635 13.411 0.612 1.00 0.00 H new ATOM 567 N GLU A 37 -3.926 11.759 -3.931 1.00 0.00 N ATOM 568 CA GLU A 37 -3.084 12.703 -4.731 1.00 0.00 C ATOM 569 C GLU A 37 -1.590 12.434 -4.516 1.00 0.00 C ATOM 570 O GLU A 37 -0.850 13.304 -4.103 1.00 0.00 O ATOM 571 CB GLU A 37 -3.416 14.146 -4.326 1.00 0.00 C ATOM 572 CG GLU A 37 -4.873 14.448 -4.686 1.00 0.00 C ATOM 573 CD GLU A 37 -5.326 15.727 -3.980 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.472 16.535 -3.653 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.521 15.879 -3.778 1.00 0.00 O ATOM 0 H GLU A 37 -4.779 11.455 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.304 12.552 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.258 14.282 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.751 14.842 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.975 14.562 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.510 13.614 -4.392 1.00 0.00 H new ATOM 582 N PRO A 38 -1.149 11.236 -4.803 1.00 0.00 N ATOM 583 CA PRO A 38 0.283 10.849 -4.648 1.00 0.00 C ATOM 584 C PRO A 38 1.202 11.584 -5.637 1.00 0.00 C ATOM 585 O PRO A 38 0.809 11.959 -6.725 1.00 0.00 O ATOM 586 CB PRO A 38 0.292 9.327 -4.883 1.00 0.00 C ATOM 587 CG PRO A 38 -0.943 9.042 -5.683 1.00 0.00 C ATOM 588 CD PRO A 38 -1.969 10.118 -5.301 1.00 0.00 C ATOM 0 HA PRO A 38 0.672 11.122 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.189 9.017 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.283 8.783 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.729 9.073 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.326 8.045 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.571 10.417 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.658 9.758 -4.537 1.00 0.00 H new ATOM 596 N THR A 39 2.422 11.792 -5.242 1.00 0.00 N ATOM 597 CA THR A 39 3.406 12.506 -6.110 1.00 0.00 C ATOM 598 C THR A 39 3.911 11.572 -7.219 1.00 0.00 C ATOM 599 O THR A 39 4.460 12.008 -8.210 1.00 0.00 O ATOM 600 CB THR A 39 4.592 12.960 -5.246 1.00 0.00 C ATOM 601 OG1 THR A 39 5.765 13.023 -6.046 1.00 0.00 O ATOM 602 CG2 THR A 39 4.814 11.967 -4.097 1.00 0.00 C ATOM 0 H THR A 39 2.790 11.494 -4.339 1.00 0.00 H new ATOM 0 HA THR A 39 2.923 13.369 -6.570 1.00 0.00 H new ATOM 0 HB THR A 39 4.375 13.945 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.521 13.314 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.657 12.296 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.917 11.919 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.026 10.979 -4.506 1.00 0.00 H new ATOM 610 N ILE A 40 3.750 10.291 -7.049 1.00 0.00 N ATOM 611 CA ILE A 40 4.242 9.336 -8.084 1.00 0.00 C ATOM 612 C ILE A 40 3.496 9.575 -9.406 1.00 0.00 C ATOM 613 O ILE A 40 3.713 8.897 -10.393 1.00 0.00 O ATOM 614 CB ILE A 40 4.001 7.899 -7.582 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.914 6.921 -8.338 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.532 7.499 -7.791 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.392 7.146 -7.959 1.00 0.00 C ATOM 0 H ILE A 40 3.300 9.862 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 40 5.307 9.486 -8.259 1.00 0.00 H new ATOM 0 HB ILE A 40 4.230 7.859 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.627 5.895 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.785 7.053 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.377 6.482 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.887 8.181 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.288 7.550 -8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.019 6.442 -8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.682 8.165 -8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.521 6.990 -6.888 1.00 0.00 H new ATOM 629 N LEU A 41 2.622 10.538 -9.433 1.00 0.00 N ATOM 630 CA LEU A 41 1.864 10.827 -10.685 1.00 0.00 C ATOM 631 C LEU A 41 2.648 11.834 -11.525 1.00 0.00 C ATOM 632 O LEU A 41 2.317 12.100 -12.665 1.00 0.00 O ATOM 633 CB LEU A 41 0.502 11.422 -10.319 1.00 0.00 C ATOM 634 CG LEU A 41 -0.292 10.424 -9.466 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.619 11.063 -9.039 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.569 9.140 -10.275 1.00 0.00 C ATOM 0 H LEU A 41 2.397 11.141 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 41 1.723 9.908 -11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.638 12.354 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.055 11.663 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 41 0.290 10.165 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.185 10.356 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.419 11.962 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.198 11.326 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.133 8.438 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.146 9.388 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.376 8.685 -10.571 1.00 0.00 H new ATOM 648 N ALA A 42 3.690 12.391 -10.972 1.00 0.00 N ATOM 649 CA ALA A 42 4.518 13.385 -11.724 1.00 0.00 C ATOM 650 C ALA A 42 5.838 12.732 -12.138 1.00 0.00 C ATOM 651 O ALA A 42 6.457 13.111 -13.115 1.00 0.00 O ATOM 652 CB ALA A 42 4.814 14.581 -10.817 1.00 0.00 C ATOM 0 H ALA A 42 4.009 12.200 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 42 3.977 13.717 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.417 15.309 -11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.877 15.044 -10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.359 14.243 -9.936 1.00 0.00 H new ATOM 658 N LYS A 43 6.277 11.754 -11.398 1.00 0.00 N ATOM 659 CA LYS A 43 7.561 11.070 -11.735 1.00 0.00 C ATOM 660 C LYS A 43 7.300 9.928 -12.722 1.00 0.00 C ATOM 661 O LYS A 43 7.618 10.022 -13.890 1.00 0.00 O ATOM 662 CB LYS A 43 8.185 10.493 -10.461 1.00 0.00 C ATOM 663 CG LYS A 43 8.623 11.634 -9.538 1.00 0.00 C ATOM 664 CD LYS A 43 9.267 11.057 -8.272 1.00 0.00 C ATOM 665 CE LYS A 43 9.717 12.201 -7.360 1.00 0.00 C ATOM 666 NZ LYS A 43 10.349 11.641 -6.130 1.00 0.00 N ATOM 0 H LYS A 43 5.801 11.395 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 43 8.240 11.794 -12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.465 9.854 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.042 9.868 -10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.331 12.281 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.764 12.250 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.556 10.419 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.120 10.433 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.425 12.842 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.863 12.823 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.847 12.398 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.614 11.235 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.027 10.899 -6.395 1.00 0.00 H new ATOM 680 N GLU A 44 6.740 8.842 -12.252 1.00 0.00 N ATOM 681 CA GLU A 44 6.470 7.672 -13.152 1.00 0.00 C ATOM 682 C GLU A 44 4.970 7.541 -13.421 1.00 0.00 C ATOM 683 O GLU A 44 4.141 7.790 -12.568 1.00 0.00 O ATOM 684 CB GLU A 44 6.984 6.398 -12.481 1.00 0.00 C ATOM 685 CG GLU A 44 8.506 6.486 -12.307 1.00 0.00 C ATOM 686 CD GLU A 44 9.185 6.545 -13.680 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.924 5.668 -14.487 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.955 7.466 -13.898 1.00 0.00 O ATOM 0 H GLU A 44 6.456 8.712 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 44 6.982 7.825 -14.102 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.504 6.267 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.727 5.528 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.764 7.371 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.868 5.622 -11.749 1.00 0.00 H new ATOM 695 N SER A 45 4.625 7.149 -14.618 1.00 0.00 N ATOM 696 CA SER A 45 3.188 7.001 -14.989 1.00 0.00 C ATOM 697 C SER A 45 2.608 5.718 -14.388 1.00 0.00 C ATOM 698 O SER A 45 3.315 4.869 -13.881 1.00 0.00 O ATOM 699 CB SER A 45 3.069 6.944 -16.510 1.00 0.00 C ATOM 700 OG SER A 45 1.718 6.678 -16.869 1.00 0.00 O ATOM 0 H SER A 45 5.285 6.923 -15.362 1.00 0.00 H new ATOM 0 HA SER A 45 2.632 7.853 -14.599 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.394 7.888 -16.947 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.722 6.167 -16.908 1.00 0.00 H new ATOM 0 HG SER A 45 1.640 6.643 -17.845 1.00 0.00 H new ATOM 706 N THR A 46 1.311 5.576 -14.456 1.00 0.00 N ATOM 707 CA THR A 46 0.645 4.360 -13.908 1.00 0.00 C ATOM 708 C THR A 46 1.076 3.130 -14.713 1.00 0.00 C ATOM 709 O THR A 46 1.152 2.031 -14.202 1.00 0.00 O ATOM 710 CB THR A 46 -0.872 4.529 -14.016 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.223 4.786 -15.370 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.323 5.700 -13.140 1.00 0.00 C ATOM 0 H THR A 46 0.678 6.259 -14.873 1.00 0.00 H new ATOM 0 HA THR A 46 0.930 4.227 -12.864 1.00 0.00 H new ATOM 0 HB THR A 46 -1.363 3.616 -13.678 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.195 4.893 -15.441 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.404 5.818 -13.219 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.054 5.503 -12.102 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.833 6.614 -13.474 1.00 0.00 H new ATOM 720 N ASP A 47 1.353 3.312 -15.970 1.00 0.00 N ATOM 721 CA ASP A 47 1.780 2.166 -16.823 1.00 0.00 C ATOM 722 C ASP A 47 3.116 1.618 -16.312 1.00 0.00 C ATOM 723 O ASP A 47 3.367 0.429 -16.334 1.00 0.00 O ATOM 724 CB ASP A 47 1.955 2.652 -18.262 1.00 0.00 C ATOM 725 CG ASP A 47 2.375 1.480 -19.155 1.00 0.00 C ATOM 726 OD1 ASP A 47 2.623 0.413 -18.620 1.00 0.00 O ATOM 727 OD2 ASP A 47 2.439 1.672 -20.358 1.00 0.00 O ATOM 0 H ASP A 47 1.303 4.211 -16.450 1.00 0.00 H new ATOM 0 HA ASP A 47 1.025 1.381 -16.785 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.023 3.084 -18.626 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.708 3.440 -18.301 1.00 0.00 H new ATOM 732 N ASP A 48 3.976 2.484 -15.856 1.00 0.00 N ATOM 733 CA ASP A 48 5.300 2.029 -15.342 1.00 0.00 C ATOM 734 C ASP A 48 5.125 1.423 -13.948 1.00 0.00 C ATOM 735 O ASP A 48 6.036 0.841 -13.393 1.00 0.00 O ATOM 736 CB ASP A 48 6.244 3.233 -15.244 1.00 0.00 C ATOM 737 CG ASP A 48 6.632 3.712 -16.643 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.422 2.965 -17.584 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.135 4.818 -16.749 1.00 0.00 O ATOM 0 H ASP A 48 3.820 3.491 -15.816 1.00 0.00 H new ATOM 0 HA ASP A 48 5.715 1.283 -16.019 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.760 4.041 -14.696 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.138 2.959 -14.684 1.00 0.00 H new ATOM 744 N ILE A 49 3.958 1.558 -13.375 1.00 0.00 N ATOM 745 CA ILE A 49 3.716 0.998 -12.008 1.00 0.00 C ATOM 746 C ILE A 49 2.938 -0.315 -12.111 1.00 0.00 C ATOM 747 O ILE A 49 1.819 -0.361 -12.582 1.00 0.00 O ATOM 748 CB ILE A 49 2.916 2.006 -11.176 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.779 3.251 -10.938 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.534 1.378 -9.831 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.937 4.358 -10.299 1.00 0.00 C ATOM 0 H ILE A 49 3.158 2.033 -13.794 1.00 0.00 H new ATOM 0 HA ILE A 49 4.674 0.807 -11.525 1.00 0.00 H new ATOM 0 HB ILE A 49 2.007 2.284 -11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.620 3.002 -10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.197 3.600 -11.882 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.965 2.097 -9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.927 0.490 -10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.438 1.100 -9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.558 5.238 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.111 4.616 -10.962 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.541 4.009 -9.345 1.00 0.00 H new ATOM 763 N THR A 50 3.530 -1.386 -11.655 1.00 0.00 N ATOM 764 CA THR A 50 2.852 -2.714 -11.697 1.00 0.00 C ATOM 765 C THR A 50 3.169 -3.458 -10.397 1.00 0.00 C ATOM 766 O THR A 50 3.157 -4.670 -10.338 1.00 0.00 O ATOM 767 CB THR A 50 3.360 -3.519 -12.903 1.00 0.00 C ATOM 768 OG1 THR A 50 3.051 -4.892 -12.720 1.00 0.00 O ATOM 769 CG2 THR A 50 4.873 -3.349 -13.048 1.00 0.00 C ATOM 0 H THR A 50 4.466 -1.397 -11.250 1.00 0.00 H new ATOM 0 HA THR A 50 1.774 -2.584 -11.797 1.00 0.00 H new ATOM 0 HB THR A 50 2.873 -3.152 -13.807 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.458 -5.211 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.223 -3.924 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.108 -2.295 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.368 -3.707 -12.145 1.00 0.00 H new ATOM 777 N GLY A 51 3.451 -2.731 -9.346 1.00 0.00 N ATOM 778 CA GLY A 51 3.766 -3.393 -8.044 1.00 0.00 C ATOM 779 C GLY A 51 3.986 -2.337 -6.959 1.00 0.00 C ATOM 780 O GLY A 51 4.164 -1.170 -7.238 1.00 0.00 O ATOM 0 H GLY A 51 3.477 -1.711 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.950 -4.056 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.658 -4.011 -8.147 1.00 0.00 H new ATOM 784 N MET A 52 3.971 -2.746 -5.713 1.00 0.00 N ATOM 785 CA MET A 52 4.171 -1.778 -4.590 1.00 0.00 C ATOM 786 C MET A 52 5.138 -2.375 -3.568 1.00 0.00 C ATOM 787 O MET A 52 5.021 -3.521 -3.180 1.00 0.00 O ATOM 788 CB MET A 52 2.827 -1.495 -3.918 1.00 0.00 C ATOM 789 CG MET A 52 3.019 -0.428 -2.839 1.00 0.00 C ATOM 790 SD MET A 52 1.418 -0.035 -2.090 1.00 0.00 S ATOM 791 CE MET A 52 0.937 1.264 -3.253 1.00 0.00 C ATOM 0 H MET A 52 3.828 -3.714 -5.425 1.00 0.00 H new ATOM 0 HA MET A 52 4.585 -0.848 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.102 -1.155 -4.657 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.428 -2.408 -3.476 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.711 -0.786 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.460 0.469 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.131 1.458 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.492 2.175 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.160 0.942 -4.270 1.00 0.00 H new ATOM 801 N TYR A 53 6.101 -1.597 -3.133 1.00 0.00 N ATOM 802 CA TYR A 53 7.104 -2.098 -2.138 1.00 0.00 C ATOM 803 C TYR A 53 6.919 -1.368 -0.806 1.00 0.00 C ATOM 804 O TYR A 53 7.017 -0.157 -0.714 1.00 0.00 O ATOM 805 CB TYR A 53 8.514 -1.838 -2.681 1.00 0.00 C ATOM 806 CG TYR A 53 8.540 -2.122 -4.168 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.014 -3.320 -4.665 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.090 -1.183 -5.051 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.039 -3.581 -6.037 1.00 0.00 C ATOM 810 CE2 TYR A 53 9.113 -1.445 -6.426 1.00 0.00 C ATOM 811 CZ TYR A 53 8.587 -2.645 -6.919 1.00 0.00 C ATOM 812 OH TYR A 53 8.611 -2.905 -8.272 1.00 0.00 O ATOM 0 H TYR A 53 6.236 -0.630 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 53 6.963 -3.167 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.804 -0.804 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.237 -2.471 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.588 -4.044 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.496 -0.257 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.634 -4.507 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.537 -0.721 -7.107 1.00 0.00 H new ATOM 0 HH TYR A 53 9.025 -2.151 -8.743 1.00 0.00 H new ATOM 822 N LEU A 54 6.656 -2.116 0.229 1.00 0.00 N ATOM 823 CA LEU A 54 6.455 -1.519 1.580 1.00 0.00 C ATOM 824 C LEU A 54 7.766 -1.592 2.358 1.00 0.00 C ATOM 825 O LEU A 54 8.210 -2.652 2.742 1.00 0.00 O ATOM 826 CB LEU A 54 5.374 -2.312 2.317 1.00 0.00 C ATOM 827 CG LEU A 54 4.038 -2.235 1.532 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.911 -3.428 0.573 1.00 0.00 C ATOM 829 CD2 LEU A 54 2.858 -2.252 2.510 1.00 0.00 C ATOM 0 H LEU A 54 6.570 -3.132 0.196 1.00 0.00 H new ATOM 0 HA LEU A 54 6.146 -0.478 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.683 -3.352 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.239 -1.913 3.322 1.00 0.00 H new ATOM 0 HG LEU A 54 4.029 -1.309 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.969 -3.359 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.740 -3.416 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.935 -4.357 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.923 -2.198 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.881 -3.174 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.930 -1.397 3.182 1.00 0.00 H new ATOM 841 N ILE A 55 8.386 -0.470 2.590 1.00 0.00 N ATOM 842 CA ILE A 55 9.681 -0.461 3.340 1.00 0.00 C ATOM 843 C ILE A 55 9.425 -0.100 4.800 1.00 0.00 C ATOM 844 O ILE A 55 8.805 0.898 5.108 1.00 0.00 O ATOM 845 CB ILE A 55 10.618 0.570 2.706 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.044 0.080 1.314 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.862 0.753 3.579 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.834 0.022 0.369 1.00 0.00 C ATOM 0 H ILE A 55 8.054 0.447 2.293 1.00 0.00 H new ATOM 0 HA ILE A 55 10.141 -1.448 3.295 1.00 0.00 H new ATOM 0 HB ILE A 55 10.096 1.523 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.802 0.747 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.498 -0.908 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.523 1.488 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.564 1.100 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.386 -0.199 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.155 -0.327 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.090 -0.664 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.398 1.016 0.275 1.00 0.00 H new ATOM 860 N ASP A 56 9.901 -0.917 5.697 1.00 0.00 N ATOM 861 CA ASP A 56 9.695 -0.643 7.145 1.00 0.00 C ATOM 862 C ASP A 56 10.501 -1.637 7.985 1.00 0.00 C ATOM 863 O ASP A 56 10.516 -2.824 7.725 1.00 0.00 O ATOM 864 CB ASP A 56 8.208 -0.773 7.488 1.00 0.00 C ATOM 865 CG ASP A 56 7.996 -0.453 8.969 1.00 0.00 C ATOM 866 OD1 ASP A 56 8.984 -0.295 9.668 1.00 0.00 O ATOM 867 OD2 ASP A 56 6.852 -0.376 9.381 1.00 0.00 O ATOM 0 H ASP A 56 10.426 -1.766 5.488 1.00 0.00 H new ATOM 0 HA ASP A 56 10.032 0.370 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.621 -0.093 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.860 -1.783 7.270 1.00 0.00 H new ATOM 872 N ASP A 57 11.173 -1.140 8.990 1.00 0.00 N ATOM 873 CA ASP A 57 11.995 -2.013 9.881 1.00 0.00 C ATOM 874 C ASP A 57 13.042 -2.762 9.060 1.00 0.00 C ATOM 875 O ASP A 57 13.269 -3.935 9.265 1.00 0.00 O ATOM 876 CB ASP A 57 11.103 -3.010 10.629 1.00 0.00 C ATOM 877 CG ASP A 57 10.283 -2.260 11.680 1.00 0.00 C ATOM 878 OD1 ASP A 57 10.599 -1.108 11.936 1.00 0.00 O ATOM 879 OD2 ASP A 57 9.352 -2.844 12.206 1.00 0.00 O ATOM 0 H ASP A 57 11.187 -0.150 9.235 1.00 0.00 H new ATOM 0 HA ASP A 57 12.501 -1.383 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.441 -3.520 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.714 -3.776 11.106 1.00 0.00 H new ATOM 884 N GLU A 58 13.676 -2.078 8.139 1.00 0.00 N ATOM 885 CA GLU A 58 14.726 -2.712 7.281 1.00 0.00 C ATOM 886 C GLU A 58 14.076 -3.740 6.352 1.00 0.00 C ATOM 887 O GLU A 58 14.419 -3.855 5.190 1.00 0.00 O ATOM 888 CB GLU A 58 15.777 -3.409 8.160 1.00 0.00 C ATOM 889 CG GLU A 58 16.982 -3.788 7.304 1.00 0.00 C ATOM 890 CD GLU A 58 18.050 -4.436 8.190 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.731 -4.763 9.322 1.00 0.00 O ATOM 892 OE2 GLU A 58 19.163 -4.592 7.721 1.00 0.00 O ATOM 0 H GLU A 58 13.508 -1.091 7.942 1.00 0.00 H new ATOM 0 HA GLU A 58 15.214 -1.939 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.086 -2.748 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.349 -4.300 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.680 -4.478 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.388 -2.903 6.815 1.00 0.00 H new ATOM 899 N GLY A 59 13.144 -4.491 6.864 1.00 0.00 N ATOM 900 CA GLY A 59 12.465 -5.526 6.039 1.00 0.00 C ATOM 901 C GLY A 59 11.576 -4.868 4.987 1.00 0.00 C ATOM 902 O GLY A 59 11.097 -3.764 5.154 1.00 0.00 O ATOM 0 H GLY A 59 12.820 -4.431 7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.208 -6.158 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.865 -6.174 6.678 1.00 0.00 H new ATOM 906 N GLU A 60 11.350 -5.552 3.896 1.00 0.00 N ATOM 907 CA GLU A 60 10.492 -4.989 2.814 1.00 0.00 C ATOM 908 C GLU A 60 9.594 -6.083 2.240 1.00 0.00 C ATOM 909 O GLU A 60 9.948 -7.246 2.206 1.00 0.00 O ATOM 910 CB GLU A 60 11.378 -4.413 1.706 1.00 0.00 C ATOM 911 CG GLU A 60 12.253 -5.517 1.107 1.00 0.00 C ATOM 912 CD GLU A 60 13.179 -4.910 0.050 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.669 -4.355 -0.908 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.384 -5.011 0.218 1.00 0.00 O ATOM 0 H GLU A 60 11.725 -6.482 3.708 1.00 0.00 H new ATOM 0 HA GLU A 60 9.867 -4.197 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.758 -3.967 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.006 -3.618 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.841 -5.996 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.628 -6.290 0.659 1.00 0.00 H new ATOM 921 N ILE A 61 8.425 -5.705 1.788 1.00 0.00 N ATOM 922 CA ILE A 61 7.465 -6.692 1.202 1.00 0.00 C ATOM 923 C ILE A 61 7.180 -6.314 -0.250 1.00 0.00 C ATOM 924 O ILE A 61 6.937 -5.169 -0.572 1.00 0.00 O ATOM 925 CB ILE A 61 6.169 -6.675 2.011 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.467 -7.157 3.434 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.145 -7.605 1.357 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.240 -6.951 4.322 1.00 0.00 C ATOM 0 H ILE A 61 8.090 -4.742 1.800 1.00 0.00 H new ATOM 0 HA ILE A 61 7.894 -7.694 1.234 1.00 0.00 H new ATOM 0 HB ILE A 61 5.764 -5.663 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.743 -8.211 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.317 -6.610 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.221 -7.592 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.942 -7.266 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.541 -8.620 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.460 -7.296 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.983 -5.892 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.400 -7.518 3.920 1.00 0.00 H new ATOM 940 N ILE A 62 7.228 -7.277 -1.133 1.00 0.00 N ATOM 941 CA ILE A 62 6.982 -6.997 -2.580 1.00 0.00 C ATOM 942 C ILE A 62 5.575 -7.448 -2.959 1.00 0.00 C ATOM 943 O ILE A 62 5.212 -8.596 -2.801 1.00 0.00 O ATOM 944 CB ILE A 62 8.005 -7.765 -3.417 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.406 -7.553 -2.828 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.973 -7.269 -4.864 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.691 -6.052 -2.681 1.00 0.00 C ATOM 0 H ILE A 62 7.428 -8.253 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 62 7.078 -5.927 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 62 7.760 -8.827 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.479 -8.042 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.154 -8.012 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.705 -7.821 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.978 -7.426 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.214 -6.206 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.687 -5.910 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.637 -5.574 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.951 -5.605 -2.017 1.00 0.00 H new ATOM 959 N THR A 63 4.781 -6.536 -3.459 1.00 0.00 N ATOM 960 CA THR A 63 3.381 -6.873 -3.860 1.00 0.00 C ATOM 961 C THR A 63 3.173 -6.510 -5.326 1.00 0.00 C ATOM 962 O THR A 63 3.413 -5.395 -5.747 1.00 0.00 O ATOM 963 CB THR A 63 2.402 -6.079 -2.997 1.00 0.00 C ATOM 964 OG1 THR A 63 2.577 -6.445 -1.635 1.00 0.00 O ATOM 965 CG2 THR A 63 0.968 -6.390 -3.430 1.00 0.00 C ATOM 0 H THR A 63 5.045 -5.562 -3.608 1.00 0.00 H new ATOM 0 HA THR A 63 3.208 -7.940 -3.721 1.00 0.00 H new ATOM 0 HB THR A 63 2.591 -5.012 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.513 -5.646 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.271 -5.823 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.836 -6.113 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.775 -7.456 -3.310 1.00 0.00 H new ATOM 973 N ARG A 64 2.725 -7.454 -6.107 1.00 0.00 N ATOM 974 CA ARG A 64 2.490 -7.193 -7.557 1.00 0.00 C ATOM 975 C ARG A 64 0.996 -6.977 -7.793 1.00 0.00 C ATOM 976 O ARG A 64 0.432 -7.450 -8.759 1.00 0.00 O ATOM 977 CB ARG A 64 2.975 -8.397 -8.374 1.00 0.00 C ATOM 978 CG ARG A 64 3.193 -7.982 -9.843 1.00 0.00 C ATOM 979 CD ARG A 64 4.613 -7.428 -10.027 1.00 0.00 C ATOM 980 NE ARG A 64 5.597 -8.535 -9.836 1.00 0.00 N ATOM 981 CZ ARG A 64 6.856 -8.266 -9.612 1.00 0.00 C ATOM 982 NH1 ARG A 64 7.267 -7.029 -9.550 1.00 0.00 N ATOM 983 NH2 ARG A 64 7.707 -9.241 -9.447 1.00 0.00 N ATOM 0 H ARG A 64 2.510 -8.403 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 64 3.038 -6.303 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.904 -8.782 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.243 -9.203 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.041 -8.840 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.460 -7.228 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.722 -6.995 -11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.801 -6.629 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 64 5.285 -9.505 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.604 -6.264 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.251 -6.827 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.389 -10.209 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.691 -9.035 -9.272 1.00 0.00 H new ATOM 997 N GLU A 65 0.353 -6.261 -6.912 1.00 0.00 N ATOM 998 CA GLU A 65 -1.113 -5.998 -7.062 1.00 0.00 C ATOM 999 C GLU A 65 -1.373 -4.514 -6.832 1.00 0.00 C ATOM 1000 O GLU A 65 -1.677 -4.083 -5.738 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.892 -6.827 -6.041 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.788 -8.303 -6.423 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.476 -9.159 -5.358 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.025 -8.590 -4.431 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.438 -10.371 -5.489 1.00 0.00 O ATOM 0 H GLU A 65 0.781 -5.842 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.439 -6.277 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.491 -6.667 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.936 -6.515 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.252 -8.471 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.741 -8.592 -6.516 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.249 -3.728 -7.872 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.478 -2.253 -7.754 1.00 0.00 C ATOM 1014 C VAL A 66 -2.588 -1.842 -8.714 1.00 0.00 C ATOM 1015 O VAL A 66 -2.591 -2.202 -9.874 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.186 -1.496 -8.108 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.723 -1.443 -6.881 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.541 -2.221 -9.247 1.00 0.00 C ATOM 0 H VAL A 66 -0.996 -4.047 -8.807 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.766 -2.010 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.436 -0.483 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.639 -0.907 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.209 -0.927 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.970 -2.457 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.456 -1.683 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.790 -3.234 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.106 -2.262 -10.124 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.532 -1.080 -8.226 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.663 -0.617 -9.085 1.00 0.00 C ATOM 1030 C LYS A 67 -4.713 0.906 -9.062 1.00 0.00 C ATOM 1031 O LYS A 67 -4.610 1.536 -8.026 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.975 -1.178 -8.543 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.987 -2.696 -8.728 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.354 -3.257 -8.323 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.541 -3.160 -6.804 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.660 -4.048 -6.387 1.00 0.00 N ATOM 0 H LYS A 67 -3.568 -0.756 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.517 -0.965 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.083 -0.927 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.820 -0.729 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.774 -2.947 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.203 -3.152 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.146 -2.705 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.437 -4.296 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.622 -3.450 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.753 -2.130 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.046 -3.717 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.407 -4.028 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.309 -5.021 -6.279 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.865 1.497 -10.214 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.913 2.986 -10.308 1.00 0.00 C ATOM 1052 C GLY A 68 -6.364 3.464 -10.288 1.00 0.00 C ATOM 1053 O GLY A 68 -7.211 2.949 -10.989 1.00 0.00 O ATOM 0 H GLY A 68 -4.959 1.008 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.364 3.429 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.425 3.317 -11.225 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.646 4.460 -9.494 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.035 5.008 -9.413 1.00 0.00 C ATOM 1059 C LYS A 69 -8.073 6.345 -10.141 1.00 0.00 C ATOM 1060 O LYS A 69 -7.497 7.330 -9.709 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.412 5.194 -7.944 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.356 3.840 -7.222 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.435 2.898 -7.780 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.687 1.759 -6.797 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.788 0.902 -7.317 1.00 0.00 N ATOM 0 H LYS A 69 -5.968 4.924 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.745 4.324 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.729 5.899 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.413 5.618 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.370 3.392 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.506 3.983 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.358 3.451 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.117 2.496 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.781 1.168 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.952 2.159 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.965 0.123 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.652 1.472 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.517 0.512 -8.242 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.744 6.371 -11.264 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.826 7.621 -12.075 1.00 0.00 C ATOM 1081 C PHE A 70 -10.205 8.256 -11.901 1.00 0.00 C ATOM 1082 O PHE A 70 -11.216 7.579 -11.870 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.625 7.263 -13.548 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.344 6.476 -13.708 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.368 5.079 -13.607 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.137 7.139 -13.957 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.184 4.347 -13.755 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -4.953 6.404 -14.106 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.978 5.008 -14.003 1.00 0.00 C ATOM 0 H PHE A 70 -9.243 5.572 -11.656 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.060 8.323 -11.747 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.471 6.678 -13.909 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.584 8.170 -14.151 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.299 4.567 -13.415 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.118 8.216 -14.034 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.203 3.270 -13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.021 6.915 -14.300 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.065 4.442 -14.115 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.246 9.560 -11.797 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.548 10.281 -11.632 1.00 0.00 C ATOM 1101 C ILE A 71 -11.769 11.215 -12.824 1.00 0.00 C ATOM 1102 O ILE A 71 -10.936 12.038 -13.151 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.514 11.096 -10.338 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.411 10.142 -9.142 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.795 11.924 -10.223 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.150 10.938 -7.860 1.00 0.00 C ATOM 0 H ILE A 71 -9.424 10.164 -11.819 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.363 9.559 -11.585 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.652 11.763 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.333 9.569 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.606 9.426 -9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.771 12.505 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.870 12.599 -11.075 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.658 11.259 -10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.078 10.253 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.216 11.491 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.970 11.637 -7.692 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.895 11.081 -13.469 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.221 11.937 -14.651 1.00 0.00 C ATOM 1120 C ASN A 72 -12.129 11.800 -15.721 1.00 0.00 C ATOM 1121 O ASN A 72 -11.833 12.728 -16.448 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.355 13.403 -14.219 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.614 13.571 -13.365 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.638 12.975 -13.643 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -14.580 14.359 -12.328 1.00 0.00 N ATOM 0 H ASN A 72 -13.617 10.403 -13.224 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.170 11.606 -15.073 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.475 13.708 -13.652 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.409 14.048 -15.096 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.412 14.476 -11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.722 14.859 -12.095 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.543 10.640 -15.831 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.486 10.428 -16.862 1.00 0.00 C ATOM 1134 C GLY A 73 -9.217 11.176 -16.468 1.00 0.00 C ATOM 1135 O GLY A 73 -8.382 11.470 -17.300 1.00 0.00 O ATOM 0 H GLY A 73 -11.750 9.827 -15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.274 9.364 -16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.838 10.777 -17.833 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.061 11.488 -15.208 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.834 12.217 -14.760 1.00 0.00 C ATOM 1141 C ARG A 74 -7.292 11.568 -13.467 1.00 0.00 C ATOM 1142 O ARG A 74 -7.980 11.527 -12.468 1.00 0.00 O ATOM 1143 CB ARG A 74 -8.173 13.680 -14.491 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.872 14.456 -14.251 1.00 0.00 C ATOM 1145 CD ARG A 74 -7.197 15.916 -13.933 1.00 0.00 C ATOM 1146 NE ARG A 74 -7.887 15.994 -12.610 1.00 0.00 N ATOM 1147 CZ ARG A 74 -7.202 15.916 -11.502 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -5.905 15.774 -11.530 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -7.822 15.982 -10.356 1.00 0.00 N ATOM 0 H ARG A 74 -9.729 11.270 -14.469 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.077 12.161 -15.542 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.714 14.103 -15.338 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.826 13.762 -13.622 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.317 14.009 -13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.234 14.399 -15.133 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.282 16.508 -13.914 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.832 16.337 -14.712 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.900 16.109 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.417 15.723 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.380 15.714 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.836 16.094 -10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.293 15.922 -9.486 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.069 11.070 -13.473 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.459 10.433 -12.265 1.00 0.00 C ATOM 1165 C PRO A 75 -5.600 11.305 -11.009 1.00 0.00 C ATOM 1166 O PRO A 75 -5.430 12.507 -11.044 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.976 10.274 -12.646 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.946 10.239 -14.141 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.150 11.043 -14.625 1.00 0.00 C ATOM 0 HA PRO A 75 -5.949 9.492 -12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.382 11.103 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.559 9.360 -12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.018 10.667 -14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.995 9.213 -14.505 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.859 12.050 -14.924 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.616 10.575 -15.492 1.00 0.00 H new ATOM 1177 N THR A 76 -5.916 10.696 -9.898 1.00 0.00 N ATOM 1178 CA THR A 76 -6.074 11.468 -8.634 1.00 0.00 C ATOM 1179 C THR A 76 -5.652 10.598 -7.447 1.00 0.00 C ATOM 1180 O THR A 76 -5.131 11.085 -6.464 1.00 0.00 O ATOM 1181 CB THR A 76 -7.542 11.869 -8.465 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.053 12.341 -9.705 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.654 12.972 -7.410 1.00 0.00 C ATOM 0 H THR A 76 -6.072 9.692 -9.812 1.00 0.00 H new ATOM 0 HA THR A 76 -5.449 12.360 -8.674 1.00 0.00 H new ATOM 0 HB THR A 76 -8.119 11.002 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.855 12.881 -9.544 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.699 13.257 -7.291 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.267 12.607 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.076 13.840 -7.728 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.888 9.312 -7.514 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.504 8.435 -6.364 1.00 0.00 C ATOM 1193 C ALA A 77 -5.141 7.034 -6.856 1.00 0.00 C ATOM 1194 O ALA A 77 -5.523 6.617 -7.930 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.674 8.339 -5.382 1.00 0.00 C ATOM 0 H ALA A 77 -6.324 8.835 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.637 8.870 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.394 7.700 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.922 9.334 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.540 7.914 -5.889 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.399 6.308 -6.059 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.983 4.922 -6.443 1.00 0.00 C ATOM 1203 C ILE A 78 -4.272 3.971 -5.282 1.00 0.00 C ATOM 1204 O ILE A 78 -4.111 4.314 -4.129 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.488 4.909 -6.756 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.231 5.783 -7.984 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.036 3.475 -7.042 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.726 5.978 -8.174 1.00 0.00 C ATOM 0 H ILE A 78 -4.059 6.619 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.539 4.602 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.929 5.296 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.662 5.317 -8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.720 6.750 -7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.969 3.467 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.228 2.852 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.588 3.083 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.548 6.601 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.308 6.463 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.248 5.008 -8.315 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.707 2.774 -5.587 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.025 1.778 -4.514 1.00 0.00 C ATOM 1222 C GLU A 79 -4.237 0.494 -4.762 1.00 0.00 C ATOM 1223 O GLU A 79 -3.956 0.126 -5.884 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.521 1.463 -4.537 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.849 0.488 -3.404 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.356 0.237 -3.351 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.034 0.617 -4.294 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.807 -0.327 -2.370 1.00 0.00 O ATOM 0 H GLU A 79 -4.857 2.440 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.753 2.193 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.099 2.380 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.798 1.029 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.320 -0.453 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.506 0.894 -2.453 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.880 -0.193 -3.710 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.106 -1.462 -3.858 1.00 0.00 C ATOM 1237 C ALA A 80 -3.631 -2.485 -2.854 1.00 0.00 C ATOM 1238 O ALA A 80 -4.070 -2.140 -1.777 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.630 -1.190 -3.572 1.00 0.00 C ATOM 0 H ALA A 80 -4.092 0.071 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.218 -1.846 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.062 -2.114 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.253 -0.449 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.520 -0.812 -2.555 1.00 0.00 H new ATOM 1245 N THR A 81 -3.592 -3.746 -3.208 1.00 0.00 N ATOM 1246 CA THR A 81 -4.093 -4.819 -2.291 1.00 0.00 C ATOM 1247 C THR A 81 -2.953 -5.774 -1.939 1.00 0.00 C ATOM 1248 O THR A 81 -2.250 -6.267 -2.798 1.00 0.00 O ATOM 1249 CB THR A 81 -5.207 -5.595 -2.987 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.254 -4.699 -3.332 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.745 -6.669 -2.042 1.00 0.00 C ATOM 0 H THR A 81 -3.231 -4.082 -4.101 1.00 0.00 H new ATOM 0 HA THR A 81 -4.475 -4.364 -1.377 1.00 0.00 H new ATOM 0 HB THR A 81 -4.818 -6.068 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.493 -4.822 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.541 -7.224 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.940 -7.352 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.138 -6.197 -1.141 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.775 -6.039 -0.669 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.688 -6.965 -0.225 1.00 0.00 C ATOM 1261 C VAL A 82 -2.298 -8.295 0.215 1.00 0.00 C ATOM 1262 O VAL A 82 -3.168 -8.349 1.062 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.939 -6.330 0.943 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.134 -7.298 1.442 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.273 -5.034 0.471 1.00 0.00 C ATOM 0 H VAL A 82 -3.341 -5.650 0.085 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.997 -7.144 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.637 -6.110 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.671 -6.847 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.337 -8.224 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.834 -7.513 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.263 -4.577 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.427 -5.257 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.035 -4.345 0.108 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.837 -9.368 -0.364 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.371 -10.714 -0.007 1.00 0.00 C ATOM 1277 C ILE A 83 -1.652 -11.238 1.236 1.00 0.00 C ATOM 1278 O ILE A 83 -0.441 -11.205 1.327 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.145 -11.673 -1.178 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.642 -11.022 -2.477 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.908 -12.979 -0.939 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.083 -10.528 -2.304 1.00 0.00 C ATOM 0 H ILE A 83 -1.106 -9.371 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.438 -10.641 0.202 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.080 -11.890 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.994 -10.188 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.592 -11.741 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.742 -13.656 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.553 -13.445 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.973 -12.767 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.424 -10.068 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.729 -11.370 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.122 -9.793 -1.500 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.397 -11.721 2.195 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.789 -12.258 3.452 1.00 0.00 C ATOM 1296 C LEU A 84 -2.215 -13.718 3.622 1.00 0.00 C ATOM 1297 O LEU A 84 -2.645 -14.138 4.678 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.282 -11.425 4.638 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.909 -9.949 4.423 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.493 -9.108 5.563 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.379 -9.790 4.403 1.00 0.00 C ATOM 0 H LEU A 84 -3.415 -11.768 2.162 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.702 -12.203 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.362 -11.526 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.837 -11.792 5.563 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.315 -9.612 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.230 -8.061 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.578 -9.212 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.087 -9.452 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.124 -8.741 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.035 -10.129 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.038 -10.387 3.592 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.093 -14.494 2.581 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.477 -15.933 2.659 1.00 0.00 C ATOM 1315 C ASN A 85 -1.555 -16.654 3.647 1.00 0.00 C ATOM 1316 O ASN A 85 -1.977 -17.502 4.409 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.324 -16.568 1.274 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.402 -16.028 0.327 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.548 -15.633 0.810 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -3.196 -15.968 -0.870 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.741 -14.191 1.673 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.510 -16.019 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.334 -16.351 0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.406 -17.652 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.301 -16.276 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.918 -15.609 -1.494 1.00 0.00 H new ATOM 1327 N SER A 86 -0.293 -16.335 3.624 1.00 0.00 N ATOM 1328 CA SER A 86 0.670 -17.010 4.543 1.00 0.00 C ATOM 1329 C SER A 86 0.489 -16.488 5.974 1.00 0.00 C ATOM 1330 O SER A 86 0.189 -15.334 6.196 1.00 0.00 O ATOM 1331 CB SER A 86 2.095 -16.734 4.065 1.00 0.00 C ATOM 1332 OG SER A 86 2.140 -16.834 2.651 1.00 0.00 O ATOM 0 H SER A 86 0.117 -15.634 3.007 1.00 0.00 H new ATOM 0 HA SER A 86 0.483 -18.084 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.411 -15.740 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.787 -17.447 4.514 1.00 0.00 H new ATOM 0 HG SER A 86 3.052 -16.656 2.339 1.00 0.00 H new ATOM 1338 N GLN A 87 0.673 -17.343 6.943 1.00 0.00 N ATOM 1339 CA GLN A 87 0.510 -16.919 8.363 1.00 0.00 C ATOM 1340 C GLN A 87 1.698 -16.038 8.795 1.00 0.00 C ATOM 1341 O GLN A 87 1.513 -14.992 9.382 1.00 0.00 O ATOM 1342 CB GLN A 87 0.416 -18.181 9.256 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.919 -18.212 10.005 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.970 -17.036 10.980 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -1.881 -16.230 10.929 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -0.024 -16.893 11.867 1.00 0.00 N ATOM 0 H GLN A 87 0.930 -18.321 6.812 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.402 -16.332 8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.516 -19.076 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.240 -18.191 9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.748 -18.152 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.026 -19.153 10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.740 -17.567 11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.048 -16.107 12.516 1.00 0.00 H new ATOM 1355 N PRO A 88 2.905 -16.446 8.513 1.00 0.00 N ATOM 1356 CA PRO A 88 4.112 -15.657 8.893 1.00 0.00 C ATOM 1357 C PRO A 88 4.032 -14.223 8.356 1.00 0.00 C ATOM 1358 O PRO A 88 4.523 -13.289 8.957 1.00 0.00 O ATOM 1359 CB PRO A 88 5.277 -16.419 8.235 1.00 0.00 C ATOM 1360 CG PRO A 88 4.773 -17.812 8.030 1.00 0.00 C ATOM 1361 CD PRO A 88 3.264 -17.690 7.808 1.00 0.00 C ATOM 0 HA PRO A 88 4.222 -15.564 9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.562 -15.961 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.162 -16.411 8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.256 -18.279 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.990 -18.436 8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.019 -17.634 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.729 -18.549 8.214 1.00 0.00 H new ATOM 1369 N GLU A 89 3.416 -14.056 7.218 1.00 0.00 N ATOM 1370 CA GLU A 89 3.296 -12.698 6.614 1.00 0.00 C ATOM 1371 C GLU A 89 2.390 -11.828 7.493 1.00 0.00 C ATOM 1372 O GLU A 89 2.622 -10.651 7.668 1.00 0.00 O ATOM 1373 CB GLU A 89 2.676 -12.829 5.224 1.00 0.00 C ATOM 1374 CG GLU A 89 2.742 -11.487 4.492 1.00 0.00 C ATOM 1375 CD GLU A 89 4.190 -11.182 4.109 1.00 0.00 C ATOM 1376 OE1 GLU A 89 5.026 -12.048 4.304 1.00 0.00 O ATOM 1377 OE2 GLU A 89 4.436 -10.090 3.626 1.00 0.00 O ATOM 0 H GLU A 89 2.988 -14.807 6.677 1.00 0.00 H new ATOM 0 HA GLU A 89 4.281 -12.237 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.205 -13.591 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.640 -13.156 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.118 -11.517 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.349 -10.694 5.129 1.00 0.00 H new ATOM 1384 N TRP A 90 1.355 -12.402 8.036 1.00 0.00 N ATOM 1385 CA TRP A 90 0.426 -11.615 8.902 1.00 0.00 C ATOM 1386 C TRP A 90 1.196 -11.039 10.097 1.00 0.00 C ATOM 1387 O TRP A 90 0.990 -9.910 10.499 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.697 -12.543 9.411 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.854 -12.517 8.467 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.165 -13.494 7.586 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.851 -11.473 8.297 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.295 -13.114 6.884 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.752 -11.874 7.285 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.053 -10.226 8.914 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.824 -11.067 6.904 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.130 -9.412 8.533 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.011 -9.829 7.526 1.00 0.00 C ATOM 0 H TRP A 90 1.109 -13.385 7.919 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.005 -10.796 8.326 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.321 -13.561 9.509 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.020 -12.226 10.403 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.622 -14.418 7.452 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.736 -13.680 6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.375 -9.893 9.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.505 -11.396 6.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.281 -8.459 9.018 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.834 -9.195 7.231 1.00 0.00 H new ATOM 1408 N ASP A 91 2.065 -11.810 10.675 1.00 0.00 N ATOM 1409 CA ASP A 91 2.833 -11.314 11.851 1.00 0.00 C ATOM 1410 C ASP A 91 3.695 -10.120 11.426 1.00 0.00 C ATOM 1411 O ASP A 91 3.739 -9.098 12.085 1.00 0.00 O ATOM 1412 CB ASP A 91 3.742 -12.439 12.359 1.00 0.00 C ATOM 1413 CG ASP A 91 2.936 -13.426 13.210 1.00 0.00 C ATOM 1414 OD1 ASP A 91 1.771 -13.162 13.450 1.00 0.00 O ATOM 1415 OD2 ASP A 91 3.505 -14.429 13.612 1.00 0.00 O ATOM 0 H ASP A 91 2.280 -12.764 10.387 1.00 0.00 H new ATOM 0 HA ASP A 91 2.147 -11.005 12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.195 -12.960 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.557 -12.020 12.949 1.00 0.00 H new ATOM 1420 N ARG A 92 4.377 -10.248 10.327 1.00 0.00 N ATOM 1421 CA ARG A 92 5.237 -9.132 9.835 1.00 0.00 C ATOM 1422 C ARG A 92 4.350 -7.986 9.346 1.00 0.00 C ATOM 1423 O ARG A 92 4.615 -6.824 9.585 1.00 0.00 O ATOM 1424 CB ARG A 92 6.105 -9.637 8.680 1.00 0.00 C ATOM 1425 CG ARG A 92 7.047 -8.520 8.223 1.00 0.00 C ATOM 1426 CD ARG A 92 8.021 -9.060 7.169 1.00 0.00 C ATOM 1427 NE ARG A 92 7.260 -9.492 5.956 1.00 0.00 N ATOM 1428 CZ ARG A 92 7.870 -10.118 4.985 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.149 -10.367 5.058 1.00 0.00 N ATOM 1430 NH2 ARG A 92 7.195 -10.496 3.934 1.00 0.00 N ATOM 0 H ARG A 92 4.378 -11.083 9.741 1.00 0.00 H new ATOM 0 HA ARG A 92 5.876 -8.776 10.643 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.681 -10.506 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.475 -9.958 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.471 -7.693 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.601 -8.127 9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.746 -8.291 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.584 -9.900 7.576 1.00 0.00 H new ATOM 0 HE ARG A 92 6.261 -9.297 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.680 -10.072 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.618 -10.856 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.195 -10.302 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.667 -10.985 3.173 1.00 0.00 H new ATOM 1444 N PHE A 93 3.298 -8.315 8.656 1.00 0.00 N ATOM 1445 CA PHE A 93 2.373 -7.267 8.134 1.00 0.00 C ATOM 1446 C PHE A 93 1.776 -6.487 9.307 1.00 0.00 C ATOM 1447 O PHE A 93 1.698 -5.273 9.290 1.00 0.00 O ATOM 1448 CB PHE A 93 1.244 -7.937 7.349 1.00 0.00 C ATOM 1449 CG PHE A 93 0.292 -6.882 6.829 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.629 -6.135 5.695 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.924 -6.650 7.485 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.248 -5.155 5.216 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.802 -5.670 7.006 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.462 -4.923 5.872 1.00 0.00 C ATOM 0 H PHE A 93 3.034 -9.273 8.427 1.00 0.00 H new ATOM 0 HA PHE A 93 2.922 -6.586 7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.656 -8.511 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.710 -8.640 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.566 -6.315 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.184 -7.227 8.360 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.012 -4.578 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.740 -5.491 7.511 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.138 -4.166 5.503 1.00 0.00 H new ATOM 1464 N MET A 94 1.351 -7.179 10.323 1.00 0.00 N ATOM 1465 CA MET A 94 0.758 -6.489 11.505 1.00 0.00 C ATOM 1466 C MET A 94 1.806 -5.564 12.129 1.00 0.00 C ATOM 1467 O MET A 94 1.516 -4.450 12.519 1.00 0.00 O ATOM 1468 CB MET A 94 0.327 -7.536 12.535 1.00 0.00 C ATOM 1469 CG MET A 94 -0.335 -6.839 13.724 1.00 0.00 C ATOM 1470 SD MET A 94 -0.969 -8.083 14.878 1.00 0.00 S ATOM 1471 CE MET A 94 -2.649 -8.177 14.212 1.00 0.00 C ATOM 0 H MET A 94 1.388 -8.196 10.389 1.00 0.00 H new ATOM 0 HA MET A 94 -0.107 -5.903 11.194 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.367 -8.243 12.082 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.191 -8.109 12.871 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.385 -6.194 14.228 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.148 -6.201 13.378 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.228 -8.900 14.786 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.123 -7.198 14.280 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.610 -8.490 13.169 1.00 0.00 H new ATOM 1481 N ARG A 95 3.018 -6.020 12.226 1.00 0.00 N ATOM 1482 CA ARG A 95 4.092 -5.172 12.817 1.00 0.00 C ATOM 1483 C ARG A 95 4.357 -3.983 11.889 1.00 0.00 C ATOM 1484 O ARG A 95 4.572 -2.869 12.328 1.00 0.00 O ATOM 1485 CB ARG A 95 5.369 -6.012 12.953 1.00 0.00 C ATOM 1486 CG ARG A 95 5.196 -7.078 14.050 1.00 0.00 C ATOM 1487 CD ARG A 95 5.528 -6.485 15.427 1.00 0.00 C ATOM 1488 NE ARG A 95 6.937 -5.986 15.426 1.00 0.00 N ATOM 1489 CZ ARG A 95 7.928 -6.808 15.640 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.706 -8.078 15.851 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.154 -6.356 15.639 1.00 0.00 N ATOM 0 H ARG A 95 3.316 -6.947 11.921 1.00 0.00 H new ATOM 0 HA ARG A 95 3.786 -4.807 13.798 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.598 -6.493 12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.213 -5.366 13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.172 -7.452 14.045 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.847 -7.928 13.846 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.842 -5.670 15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.399 -7.241 16.202 1.00 0.00 H new ATOM 0 HE ARG A 95 7.125 -4.998 15.257 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.751 -8.436 15.850 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.488 -8.712 16.017 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.332 -5.366 15.472 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.933 -6.993 15.806 1.00 0.00 H new ATOM 1505 N PHE A 96 4.342 -4.216 10.610 1.00 0.00 N ATOM 1506 CA PHE A 96 4.586 -3.112 9.636 1.00 0.00 C ATOM 1507 C PHE A 96 3.469 -2.069 9.762 1.00 0.00 C ATOM 1508 O PHE A 96 3.709 -0.880 9.815 1.00 0.00 O ATOM 1509 CB PHE A 96 4.589 -3.697 8.209 1.00 0.00 C ATOM 1510 CG PHE A 96 5.975 -4.177 7.841 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.733 -4.913 8.760 1.00 0.00 C ATOM 1512 CD2 PHE A 96 6.506 -3.880 6.577 1.00 0.00 C ATOM 1513 CE1 PHE A 96 8.016 -5.347 8.420 1.00 0.00 C ATOM 1514 CE2 PHE A 96 7.790 -4.317 6.238 1.00 0.00 C ATOM 1515 CZ PHE A 96 8.545 -5.049 7.160 1.00 0.00 C ATOM 0 H PHE A 96 4.170 -5.130 10.191 1.00 0.00 H new ATOM 0 HA PHE A 96 5.546 -2.639 9.841 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.882 -4.524 8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.258 -2.940 7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.325 -5.145 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.923 -3.314 5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.600 -5.913 9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.199 -4.089 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.538 -5.385 6.899 1.00 0.00 H new ATOM 1525 N MET A 97 2.253 -2.520 9.805 1.00 0.00 N ATOM 1526 CA MET A 97 1.104 -1.579 9.928 1.00 0.00 C ATOM 1527 C MET A 97 1.148 -0.889 11.291 1.00 0.00 C ATOM 1528 O MET A 97 0.844 0.281 11.423 1.00 0.00 O ATOM 1529 CB MET A 97 -0.203 -2.363 9.795 1.00 0.00 C ATOM 1530 CG MET A 97 -1.387 -1.398 9.863 1.00 0.00 C ATOM 1531 SD MET A 97 -2.924 -2.303 9.544 1.00 0.00 S ATOM 1532 CE MET A 97 -2.904 -3.342 11.025 1.00 0.00 C ATOM 0 H MET A 97 1.999 -3.507 9.760 1.00 0.00 H new ATOM 0 HA MET A 97 1.163 -0.826 9.142 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.218 -2.908 8.851 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.278 -3.103 10.591 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.428 -0.925 10.844 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.263 -0.601 9.130 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.924 -3.630 11.281 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.311 -4.236 10.834 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.465 -2.786 11.854 1.00 0.00 H new ATOM 1542 N GLU A 98 1.515 -1.610 12.308 1.00 0.00 N ATOM 1543 CA GLU A 98 1.570 -1.011 13.673 1.00 0.00 C ATOM 1544 C GLU A 98 2.589 0.133 13.698 1.00 0.00 C ATOM 1545 O GLU A 98 2.356 1.177 14.275 1.00 0.00 O ATOM 1546 CB GLU A 98 1.996 -2.093 14.674 1.00 0.00 C ATOM 1547 CG GLU A 98 1.734 -1.620 16.107 1.00 0.00 C ATOM 1548 CD GLU A 98 2.759 -0.548 16.488 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.881 -0.638 16.017 1.00 0.00 O ATOM 1550 OE2 GLU A 98 2.406 0.338 17.245 1.00 0.00 O ATOM 0 H GLU A 98 1.781 -2.593 12.256 1.00 0.00 H new ATOM 0 HA GLU A 98 0.588 -0.621 13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.446 -3.014 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.054 -2.321 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.724 -1.218 16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.799 -2.462 16.796 1.00 0.00 H new ATOM 1557 N ARG A 99 3.716 -0.055 13.080 1.00 0.00 N ATOM 1558 CA ARG A 99 4.755 1.017 13.065 1.00 0.00 C ATOM 1559 C ARG A 99 4.251 2.209 12.250 1.00 0.00 C ATOM 1560 O ARG A 99 4.468 3.355 12.595 1.00 0.00 O ATOM 1561 CB ARG A 99 6.019 0.460 12.406 1.00 0.00 C ATOM 1562 CG ARG A 99 6.616 -0.666 13.267 1.00 0.00 C ATOM 1563 CD ARG A 99 7.428 -0.075 14.428 1.00 0.00 C ATOM 1564 NE ARG A 99 8.132 -1.174 15.146 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.596 -0.973 16.347 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.437 0.182 16.936 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.223 -1.935 16.964 1.00 0.00 N ATOM 0 H ARG A 99 3.968 -0.908 12.581 1.00 0.00 H new ATOM 0 HA ARG A 99 4.968 1.340 14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.782 0.081 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.752 1.257 12.277 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.818 -1.297 13.657 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.255 -1.302 12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.150 0.649 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.769 0.459 15.113 1.00 0.00 H new ATOM 0 HE ARG A 99 8.251 -2.083 14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.946 0.936 16.456 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.804 0.330 17.876 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.348 -2.838 16.507 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.589 -1.785 17.904 1.00 0.00 H new ATOM 1581 N TYR A 100 3.586 1.941 11.170 1.00 0.00 N ATOM 1582 CA TYR A 100 3.059 3.038 10.313 1.00 0.00 C ATOM 1583 C TYR A 100 2.055 3.881 11.106 1.00 0.00 C ATOM 1584 O TYR A 100 2.087 5.095 11.087 1.00 0.00 O ATOM 1585 CB TYR A 100 2.361 2.415 9.099 1.00 0.00 C ATOM 1586 CG TYR A 100 1.668 3.489 8.290 1.00 0.00 C ATOM 1587 CD1 TYR A 100 2.409 4.308 7.432 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.281 3.662 8.400 1.00 0.00 C ATOM 1589 CE1 TYR A 100 1.766 5.302 6.684 1.00 0.00 C ATOM 1590 CE2 TYR A 100 -0.362 4.654 7.651 1.00 0.00 C ATOM 1591 CZ TYR A 100 0.381 5.474 6.794 1.00 0.00 C ATOM 1592 OH TYR A 100 -0.252 6.453 6.055 1.00 0.00 O ATOM 0 H TYR A 100 3.380 0.999 10.837 1.00 0.00 H new ATOM 0 HA TYR A 100 3.878 3.680 9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.090 1.895 8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.635 1.672 9.429 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.477 4.174 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.291 3.030 9.063 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.338 5.936 6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.431 4.787 7.734 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.852 6.034 5.403 1.00 0.00 H new ATOM 1602 N GLY A 101 1.157 3.237 11.793 1.00 0.00 N ATOM 1603 CA GLY A 101 0.138 3.985 12.586 1.00 0.00 C ATOM 1604 C GLY A 101 0.817 4.751 13.726 1.00 0.00 C ATOM 1605 O GLY A 101 0.442 5.859 14.058 1.00 0.00 O ATOM 0 H GLY A 101 1.082 2.221 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.399 4.680 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.599 3.292 12.991 1.00 0.00 H new ATOM 1609 N ALA A 102 1.803 4.163 14.336 1.00 0.00 N ATOM 1610 CA ALA A 102 2.506 4.842 15.464 1.00 0.00 C ATOM 1611 C ALA A 102 3.247 6.084 14.960 1.00 0.00 C ATOM 1612 O ALA A 102 3.260 7.117 15.600 1.00 0.00 O ATOM 1613 CB ALA A 102 3.518 3.873 16.078 1.00 0.00 C ATOM 0 H ALA A 102 2.157 3.235 14.103 1.00 0.00 H new ATOM 0 HA ALA A 102 1.771 5.145 16.209 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.036 4.362 16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.998 2.990 16.449 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.243 3.575 15.320 1.00 0.00 H new ATOM 1619 N GLU A 103 3.874 5.991 13.825 1.00 0.00 N ATOM 1620 CA GLU A 103 4.625 7.166 13.289 1.00 0.00 C ATOM 1621 C GLU A 103 3.657 8.138 12.605 1.00 0.00 C ATOM 1622 O GLU A 103 3.592 9.303 12.942 1.00 0.00 O ATOM 1623 CB GLU A 103 5.661 6.676 12.276 1.00 0.00 C ATOM 1624 CG GLU A 103 6.701 5.801 12.981 1.00 0.00 C ATOM 1625 CD GLU A 103 7.508 6.653 13.964 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.523 7.861 13.796 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.094 6.083 14.869 1.00 0.00 O ATOM 0 H GLU A 103 3.902 5.155 13.242 1.00 0.00 H new ATOM 0 HA GLU A 103 5.124 7.683 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.170 6.108 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.150 7.527 11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.207 4.987 13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.366 5.346 12.247 1.00 0.00 H new ATOM 1634 N ASN A 104 2.905 7.674 11.643 1.00 0.00 N ATOM 1635 CA ASN A 104 1.940 8.580 10.940 1.00 0.00 C ATOM 1636 C ASN A 104 0.568 8.487 11.616 1.00 0.00 C ATOM 1637 O ASN A 104 0.183 9.339 12.392 1.00 0.00 O ATOM 1638 CB ASN A 104 1.796 8.142 9.480 1.00 0.00 C ATOM 1639 CG ASN A 104 3.046 8.539 8.692 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.809 9.381 9.122 1.00 0.00 O ATOM 1641 ND2 ASN A 104 3.284 7.967 7.544 1.00 0.00 N ATOM 0 H ASN A 104 2.914 6.709 11.311 1.00 0.00 H new ATOM 0 HA ASN A 104 2.312 9.604 10.987 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.650 7.063 9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 104 0.914 8.605 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.111 8.227 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.643 7.260 7.184 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.176 7.455 11.314 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.529 7.289 11.931 1.00 0.00 C ATOM 1650 C GLY A 105 -2.508 6.748 10.882 1.00 0.00 C ATOM 1651 O GLY A 105 -2.447 7.092 9.720 1.00 0.00 O ATOM 0 H GLY A 105 0.095 6.717 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.473 6.605 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.884 8.245 12.316 1.00 0.00 H new ATOM 1655 N LEU A 106 -3.414 5.904 11.294 1.00 0.00 N ATOM 1656 CA LEU A 106 -4.410 5.332 10.340 1.00 0.00 C ATOM 1657 C LEU A 106 -5.454 6.398 9.983 1.00 0.00 C ATOM 1658 O LEU A 106 -5.400 7.018 8.938 1.00 0.00 O ATOM 1659 CB LEU A 106 -5.111 4.146 11.021 1.00 0.00 C ATOM 1660 CG LEU A 106 -4.219 2.905 10.953 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.842 3.231 11.535 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -4.857 1.771 11.763 1.00 0.00 C ATOM 0 H LEU A 106 -3.509 5.583 12.258 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.907 5.004 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.331 4.390 12.060 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.065 3.946 10.532 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.111 2.595 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.207 2.346 11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.386 4.037 10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.951 3.543 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.221 0.887 11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.966 2.083 12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.838 1.536 11.350 1.00 0.00 H new ATOM 1674 N GLY A 107 -6.403 6.612 10.852 1.00 0.00 N ATOM 1675 CA GLY A 107 -7.462 7.633 10.581 1.00 0.00 C ATOM 1676 C GLY A 107 -8.059 7.401 9.190 1.00 0.00 C ATOM 1677 O GLY A 107 -7.926 8.219 8.299 1.00 0.00 O ATOM 0 H GLY A 107 -6.493 6.123 11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.244 7.570 11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.039 8.635 10.643 1.00 0.00 H new ATOM 1681 N PHE A 108 -8.718 6.293 9.004 1.00 0.00 N ATOM 1682 CA PHE A 108 -9.330 5.987 7.676 1.00 0.00 C ATOM 1683 C PHE A 108 -10.345 7.070 7.297 1.00 0.00 C ATOM 1684 O PHE A 108 -11.232 7.412 8.053 1.00 0.00 O ATOM 1685 CB PHE A 108 -10.016 4.621 7.742 1.00 0.00 C ATOM 1686 CG PHE A 108 -10.862 4.528 8.990 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -12.176 5.010 8.986 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -10.333 3.950 10.151 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -12.961 4.914 10.143 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -11.119 3.855 11.307 1.00 0.00 C ATOM 1691 CZ PHE A 108 -12.432 4.338 11.303 1.00 0.00 C ATOM 0 H PHE A 108 -8.862 5.579 9.718 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.550 5.966 6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -10.638 4.474 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.268 3.828 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.585 5.456 8.091 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.319 3.578 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.975 5.285 10.139 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.711 3.409 12.202 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.037 4.266 12.195 1.00 0.00 H new ATOM 1701 N SER A 109 -10.202 7.613 6.117 1.00 0.00 N ATOM 1702 CA SER A 109 -11.127 8.690 5.654 1.00 0.00 C ATOM 1703 C SER A 109 -12.485 8.105 5.252 1.00 0.00 C ATOM 1704 O SER A 109 -12.590 6.982 4.804 1.00 0.00 O ATOM 1705 CB SER A 109 -10.498 9.401 4.459 1.00 0.00 C ATOM 1706 OG SER A 109 -9.480 10.277 4.925 1.00 0.00 O ATOM 0 H SER A 109 -9.477 7.354 5.448 1.00 0.00 H new ATOM 0 HA SER A 109 -11.288 9.396 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.079 8.672 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.256 9.962 3.913 1.00 0.00 H new ATOM 0 HG SER A 109 -9.070 10.736 4.163 1.00 0.00 H new ATOM 1712 N LYS A 110 -13.521 8.882 5.417 1.00 0.00 N ATOM 1713 CA LYS A 110 -14.895 8.419 5.068 1.00 0.00 C ATOM 1714 C LYS A 110 -15.094 8.352 3.551 1.00 0.00 C ATOM 1715 O LYS A 110 -14.281 8.810 2.775 1.00 0.00 O ATOM 1716 CB LYS A 110 -15.925 9.374 5.672 1.00 0.00 C ATOM 1717 CG LYS A 110 -15.726 10.789 5.115 1.00 0.00 C ATOM 1718 CD LYS A 110 -16.732 11.738 5.774 1.00 0.00 C ATOM 1719 CE LYS A 110 -16.524 13.163 5.251 1.00 0.00 C ATOM 1720 NZ LYS A 110 -16.803 13.202 3.788 1.00 0.00 N ATOM 0 H LYS A 110 -13.473 9.832 5.784 1.00 0.00 H new ATOM 0 HA LYS A 110 -15.027 7.416 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -16.932 9.025 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.828 9.386 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.708 11.128 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.863 10.789 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.749 11.408 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.609 11.717 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.183 13.854 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.502 13.487 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -16.962 14.186 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.991 12.811 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.651 12.636 3.581 1.00 0.00 H new ATOM 1734 N SER A 111 -16.193 7.770 3.144 1.00 0.00 N ATOM 1735 CA SER A 111 -16.511 7.629 1.693 1.00 0.00 C ATOM 1736 C SER A 111 -15.694 6.480 1.108 1.00 0.00 C ATOM 1737 O SER A 111 -15.889 6.075 -0.020 1.00 0.00 O ATOM 1738 CB SER A 111 -16.180 8.927 0.943 1.00 0.00 C ATOM 1739 OG SER A 111 -14.829 8.886 0.502 1.00 0.00 O ATOM 0 H SER A 111 -16.897 7.379 3.770 1.00 0.00 H new ATOM 0 HA SER A 111 -17.575 7.422 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.849 9.048 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.335 9.787 1.595 1.00 0.00 H new ATOM 0 HG SER A 111 -14.231 8.878 1.279 1.00 0.00 H new ATOM 1745 N GLU A 112 -14.786 5.940 1.877 1.00 0.00 N ATOM 1746 CA GLU A 112 -13.953 4.798 1.388 1.00 0.00 C ATOM 1747 C GLU A 112 -14.440 3.492 2.034 1.00 0.00 C ATOM 1748 O GLU A 112 -14.291 2.419 1.484 1.00 0.00 O ATOM 1749 CB GLU A 112 -12.489 5.049 1.779 1.00 0.00 C ATOM 1750 CG GLU A 112 -11.955 6.277 1.035 1.00 0.00 C ATOM 1751 CD GLU A 112 -11.848 5.963 -0.461 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -11.997 4.807 -0.816 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -11.601 6.884 -1.219 1.00 0.00 O ATOM 0 H GLU A 112 -14.583 6.242 2.830 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.039 4.715 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.412 5.203 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.884 4.175 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.619 7.127 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.978 6.558 1.429 1.00 0.00 H new ATOM 1760 N LEU A 113 -15.021 3.582 3.198 1.00 0.00 N ATOM 1761 CA LEU A 113 -15.527 2.356 3.890 1.00 0.00 C ATOM 1762 C LEU A 113 -16.863 1.939 3.285 1.00 0.00 C ATOM 1763 O LEU A 113 -17.129 0.775 3.054 1.00 0.00 O ATOM 1764 CB LEU A 113 -15.721 2.652 5.383 1.00 0.00 C ATOM 1765 CG LEU A 113 -14.482 3.374 5.953 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -13.203 2.666 5.478 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -14.455 4.863 5.520 1.00 0.00 C ATOM 0 H LEU A 113 -15.169 4.455 3.705 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.803 1.551 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.608 3.270 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.890 1.722 5.926 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.535 3.338 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -12.331 3.180 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -13.209 1.633 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.161 2.683 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -13.571 5.347 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.425 4.925 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.350 5.365 5.887 1.00 0.00 H new ATOM 1779 N GLU A 114 -17.713 2.889 3.049 1.00 0.00 N ATOM 1780 CA GLU A 114 -19.050 2.572 2.477 1.00 0.00 C ATOM 1781 C GLU A 114 -18.897 2.004 1.065 1.00 0.00 C ATOM 1782 O GLU A 114 -18.577 2.706 0.129 1.00 0.00 O ATOM 1783 CB GLU A 114 -19.906 3.844 2.443 1.00 0.00 C ATOM 1784 CG GLU A 114 -19.036 5.048 2.068 1.00 0.00 C ATOM 1785 CD GLU A 114 -19.932 6.249 1.752 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -20.834 6.511 2.529 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -19.695 6.890 0.741 1.00 0.00 O ATOM 0 H GLU A 114 -17.542 3.879 3.227 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.540 1.825 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.714 3.730 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.369 4.008 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.360 5.291 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.416 4.807 1.205 1.00 0.00 H new ATOM 1794 N HIS A 115 -19.141 0.731 0.914 1.00 0.00 N ATOM 1795 CA HIS A 115 -19.029 0.098 -0.427 1.00 0.00 C ATOM 1796 C HIS A 115 -19.526 -1.350 -0.339 1.00 0.00 C ATOM 1797 O HIS A 115 -18.759 -2.280 -0.188 1.00 0.00 O ATOM 1798 CB HIS A 115 -17.572 0.120 -0.897 1.00 0.00 C ATOM 1799 CG HIS A 115 -17.483 -0.491 -2.266 1.00 0.00 C ATOM 1800 ND1 HIS A 115 -17.374 -1.860 -2.456 1.00 0.00 N ATOM 1801 CD2 HIS A 115 -17.485 0.064 -3.521 1.00 0.00 C ATOM 1802 CE1 HIS A 115 -17.314 -2.081 -3.781 1.00 0.00 C ATOM 1803 NE2 HIS A 115 -17.378 -0.942 -4.476 1.00 0.00 N ATOM 0 H HIS A 115 -19.415 0.100 1.667 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.636 0.652 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -17.200 1.144 -0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -16.944 -0.432 -0.198 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -17.345 -2.570 -1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -17.558 1.120 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -17.225 -3.060 -4.229 1.00 0.00 H new ATOM 1811 N HIS A 116 -20.812 -1.539 -0.434 1.00 0.00 N ATOM 1812 CA HIS A 116 -21.392 -2.913 -0.362 1.00 0.00 C ATOM 1813 C HIS A 116 -22.727 -2.924 -1.109 1.00 0.00 C ATOM 1814 O HIS A 116 -22.978 -3.766 -1.949 1.00 0.00 O ATOM 1815 CB HIS A 116 -21.640 -3.298 1.101 1.00 0.00 C ATOM 1816 CG HIS A 116 -22.078 -4.739 1.173 1.00 0.00 C ATOM 1817 ND1 HIS A 116 -23.395 -5.126 0.965 1.00 0.00 N ATOM 1818 CD2 HIS A 116 -21.386 -5.895 1.434 1.00 0.00 C ATOM 1819 CE1 HIS A 116 -23.451 -6.462 1.103 1.00 0.00 C ATOM 1820 NE2 HIS A 116 -22.254 -6.982 1.388 1.00 0.00 N ATOM 0 H HIS A 116 -21.496 -0.793 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 116 -20.698 -3.624 -0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -20.732 -3.153 1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -22.404 -2.652 1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -20.328 -5.953 1.643 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -24.354 -7.044 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -22.025 -7.964 1.539 1.00 0.00 H new ATOM 1828 N HIS A 117 -23.592 -1.991 -0.806 1.00 0.00 N ATOM 1829 CA HIS A 117 -24.918 -1.946 -1.494 1.00 0.00 C ATOM 1830 C HIS A 117 -25.433 -0.507 -1.577 1.00 0.00 C ATOM 1831 O HIS A 117 -24.914 0.396 -0.952 1.00 0.00 O ATOM 1832 CB HIS A 117 -25.930 -2.795 -0.722 1.00 0.00 C ATOM 1833 CG HIS A 117 -25.991 -2.341 0.711 1.00 0.00 C ATOM 1834 ND1 HIS A 117 -25.172 -2.879 1.690 1.00 0.00 N ATOM 1835 CD2 HIS A 117 -26.774 -1.409 1.349 1.00 0.00 C ATOM 1836 CE1 HIS A 117 -25.479 -2.278 2.854 1.00 0.00 C ATOM 1837 NE2 HIS A 117 -26.448 -1.372 2.702 1.00 0.00 N ATOM 0 H HIS A 117 -23.438 -1.259 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 117 -24.795 -2.339 -2.503 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -26.915 -2.710 -1.182 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -25.646 -3.846 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -24.464 -3.600 1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -27.527 -0.798 0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -25.000 -2.501 3.796 1.00 0.00 H new ATOM 1845 N HIS A 118 -26.461 -0.294 -2.359 1.00 0.00 N ATOM 1846 CA HIS A 118 -27.032 1.077 -2.507 1.00 0.00 C ATOM 1847 C HIS A 118 -28.526 0.986 -2.827 1.00 0.00 C ATOM 1848 O HIS A 118 -29.013 -0.014 -3.314 1.00 0.00 O ATOM 1849 CB HIS A 118 -26.305 1.807 -3.642 1.00 0.00 C ATOM 1850 CG HIS A 118 -26.668 1.192 -4.969 1.00 0.00 C ATOM 1851 ND1 HIS A 118 -26.037 0.057 -5.456 1.00 0.00 N ATOM 1852 CD2 HIS A 118 -27.588 1.545 -5.927 1.00 0.00 C ATOM 1853 CE1 HIS A 118 -26.580 -0.230 -6.654 1.00 0.00 C ATOM 1854 NE2 HIS A 118 -27.530 0.645 -6.989 1.00 0.00 N ATOM 0 H HIS A 118 -26.931 -1.016 -2.904 1.00 0.00 H new ATOM 0 HA HIS A 118 -26.901 1.627 -1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -26.574 2.863 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -25.227 1.751 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -28.255 2.392 -5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -26.283 -1.067 -7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -28.093 0.653 -7.840 1.00 0.00 H new ATOM 1862 N HIS A 119 -29.257 2.035 -2.555 1.00 0.00 N ATOM 1863 CA HIS A 119 -30.719 2.024 -2.843 1.00 0.00 C ATOM 1864 C HIS A 119 -31.219 3.454 -3.068 1.00 0.00 C ATOM 1865 O HIS A 119 -30.582 4.418 -2.696 1.00 0.00 O ATOM 1866 CB HIS A 119 -31.472 1.399 -1.668 1.00 0.00 C ATOM 1867 CG HIS A 119 -31.200 2.181 -0.412 1.00 0.00 C ATOM 1868 ND1 HIS A 119 -29.988 2.109 0.258 1.00 0.00 N ATOM 1869 CD2 HIS A 119 -31.979 3.044 0.318 1.00 0.00 C ATOM 1870 CE1 HIS A 119 -30.075 2.906 1.340 1.00 0.00 C ATOM 1871 NE2 HIS A 119 -31.265 3.501 1.424 1.00 0.00 N ATOM 0 H HIS A 119 -28.903 2.899 -2.145 1.00 0.00 H new ATOM 0 HA HIS A 119 -30.898 1.436 -3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -32.542 1.388 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -31.162 0.362 -1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -32.992 3.326 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -29.277 3.046 2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -31.584 4.151 2.143 1.00 0.00 H new ATOM 1879 N HIS A 120 -32.365 3.583 -3.681 1.00 0.00 N ATOM 1880 CA HIS A 120 -32.940 4.932 -3.955 1.00 0.00 C ATOM 1881 C HIS A 120 -33.833 5.357 -2.783 1.00 0.00 C ATOM 1882 O HIS A 120 -34.675 6.218 -2.986 1.00 0.00 O ATOM 1883 CB HIS A 120 -33.779 4.854 -5.231 1.00 0.00 C ATOM 1884 CG HIS A 120 -32.897 4.457 -6.385 1.00 0.00 C ATOM 1885 ND1 HIS A 120 -31.992 5.335 -6.957 1.00 0.00 N ATOM 1886 CD2 HIS A 120 -32.768 3.280 -7.085 1.00 0.00 C ATOM 1887 CE1 HIS A 120 -31.367 4.682 -7.955 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -31.801 3.425 -8.074 1.00 0.00 N ATOM 1889 OXT HIS A 120 -33.663 4.812 -1.706 1.00 0.00 O ATOM 0 H HIS A 120 -32.934 2.802 -4.007 1.00 0.00 H new ATOM 0 HA HIS A 120 -32.139 5.661 -4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -34.583 4.129 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -34.247 5.818 -5.431 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -33.333 2.379 -6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -30.607 5.122 -8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -31.490 2.723 -8.745 1.00 0.00 H new TER 1897 HIS A 120