USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -4.45! C(o=-4.4!,f=-9.7!) USER MOD Set 1.2: A 81 THR OG1 : rot -167:sc= 0.027 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.00128 USER MOD Set 2.2: A 71 SER OG : rot -80:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0855 (180deg=-0.37) USER MOD Single : A 3 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -7.26! C(o=-11!,f=-7.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0249 (180deg=-0.483) USER MOD Single : A 62 SER OG : rot 109:sc= -0.525 USER MOD Single : A 65 HIS : no HD1:sc= -0.41 X(o=-0.41,f=0.054) USER MOD Single : A 80 THR OG1 : rot -22:sc= 0.502 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.986 14.804 -0.730 1.00 0.00 N ATOM 2 CA MET A 1 2.581 13.951 0.338 1.00 0.00 C ATOM 3 C MET A 1 1.958 14.315 1.686 1.00 0.00 C ATOM 4 O MET A 1 2.649 14.574 2.651 1.00 0.00 O ATOM 5 CB MET A 1 4.091 14.183 0.393 1.00 0.00 C ATOM 6 CG MET A 1 4.726 13.697 -0.910 1.00 0.00 C ATOM 7 SD MET A 1 6.525 13.856 -0.803 1.00 0.00 S ATOM 8 CE MET A 1 6.901 13.337 -2.495 1.00 0.00 C ATOM 0 H1 MET A 1 2.223 14.408 -1.662 1.00 0.00 H new ATOM 0 H2 MET A 1 0.952 14.831 -0.617 1.00 0.00 H new ATOM 0 H3 MET A 1 2.367 15.769 -0.656 1.00 0.00 H new ATOM 0 HA MET A 1 2.383 12.902 0.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.302 15.242 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.521 13.651 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.453 12.658 -1.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.348 14.280 -1.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.979 13.361 -2.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.534 12.323 -2.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.417 14.014 -3.199 1.00 0.00 H new ATOM 20 N GLN A 2 0.656 14.336 1.758 1.00 0.00 N ATOM 21 CA GLN A 2 -0.013 14.683 3.043 1.00 0.00 C ATOM 22 C GLN A 2 0.428 13.696 4.125 1.00 0.00 C ATOM 23 O GLN A 2 0.591 14.051 5.276 1.00 0.00 O ATOM 24 CB GLN A 2 -1.530 14.598 2.865 1.00 0.00 C ATOM 25 CG GLN A 2 -1.982 15.636 1.835 1.00 0.00 C ATOM 26 CD GLN A 2 -3.495 15.534 1.637 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.101 14.544 1.994 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.136 16.525 1.078 1.00 0.00 N ATOM 0 H GLN A 2 0.027 14.128 0.983 1.00 0.00 H new ATOM 0 HA GLN A 2 0.263 15.696 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.813 13.598 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.029 14.774 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.715 16.638 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.469 15.471 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.627 17.357 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.145 16.467 0.941 1.00 0.00 H new ATOM 37 N HIS A 3 0.624 12.459 3.762 1.00 0.00 N ATOM 38 CA HIS A 3 1.057 11.443 4.763 1.00 0.00 C ATOM 39 C HIS A 3 1.771 10.300 4.040 1.00 0.00 C ATOM 40 O HIS A 3 1.529 9.138 4.301 1.00 0.00 O ATOM 41 CB HIS A 3 -0.167 10.898 5.500 1.00 0.00 C ATOM 42 CG HIS A 3 -0.917 12.035 6.137 1.00 0.00 C ATOM 43 ND1 HIS A 3 -0.433 12.708 7.251 1.00 0.00 N ATOM 44 CD2 HIS A 3 -2.115 12.631 5.830 1.00 0.00 C ATOM 45 CE1 HIS A 3 -1.329 13.661 7.570 1.00 0.00 C ATOM 46 NE2 HIS A 3 -2.370 13.655 6.736 1.00 0.00 N ATOM 0 H HIS A 3 0.503 12.106 2.813 1.00 0.00 H new ATOM 0 HA HIS A 3 1.735 11.902 5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.816 10.365 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.143 10.181 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.760 12.348 5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.219 14.345 8.398 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.182 14.272 6.758 1.00 0.00 H new ATOM 55 N ALA A 4 2.646 10.622 3.126 1.00 0.00 N ATOM 56 CA ALA A 4 3.371 9.557 2.378 1.00 0.00 C ATOM 57 C ALA A 4 4.183 8.701 3.350 1.00 0.00 C ATOM 58 O ALA A 4 4.343 7.512 3.157 1.00 0.00 O ATOM 59 CB ALA A 4 4.313 10.203 1.360 1.00 0.00 C ATOM 0 H ALA A 4 2.890 11.578 2.865 1.00 0.00 H new ATOM 0 HA ALA A 4 2.649 8.925 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.845 9.425 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.735 10.808 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.032 10.836 1.880 1.00 0.00 H new ATOM 65 N SER A 5 4.702 9.290 4.393 1.00 0.00 N ATOM 66 CA SER A 5 5.504 8.495 5.365 1.00 0.00 C ATOM 67 C SER A 5 4.641 7.369 5.934 1.00 0.00 C ATOM 68 O SER A 5 5.090 6.252 6.101 1.00 0.00 O ATOM 69 CB SER A 5 5.977 9.401 6.503 1.00 0.00 C ATOM 70 OG SER A 5 6.681 10.509 5.958 1.00 0.00 O ATOM 0 H SER A 5 4.606 10.281 4.613 1.00 0.00 H new ATOM 0 HA SER A 5 6.371 8.070 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.124 9.748 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.622 8.844 7.183 1.00 0.00 H new ATOM 0 HG SER A 5 6.984 11.093 6.684 1.00 0.00 H new ATOM 76 N VAL A 6 3.401 7.649 6.221 1.00 0.00 N ATOM 77 CA VAL A 6 2.506 6.591 6.765 1.00 0.00 C ATOM 78 C VAL A 6 2.260 5.539 5.688 1.00 0.00 C ATOM 79 O VAL A 6 2.166 4.365 5.966 1.00 0.00 O ATOM 80 CB VAL A 6 1.173 7.204 7.189 1.00 0.00 C ATOM 81 CG1 VAL A 6 0.185 6.087 7.539 1.00 0.00 C ATOM 82 CG2 VAL A 6 1.389 8.094 8.415 1.00 0.00 C ATOM 0 H VAL A 6 2.968 8.565 6.102 1.00 0.00 H new ATOM 0 HA VAL A 6 2.979 6.130 7.632 1.00 0.00 H new ATOM 0 HB VAL A 6 0.771 7.802 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.766 6.524 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.031 5.451 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.586 5.490 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.438 8.532 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.790 7.496 9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.092 8.889 8.168 1.00 0.00 H new ATOM 92 N ILE A 7 2.145 5.955 4.458 1.00 0.00 N ATOM 93 CA ILE A 7 1.896 4.978 3.363 1.00 0.00 C ATOM 94 C ILE A 7 3.036 3.959 3.311 1.00 0.00 C ATOM 95 O ILE A 7 2.813 2.765 3.299 1.00 0.00 O ATOM 96 CB ILE A 7 1.820 5.727 2.033 1.00 0.00 C ATOM 97 CG1 ILE A 7 0.669 6.734 2.088 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.574 4.732 0.898 1.00 0.00 C ATOM 99 CD1 ILE A 7 0.671 7.585 0.818 1.00 0.00 C ATOM 0 H ILE A 7 2.213 6.929 4.164 1.00 0.00 H new ATOM 0 HA ILE A 7 0.957 4.455 3.546 1.00 0.00 H new ATOM 0 HB ILE A 7 2.759 6.252 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.282 6.210 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.772 7.372 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.520 5.267 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.391 4.012 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.635 4.207 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.149 8.302 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.617 8.121 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.547 6.940 -0.052 1.00 0.00 H new ATOM 111 N ALA A 8 4.256 4.418 3.291 1.00 0.00 N ATOM 112 CA ALA A 8 5.405 3.469 3.250 1.00 0.00 C ATOM 113 C ALA A 8 5.406 2.638 4.530 1.00 0.00 C ATOM 114 O ALA A 8 5.569 1.435 4.507 1.00 0.00 O ATOM 115 CB ALA A 8 6.714 4.253 3.149 1.00 0.00 C ATOM 0 H ALA A 8 4.508 5.406 3.301 1.00 0.00 H new ATOM 0 HA ALA A 8 5.312 2.814 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.553 3.558 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.709 4.855 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.815 4.906 4.016 1.00 0.00 H new ATOM 121 N GLN A 9 5.209 3.277 5.646 1.00 0.00 N ATOM 122 CA GLN A 9 5.180 2.540 6.938 1.00 0.00 C ATOM 123 C GLN A 9 3.988 1.584 6.937 1.00 0.00 C ATOM 124 O GLN A 9 4.075 0.456 7.374 1.00 0.00 O ATOM 125 CB GLN A 9 5.026 3.545 8.083 1.00 0.00 C ATOM 126 CG GLN A 9 5.068 2.813 9.424 1.00 0.00 C ATOM 127 CD GLN A 9 3.913 3.297 10.300 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.126 3.831 11.370 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.686 3.133 9.884 1.00 0.00 N ATOM 0 H GLN A 9 5.066 4.284 5.720 1.00 0.00 H new ATOM 0 HA GLN A 9 6.104 1.976 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.824 4.286 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.084 4.084 7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.994 1.737 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.020 2.997 9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.508 2.685 8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.906 3.453 10.458 1.00 0.00 H new ATOM 138 N PHE A 10 2.875 2.040 6.442 1.00 0.00 N ATOM 139 CA PHE A 10 1.656 1.188 6.397 1.00 0.00 C ATOM 140 C PHE A 10 1.934 -0.048 5.545 1.00 0.00 C ATOM 141 O PHE A 10 1.669 -1.165 5.942 1.00 0.00 O ATOM 142 CB PHE A 10 0.522 2.003 5.768 1.00 0.00 C ATOM 143 CG PHE A 10 -0.779 1.246 5.843 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.153 0.387 4.803 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.621 1.416 6.948 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.368 -0.303 4.870 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.837 0.729 7.013 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.210 -0.131 5.975 1.00 0.00 C ATOM 0 H PHE A 10 2.756 2.979 6.062 1.00 0.00 H new ATOM 0 HA PHE A 10 1.377 0.872 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.424 2.958 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.760 2.226 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.504 0.257 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.331 2.078 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.656 -0.968 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.488 0.862 7.864 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.149 -0.663 6.026 1.00 0.00 H new ATOM 158 N VAL A 11 2.465 0.148 4.375 1.00 0.00 N ATOM 159 CA VAL A 11 2.765 -1.007 3.485 1.00 0.00 C ATOM 160 C VAL A 11 3.980 -1.771 4.016 1.00 0.00 C ATOM 161 O VAL A 11 3.996 -2.985 4.057 1.00 0.00 O ATOM 162 CB VAL A 11 3.068 -0.488 2.082 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.305 -1.669 1.142 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.884 0.340 1.583 1.00 0.00 C ATOM 0 H VAL A 11 2.706 1.062 3.993 1.00 0.00 H new ATOM 0 HA VAL A 11 1.906 -1.677 3.457 1.00 0.00 H new ATOM 0 HB VAL A 11 3.961 0.136 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.521 -1.299 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.149 -2.257 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.413 -2.295 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.097 0.712 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.990 -0.283 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.720 1.182 2.256 1.00 0.00 H new ATOM 174 N VAL A 12 5.003 -1.064 4.412 1.00 0.00 N ATOM 175 CA VAL A 12 6.229 -1.734 4.930 1.00 0.00 C ATOM 176 C VAL A 12 5.904 -2.495 6.218 1.00 0.00 C ATOM 177 O VAL A 12 6.444 -3.553 6.474 1.00 0.00 O ATOM 178 CB VAL A 12 7.299 -0.678 5.202 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.565 -1.347 5.743 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.632 0.055 3.901 1.00 0.00 C ATOM 0 H VAL A 12 5.042 -0.045 4.399 1.00 0.00 H new ATOM 0 HA VAL A 12 6.598 -2.444 4.190 1.00 0.00 H new ATOM 0 HB VAL A 12 6.923 0.031 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.324 -0.588 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.332 -1.870 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.942 -2.060 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.395 0.809 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.004 -0.659 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.734 0.538 3.515 1.00 0.00 H new ATOM 190 N GLU A 13 5.031 -1.970 7.031 1.00 0.00 N ATOM 191 CA GLU A 13 4.684 -2.670 8.301 1.00 0.00 C ATOM 192 C GLU A 13 4.214 -4.088 7.987 1.00 0.00 C ATOM 193 O GLU A 13 4.381 -4.998 8.774 1.00 0.00 O ATOM 194 CB GLU A 13 3.574 -1.913 9.024 1.00 0.00 C ATOM 195 CG GLU A 13 3.291 -2.589 10.364 1.00 0.00 C ATOM 196 CD GLU A 13 2.145 -1.866 11.070 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.694 -0.863 10.544 1.00 0.00 O ATOM 198 OE2 GLU A 13 1.742 -2.323 12.127 1.00 0.00 O ATOM 0 H GLU A 13 4.543 -1.088 6.873 1.00 0.00 H new ATOM 0 HA GLU A 13 5.565 -2.710 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.869 -0.876 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.671 -1.898 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.032 -3.636 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.185 -2.572 10.988 1.00 0.00 H new ATOM 205 N GLU A 14 3.626 -4.283 6.842 1.00 0.00 N ATOM 206 CA GLU A 14 3.143 -5.642 6.475 1.00 0.00 C ATOM 207 C GLU A 14 4.335 -6.591 6.326 1.00 0.00 C ATOM 208 O GLU A 14 4.230 -7.776 6.576 1.00 0.00 O ATOM 209 CB GLU A 14 2.382 -5.567 5.151 1.00 0.00 C ATOM 210 CG GLU A 14 1.760 -6.930 4.845 1.00 0.00 C ATOM 211 CD GLU A 14 1.080 -6.886 3.475 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.133 -5.844 2.843 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.520 -7.895 3.082 1.00 0.00 O ATOM 0 H GLU A 14 3.458 -3.559 6.143 1.00 0.00 H new ATOM 0 HA GLU A 14 2.482 -6.016 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.605 -4.805 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.057 -5.274 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.529 -7.703 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.034 -7.191 5.615 1.00 0.00 H new ATOM 220 N PHE A 15 5.467 -6.085 5.918 1.00 0.00 N ATOM 221 CA PHE A 15 6.660 -6.967 5.752 1.00 0.00 C ATOM 222 C PHE A 15 7.926 -6.206 6.162 1.00 0.00 C ATOM 223 O PHE A 15 8.936 -6.262 5.492 1.00 0.00 O ATOM 224 CB PHE A 15 6.772 -7.390 4.284 1.00 0.00 C ATOM 225 CG PHE A 15 7.146 -6.194 3.442 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.172 -5.252 3.094 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.467 -6.027 3.007 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.517 -4.142 2.314 1.00 0.00 C ATOM 229 CE2 PHE A 15 8.813 -4.917 2.227 1.00 0.00 C ATOM 230 CZ PHE A 15 7.838 -3.975 1.881 1.00 0.00 C ATOM 0 H PHE A 15 5.618 -5.102 5.693 1.00 0.00 H new ATOM 0 HA PHE A 15 6.551 -7.849 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.523 -8.173 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.825 -7.807 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.153 -5.381 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.219 -6.755 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.765 -3.415 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.832 -4.788 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.105 -3.118 1.280 1.00 0.00 H new ATOM 240 N LEU A 16 7.884 -5.492 7.254 1.00 0.00 N ATOM 241 CA LEU A 16 9.089 -4.731 7.683 1.00 0.00 C ATOM 242 C LEU A 16 10.084 -5.663 8.389 1.00 0.00 C ATOM 243 O LEU A 16 9.718 -6.399 9.284 1.00 0.00 O ATOM 244 CB LEU A 16 8.676 -3.581 8.622 1.00 0.00 C ATOM 245 CG LEU A 16 8.774 -3.973 10.109 1.00 0.00 C ATOM 246 CD1 LEU A 16 8.367 -2.772 10.965 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.832 -5.141 10.422 1.00 0.00 C ATOM 0 H LEU A 16 7.071 -5.404 7.864 1.00 0.00 H new ATOM 0 HA LEU A 16 9.574 -4.311 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.312 -2.716 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.653 -3.280 8.395 1.00 0.00 H new ATOM 0 HG LEU A 16 9.799 -4.274 10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.433 -3.038 12.020 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.035 -1.936 10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.343 -2.485 10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.916 -5.403 11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.805 -4.850 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.104 -6.002 9.811 1.00 0.00 H new ATOM 259 N PRO A 17 11.342 -5.624 8.013 1.00 0.00 N ATOM 260 CA PRO A 17 12.387 -6.466 8.654 1.00 0.00 C ATOM 261 C PRO A 17 12.777 -5.889 10.019 1.00 0.00 C ATOM 262 O PRO A 17 11.981 -5.245 10.674 1.00 0.00 O ATOM 263 CB PRO A 17 13.556 -6.392 7.667 1.00 0.00 C ATOM 264 CG PRO A 17 13.409 -5.067 7.000 1.00 0.00 C ATOM 265 CD PRO A 17 11.913 -4.779 6.943 1.00 0.00 C ATOM 0 HA PRO A 17 12.062 -7.489 8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.514 -6.472 8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.514 -7.206 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.933 -4.291 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.840 -5.086 5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.704 -3.723 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.495 -5.033 5.969 1.00 0.00 H new ATOM 273 N ASP A 18 13.987 -6.091 10.452 1.00 0.00 N ATOM 274 CA ASP A 18 14.404 -5.531 11.762 1.00 0.00 C ATOM 275 C ASP A 18 14.705 -4.041 11.586 1.00 0.00 C ATOM 276 O ASP A 18 15.286 -3.408 12.445 1.00 0.00 O ATOM 277 CB ASP A 18 15.657 -6.263 12.246 1.00 0.00 C ATOM 278 CG ASP A 18 16.812 -6.015 11.273 1.00 0.00 C ATOM 279 OD1 ASP A 18 16.677 -5.147 10.427 1.00 0.00 O ATOM 280 OD2 ASP A 18 17.813 -6.703 11.388 1.00 0.00 O ATOM 0 H ASP A 18 14.704 -6.619 9.955 1.00 0.00 H new ATOM 0 HA ASP A 18 13.610 -5.658 12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.929 -5.917 13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.458 -7.332 12.323 1.00 0.00 H new ATOM 285 N VAL A 19 14.314 -3.482 10.469 1.00 0.00 N ATOM 286 CA VAL A 19 14.576 -2.035 10.216 1.00 0.00 C ATOM 287 C VAL A 19 13.252 -1.271 10.178 1.00 0.00 C ATOM 288 O VAL A 19 12.292 -1.704 9.573 1.00 0.00 O ATOM 289 CB VAL A 19 15.278 -1.879 8.867 1.00 0.00 C ATOM 290 CG1 VAL A 19 15.673 -0.415 8.663 1.00 0.00 C ATOM 291 CG2 VAL A 19 16.533 -2.755 8.840 1.00 0.00 C ATOM 0 H VAL A 19 13.823 -3.969 9.719 1.00 0.00 H new ATOM 0 HA VAL A 19 15.205 -1.638 11.013 1.00 0.00 H new ATOM 0 HB VAL A 19 14.603 -2.187 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.174 -0.304 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.779 0.209 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.348 -0.106 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.034 -2.644 7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.208 -2.448 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.252 -3.798 8.984 1.00 0.00 H new ATOM 301 N ALA A 20 13.193 -0.131 10.811 1.00 0.00 N ATOM 302 CA ALA A 20 11.931 0.659 10.797 1.00 0.00 C ATOM 303 C ALA A 20 11.732 1.255 9.392 1.00 0.00 C ATOM 304 O ALA A 20 12.676 1.724 8.788 1.00 0.00 O ATOM 305 CB ALA A 20 12.033 1.793 11.819 1.00 0.00 C ATOM 0 H ALA A 20 13.962 0.286 11.336 1.00 0.00 H new ATOM 0 HA ALA A 20 11.088 0.017 11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.111 2.374 11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.190 1.374 12.813 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.871 2.440 11.562 1.00 0.00 H new ATOM 311 N PRO A 21 10.524 1.254 8.867 1.00 0.00 N ATOM 312 CA PRO A 21 10.254 1.824 7.513 1.00 0.00 C ATOM 313 C PRO A 21 10.870 3.215 7.342 1.00 0.00 C ATOM 314 O PRO A 21 11.266 3.601 6.260 1.00 0.00 O ATOM 315 CB PRO A 21 8.731 1.917 7.451 1.00 0.00 C ATOM 316 CG PRO A 21 8.226 0.889 8.407 1.00 0.00 C ATOM 317 CD PRO A 21 9.298 0.712 9.483 1.00 0.00 C ATOM 0 HA PRO A 21 10.687 1.209 6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.388 2.913 7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.368 1.725 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.283 1.206 8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.035 -0.054 7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.039 1.250 10.395 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.419 -0.336 9.755 1.00 0.00 H new ATOM 325 N ALA A 22 10.960 3.966 8.403 1.00 0.00 N ATOM 326 CA ALA A 22 11.556 5.328 8.307 1.00 0.00 C ATOM 327 C ALA A 22 13.037 5.204 7.943 1.00 0.00 C ATOM 328 O ALA A 22 13.631 6.107 7.390 1.00 0.00 O ATOM 329 CB ALA A 22 11.418 6.041 9.653 1.00 0.00 C ATOM 0 H ALA A 22 10.646 3.695 9.335 1.00 0.00 H new ATOM 0 HA ALA A 22 11.037 5.903 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.854 7.038 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.363 6.124 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.939 5.470 10.422 1.00 0.00 H new ATOM 335 N ASP A 23 13.634 4.086 8.253 1.00 0.00 N ATOM 336 CA ASP A 23 15.074 3.889 7.930 1.00 0.00 C ATOM 337 C ASP A 23 15.190 3.117 6.617 1.00 0.00 C ATOM 338 O ASP A 23 16.272 2.800 6.162 1.00 0.00 O ATOM 339 CB ASP A 23 15.746 3.095 9.052 1.00 0.00 C ATOM 340 CG ASP A 23 15.760 3.933 10.332 1.00 0.00 C ATOM 341 OD1 ASP A 23 15.499 5.121 10.242 1.00 0.00 O ATOM 342 OD2 ASP A 23 16.032 3.372 11.381 1.00 0.00 O ATOM 0 H ASP A 23 13.184 3.298 8.718 1.00 0.00 H new ATOM 0 HA ASP A 23 15.565 4.857 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.211 2.161 9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.764 2.831 8.766 1.00 0.00 H new ATOM 347 N VAL A 24 14.079 2.819 6.004 1.00 0.00 N ATOM 348 CA VAL A 24 14.109 2.075 4.717 1.00 0.00 C ATOM 349 C VAL A 24 13.770 3.041 3.585 1.00 0.00 C ATOM 350 O VAL A 24 12.876 3.857 3.701 1.00 0.00 O ATOM 351 CB VAL A 24 13.078 0.945 4.752 1.00 0.00 C ATOM 352 CG1 VAL A 24 13.169 0.130 3.461 1.00 0.00 C ATOM 353 CG2 VAL A 24 13.361 0.035 5.949 1.00 0.00 C ATOM 0 H VAL A 24 13.147 3.061 6.342 1.00 0.00 H new ATOM 0 HA VAL A 24 15.099 1.648 4.558 1.00 0.00 H new ATOM 0 HB VAL A 24 12.078 1.369 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.434 -0.675 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.969 0.777 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.169 -0.294 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.627 -0.771 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.361 -0.388 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.297 0.615 6.870 1.00 0.00 H new ATOM 363 N ASP A 25 14.478 2.970 2.496 1.00 0.00 N ATOM 364 CA ASP A 25 14.192 3.900 1.372 1.00 0.00 C ATOM 365 C ASP A 25 12.802 3.607 0.808 1.00 0.00 C ATOM 366 O ASP A 25 12.618 2.698 0.022 1.00 0.00 O ATOM 367 CB ASP A 25 15.239 3.708 0.273 1.00 0.00 C ATOM 368 CG ASP A 25 16.609 4.153 0.789 1.00 0.00 C ATOM 369 OD1 ASP A 25 16.649 4.799 1.822 1.00 0.00 O ATOM 370 OD2 ASP A 25 17.594 3.838 0.141 1.00 0.00 O ATOM 0 H ASP A 25 15.240 2.311 2.335 1.00 0.00 H new ATOM 0 HA ASP A 25 14.228 4.928 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.275 2.662 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.966 4.287 -0.609 1.00 0.00 H new ATOM 375 N VAL A 26 11.822 4.375 1.199 1.00 0.00 N ATOM 376 CA VAL A 26 10.442 4.145 0.680 1.00 0.00 C ATOM 377 C VAL A 26 10.437 4.313 -0.842 1.00 0.00 C ATOM 378 O VAL A 26 9.405 4.250 -1.480 1.00 0.00 O ATOM 379 CB VAL A 26 9.489 5.164 1.307 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.643 5.140 2.828 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.823 6.562 0.783 1.00 0.00 C ATOM 0 H VAL A 26 11.916 5.151 1.854 1.00 0.00 H new ATOM 0 HA VAL A 26 10.118 3.136 0.936 1.00 0.00 H new ATOM 0 HB VAL A 26 8.462 4.911 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.964 5.866 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.406 4.144 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.670 5.392 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.145 7.289 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.850 6.814 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.713 6.580 -0.301 1.00 0.00 H new ATOM 391 N ASP A 27 11.585 4.516 -1.429 1.00 0.00 N ATOM 392 CA ASP A 27 11.652 4.677 -2.908 1.00 0.00 C ATOM 393 C ASP A 27 11.919 3.313 -3.546 1.00 0.00 C ATOM 394 O ASP A 27 12.215 3.209 -4.720 1.00 0.00 O ATOM 395 CB ASP A 27 12.784 5.642 -3.269 1.00 0.00 C ATOM 396 CG ASP A 27 12.444 7.042 -2.757 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.301 7.255 -2.386 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.332 7.879 -2.744 1.00 0.00 O ATOM 0 H ASP A 27 12.481 4.577 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 27 10.708 5.078 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.721 5.300 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.927 5.663 -4.349 1.00 0.00 H new ATOM 403 N LEU A 28 11.820 2.264 -2.775 1.00 0.00 N ATOM 404 CA LEU A 28 12.070 0.902 -3.325 1.00 0.00 C ATOM 405 C LEU A 28 10.793 0.373 -3.967 1.00 0.00 C ATOM 406 O LEU A 28 9.722 0.445 -3.397 1.00 0.00 O ATOM 407 CB LEU A 28 12.492 -0.036 -2.191 1.00 0.00 C ATOM 408 CG LEU A 28 12.902 -1.397 -2.767 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.301 -1.305 -3.383 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.908 -2.439 -1.646 1.00 0.00 C ATOM 0 H LEU A 28 11.576 2.292 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 28 12.862 0.952 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.323 0.400 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.670 -0.162 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 28 12.190 -1.689 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.584 -2.276 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.299 -0.564 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.017 -1.010 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.199 -3.408 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.618 -2.140 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.911 -2.512 -1.212 1.00 0.00 H new ATOM 422 N ASP A 29 10.896 -0.166 -5.148 1.00 0.00 N ATOM 423 CA ASP A 29 9.687 -0.705 -5.818 1.00 0.00 C ATOM 424 C ASP A 29 9.221 -1.943 -5.058 1.00 0.00 C ATOM 425 O ASP A 29 9.959 -2.894 -4.891 1.00 0.00 O ATOM 426 CB ASP A 29 10.021 -1.081 -7.263 1.00 0.00 C ATOM 427 CG ASP A 29 10.353 0.184 -8.056 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.085 1.262 -7.553 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.870 0.052 -9.154 1.00 0.00 O ATOM 0 H ASP A 29 11.764 -0.256 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 29 8.898 0.047 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.866 -1.769 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.177 -1.598 -7.720 1.00 0.00 H new ATOM 434 N LEU A 30 8.008 -1.940 -4.587 1.00 0.00 N ATOM 435 CA LEU A 30 7.510 -3.117 -3.830 1.00 0.00 C ATOM 436 C LEU A 30 7.274 -4.276 -4.797 1.00 0.00 C ATOM 437 O LEU A 30 6.784 -5.321 -4.419 1.00 0.00 O ATOM 438 CB LEU A 30 6.198 -2.764 -3.123 1.00 0.00 C ATOM 439 CG LEU A 30 6.402 -1.529 -2.243 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.129 -1.263 -1.438 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.567 -1.772 -1.281 1.00 0.00 C ATOM 0 H LEU A 30 7.342 -1.175 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 30 8.250 -3.406 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.417 -2.573 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.864 -3.605 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 30 6.624 -0.668 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.273 -0.383 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.297 -1.090 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.909 -2.126 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.711 -0.892 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.345 -2.633 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.476 -1.964 -1.851 1.00 0.00 H new ATOM 453 N VAL A 31 7.617 -4.103 -6.046 1.00 0.00 N ATOM 454 CA VAL A 31 7.406 -5.203 -7.025 1.00 0.00 C ATOM 455 C VAL A 31 8.067 -6.469 -6.489 1.00 0.00 C ATOM 456 O VAL A 31 7.510 -7.547 -6.547 1.00 0.00 O ATOM 457 CB VAL A 31 8.038 -4.834 -8.366 1.00 0.00 C ATOM 458 CG1 VAL A 31 7.929 -6.019 -9.327 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.311 -3.629 -8.958 1.00 0.00 C ATOM 0 H VAL A 31 8.031 -3.252 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 31 6.338 -5.366 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 31 9.089 -4.586 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.380 -5.755 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.450 -6.879 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.879 -6.269 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.762 -3.366 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.260 -3.876 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.391 -2.784 -8.274 1.00 0.00 H new ATOM 469 N ASP A 32 9.244 -6.341 -5.947 1.00 0.00 N ATOM 470 CA ASP A 32 9.928 -7.536 -5.383 1.00 0.00 C ATOM 471 C ASP A 32 8.985 -8.167 -4.364 1.00 0.00 C ATOM 472 O ASP A 32 8.908 -9.371 -4.222 1.00 0.00 O ATOM 473 CB ASP A 32 11.228 -7.112 -4.694 1.00 0.00 C ATOM 474 CG ASP A 32 12.031 -8.355 -4.308 1.00 0.00 C ATOM 475 OD1 ASP A 32 11.618 -9.441 -4.678 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.047 -8.199 -3.650 1.00 0.00 O ATOM 0 H ASP A 32 9.760 -5.465 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 32 10.172 -8.247 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.815 -6.479 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.005 -6.520 -3.806 1.00 0.00 H new ATOM 481 N ASN A 33 8.247 -7.344 -3.672 1.00 0.00 N ATOM 482 CA ASN A 33 7.274 -7.854 -2.674 1.00 0.00 C ATOM 483 C ASN A 33 5.995 -8.231 -3.420 1.00 0.00 C ATOM 484 O ASN A 33 4.940 -8.390 -2.839 1.00 0.00 O ATOM 485 CB ASN A 33 6.970 -6.757 -1.657 1.00 0.00 C ATOM 486 CG ASN A 33 8.279 -6.210 -1.089 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.415 -6.660 -1.547 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 8.269 -5.357 -0.225 1.00 0.00 N flip ATOM 0 H ASN A 33 8.279 -6.328 -3.759 1.00 0.00 H new ATOM 0 HA ASN A 33 7.678 -8.720 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.403 -5.955 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.350 -7.154 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.381 -5.005 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.148 -4.993 0.142 1.00 0.00 H new ATOM 495 N GLY A 34 6.092 -8.346 -4.717 1.00 0.00 N ATOM 496 CA GLY A 34 4.902 -8.684 -5.546 1.00 0.00 C ATOM 497 C GLY A 34 4.071 -9.772 -4.871 1.00 0.00 C ATOM 498 O GLY A 34 2.931 -9.985 -5.212 1.00 0.00 O ATOM 0 H GLY A 34 6.957 -8.218 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.292 -7.793 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.222 -9.022 -6.532 1.00 0.00 H new ATOM 502 N VAL A 35 4.609 -10.459 -3.912 1.00 0.00 N ATOM 503 CA VAL A 35 3.800 -11.514 -3.244 1.00 0.00 C ATOM 504 C VAL A 35 2.464 -10.898 -2.827 1.00 0.00 C ATOM 505 O VAL A 35 1.439 -11.551 -2.807 1.00 0.00 O ATOM 506 CB VAL A 35 4.538 -12.026 -2.009 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.382 -11.012 -0.881 1.00 0.00 C ATOM 508 CG2 VAL A 35 3.941 -13.367 -1.575 1.00 0.00 C ATOM 0 H VAL A 35 5.560 -10.342 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 35 3.635 -12.349 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 35 5.594 -12.161 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.906 -11.370 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.804 -10.056 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.324 -10.884 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.468 -13.732 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.885 -13.236 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.044 -14.090 -2.384 1.00 0.00 H new ATOM 518 N ILE A 36 2.478 -9.637 -2.500 1.00 0.00 N ATOM 519 CA ILE A 36 1.227 -8.941 -2.086 1.00 0.00 C ATOM 520 C ILE A 36 0.429 -8.504 -3.320 1.00 0.00 C ATOM 521 O ILE A 36 -0.697 -8.059 -3.220 1.00 0.00 O ATOM 522 CB ILE A 36 1.607 -7.694 -1.287 1.00 0.00 C ATOM 523 CG1 ILE A 36 0.405 -7.223 -0.478 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.036 -6.581 -2.243 1.00 0.00 C ATOM 525 CD1 ILE A 36 0.708 -5.857 0.139 1.00 0.00 C ATOM 0 H ILE A 36 3.313 -9.051 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 36 0.620 -9.619 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 36 2.431 -7.935 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.475 -7.157 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.175 -7.945 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.306 -5.694 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.896 -6.913 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.212 -6.342 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.152 -5.520 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.576 -5.938 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.916 -5.138 -0.653 1.00 0.00 H new ATOM 537 N ASP A 37 1.029 -8.572 -4.471 1.00 0.00 N ATOM 538 CA ASP A 37 0.349 -8.101 -5.714 1.00 0.00 C ATOM 539 C ASP A 37 -0.974 -8.826 -5.982 1.00 0.00 C ATOM 540 O ASP A 37 -1.919 -8.219 -6.443 1.00 0.00 O ATOM 541 CB ASP A 37 1.282 -8.303 -6.912 1.00 0.00 C ATOM 542 CG ASP A 37 1.454 -9.796 -7.224 1.00 0.00 C ATOM 543 OD1 ASP A 37 1.077 -10.607 -6.398 1.00 0.00 O ATOM 544 OD2 ASP A 37 1.981 -10.100 -8.281 1.00 0.00 O ATOM 0 H ASP A 37 1.971 -8.937 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 37 0.118 -7.045 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.878 -7.789 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.254 -7.857 -6.701 1.00 0.00 H new ATOM 549 N SER A 38 -1.051 -10.106 -5.743 1.00 0.00 N ATOM 550 CA SER A 38 -2.321 -10.837 -6.035 1.00 0.00 C ATOM 551 C SER A 38 -2.951 -11.391 -4.757 1.00 0.00 C ATOM 552 O SER A 38 -4.052 -11.029 -4.392 1.00 0.00 O ATOM 553 CB SER A 38 -2.028 -11.983 -7.003 1.00 0.00 C ATOM 554 OG SER A 38 -3.118 -12.109 -7.927 1.00 0.00 O ATOM 0 H SER A 38 -0.296 -10.676 -5.361 1.00 0.00 H new ATOM 0 HA SER A 38 -3.028 -10.138 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.099 -11.792 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.892 -12.914 -6.453 1.00 0.00 H new ATOM 0 HG SER A 38 -2.934 -12.842 -8.551 1.00 0.00 H new ATOM 559 N LEU A 39 -2.280 -12.285 -4.087 1.00 0.00 N ATOM 560 CA LEU A 39 -2.869 -12.876 -2.853 1.00 0.00 C ATOM 561 C LEU A 39 -3.101 -11.786 -1.812 1.00 0.00 C ATOM 562 O LEU A 39 -4.169 -11.670 -1.246 1.00 0.00 O ATOM 563 CB LEU A 39 -1.912 -13.929 -2.289 1.00 0.00 C ATOM 564 CG LEU A 39 -2.574 -14.663 -1.119 1.00 0.00 C ATOM 565 CD1 LEU A 39 -2.200 -16.145 -1.172 1.00 0.00 C ATOM 566 CD2 LEU A 39 -2.083 -14.067 0.204 1.00 0.00 C ATOM 0 H LEU A 39 -1.354 -12.631 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.824 -13.342 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.640 -14.640 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.990 -13.453 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.656 -14.554 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.670 -16.669 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.545 -16.574 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.117 -16.250 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.555 -14.590 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.001 -14.177 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.344 -13.009 0.246 1.00 0.00 H new ATOM 578 N GLY A 40 -2.111 -10.985 -1.558 1.00 0.00 N ATOM 579 CA GLY A 40 -2.274 -9.899 -0.558 1.00 0.00 C ATOM 580 C GLY A 40 -3.187 -8.814 -1.119 1.00 0.00 C ATOM 581 O GLY A 40 -4.065 -8.313 -0.445 1.00 0.00 O ATOM 0 H GLY A 40 -1.193 -11.035 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.695 -10.301 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.302 -9.475 -0.306 1.00 0.00 H new ATOM 585 N LEU A 41 -2.976 -8.439 -2.349 1.00 0.00 N ATOM 586 CA LEU A 41 -3.819 -7.376 -2.959 1.00 0.00 C ATOM 587 C LEU A 41 -5.285 -7.801 -2.931 1.00 0.00 C ATOM 588 O LEU A 41 -6.162 -7.010 -2.658 1.00 0.00 O ATOM 589 CB LEU A 41 -3.392 -7.163 -4.412 1.00 0.00 C ATOM 590 CG LEU A 41 -4.101 -5.935 -4.982 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.277 -4.684 -4.678 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.252 -6.091 -6.497 1.00 0.00 C ATOM 0 H LEU A 41 -2.255 -8.824 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.695 -6.452 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.312 -7.030 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.636 -8.044 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.087 -5.840 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.782 -3.808 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.169 -4.573 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.291 -4.778 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.758 -5.215 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.267 -6.186 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.840 -6.983 -6.714 1.00 0.00 H new ATOM 604 N LEU A 42 -5.561 -9.041 -3.215 1.00 0.00 N ATOM 605 CA LEU A 42 -6.979 -9.495 -3.210 1.00 0.00 C ATOM 606 C LEU A 42 -7.571 -9.258 -1.821 1.00 0.00 C ATOM 607 O LEU A 42 -8.673 -8.766 -1.681 1.00 0.00 O ATOM 608 CB LEU A 42 -7.037 -10.989 -3.548 1.00 0.00 C ATOM 609 CG LEU A 42 -8.493 -11.435 -3.692 1.00 0.00 C ATOM 610 CD1 LEU A 42 -8.970 -11.149 -5.112 1.00 0.00 C ATOM 611 CD2 LEU A 42 -8.595 -12.936 -3.413 1.00 0.00 C ATOM 0 H LEU A 42 -4.872 -9.756 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.550 -8.937 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.495 -11.182 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.546 -11.567 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.114 -10.890 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.008 -11.466 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.895 -10.080 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.349 -11.696 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.632 -13.255 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.975 -13.481 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.250 -13.142 -2.400 1.00 0.00 H new ATOM 623 N LYS A 43 -6.843 -9.591 -0.794 1.00 0.00 N ATOM 624 CA LYS A 43 -7.355 -9.370 0.582 1.00 0.00 C ATOM 625 C LYS A 43 -7.450 -7.868 0.856 1.00 0.00 C ATOM 626 O LYS A 43 -8.344 -7.404 1.535 1.00 0.00 O ATOM 627 CB LYS A 43 -6.397 -10.011 1.582 1.00 0.00 C ATOM 628 CG LYS A 43 -6.386 -11.528 1.383 1.00 0.00 C ATOM 629 CD LYS A 43 -5.517 -12.178 2.461 1.00 0.00 C ATOM 630 CE LYS A 43 -5.405 -13.679 2.191 1.00 0.00 C ATOM 631 NZ LYS A 43 -6.763 -14.293 2.225 1.00 0.00 N ATOM 0 H LYS A 43 -5.914 -10.008 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.343 -9.818 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.393 -9.609 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.703 -9.770 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.402 -11.920 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.000 -11.773 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.526 -11.724 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.952 -12.006 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.941 -13.851 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.764 -14.147 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.675 -15.324 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.299 -13.907 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.264 -14.077 1.339 1.00 0.00 H new ATOM 645 N VAL A 44 -6.519 -7.107 0.344 1.00 0.00 N ATOM 646 CA VAL A 44 -6.534 -5.634 0.587 1.00 0.00 C ATOM 647 C VAL A 44 -7.776 -4.989 -0.031 1.00 0.00 C ATOM 648 O VAL A 44 -8.446 -4.198 0.598 1.00 0.00 O ATOM 649 CB VAL A 44 -5.285 -5.011 -0.032 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.384 -3.488 0.050 1.00 0.00 C ATOM 651 CG2 VAL A 44 -4.050 -5.487 0.735 1.00 0.00 C ATOM 0 H VAL A 44 -5.748 -7.442 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.552 -5.460 1.663 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.203 -5.312 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.493 -3.041 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.266 -3.151 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.463 -3.184 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.156 -5.044 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.130 -5.183 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.982 -6.573 0.678 1.00 0.00 H new ATOM 661 N ILE A 45 -8.090 -5.302 -1.253 1.00 0.00 N ATOM 662 CA ILE A 45 -9.285 -4.684 -1.884 1.00 0.00 C ATOM 663 C ILE A 45 -10.539 -5.050 -1.089 1.00 0.00 C ATOM 664 O ILE A 45 -11.382 -4.217 -0.821 1.00 0.00 O ATOM 665 CB ILE A 45 -9.423 -5.195 -3.319 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.167 -4.848 -4.130 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.638 -4.546 -3.966 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.866 -3.350 -4.022 1.00 0.00 C ATOM 0 H ILE A 45 -7.574 -5.956 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.169 -3.600 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.544 -6.278 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.318 -5.425 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.312 -5.123 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.741 -4.907 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.533 -4.802 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.511 -3.463 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.973 -3.116 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.710 -2.780 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.700 -3.087 -2.977 1.00 0.00 H new ATOM 680 N ALA A 46 -10.674 -6.291 -0.716 1.00 0.00 N ATOM 681 CA ALA A 46 -11.879 -6.712 0.052 1.00 0.00 C ATOM 682 C ALA A 46 -11.872 -6.074 1.445 1.00 0.00 C ATOM 683 O ALA A 46 -12.877 -5.582 1.919 1.00 0.00 O ATOM 684 CB ALA A 46 -11.866 -8.233 0.197 1.00 0.00 C ATOM 0 H ALA A 46 -10.002 -7.033 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.774 -6.389 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.744 -8.553 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.880 -8.693 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.965 -8.540 0.728 1.00 0.00 H new ATOM 690 N TRP A 47 -10.749 -6.090 2.109 1.00 0.00 N ATOM 691 CA TRP A 47 -10.675 -5.499 3.475 1.00 0.00 C ATOM 692 C TRP A 47 -10.599 -3.973 3.397 1.00 0.00 C ATOM 693 O TRP A 47 -11.258 -3.270 4.138 1.00 0.00 O ATOM 694 CB TRP A 47 -9.441 -6.048 4.184 1.00 0.00 C ATOM 695 CG TRP A 47 -8.977 -5.080 5.219 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.757 -4.488 6.153 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.631 -4.589 5.437 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.965 -3.660 6.931 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.644 -3.691 6.527 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.413 -4.840 4.794 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.479 -3.061 6.965 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.237 -4.210 5.228 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.269 -3.322 6.313 1.00 0.00 C ATOM 0 H TRP A 47 -9.876 -6.489 1.763 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.572 -5.766 4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.674 -7.006 4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.646 -6.229 3.461 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.820 -4.636 6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.314 -3.097 7.707 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.378 -5.523 3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.511 -2.377 7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.303 -4.410 4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.361 -2.840 6.645 1.00 0.00 H new ATOM 714 N LEU A 48 -9.788 -3.455 2.519 1.00 0.00 N ATOM 715 CA LEU A 48 -9.653 -1.977 2.406 1.00 0.00 C ATOM 716 C LEU A 48 -11.018 -1.340 2.133 1.00 0.00 C ATOM 717 O LEU A 48 -11.376 -0.346 2.733 1.00 0.00 O ATOM 718 CB LEU A 48 -8.698 -1.650 1.258 1.00 0.00 C ATOM 719 CG LEU A 48 -8.441 -0.151 1.217 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.665 0.261 2.463 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.625 0.187 -0.031 1.00 0.00 C ATOM 0 H LEU A 48 -9.211 -3.993 1.873 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.261 -1.579 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.758 -2.186 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.125 -1.982 0.311 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.390 0.385 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.479 1.335 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.246 0.015 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.714 -0.271 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.439 1.260 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.674 -0.346 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.179 -0.113 -0.920 1.00 0.00 H new ATOM 733 N GLU A 49 -11.788 -1.902 1.243 1.00 0.00 N ATOM 734 CA GLU A 49 -13.129 -1.319 0.956 1.00 0.00 C ATOM 735 C GLU A 49 -13.996 -1.423 2.209 1.00 0.00 C ATOM 736 O GLU A 49 -14.738 -0.522 2.538 1.00 0.00 O ATOM 737 CB GLU A 49 -13.777 -2.074 -0.216 1.00 0.00 C ATOM 738 CG GLU A 49 -15.301 -1.949 -0.162 1.00 0.00 C ATOM 739 CD GLU A 49 -15.907 -2.575 -1.419 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.154 -3.126 -2.205 1.00 0.00 O ATOM 741 OE2 GLU A 49 -17.114 -2.494 -1.574 1.00 0.00 O ATOM 0 H GLU A 49 -11.549 -2.735 0.705 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.030 -0.269 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.408 -1.675 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.492 -3.125 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.686 -2.447 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.589 -0.900 -0.090 1.00 0.00 H new ATOM 748 N ASP A 50 -13.903 -2.514 2.912 1.00 0.00 N ATOM 749 CA ASP A 50 -14.716 -2.674 4.148 1.00 0.00 C ATOM 750 C ASP A 50 -14.259 -1.667 5.206 1.00 0.00 C ATOM 751 O ASP A 50 -15.056 -1.111 5.935 1.00 0.00 O ATOM 752 CB ASP A 50 -14.534 -4.090 4.689 1.00 0.00 C ATOM 753 CG ASP A 50 -15.531 -4.338 5.822 1.00 0.00 C ATOM 754 OD1 ASP A 50 -16.356 -3.471 6.059 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.453 -5.390 6.434 1.00 0.00 O ATOM 0 H ASP A 50 -13.299 -3.303 2.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.766 -2.498 3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.686 -4.817 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.515 -4.223 5.052 1.00 0.00 H new ATOM 760 N ARG A 51 -12.977 -1.447 5.308 1.00 0.00 N ATOM 761 CA ARG A 51 -12.458 -0.497 6.335 1.00 0.00 C ATOM 762 C ARG A 51 -12.994 0.919 6.096 1.00 0.00 C ATOM 763 O ARG A 51 -13.416 1.586 7.020 1.00 0.00 O ATOM 764 CB ARG A 51 -10.930 -0.476 6.279 1.00 0.00 C ATOM 765 CG ARG A 51 -10.395 0.399 7.414 1.00 0.00 C ATOM 766 CD ARG A 51 -8.868 0.446 7.350 1.00 0.00 C ATOM 767 NE ARG A 51 -8.348 1.210 8.518 1.00 0.00 N ATOM 768 CZ ARG A 51 -7.067 1.238 8.762 1.00 0.00 C ATOM 769 NH1 ARG A 51 -6.239 0.600 7.980 1.00 0.00 N ATOM 770 NH2 ARG A 51 -6.613 1.905 9.787 1.00 0.00 N ATOM 0 H ARG A 51 -12.264 -1.884 4.724 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.794 -0.832 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.537 -1.489 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.595 -0.089 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.803 1.406 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.717 0.001 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.461 -0.565 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.546 0.917 6.421 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.994 1.712 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.594 0.079 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.237 0.622 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.260 2.404 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.611 1.927 9.978 1.00 0.00 H new ATOM 784 N PHE A 52 -12.972 1.394 4.876 1.00 0.00 N ATOM 785 CA PHE A 52 -13.471 2.772 4.611 1.00 0.00 C ATOM 786 C PHE A 52 -14.827 2.712 3.905 1.00 0.00 C ATOM 787 O PHE A 52 -15.484 3.717 3.720 1.00 0.00 O ATOM 788 CB PHE A 52 -12.463 3.505 3.726 1.00 0.00 C ATOM 789 CG PHE A 52 -11.169 3.689 4.482 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.056 4.706 5.437 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.083 2.843 4.228 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.856 4.877 6.139 1.00 0.00 C ATOM 793 CE2 PHE A 52 -8.884 3.014 4.930 1.00 0.00 C ATOM 794 CZ PHE A 52 -8.770 4.031 5.885 1.00 0.00 C ATOM 0 H PHE A 52 -12.632 0.888 4.058 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.589 3.303 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.285 2.938 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.863 4.474 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.894 5.359 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.170 2.059 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.769 5.661 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.046 2.361 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.844 4.163 6.426 1.00 0.00 H new ATOM 804 N GLY A 53 -15.255 1.545 3.516 1.00 0.00 N ATOM 805 CA GLY A 53 -16.572 1.428 2.831 1.00 0.00 C ATOM 806 C GLY A 53 -16.488 2.050 1.435 1.00 0.00 C ATOM 807 O GLY A 53 -17.461 2.566 0.922 1.00 0.00 O ATOM 0 H GLY A 53 -14.751 0.667 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.861 0.380 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.343 1.929 3.417 1.00 0.00 H new ATOM 811 N ILE A 54 -15.335 2.011 0.817 1.00 0.00 N ATOM 812 CA ILE A 54 -15.197 2.609 -0.544 1.00 0.00 C ATOM 813 C ILE A 54 -14.973 1.505 -1.580 1.00 0.00 C ATOM 814 O ILE A 54 -14.314 0.519 -1.322 1.00 0.00 O ATOM 815 CB ILE A 54 -14.003 3.562 -0.551 1.00 0.00 C ATOM 816 CG1 ILE A 54 -12.726 2.774 -0.247 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.207 4.643 0.512 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.535 3.728 -0.202 1.00 0.00 C ATOM 0 H ILE A 54 -14.486 1.592 1.195 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.108 3.152 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.915 4.033 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.825 2.255 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.566 2.012 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.355 5.323 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -15.118 5.201 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.293 4.177 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.627 3.166 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.432 4.227 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.695 4.473 0.577 1.00 0.00 H new ATOM 830 N ALA A 55 -15.515 1.672 -2.755 1.00 0.00 N ATOM 831 CA ALA A 55 -15.339 0.641 -3.815 1.00 0.00 C ATOM 832 C ALA A 55 -13.857 0.515 -4.165 1.00 0.00 C ATOM 833 O ALA A 55 -13.084 1.434 -3.979 1.00 0.00 O ATOM 834 CB ALA A 55 -16.125 1.054 -5.062 1.00 0.00 C ATOM 0 H ALA A 55 -16.074 2.481 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.708 -0.319 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.997 0.300 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.182 1.143 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.756 2.014 -5.423 1.00 0.00 H new ATOM 840 N ALA A 56 -13.453 -0.618 -4.667 1.00 0.00 N ATOM 841 CA ALA A 56 -12.021 -0.806 -5.025 1.00 0.00 C ATOM 842 C ALA A 56 -11.599 0.279 -6.019 1.00 0.00 C ATOM 843 O ALA A 56 -10.457 0.690 -6.056 1.00 0.00 O ATOM 844 CB ALA A 56 -11.832 -2.181 -5.667 1.00 0.00 C ATOM 0 H ALA A 56 -14.054 -1.423 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.410 -0.736 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.783 -2.319 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.135 -2.956 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.443 -2.249 -6.567 1.00 0.00 H new ATOM 850 N ASP A 57 -12.515 0.741 -6.828 1.00 0.00 N ATOM 851 CA ASP A 57 -12.174 1.796 -7.825 1.00 0.00 C ATOM 852 C ASP A 57 -11.003 1.322 -8.685 1.00 0.00 C ATOM 853 O ASP A 57 -10.062 2.051 -8.930 1.00 0.00 O ATOM 854 CB ASP A 57 -11.791 3.086 -7.100 1.00 0.00 C ATOM 855 CG ASP A 57 -13.005 3.627 -6.343 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.101 3.165 -6.614 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.818 4.495 -5.506 1.00 0.00 O ATOM 0 H ASP A 57 -13.487 0.432 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.038 1.987 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.972 2.896 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.437 3.827 -7.817 1.00 0.00 H new ATOM 862 N ASP A 58 -11.053 0.101 -9.143 1.00 0.00 N ATOM 863 CA ASP A 58 -9.945 -0.427 -9.986 1.00 0.00 C ATOM 864 C ASP A 58 -10.477 -1.544 -10.890 1.00 0.00 C ATOM 865 O ASP A 58 -10.370 -2.714 -10.581 1.00 0.00 O ATOM 866 CB ASP A 58 -8.840 -0.970 -9.077 1.00 0.00 C ATOM 867 CG ASP A 58 -9.406 -2.067 -8.172 1.00 0.00 C ATOM 868 OD1 ASP A 58 -10.570 -2.397 -8.327 1.00 0.00 O ATOM 869 OD2 ASP A 58 -8.668 -2.550 -7.329 1.00 0.00 O ATOM 0 H ASP A 58 -11.815 -0.554 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.541 0.371 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.024 -1.368 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.426 -0.164 -8.471 1.00 0.00 H new ATOM 874 N VAL A 59 -11.056 -1.189 -12.005 1.00 0.00 N ATOM 875 CA VAL A 59 -11.605 -2.226 -12.925 1.00 0.00 C ATOM 876 C VAL A 59 -10.489 -3.161 -13.395 1.00 0.00 C ATOM 877 O VAL A 59 -10.662 -4.363 -13.448 1.00 0.00 O ATOM 878 CB VAL A 59 -12.237 -1.544 -14.136 1.00 0.00 C ATOM 879 CG1 VAL A 59 -12.618 -2.598 -15.177 1.00 0.00 C ATOM 880 CG2 VAL A 59 -13.491 -0.785 -13.697 1.00 0.00 C ATOM 0 H VAL A 59 -11.173 -0.225 -12.319 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.357 -2.810 -12.394 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.522 -0.846 -14.572 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.069 -2.110 -16.041 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.725 -3.139 -15.491 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.332 -3.298 -14.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.943 -0.298 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.205 -1.483 -13.260 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -13.220 -0.032 -12.957 1.00 0.00 H new ATOM 890 N GLU A 60 -9.350 -2.622 -13.741 1.00 0.00 N ATOM 891 CA GLU A 60 -8.225 -3.483 -14.214 1.00 0.00 C ATOM 892 C GLU A 60 -6.989 -3.258 -13.342 1.00 0.00 C ATOM 893 O GLU A 60 -6.663 -2.143 -12.986 1.00 0.00 O ATOM 894 CB GLU A 60 -7.891 -3.134 -15.665 1.00 0.00 C ATOM 895 CG GLU A 60 -6.820 -4.087 -16.180 1.00 0.00 C ATOM 896 CD GLU A 60 -6.426 -3.696 -17.606 1.00 0.00 C ATOM 897 OE1 GLU A 60 -6.963 -2.719 -18.100 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.594 -4.380 -18.178 1.00 0.00 O ATOM 0 H GLU A 60 -9.149 -1.622 -13.717 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.525 -4.529 -14.146 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.786 -3.206 -16.283 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.540 -2.104 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.946 -4.054 -15.529 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.192 -5.111 -16.163 1.00 0.00 H new ATOM 905 N LEU A 61 -6.297 -4.312 -13.002 1.00 0.00 N ATOM 906 CA LEU A 61 -5.077 -4.170 -12.161 1.00 0.00 C ATOM 907 C LEU A 61 -3.838 -4.423 -13.023 1.00 0.00 C ATOM 908 O LEU A 61 -3.807 -5.336 -13.824 1.00 0.00 O ATOM 909 CB LEU A 61 -5.124 -5.192 -11.023 1.00 0.00 C ATOM 910 CG LEU A 61 -6.465 -5.094 -10.300 1.00 0.00 C ATOM 911 CD1 LEU A 61 -6.426 -5.943 -9.028 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.745 -3.636 -9.935 1.00 0.00 C ATOM 0 H LEU A 61 -6.526 -5.268 -13.272 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.033 -3.164 -11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.986 -6.198 -11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.308 -5.010 -10.323 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.256 -5.461 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.384 -5.872 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.232 -6.983 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.634 -5.580 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.703 -3.568 -9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.954 -3.266 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.778 -3.034 -10.843 1.00 0.00 H new ATOM 924 N SER A 62 -2.815 -3.625 -12.868 1.00 0.00 N ATOM 925 CA SER A 62 -1.586 -3.828 -13.682 1.00 0.00 C ATOM 926 C SER A 62 -0.346 -3.616 -12.804 1.00 0.00 C ATOM 927 O SER A 62 -0.385 -2.884 -11.835 1.00 0.00 O ATOM 928 CB SER A 62 -1.574 -2.824 -14.831 1.00 0.00 C ATOM 929 OG SER A 62 -0.230 -2.527 -15.186 1.00 0.00 O ATOM 0 H SER A 62 -2.779 -2.843 -12.214 1.00 0.00 H new ATOM 0 HA SER A 62 -1.575 -4.842 -14.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.107 -3.232 -15.690 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.094 -1.912 -14.537 1.00 0.00 H new ATOM 0 HG SER A 62 -0.025 -2.930 -16.055 1.00 0.00 H new ATOM 935 N PRO A 63 0.749 -4.250 -13.144 1.00 0.00 N ATOM 936 CA PRO A 63 2.023 -4.124 -12.376 1.00 0.00 C ATOM 937 C PRO A 63 2.560 -2.693 -12.375 1.00 0.00 C ATOM 938 O PRO A 63 3.241 -2.276 -11.461 1.00 0.00 O ATOM 939 CB PRO A 63 2.999 -5.057 -13.103 1.00 0.00 C ATOM 940 CG PRO A 63 2.404 -5.304 -14.450 1.00 0.00 C ATOM 941 CD PRO A 63 0.894 -5.152 -14.295 1.00 0.00 C ATOM 0 HA PRO A 63 1.880 -4.383 -11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.985 -4.600 -13.189 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.127 -5.991 -12.556 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.792 -4.594 -15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.658 -6.301 -14.809 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.440 -4.732 -15.192 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.412 -6.113 -14.114 1.00 0.00 H new ATOM 949 N GLU A 64 2.257 -1.941 -13.394 1.00 0.00 N ATOM 950 CA GLU A 64 2.749 -0.537 -13.464 1.00 0.00 C ATOM 951 C GLU A 64 2.205 0.266 -12.280 1.00 0.00 C ATOM 952 O GLU A 64 2.811 1.220 -11.834 1.00 0.00 O ATOM 953 CB GLU A 64 2.274 0.100 -14.768 1.00 0.00 C ATOM 954 CG GLU A 64 2.904 -0.626 -15.951 1.00 0.00 C ATOM 955 CD GLU A 64 2.488 0.058 -17.254 1.00 0.00 C ATOM 956 OE1 GLU A 64 1.631 0.924 -17.198 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.033 -0.296 -18.287 1.00 0.00 O ATOM 0 H GLU A 64 1.687 -2.239 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 64 3.838 -0.536 -13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.187 0.050 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.546 1.155 -14.789 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.990 -0.622 -15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.589 -1.669 -15.960 1.00 0.00 H new ATOM 964 N HIS A 65 1.058 -0.101 -11.781 1.00 0.00 N ATOM 965 CA HIS A 65 0.461 0.655 -10.641 1.00 0.00 C ATOM 966 C HIS A 65 1.224 0.387 -9.336 1.00 0.00 C ATOM 967 O HIS A 65 1.202 1.191 -8.426 1.00 0.00 O ATOM 968 CB HIS A 65 -0.997 0.225 -10.466 1.00 0.00 C ATOM 969 CG HIS A 65 -1.622 1.010 -9.347 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.865 2.373 -9.444 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.061 0.638 -8.100 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.426 2.768 -8.286 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.566 1.750 -7.436 1.00 0.00 N ATOM 0 H HIS A 65 0.506 -0.892 -12.112 1.00 0.00 H new ATOM 0 HA HIS A 65 0.523 1.720 -10.863 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.549 0.389 -11.392 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.049 -0.842 -10.249 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.020 -0.363 -7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.726 3.783 -8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.961 1.781 -6.496 1.00 0.00 H new ATOM 982 N PHE A 66 1.864 -0.745 -9.219 1.00 0.00 N ATOM 983 CA PHE A 66 2.584 -1.068 -7.948 1.00 0.00 C ATOM 984 C PHE A 66 4.105 -0.944 -8.111 1.00 0.00 C ATOM 985 O PHE A 66 4.856 -1.355 -7.250 1.00 0.00 O ATOM 986 CB PHE A 66 2.237 -2.500 -7.549 1.00 0.00 C ATOM 987 CG PHE A 66 0.747 -2.611 -7.339 1.00 0.00 C ATOM 988 CD1 PHE A 66 -0.090 -2.894 -8.425 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.199 -2.422 -6.063 1.00 0.00 C ATOM 990 CE1 PHE A 66 -1.473 -2.991 -8.237 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.185 -2.517 -5.876 1.00 0.00 C ATOM 992 CZ PHE A 66 -2.021 -2.801 -6.964 1.00 0.00 C ATOM 0 H PHE A 66 1.921 -1.460 -9.945 1.00 0.00 H new ATOM 0 HA PHE A 66 2.272 -0.359 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.559 -3.194 -8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.766 -2.774 -6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.332 -3.038 -9.409 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.844 -2.203 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.118 -3.213 -9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.608 -2.371 -4.893 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.089 -2.873 -6.820 1.00 0.00 H new ATOM 1002 N ARG A 67 4.575 -0.395 -9.196 1.00 0.00 N ATOM 1003 CA ARG A 67 6.053 -0.273 -9.374 1.00 0.00 C ATOM 1004 C ARG A 67 6.671 0.510 -8.213 1.00 0.00 C ATOM 1005 O ARG A 67 7.799 0.273 -7.831 1.00 0.00 O ATOM 1006 CB ARG A 67 6.366 0.440 -10.692 1.00 0.00 C ATOM 1007 CG ARG A 67 6.031 -0.476 -11.869 1.00 0.00 C ATOM 1008 CD ARG A 67 7.159 -1.492 -12.089 1.00 0.00 C ATOM 1009 NE ARG A 67 6.947 -2.188 -13.389 1.00 0.00 N ATOM 1010 CZ ARG A 67 7.924 -2.856 -13.939 1.00 0.00 C ATOM 1011 NH1 ARG A 67 9.087 -2.915 -13.350 1.00 0.00 N ATOM 1012 NH2 ARG A 67 7.738 -3.465 -15.078 1.00 0.00 N ATOM 0 H ARG A 67 4.009 -0.028 -9.961 1.00 0.00 H new ATOM 0 HA ARG A 67 6.480 -1.276 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.790 1.363 -10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.419 0.718 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.094 -0.998 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.886 0.118 -12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.125 -0.987 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.176 -2.216 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 67 6.038 -2.142 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.232 -2.439 -12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.851 -3.437 -13.780 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.829 -3.419 -15.538 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.502 -3.987 -15.508 1.00 0.00 H new ATOM 1026 N SER A 68 5.956 1.443 -7.652 1.00 0.00 N ATOM 1027 CA SER A 68 6.534 2.231 -6.524 1.00 0.00 C ATOM 1028 C SER A 68 5.428 2.692 -5.571 1.00 0.00 C ATOM 1029 O SER A 68 4.284 2.841 -5.951 1.00 0.00 O ATOM 1030 CB SER A 68 7.262 3.454 -7.082 1.00 0.00 C ATOM 1031 OG SER A 68 6.309 4.363 -7.617 1.00 0.00 O ATOM 0 H SER A 68 5.005 1.694 -7.921 1.00 0.00 H new ATOM 0 HA SER A 68 7.232 1.599 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.841 3.937 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.967 3.150 -7.856 1.00 0.00 H new ATOM 0 HG SER A 68 6.772 5.149 -7.974 1.00 0.00 H new ATOM 1037 N ILE A 69 5.773 2.924 -4.332 1.00 0.00 N ATOM 1038 CA ILE A 69 4.770 3.383 -3.337 1.00 0.00 C ATOM 1039 C ILE A 69 4.269 4.784 -3.699 1.00 0.00 C ATOM 1040 O ILE A 69 3.118 5.115 -3.492 1.00 0.00 O ATOM 1041 CB ILE A 69 5.430 3.423 -1.961 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.909 2.027 -1.584 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.422 3.894 -0.929 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.754 2.101 -0.311 1.00 0.00 C ATOM 0 H ILE A 69 6.719 2.813 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 69 3.923 2.697 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 69 6.277 4.108 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.055 1.368 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.496 1.601 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.893 3.922 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.071 4.892 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.577 3.206 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.096 1.101 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.616 2.745 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.153 2.509 0.502 1.00 0.00 H new ATOM 1056 N ARG A 70 5.131 5.617 -4.214 1.00 0.00 N ATOM 1057 CA ARG A 70 4.714 7.006 -4.563 1.00 0.00 C ATOM 1058 C ARG A 70 3.595 6.981 -5.607 1.00 0.00 C ATOM 1059 O ARG A 70 2.683 7.782 -5.563 1.00 0.00 O ATOM 1060 CB ARG A 70 5.915 7.767 -5.127 1.00 0.00 C ATOM 1061 CG ARG A 70 6.988 7.904 -4.045 1.00 0.00 C ATOM 1062 CD ARG A 70 8.135 8.769 -4.570 1.00 0.00 C ATOM 1063 NE ARG A 70 8.672 8.173 -5.826 1.00 0.00 N ATOM 1064 CZ ARG A 70 9.748 8.666 -6.375 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.354 9.682 -5.824 1.00 0.00 N ATOM 1066 NH2 ARG A 70 10.217 8.144 -7.475 1.00 0.00 N ATOM 0 H ARG A 70 6.108 5.396 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 70 4.347 7.501 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.320 7.240 -5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.604 8.753 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.560 8.353 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.361 6.920 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.783 9.783 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.924 8.839 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 70 8.198 7.379 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.986 10.090 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.195 10.068 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.742 7.351 -7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.058 8.529 -7.904 1.00 0.00 H new ATOM 1080 N SER A 71 3.650 6.078 -6.546 1.00 0.00 N ATOM 1081 CA SER A 71 2.580 6.028 -7.578 1.00 0.00 C ATOM 1082 C SER A 71 1.238 5.735 -6.904 1.00 0.00 C ATOM 1083 O SER A 71 0.225 6.318 -7.235 1.00 0.00 O ATOM 1084 CB SER A 71 2.902 4.921 -8.581 1.00 0.00 C ATOM 1085 OG SER A 71 2.768 3.657 -7.944 1.00 0.00 O ATOM 0 H SER A 71 4.385 5.377 -6.643 1.00 0.00 H new ATOM 0 HA SER A 71 2.523 6.985 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.230 4.983 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.916 5.043 -8.962 1.00 0.00 H new ATOM 0 HG SER A 71 3.569 3.473 -7.410 1.00 0.00 H new ATOM 1091 N ILE A 72 1.227 4.841 -5.954 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.036 4.513 -5.249 1.00 0.00 C ATOM 1093 C ILE A 72 -0.476 5.707 -4.399 1.00 0.00 C ATOM 1094 O ILE A 72 -1.648 6.009 -4.290 1.00 0.00 O ATOM 1095 CB ILE A 72 0.200 3.303 -4.348 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.655 2.114 -5.199 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.095 2.948 -3.630 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.014 0.940 -4.286 1.00 0.00 C ATOM 0 H ILE A 72 2.046 4.322 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.816 4.286 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 72 0.970 3.539 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.137 1.823 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.517 2.395 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.929 2.084 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.419 3.795 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.865 2.711 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.338 0.094 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.820 1.235 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.140 0.654 -3.701 1.00 0.00 H new ATOM 1110 N ASP A 73 0.459 6.379 -3.786 1.00 0.00 N ATOM 1111 CA ASP A 73 0.107 7.546 -2.928 1.00 0.00 C ATOM 1112 C ASP A 73 -0.684 8.577 -3.734 1.00 0.00 C ATOM 1113 O ASP A 73 -1.639 9.153 -3.252 1.00 0.00 O ATOM 1114 CB ASP A 73 1.391 8.195 -2.407 1.00 0.00 C ATOM 1115 CG ASP A 73 1.040 9.277 -1.386 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.117 9.353 -1.007 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.933 10.013 -1.000 1.00 0.00 O ATOM 0 H ASP A 73 1.456 6.169 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.504 7.201 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.031 7.442 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.953 8.629 -3.234 1.00 0.00 H new ATOM 1122 N ALA A 74 -0.295 8.824 -4.954 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.029 9.828 -5.773 1.00 0.00 C ATOM 1124 C ALA A 74 -2.444 9.329 -6.062 1.00 0.00 C ATOM 1125 O ALA A 74 -3.403 10.072 -5.981 1.00 0.00 O ATOM 1126 CB ALA A 74 -0.288 10.054 -7.092 1.00 0.00 C ATOM 0 H ALA A 74 0.496 8.376 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.085 10.766 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.826 10.789 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.718 10.420 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.227 9.114 -7.641 1.00 0.00 H new ATOM 1132 N PHE A 75 -2.585 8.080 -6.400 1.00 0.00 N ATOM 1133 CA PHE A 75 -3.941 7.541 -6.695 1.00 0.00 C ATOM 1134 C PHE A 75 -4.809 7.615 -5.438 1.00 0.00 C ATOM 1135 O PHE A 75 -5.943 8.050 -5.480 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.823 6.088 -7.150 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.179 5.583 -7.580 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.633 5.819 -8.883 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.984 4.879 -6.676 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.890 5.351 -9.283 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.241 4.411 -7.075 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.694 4.647 -8.379 1.00 0.00 C ATOM 0 H PHE A 75 -1.822 7.409 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.401 8.133 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.116 6.011 -7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.434 5.472 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.013 6.363 -9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.635 4.697 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.239 5.533 -10.289 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.862 3.868 -6.378 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.664 4.286 -8.687 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.288 7.189 -4.320 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.081 7.231 -3.066 1.00 0.00 C ATOM 1154 C VAL A 76 -5.356 8.684 -2.670 1.00 0.00 C ATOM 1155 O VAL A 76 -6.456 9.033 -2.292 1.00 0.00 O ATOM 1156 CB VAL A 76 -4.292 6.535 -1.958 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -4.997 6.748 -0.624 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.210 5.036 -2.256 1.00 0.00 C ATOM 0 H VAL A 76 -3.345 6.813 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.033 6.722 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.286 6.952 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.435 6.252 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.059 7.815 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.002 6.329 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.647 4.538 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.216 4.619 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.708 4.882 -3.211 1.00 0.00 H new ATOM 1168 N VAL A 77 -4.370 9.537 -2.753 1.00 0.00 N ATOM 1169 CA VAL A 77 -4.586 10.959 -2.380 1.00 0.00 C ATOM 1170 C VAL A 77 -5.623 11.585 -3.313 1.00 0.00 C ATOM 1171 O VAL A 77 -6.472 12.347 -2.894 1.00 0.00 O ATOM 1172 CB VAL A 77 -3.266 11.715 -2.506 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -3.535 13.213 -2.438 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -2.335 11.316 -1.358 1.00 0.00 C ATOM 0 H VAL A 77 -3.426 9.308 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.947 11.016 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.796 11.468 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.594 13.756 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.199 13.501 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.004 13.455 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.393 11.856 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.805 11.563 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.144 10.244 -1.401 1.00 0.00 H new ATOM 1184 N GLY A 78 -5.555 11.275 -4.576 1.00 0.00 N ATOM 1185 CA GLY A 78 -6.527 11.855 -5.542 1.00 0.00 C ATOM 1186 C GLY A 78 -7.959 11.503 -5.131 1.00 0.00 C ATOM 1187 O GLY A 78 -8.878 12.264 -5.363 1.00 0.00 O ATOM 0 H GLY A 78 -4.866 10.643 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.409 12.938 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.325 11.475 -6.544 1.00 0.00 H new ATOM 1191 N ALA A 79 -8.164 10.355 -4.539 1.00 0.00 N ATOM 1192 CA ALA A 79 -9.548 9.966 -4.140 1.00 0.00 C ATOM 1193 C ALA A 79 -9.740 10.124 -2.630 1.00 0.00 C ATOM 1194 O ALA A 79 -10.692 10.729 -2.178 1.00 0.00 O ATOM 1195 CB ALA A 79 -9.794 8.508 -4.530 1.00 0.00 C ATOM 0 H ALA A 79 -7.438 9.674 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.256 10.617 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.804 8.219 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.680 8.395 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.074 7.868 -4.020 1.00 0.00 H new ATOM 1201 N THR A 80 -8.855 9.580 -1.845 1.00 0.00 N ATOM 1202 CA THR A 80 -9.005 9.697 -0.366 1.00 0.00 C ATOM 1203 C THR A 80 -7.646 9.525 0.312 1.00 0.00 C ATOM 1204 O THR A 80 -6.859 8.680 -0.063 1.00 0.00 O ATOM 1205 CB THR A 80 -9.962 8.615 0.133 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.194 8.714 -0.568 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.207 8.796 1.631 1.00 0.00 C ATOM 0 H THR A 80 -8.036 9.060 -2.160 1.00 0.00 H new ATOM 0 HA THR A 80 -9.403 10.682 -0.123 1.00 0.00 H new ATOM 0 HB THR A 80 -9.522 7.633 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.293 9.620 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.890 8.023 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.261 8.717 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.645 9.777 1.812 1.00 0.00 H new ATOM 1215 N THR A 81 -7.370 10.312 1.316 1.00 0.00 N ATOM 1216 CA THR A 81 -6.069 10.192 2.030 1.00 0.00 C ATOM 1217 C THR A 81 -6.335 9.936 3.518 1.00 0.00 C ATOM 1218 O THR A 81 -6.412 10.856 4.307 1.00 0.00 O ATOM 1219 CB THR A 81 -5.286 11.496 1.867 1.00 0.00 C ATOM 1220 OG1 THR A 81 -4.176 11.494 2.753 1.00 0.00 O ATOM 1221 CG2 THR A 81 -6.197 12.683 2.185 1.00 0.00 C ATOM 0 H THR A 81 -7.993 11.036 1.673 1.00 0.00 H new ATOM 0 HA THR A 81 -5.491 9.366 1.615 1.00 0.00 H new ATOM 0 HB THR A 81 -4.930 11.581 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.800 12.397 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.638 13.612 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.047 12.683 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.556 12.602 3.211 1.00 0.00 H new