USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.12 K(o=-3.3,f=-1) USER MOD Set 1.2: A 19 MET CE :methyl -173:sc= -1.17 (180deg=-0.339) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.174 (180deg=-0.666) USER MOD Single : A 5 THR OG1 : rot -10:sc= 0.311 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 107:sc= 0.934 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.298 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00844 (180deg=-0.232) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.812 -1.409 91.572 1.00 0.00 N ATOM 2 CA GLY A 1 -23.245 -0.027 91.615 1.00 0.00 C ATOM 3 C GLY A 1 -22.597 0.757 90.485 1.00 0.00 C ATOM 4 O GLY A 1 -21.829 0.210 89.697 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.639 -2.035 91.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.326 -1.593 90.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.160 -1.593 92.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.330 0.025 91.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.979 0.416 92.575 1.00 0.00 H new ATOM 8 N VAL A 2 -22.920 2.046 90.420 1.00 0.00 N ATOM 9 CA VAL A 2 -22.383 2.934 89.394 1.00 0.00 C ATOM 10 C VAL A 2 -20.901 3.180 89.625 1.00 0.00 C ATOM 11 O VAL A 2 -20.098 3.151 88.693 1.00 0.00 O ATOM 12 CB VAL A 2 -23.096 4.299 89.400 1.00 0.00 C ATOM 13 CG1 VAL A 2 -22.400 5.267 88.456 1.00 0.00 C ATOM 14 CG2 VAL A 2 -24.541 4.147 88.952 1.00 0.00 C ATOM 0 H VAL A 2 -23.557 2.502 91.073 1.00 0.00 H new ATOM 0 HA VAL A 2 -22.544 2.443 88.434 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.063 4.686 90.418 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -22.917 6.226 88.473 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.367 5.406 88.774 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.417 4.863 87.444 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -25.030 5.121 88.962 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -24.568 3.738 87.942 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -25.063 3.472 89.630 1.00 0.00 H new ATOM 24 N ILE A 3 -20.548 3.423 90.884 1.00 0.00 N ATOM 25 CA ILE A 3 -19.164 3.679 91.271 1.00 0.00 C ATOM 26 C ILE A 3 -18.315 2.435 91.063 1.00 0.00 C ATOM 27 O ILE A 3 -17.171 2.513 90.619 1.00 0.00 O ATOM 28 CB ILE A 3 -19.058 4.083 92.753 1.00 0.00 C ATOM 29 CG1 ILE A 3 -19.722 5.441 92.985 1.00 0.00 C ATOM 30 CG2 ILE A 3 -17.600 4.181 93.176 1.00 0.00 C ATOM 31 CD1 ILE A 3 -19.882 5.802 94.446 1.00 0.00 C ATOM 0 H ILE A 3 -21.209 3.448 91.661 1.00 0.00 H new ATOM 0 HA ILE A 3 -18.806 4.496 90.645 1.00 0.00 H new ATOM 0 HB ILE A 3 -19.563 3.318 93.343 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.131 6.213 92.493 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -20.704 5.441 92.511 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -17.544 4.468 94.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.115 3.215 93.037 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -17.094 4.931 92.568 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -20.360 6.778 94.529 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -20.499 5.052 94.941 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -18.902 5.836 94.922 1.00 0.00 H new ATOM 43 N ASP A 4 -18.893 1.283 91.391 1.00 0.00 N ATOM 44 CA ASP A 4 -18.211 0.001 91.251 1.00 0.00 C ATOM 45 C ASP A 4 -17.650 -0.153 89.846 1.00 0.00 C ATOM 46 O ASP A 4 -16.540 -0.646 89.655 1.00 0.00 O ATOM 47 CB ASP A 4 -19.180 -1.153 91.514 1.00 0.00 C ATOM 48 CG ASP A 4 -19.562 -1.272 92.976 1.00 0.00 C ATOM 49 OD1 ASP A 4 -20.229 -2.264 93.337 1.00 0.00 O ATOM 50 OD2 ASP A 4 -19.194 -0.373 93.761 1.00 0.00 O ATOM 0 H ASP A 4 -19.842 1.212 91.759 1.00 0.00 H new ATOM 0 HA ASP A 4 -17.399 -0.025 91.978 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.081 -1.009 90.918 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.725 -2.087 91.184 1.00 0.00 H new ATOM 56 N THR A 5 -18.437 0.276 88.863 1.00 0.00 N ATOM 57 CA THR A 5 -18.045 0.198 87.459 1.00 0.00 C ATOM 58 C THR A 5 -17.419 1.508 87.008 1.00 0.00 C ATOM 59 O THR A 5 -16.997 1.650 85.862 1.00 0.00 O ATOM 60 CB THR A 5 -19.255 -0.086 86.550 1.00 0.00 C ATOM 61 OG1 THR A 5 -20.205 0.981 86.666 1.00 0.00 O ATOM 62 CG2 THR A 5 -19.928 -1.390 86.952 1.00 0.00 C ATOM 0 H THR A 5 -19.359 0.685 89.016 1.00 0.00 H new ATOM 0 HA THR A 5 -17.327 -0.618 87.375 1.00 0.00 H new ATOM 0 HB THR A 5 -18.904 -0.165 85.521 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.952 1.565 87.411 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.781 -1.575 86.299 1.00 0.00 H new ATOM 0 HG22 THR A 5 -19.216 -2.210 86.860 1.00 0.00 H new ATOM 0 HG23 THR A 5 -20.270 -1.320 87.985 1.00 0.00 H new ATOM 70 N SER A 6 -17.365 2.467 87.929 1.00 0.00 N ATOM 71 CA SER A 6 -16.795 3.782 87.653 1.00 0.00 C ATOM 72 C SER A 6 -15.438 3.644 86.981 1.00 0.00 C ATOM 73 O SER A 6 -15.230 4.115 85.864 1.00 0.00 O ATOM 74 CB SER A 6 -16.613 4.571 88.951 1.00 0.00 C ATOM 75 OG SER A 6 -16.052 5.847 88.699 1.00 0.00 O ATOM 0 H SER A 6 -17.713 2.355 88.881 1.00 0.00 H new ATOM 0 HA SER A 6 -17.483 4.310 86.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.576 4.686 89.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.968 4.015 89.631 1.00 0.00 H new ATOM 0 HG SER A 6 -15.948 6.331 89.545 1.00 0.00 H new ATOM 81 N ALA A 7 -14.515 2.989 87.680 1.00 0.00 N ATOM 82 CA ALA A 7 -13.163 2.772 87.174 1.00 0.00 C ATOM 83 C ALA A 7 -13.200 1.980 85.877 1.00 0.00 C ATOM 84 O ALA A 7 -12.470 2.272 84.931 1.00 0.00 O ATOM 85 CB ALA A 7 -12.335 1.997 88.188 1.00 0.00 C ATOM 0 H ALA A 7 -14.681 2.596 88.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.713 3.749 86.997 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.330 1.843 87.796 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.279 2.561 89.119 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.802 1.031 88.377 1.00 0.00 H new ATOM 91 N VAL A 8 -14.064 0.969 85.846 1.00 0.00 N ATOM 92 CA VAL A 8 -14.221 0.113 84.674 1.00 0.00 C ATOM 93 C VAL A 8 -14.721 0.920 83.488 1.00 0.00 C ATOM 94 O VAL A 8 -14.263 0.744 82.360 1.00 0.00 O ATOM 95 CB VAL A 8 -15.230 -1.021 84.934 1.00 0.00 C ATOM 96 CG1 VAL A 8 -15.535 -1.769 83.645 1.00 0.00 C ATOM 97 CG2 VAL A 8 -14.671 -2.011 85.944 1.00 0.00 C ATOM 0 H VAL A 8 -14.671 0.721 86.627 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.241 -0.313 84.460 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.142 -0.570 85.325 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.250 -2.567 83.848 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.959 -1.079 82.915 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.615 -2.198 83.247 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.398 -2.805 86.115 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.747 -2.442 85.558 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.467 -1.497 86.883 1.00 0.00 H new ATOM 107 N GLU A 9 -15.671 1.811 83.758 1.00 0.00 N ATOM 108 CA GLU A 9 -16.256 2.666 82.728 1.00 0.00 C ATOM 109 C GLU A 9 -15.175 3.475 82.031 1.00 0.00 C ATOM 110 O GLU A 9 -15.212 3.675 80.818 1.00 0.00 O ATOM 111 CB GLU A 9 -17.264 3.637 83.346 1.00 0.00 C ATOM 112 CG GLU A 9 -17.975 4.521 82.335 1.00 0.00 C ATOM 113 CD GLU A 9 -19.001 5.433 82.978 1.00 0.00 C ATOM 114 OE1 GLU A 9 -19.154 5.375 84.216 1.00 0.00 O ATOM 115 OE2 GLU A 9 -19.652 6.206 82.244 1.00 0.00 O ATOM 0 H GLU A 9 -16.055 1.961 84.691 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.758 2.021 82.007 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.009 3.066 83.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.747 4.271 84.066 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.239 5.125 81.805 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.467 3.894 81.592 1.00 0.00 H new ATOM 123 N SER A 10 -14.209 3.940 82.817 1.00 0.00 N ATOM 124 CA SER A 10 -13.098 4.735 82.301 1.00 0.00 C ATOM 125 C SER A 10 -12.032 3.835 81.700 1.00 0.00 C ATOM 126 O SER A 10 -11.553 4.067 80.591 1.00 0.00 O ATOM 127 CB SER A 10 -12.460 5.556 83.423 1.00 0.00 C ATOM 128 OG SER A 10 -13.377 6.500 83.950 1.00 0.00 O ATOM 0 H SER A 10 -14.173 3.778 83.823 1.00 0.00 H new ATOM 0 HA SER A 10 -13.495 5.401 81.535 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.122 4.891 84.217 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.579 6.073 83.043 1.00 0.00 H new ATOM 0 HG SER A 10 -12.945 7.011 84.667 1.00 0.00 H new ATOM 134 N ALA A 11 -11.664 2.799 82.451 1.00 0.00 N ATOM 135 CA ALA A 11 -10.652 1.841 82.016 1.00 0.00 C ATOM 136 C ALA A 11 -11.150 1.046 80.820 1.00 0.00 C ATOM 137 O ALA A 11 -10.398 0.757 79.891 1.00 0.00 O ATOM 138 CB ALA A 11 -10.325 0.868 83.139 1.00 0.00 C ATOM 0 H ALA A 11 -12.056 2.601 83.372 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.759 2.402 81.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.569 0.160 82.799 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.945 1.419 83.999 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.227 0.326 83.425 1.00 0.00 H new ATOM 144 N ILE A 12 -12.432 0.696 80.856 1.00 0.00 N ATOM 145 CA ILE A 12 -13.063 -0.069 79.785 1.00 0.00 C ATOM 146 C ILE A 12 -13.135 0.758 78.512 1.00 0.00 C ATOM 147 O ILE A 12 -12.815 0.281 77.424 1.00 0.00 O ATOM 148 CB ILE A 12 -14.497 -0.488 80.160 1.00 0.00 C ATOM 149 CG1 ILE A 12 -14.475 -1.490 81.315 1.00 0.00 C ATOM 150 CG2 ILE A 12 -15.190 -1.137 78.972 1.00 0.00 C ATOM 151 CD1 ILE A 12 -13.731 -2.769 81.001 1.00 0.00 C ATOM 0 H ILE A 12 -13.060 0.933 81.624 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.453 -0.959 79.629 1.00 0.00 H new ATOM 0 HB ILE A 12 -15.039 0.409 80.458 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -14.016 -1.018 82.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -15.501 -1.736 81.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -16.202 -1.427 79.255 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -15.233 -0.429 78.145 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.632 -2.021 78.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.759 -3.429 81.868 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.202 -3.265 80.152 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.695 -2.536 80.756 1.00 0.00 H new ATOM 163 N THR A 13 -13.562 2.009 78.663 1.00 0.00 N ATOM 164 CA THR A 13 -13.688 2.932 77.538 1.00 0.00 C ATOM 165 C THR A 13 -12.324 3.222 76.932 1.00 0.00 C ATOM 166 O THR A 13 -12.166 3.264 75.713 1.00 0.00 O ATOM 167 CB THR A 13 -14.307 4.273 77.975 1.00 0.00 C ATOM 168 OG1 THR A 13 -15.629 4.050 78.482 1.00 0.00 O ATOM 169 CG2 THR A 13 -14.387 5.231 76.796 1.00 0.00 C ATOM 0 H THR A 13 -13.829 2.410 79.562 1.00 0.00 H new ATOM 0 HA THR A 13 -14.338 2.452 76.806 1.00 0.00 H new ATOM 0 HB THR A 13 -13.677 4.709 78.750 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.627 4.150 79.457 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.827 6.174 77.122 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.385 5.413 76.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.006 4.793 76.013 1.00 0.00 H new ATOM 177 N ASP A 14 -11.338 3.421 77.803 1.00 0.00 N ATOM 178 CA ASP A 14 -9.971 3.710 77.381 1.00 0.00 C ATOM 179 C ASP A 14 -9.349 2.492 76.720 1.00 0.00 C ATOM 180 O ASP A 14 -8.789 2.577 75.628 1.00 0.00 O ATOM 181 CB ASP A 14 -9.110 4.099 78.584 1.00 0.00 C ATOM 182 CG ASP A 14 -9.462 5.467 79.135 1.00 0.00 C ATOM 183 OD1 ASP A 14 -8.738 5.952 80.029 1.00 0.00 O ATOM 184 OD2 ASP A 14 -10.463 6.054 78.671 1.00 0.00 O ATOM 0 H ASP A 14 -11.463 3.387 78.815 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.011 4.536 76.671 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.231 3.353 79.369 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.060 4.088 78.293 1.00 0.00 H new ATOM 190 N GLY A 15 -9.455 1.353 77.398 1.00 0.00 N ATOM 191 CA GLY A 15 -8.910 0.094 76.898 1.00 0.00 C ATOM 192 C GLY A 15 -9.878 -0.556 75.923 1.00 0.00 C ATOM 193 O GLY A 15 -9.608 -0.653 74.727 1.00 0.00 O ATOM 0 H GLY A 15 -9.918 1.276 78.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.955 0.275 76.405 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.716 -0.581 77.731 1.00 0.00 H new ATOM 197 N GLN A 16 -11.014 -1.002 76.452 1.00 0.00 N ATOM 198 CA GLN A 16 -12.047 -1.649 75.650 1.00 0.00 C ATOM 199 C GLN A 16 -12.354 -0.825 74.410 1.00 0.00 C ATOM 200 O GLN A 16 -12.294 -1.319 73.286 1.00 0.00 O ATOM 201 CB GLN A 16 -13.336 -1.802 76.459 1.00 0.00 C ATOM 202 CG GLN A 16 -14.457 -2.508 75.714 1.00 0.00 C ATOM 203 CD GLN A 16 -14.121 -3.949 75.386 1.00 0.00 C ATOM 204 OE1 GLN A 16 -13.785 -4.735 76.271 1.00 0.00 O ATOM 205 NE2 GLN A 16 -14.212 -4.301 74.108 1.00 0.00 N ATOM 0 H GLN A 16 -11.243 -0.926 77.443 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.674 -2.631 75.359 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.116 -2.356 77.372 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.682 -0.814 76.762 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.364 -2.479 76.317 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.671 -1.969 74.791 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.495 -3.614 73.409 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.999 -5.258 73.826 1.00 0.00 H new ATOM 214 N GLY A 17 -12.684 0.445 74.632 1.00 0.00 N ATOM 215 CA GLY A 17 -13.007 1.367 73.547 1.00 0.00 C ATOM 216 C GLY A 17 -11.920 1.341 72.485 1.00 0.00 C ATOM 217 O GLY A 17 -12.199 1.252 71.291 1.00 0.00 O ATOM 0 H GLY A 17 -12.735 0.861 75.562 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.964 1.094 73.103 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.115 2.378 73.941 1.00 0.00 H new ATOM 221 N ASP A 18 -10.672 1.422 72.938 1.00 0.00 N ATOM 222 CA ASP A 18 -9.516 1.411 72.046 1.00 0.00 C ATOM 223 C ASP A 18 -9.535 0.171 71.167 1.00 0.00 C ATOM 224 O ASP A 18 -8.814 0.084 70.174 1.00 0.00 O ATOM 225 CB ASP A 18 -8.216 1.412 72.853 1.00 0.00 C ATOM 226 CG ASP A 18 -7.963 2.736 73.548 1.00 0.00 C ATOM 227 OD1 ASP A 18 -6.791 3.163 73.603 1.00 0.00 O ATOM 228 OD2 ASP A 18 -8.937 3.346 74.037 1.00 0.00 O ATOM 0 H ASP A 18 -10.434 1.497 73.927 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.566 2.306 71.426 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.254 0.616 73.597 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.381 1.188 72.190 1.00 0.00 H new ATOM 234 N MET A 19 -10.372 -0.790 71.546 1.00 0.00 N ATOM 235 CA MET A 19 -10.508 -2.043 70.809 1.00 0.00 C ATOM 236 C MET A 19 -11.066 -1.785 69.419 1.00 0.00 C ATOM 237 O MET A 19 -10.608 -2.360 68.433 1.00 0.00 O ATOM 238 CB MET A 19 -11.455 -2.995 71.541 1.00 0.00 C ATOM 239 CG MET A 19 -11.591 -4.360 70.887 1.00 0.00 C ATOM 240 SD MET A 19 -12.704 -5.456 71.788 1.00 0.00 S ATOM 241 CE MET A 19 -11.744 -5.773 73.266 1.00 0.00 C ATOM 0 H MET A 19 -10.972 -0.724 72.368 1.00 0.00 H new ATOM 0 HA MET A 19 -9.518 -2.492 70.733 1.00 0.00 H new ATOM 0 HB2 MET A 19 -11.101 -3.128 72.563 1.00 0.00 H new ATOM 0 HB3 MET A 19 -12.441 -2.534 71.602 1.00 0.00 H new ATOM 0 HG2 MET A 19 -11.957 -4.235 69.868 1.00 0.00 H new ATOM 0 HG3 MET A 19 -10.607 -4.825 70.818 1.00 0.00 H new ATOM 0 HE1 MET A 19 -12.242 -6.533 73.868 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.751 -6.125 72.986 1.00 0.00 H new ATOM 0 HE3 MET A 19 -11.653 -4.854 73.845 1.00 0.00 H new ATOM 251 N LYS A 20 -12.064 -0.909 69.354 1.00 0.00 N ATOM 252 CA LYS A 20 -12.708 -0.552 68.093 1.00 0.00 C ATOM 253 C LYS A 20 -11.686 -0.004 67.110 1.00 0.00 C ATOM 254 O LYS A 20 -11.710 -0.324 65.923 1.00 0.00 O ATOM 255 CB LYS A 20 -13.780 0.516 68.322 1.00 0.00 C ATOM 256 CG LYS A 20 -14.547 0.904 67.069 1.00 0.00 C ATOM 257 CD LYS A 20 -15.630 1.924 67.378 1.00 0.00 C ATOM 258 CE LYS A 20 -16.388 2.324 66.122 1.00 0.00 C ATOM 259 NZ LYS A 20 -17.461 3.314 66.413 1.00 0.00 N ATOM 0 H LYS A 20 -12.448 -0.429 70.168 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.166 -1.454 67.687 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.486 0.153 69.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.308 1.407 68.736 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.858 1.314 66.331 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.997 0.016 66.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.325 1.509 68.108 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.181 2.808 67.831 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.692 2.746 65.397 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.827 1.437 65.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.954 3.561 65.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.139 2.903 67.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.040 4.171 66.826 1.00 0.00 H new ATOM 273 N ALA A 21 -10.785 0.829 67.623 1.00 0.00 N ATOM 274 CA ALA A 21 -9.737 1.441 66.811 1.00 0.00 C ATOM 275 C ALA A 21 -8.738 0.392 66.353 1.00 0.00 C ATOM 276 O ALA A 21 -8.291 0.396 65.207 1.00 0.00 O ATOM 277 CB ALA A 21 -8.993 2.497 67.614 1.00 0.00 C ATOM 0 H ALA A 21 -10.760 1.098 68.607 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.212 1.901 65.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.215 2.944 66.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.692 3.270 67.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.538 2.035 68.490 1.00 0.00 H new ATOM 283 N ILE A 22 -8.391 -0.510 67.268 1.00 0.00 N ATOM 284 CA ILE A 22 -7.441 -1.582 66.985 1.00 0.00 C ATOM 285 C ILE A 22 -7.996 -2.518 65.923 1.00 0.00 C ATOM 286 O ILE A 22 -7.322 -2.843 64.947 1.00 0.00 O ATOM 287 CB ILE A 22 -7.142 -2.418 68.243 1.00 0.00 C ATOM 288 CG1 ILE A 22 -6.380 -1.579 69.272 1.00 0.00 C ATOM 289 CG2 ILE A 22 -6.295 -3.631 67.888 1.00 0.00 C ATOM 290 CD1 ILE A 22 -6.261 -2.238 70.629 1.00 0.00 C ATOM 0 H ILE A 22 -8.758 -0.519 68.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.524 -1.108 66.636 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.094 -2.743 68.662 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.380 -1.372 68.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.882 -0.618 69.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.093 -4.210 68.789 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.831 -4.252 67.170 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.353 -3.301 67.450 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.709 -1.584 71.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.257 -2.420 71.034 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.731 -3.185 70.528 1.00 0.00 H new ATOM 302 N GLY A 23 -9.237 -2.948 66.127 1.00 0.00 N ATOM 303 CA GLY A 23 -9.914 -3.850 65.199 1.00 0.00 C ATOM 304 C GLY A 23 -10.161 -3.158 63.868 1.00 0.00 C ATOM 305 O GLY A 23 -9.941 -3.732 62.802 1.00 0.00 O ATOM 0 H GLY A 23 -9.800 -2.683 66.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.309 -4.743 65.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.862 -4.177 65.627 1.00 0.00 H new ATOM 309 N GLY A 24 -10.623 -1.914 63.945 1.00 0.00 N ATOM 310 CA GLY A 24 -10.912 -1.115 62.758 1.00 0.00 C ATOM 311 C GLY A 24 -9.627 -0.775 62.019 1.00 0.00 C ATOM 312 O GLY A 24 -9.491 -1.040 60.826 1.00 0.00 O ATOM 0 H GLY A 24 -10.807 -1.433 64.826 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.584 -1.664 62.098 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.426 -0.198 63.046 1.00 0.00 H new ATOM 316 N TYR A 25 -8.684 -0.183 62.747 1.00 0.00 N ATOM 317 CA TYR A 25 -7.395 0.206 62.185 1.00 0.00 C ATOM 318 C TYR A 25 -6.704 -0.993 61.556 1.00 0.00 C ATOM 319 O TYR A 25 -6.087 -0.888 60.497 1.00 0.00 O ATOM 320 CB TYR A 25 -6.484 0.771 63.276 1.00 0.00 C ATOM 321 CG TYR A 25 -5.118 1.187 62.778 1.00 0.00 C ATOM 322 CD1 TYR A 25 -4.943 2.383 62.094 1.00 0.00 C ATOM 323 CD2 TYR A 25 -4.007 0.382 62.995 1.00 0.00 C ATOM 324 CE1 TYR A 25 -3.699 2.771 61.636 1.00 0.00 C ATOM 325 CE2 TYR A 25 -2.754 0.754 62.544 1.00 0.00 C ATOM 326 CZ TYR A 25 -2.608 1.960 61.859 1.00 0.00 C ATOM 327 OH TYR A 25 -1.367 2.344 61.404 1.00 0.00 O ATOM 0 H TYR A 25 -8.791 0.039 63.737 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.580 0.966 61.426 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.971 1.632 63.733 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.362 0.022 64.058 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.796 3.022 61.917 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.124 -0.551 63.526 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.582 3.705 61.106 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.899 0.118 62.720 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.705 1.662 61.644 1.00 0.00 H new ATOM 337 N ILE A 26 -6.817 -2.137 62.224 1.00 0.00 N ATOM 338 CA ILE A 26 -6.212 -3.379 61.752 1.00 0.00 C ATOM 339 C ILE A 26 -7.000 -3.944 60.582 1.00 0.00 C ATOM 340 O ILE A 26 -6.432 -4.365 59.576 1.00 0.00 O ATOM 341 CB ILE A 26 -6.179 -4.448 62.860 1.00 0.00 C ATOM 342 CG1 ILE A 26 -5.231 -4.022 63.983 1.00 0.00 C ATOM 343 CG2 ILE A 26 -5.699 -5.779 62.303 1.00 0.00 C ATOM 344 CD1 ILE A 26 -5.323 -4.888 65.221 1.00 0.00 C ATOM 0 H ILE A 26 -7.327 -2.230 63.102 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.194 -3.138 61.447 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.191 -4.556 63.250 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.207 -4.045 63.610 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.447 -2.989 64.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.682 -6.522 63.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.375 -6.108 61.514 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.695 -5.662 61.895 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.622 -4.524 65.972 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.336 -4.846 65.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.077 -5.918 64.964 1.00 0.00 H new ATOM 356 N VAL A 27 -8.322 -3.947 60.728 1.00 0.00 N ATOM 357 CA VAL A 27 -9.220 -4.457 59.695 1.00 0.00 C ATOM 358 C VAL A 27 -9.322 -3.469 58.544 1.00 0.00 C ATOM 359 O VAL A 27 -9.519 -3.853 57.392 1.00 0.00 O ATOM 360 CB VAL A 27 -10.639 -4.691 60.246 1.00 0.00 C ATOM 361 CG1 VAL A 27 -11.342 -3.364 60.487 1.00 0.00 C ATOM 362 CG2 VAL A 27 -11.466 -5.501 59.260 1.00 0.00 C ATOM 0 H VAL A 27 -8.799 -3.599 61.560 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.803 -5.403 59.351 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.545 -5.236 61.185 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.343 -3.548 60.876 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.774 -2.777 61.209 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.413 -2.814 59.549 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.466 -5.657 59.665 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.538 -4.961 58.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.988 -6.466 59.091 1.00 0.00 H new ATOM 372 N GLY A 28 -9.185 -2.188 58.872 1.00 0.00 N ATOM 373 CA GLY A 28 -9.258 -1.117 57.883 1.00 0.00 C ATOM 374 C GLY A 28 -7.984 -1.070 57.055 1.00 0.00 C ATOM 375 O GLY A 28 -7.975 -0.575 55.929 1.00 0.00 O ATOM 0 H GLY A 28 -9.021 -1.864 59.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.117 -1.274 57.231 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.409 -0.161 58.384 1.00 0.00 H new ATOM 379 N ALA A 29 -6.905 -1.592 57.631 1.00 0.00 N ATOM 380 CA ALA A 29 -5.605 -1.623 56.969 1.00 0.00 C ATOM 381 C ALA A 29 -5.497 -2.841 56.064 1.00 0.00 C ATOM 382 O ALA A 29 -4.853 -2.801 55.017 1.00 0.00 O ATOM 383 CB ALA A 29 -4.487 -1.687 57.998 1.00 0.00 C ATOM 0 H ALA A 29 -6.907 -2.003 58.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.511 -0.713 56.376 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.524 -1.710 57.488 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.536 -0.810 58.643 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.599 -2.588 58.602 1.00 0.00 H new ATOM 389 N LEU A 30 -6.139 -3.927 56.485 1.00 0.00 N ATOM 390 CA LEU A 30 -6.133 -5.177 55.730 1.00 0.00 C ATOM 391 C LEU A 30 -6.628 -4.945 54.312 1.00 0.00 C ATOM 392 O LEU A 30 -6.216 -5.626 53.375 1.00 0.00 O ATOM 393 CB LEU A 30 -7.043 -6.210 56.397 1.00 0.00 C ATOM 394 CG LEU A 30 -6.557 -6.782 57.730 1.00 0.00 C ATOM 395 CD1 LEU A 30 -7.611 -7.694 58.340 1.00 0.00 C ATOM 396 CD2 LEU A 30 -5.283 -7.590 57.536 1.00 0.00 C ATOM 0 H LEU A 30 -6.674 -3.966 57.352 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.108 -5.547 55.708 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.020 -5.753 56.557 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.188 -7.037 55.702 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.365 -5.940 58.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.245 -8.090 59.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.526 -7.128 58.513 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.818 -8.518 57.658 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.955 -7.988 58.496 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.476 -8.414 56.849 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.504 -6.948 57.124 1.00 0.00 H new ATOM 408 N VAL A 31 -7.521 -3.970 54.167 1.00 0.00 N ATOM 409 CA VAL A 31 -8.094 -3.622 52.869 1.00 0.00 C ATOM 410 C VAL A 31 -6.993 -3.317 51.867 1.00 0.00 C ATOM 411 O VAL A 31 -7.111 -3.620 50.681 1.00 0.00 O ATOM 412 CB VAL A 31 -9.002 -2.382 52.967 1.00 0.00 C ATOM 413 CG1 VAL A 31 -9.402 -1.903 51.580 1.00 0.00 C ATOM 414 CG2 VAL A 31 -10.267 -2.709 53.746 1.00 0.00 C ATOM 0 H VAL A 31 -7.867 -3.402 54.940 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.683 -4.479 52.542 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.442 -1.600 53.481 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.043 -1.026 51.669 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.508 -1.643 51.013 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.942 -2.696 51.063 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.897 -1.822 53.806 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.810 -3.507 53.239 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.001 -3.033 54.752 1.00 0.00 H new ATOM 424 N ILE A 32 -5.917 -2.711 52.361 1.00 0.00 N ATOM 425 CA ILE A 32 -4.773 -2.349 51.528 1.00 0.00 C ATOM 426 C ILE A 32 -4.092 -3.597 50.990 1.00 0.00 C ATOM 427 O ILE A 32 -3.708 -3.660 49.823 1.00 0.00 O ATOM 428 CB ILE A 32 -3.728 -1.544 52.323 1.00 0.00 C ATOM 429 CG1 ILE A 32 -4.294 -0.179 52.718 1.00 0.00 C ATOM 430 CG2 ILE A 32 -2.477 -1.323 51.487 1.00 0.00 C ATOM 431 CD1 ILE A 32 -3.433 0.577 53.706 1.00 0.00 C ATOM 0 H ILE A 32 -5.813 -2.458 53.344 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.156 -1.739 50.710 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.478 -2.114 53.217 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.417 0.426 51.820 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.286 -0.318 53.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.750 -0.753 52.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.048 -2.287 51.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.736 -0.771 50.583 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.900 1.534 53.937 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.330 -0.007 54.621 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.448 0.749 53.273 1.00 0.00 H new ATOM 443 N LEU A 33 -3.947 -4.593 51.860 1.00 0.00 N ATOM 444 CA LEU A 33 -3.312 -5.857 51.499 1.00 0.00 C ATOM 445 C LEU A 33 -4.105 -6.558 50.408 1.00 0.00 C ATOM 446 O LEU A 33 -3.549 -7.010 49.408 1.00 0.00 O ATOM 447 CB LEU A 33 -3.236 -6.784 52.714 1.00 0.00 C ATOM 448 CG LEU A 33 -2.232 -6.396 53.801 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.350 -7.326 54.999 1.00 0.00 C ATOM 450 CD2 LEU A 33 -0.808 -6.481 53.273 1.00 0.00 C ATOM 0 H LEU A 33 -4.264 -4.548 52.828 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.307 -5.634 51.140 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.226 -6.837 53.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.991 -7.787 52.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.457 -5.373 54.101 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.627 -7.032 55.760 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.357 -7.262 55.411 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.150 -8.351 54.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.110 -6.201 54.062 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.600 -7.501 52.950 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.692 -5.802 52.428 1.00 0.00 H new ATOM 462 N ALA A 34 -5.416 -6.641 50.614 1.00 0.00 N ATOM 463 CA ALA A 34 -6.316 -7.285 49.660 1.00 0.00 C ATOM 464 C ALA A 34 -6.232 -6.601 48.305 1.00 0.00 C ATOM 465 O ALA A 34 -6.228 -7.254 47.262 1.00 0.00 O ATOM 466 CB ALA A 34 -7.753 -7.207 50.151 1.00 0.00 C ATOM 0 H ALA A 34 -5.883 -6.267 51.440 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.013 -8.328 49.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.411 -7.691 49.429 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.836 -7.712 51.114 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.043 -6.162 50.263 1.00 0.00 H new ATOM 472 N VAL A 35 -6.166 -5.273 48.334 1.00 0.00 N ATOM 473 CA VAL A 35 -6.081 -4.470 47.118 1.00 0.00 C ATOM 474 C VAL A 35 -4.891 -4.901 46.277 1.00 0.00 C ATOM 475 O VAL A 35 -4.988 -5.033 45.058 1.00 0.00 O ATOM 476 CB VAL A 35 -5.915 -2.973 47.440 1.00 0.00 C ATOM 477 CG1 VAL A 35 -5.620 -2.185 46.174 1.00 0.00 C ATOM 478 CG2 VAL A 35 -7.186 -2.419 48.066 1.00 0.00 C ATOM 0 H VAL A 35 -6.170 -4.726 49.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.012 -4.624 46.572 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.084 -2.874 48.139 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.506 -1.129 46.421 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.699 -2.554 45.722 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.443 -2.306 45.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.051 -1.360 48.287 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.017 -2.542 47.371 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.402 -2.958 48.989 1.00 0.00 H new ATOM 488 N ALA A 36 -3.764 -5.119 46.947 1.00 0.00 N ATOM 489 CA ALA A 36 -2.532 -5.538 46.285 1.00 0.00 C ATOM 490 C ALA A 36 -2.700 -6.918 45.671 1.00 0.00 C ATOM 491 O ALA A 36 -2.325 -7.154 44.523 1.00 0.00 O ATOM 492 CB ALA A 36 -1.385 -5.591 47.283 1.00 0.00 C ATOM 0 H ALA A 36 -3.678 -5.011 47.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.310 -4.811 45.503 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.474 -5.905 46.774 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.235 -4.603 47.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.623 -6.303 48.073 1.00 0.00 H new ATOM 498 N GLY A 37 -3.271 -7.830 46.453 1.00 0.00 N ATOM 499 CA GLY A 37 -3.504 -9.202 46.012 1.00 0.00 C ATOM 500 C GLY A 37 -4.186 -9.215 44.653 1.00 0.00 C ATOM 501 O GLY A 37 -3.658 -9.753 43.681 1.00 0.00 O ATOM 0 H GLY A 37 -3.584 -7.640 47.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.557 -9.738 45.955 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.123 -9.725 46.741 1.00 0.00 H new ATOM 505 N LEU A 38 -5.370 -8.613 44.599 1.00 0.00 N ATOM 506 CA LEU A 38 -6.153 -8.539 43.368 1.00 0.00 C ATOM 507 C LEU A 38 -5.378 -7.801 42.289 1.00 0.00 C ATOM 508 O LEU A 38 -5.407 -8.175 41.118 1.00 0.00 O ATOM 509 CB LEU A 38 -7.468 -7.796 43.613 1.00 0.00 C ATOM 510 CG LEU A 38 -8.514 -8.530 44.454 1.00 0.00 C ATOM 511 CD1 LEU A 38 -9.712 -7.633 44.725 1.00 0.00 C ATOM 512 CD2 LEU A 38 -9.007 -9.775 43.733 1.00 0.00 C ATOM 0 H LEU A 38 -5.813 -8.165 45.401 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.360 -9.559 43.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.240 -6.848 44.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.912 -7.558 42.646 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.038 -8.809 45.394 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.444 -8.175 45.324 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.386 -6.744 45.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.166 -7.336 43.779 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.750 -10.282 44.349 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.457 -9.490 42.782 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.168 -10.446 43.551 1.00 0.00 H new ATOM 524 N ILE A 39 -4.683 -6.745 42.700 1.00 0.00 N ATOM 525 CA ILE A 39 -3.886 -5.932 41.787 1.00 0.00 C ATOM 526 C ILE A 39 -2.837 -6.783 41.092 1.00 0.00 C ATOM 527 O ILE A 39 -2.629 -6.676 39.884 1.00 0.00 O ATOM 528 CB ILE A 39 -3.157 -4.798 42.531 1.00 0.00 C ATOM 529 CG1 ILE A 39 -4.164 -3.778 43.067 1.00 0.00 C ATOM 530 CG2 ILE A 39 -2.195 -4.080 41.597 1.00 0.00 C ATOM 531 CD1 ILE A 39 -4.991 -3.113 41.989 1.00 0.00 C ATOM 0 H ILE A 39 -4.656 -6.430 43.670 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.577 -5.506 41.059 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.604 -5.243 43.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.832 -4.276 43.770 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.628 -3.011 43.626 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.689 -3.282 42.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.457 -4.788 41.221 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.749 -3.655 40.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.681 -2.404 42.446 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.333 -2.586 41.299 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.556 -3.870 41.445 1.00 0.00 H new ATOM 543 N TYR A 40 -2.177 -7.632 41.874 1.00 0.00 N ATOM 544 CA TYR A 40 -1.137 -8.520 41.359 1.00 0.00 C ATOM 545 C TYR A 40 -1.743 -9.583 40.458 1.00 0.00 C ATOM 546 O TYR A 40 -1.198 -9.911 39.406 1.00 0.00 O ATOM 547 CB TYR A 40 -0.411 -9.219 42.510 1.00 0.00 C ATOM 548 CG TYR A 40 0.703 -10.139 42.063 1.00 0.00 C ATOM 549 CD1 TYR A 40 1.934 -9.629 41.673 1.00 0.00 C ATOM 550 CD2 TYR A 40 0.518 -11.516 42.033 1.00 0.00 C ATOM 551 CE1 TYR A 40 2.957 -10.462 41.263 1.00 0.00 C ATOM 552 CE2 TYR A 40 1.530 -12.365 41.626 1.00 0.00 C ATOM 553 CZ TYR A 40 2.756 -11.826 41.240 1.00 0.00 C ATOM 554 OH TYR A 40 3.773 -12.658 40.832 1.00 0.00 O ATOM 0 H TYR A 40 -2.345 -7.725 42.876 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.432 -7.912 40.792 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.001 -8.463 43.179 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.135 -9.795 43.087 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.095 -8.561 41.690 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.433 -11.930 42.333 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.908 -10.048 40.962 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.373 -13.433 41.607 1.00 0.00 H new ATOM 0 HH TYR A 40 3.471 -13.589 40.875 1.00 0.00 H new ATOM 564 N SER A 41 -2.884 -10.118 40.886 1.00 0.00 N ATOM 565 CA SER A 41 -3.591 -11.150 40.135 1.00 0.00 C ATOM 566 C SER A 41 -3.977 -10.637 38.757 1.00 0.00 C ATOM 567 O SER A 41 -3.722 -11.285 37.743 1.00 0.00 O ATOM 568 CB SER A 41 -4.866 -11.568 40.869 1.00 0.00 C ATOM 569 OG SER A 41 -4.562 -12.206 42.098 1.00 0.00 O ATOM 0 H SER A 41 -3.341 -9.850 41.757 1.00 0.00 H new ATOM 0 HA SER A 41 -2.922 -12.005 40.037 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.486 -10.691 41.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.447 -12.242 40.240 1.00 0.00 H new ATOM 0 HG SER A 41 -4.244 -11.540 42.743 1.00 0.00 H new ATOM 575 N MET A 42 -4.596 -9.460 38.735 1.00 0.00 N ATOM 576 CA MET A 42 -5.030 -8.831 37.491 1.00 0.00 C ATOM 577 C MET A 42 -3.833 -8.493 36.618 1.00 0.00 C ATOM 578 O MET A 42 -3.860 -8.678 35.402 1.00 0.00 O ATOM 579 CB MET A 42 -5.795 -7.539 37.783 1.00 0.00 C ATOM 580 CG MET A 42 -6.359 -6.858 36.546 1.00 0.00 C ATOM 581 SD MET A 42 -7.279 -5.358 36.935 1.00 0.00 S ATOM 582 CE MET A 42 -5.950 -4.265 37.432 1.00 0.00 C ATOM 0 H MET A 42 -4.810 -8.918 39.573 1.00 0.00 H new ATOM 0 HA MET A 42 -5.678 -9.536 36.972 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.614 -7.761 38.467 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.130 -6.844 38.296 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.542 -6.612 35.867 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.012 -7.554 36.020 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.316 -3.239 37.464 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.592 -4.553 38.420 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.132 -4.337 36.715 1.00 0.00 H new ATOM 592 N LEU A 43 -2.779 -7.993 37.257 1.00 0.00 N ATOM 593 CA LEU A 43 -1.551 -7.619 36.563 1.00 0.00 C ATOM 594 C LEU A 43 -0.761 -8.857 36.172 1.00 0.00 C ATOM 595 O LEU A 43 -0.195 -8.932 35.083 1.00 0.00 O ATOM 596 CB LEU A 43 -0.671 -6.749 37.462 1.00 0.00 C ATOM 597 CG LEU A 43 -1.176 -5.331 37.739 1.00 0.00 C ATOM 598 CD1 LEU A 43 -0.277 -4.626 38.742 1.00 0.00 C ATOM 599 CD2 LEU A 43 -1.198 -4.509 36.459 1.00 0.00 C ATOM 0 H LEU A 43 -2.752 -7.836 38.265 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.832 -7.062 35.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.546 -7.260 38.417 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.317 -6.677 37.007 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.185 -5.417 38.142 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.654 -3.620 38.924 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.267 -5.185 39.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.736 -4.567 38.344 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.560 -3.504 36.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.191 -4.450 36.047 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.859 -4.983 35.734 1.00 0.00 H new ATOM 611 N ARG A 44 -0.731 -9.829 37.078 1.00 0.00 N ATOM 612 CA ARG A 44 -0.016 -11.082 36.855 1.00 0.00 C ATOM 613 C ARG A 44 -0.864 -12.041 36.034 1.00 0.00 C ATOM 614 O ARG A 44 -0.348 -12.824 35.238 1.00 0.00 O ATOM 615 CB ARG A 44 0.318 -11.753 38.189 1.00 0.00 C ATOM 616 CG ARG A 44 1.145 -13.022 38.056 1.00 0.00 C ATOM 617 CD ARG A 44 2.539 -12.720 37.530 1.00 0.00 C ATOM 618 NE ARG A 44 3.352 -13.928 37.412 1.00 0.00 N ATOM 619 CZ ARG A 44 4.544 -13.971 36.826 1.00 0.00 C ATOM 620 NH1 ARG A 44 5.066 -12.870 36.303 1.00 0.00 N ATOM 621 NH2 ARG A 44 5.212 -15.115 36.765 1.00 0.00 N ATOM 0 H ARG A 44 -1.199 -9.772 37.983 1.00 0.00 H new ATOM 0 HA ARG A 44 0.903 -10.848 36.318 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.859 -11.043 38.815 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.611 -11.990 38.707 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.219 -13.514 39.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.643 -13.717 37.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.462 -12.238 36.555 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.033 -12.014 38.197 1.00 0.00 H new ATOM 0 HE ARG A 44 2.981 -14.793 37.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.553 -11.990 36.350 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.981 -12.903 35.853 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.811 -15.962 37.168 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.127 -15.148 36.315 1.00 0.00 H new ATOM 635 N LYS A 45 -2.176 -11.967 36.240 1.00 0.00 N ATOM 636 CA LYS A 45 -3.125 -12.819 35.530 1.00 0.00 C ATOM 637 C LYS A 45 -3.268 -12.369 34.086 1.00 0.00 C ATOM 638 O LYS A 45 -3.238 -13.179 33.161 1.00 0.00 O ATOM 639 CB LYS A 45 -4.502 -12.757 36.194 1.00 0.00 C ATOM 640 CG LYS A 45 -5.543 -13.657 35.550 1.00 0.00 C ATOM 641 CD LYS A 45 -6.868 -13.589 36.292 1.00 0.00 C ATOM 642 CE LYS A 45 -7.913 -14.478 35.639 1.00 0.00 C ATOM 643 NZ LYS A 45 -9.214 -14.430 36.363 1.00 0.00 N ATOM 0 H LYS A 45 -2.609 -11.320 36.899 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.744 -13.840 35.563 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.400 -13.031 37.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.860 -11.728 36.167 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.690 -13.361 34.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.182 -14.685 35.540 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.723 -13.895 37.328 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.224 -12.559 36.311 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.061 -14.165 34.605 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.550 -15.505 35.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.900 -15.050 35.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.078 -14.753 37.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.573 -13.454 36.367 1.00 0.00 H new ATOM 657 N ALA A 46 -3.426 -11.060 33.905 1.00 0.00 N ATOM 658 CA ALA A 46 -3.578 -10.469 32.579 1.00 0.00 C ATOM 659 C ALA A 46 -3.737 -8.960 32.702 1.00 0.00 C ATOM 660 O ALA A 46 -3.724 -8.419 33.806 1.00 0.00 O ATOM 661 CB ALA A 46 -4.789 -11.085 31.884 1.00 0.00 C ATOM 0 H ALA A 46 -3.452 -10.384 34.668 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.690 -10.673 31.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.903 -10.644 30.894 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.645 -12.161 31.788 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.685 -10.890 32.473 1.00 0.00 H new TER 667 ALA A 46