USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 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 0 HIS : no HD1:sc= -6.31! C(o=-5.5!,f=-16!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.11) USER MOD Set 1.3: A 39 HIS : no HD1:sc= 0.158 K(o=-5.5,f=-13!) USER MOD Set 1.4: A 52 GLN : amide:sc= -0.207 K(o=-5.5,f=-13!) USER MOD Set 1.5: A 56 ASN : amide:sc= -0.37 K(o=-5.5,f=-12!) USER MOD Set 2.1: A 5 SER OG : rot -81:sc= -3.6! USER MOD Set 2.2: A 7 LYS NZ :NH3+ 179:sc= 0.231 (180deg=-0.0272) USER MOD Set 2.3: A 29 GLN : amide:sc= 0.236 K(o=-4.3,f=-6.8) USER MOD Set 2.4: A 31 LYS NZ :NH3+ -160:sc= -1.95! (180deg=-2.49!) USER MOD Set 2.5: A 62 SER OG : rot -0:sc= 0.826 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0163) USER MOD Single : A 9 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.7) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A -9 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.019) USER MOD Single : A -9 HIS N :NH3+ -165:sc= 0.739 (180deg=0.559) USER MOD Single : A 13 GLN : amide:sc= -3.66! C(o=-3.7!,f=-3.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-2.9) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0135) USER MOD Single : A 48 TYR OH : rot -55:sc= 0.00376 USER MOD Single : A 50 THR OG1 : rot -49:sc= 0.00611 USER MOD Single : A 55 ASN :FLIP amide:sc= -4.69! C(o=-5.9!,f=-4.7!) USER MOD Single : A 63 SER OG : rot 87:sc= 1.25 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.172 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 72 GLN : amide:sc= 1.24 K(o=1.2,f=-0.098) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0.874 (180deg=0.828) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 12.788 25.217 0.562 1.00 10.50 N ATOM 2 CA HIS A -9 13.616 25.281 1.789 1.00 10.47 C ATOM 3 C HIS A -9 12.695 25.276 2.992 1.00 9.92 C ATOM 4 O HIS A -9 11.794 26.111 3.078 1.00 9.95 O ATOM 5 CB HIS A -9 14.486 26.544 1.800 1.00 10.88 C ATOM 6 CG HIS A -9 15.399 26.665 0.619 1.00 11.33 C ATOM 7 ND1 HIS A -9 15.270 27.652 -0.336 1.00 11.58 N ATOM 8 CD2 HIS A -9 16.467 25.921 0.243 1.00 11.79 C ATOM 9 CE1 HIS A -9 16.216 27.510 -1.246 1.00 12.14 C ATOM 10 NE2 HIS A -9 16.953 26.468 -0.918 1.00 12.26 N ATOM 0 H1 HIS A -9 13.388 24.965 -0.249 1.00 10.50 H new ATOM 0 H2 HIS A -9 12.047 24.497 0.681 1.00 10.50 H new ATOM 0 H3 HIS A -9 12.347 26.143 0.392 1.00 10.50 H new ATOM 0 HA HIS A -9 14.282 24.418 1.819 1.00 10.47 H new ATOM 0 HB2 HIS A -9 13.837 27.419 1.836 1.00 10.88 H new ATOM 0 HB3 HIS A -9 15.084 26.553 2.711 1.00 10.88 H new ATOM 0 HD2 HIS A -9 16.862 25.059 0.760 1.00 11.79 H new ATOM 0 HE1 HIS A -9 16.361 28.140 -2.111 1.00 12.14 H new ATOM 0 HE2 HIS A -9 17.756 26.123 -1.443 1.00 12.26 H new ATOM 19 N SER A -8 12.926 24.346 3.918 1.00 9.64 N ATOM 20 CA SER A -8 11.948 24.041 4.953 1.00 9.30 C ATOM 21 C SER A -8 10.661 23.627 4.257 1.00 8.71 C ATOM 22 O SER A -8 9.767 24.450 4.044 1.00 8.43 O ATOM 23 CB SER A -8 11.710 25.238 5.887 1.00 9.57 C ATOM 24 OG SER A -8 10.854 24.893 6.964 1.00 9.77 O ATOM 0 H SER A -8 13.782 23.793 3.970 1.00 9.64 H new ATOM 0 HA SER A -8 12.319 23.234 5.585 1.00 9.30 H new ATOM 0 HB2 SER A -8 12.664 25.592 6.278 1.00 9.57 H new ATOM 0 HB3 SER A -8 11.272 26.061 5.322 1.00 9.57 H new ATOM 0 HG SER A -8 10.723 25.674 7.541 1.00 9.77 H new ATOM 30 N SER A -7 10.608 22.355 3.870 1.00 8.68 N ATOM 31 CA SER A -7 9.603 21.852 2.939 1.00 8.25 C ATOM 32 C SER A -7 9.915 22.380 1.533 1.00 7.71 C ATOM 33 O SER A -7 10.917 23.079 1.338 1.00 7.67 O ATOM 34 CB SER A -7 8.183 22.216 3.390 1.00 9.17 C ATOM 35 OG SER A -7 7.928 21.707 4.693 1.00 9.57 O ATOM 0 H SER A -7 11.262 21.643 4.194 1.00 8.68 H new ATOM 0 HA SER A -7 9.643 20.763 2.921 1.00 8.25 H new ATOM 0 HB2 SER A -7 8.060 23.299 3.386 1.00 9.17 H new ATOM 0 HB3 SER A -7 7.456 21.810 2.686 1.00 9.17 H new ATOM 0 HG SER A -7 7.019 21.949 4.967 1.00 9.57 H new ATOM 41 N GLY A -6 9.091 22.033 0.556 1.00 7.61 N ATOM 42 CA GLY A -6 9.413 22.352 -0.822 1.00 7.37 C ATOM 43 C GLY A -6 10.378 21.336 -1.392 1.00 6.38 C ATOM 44 O GLY A -6 10.997 21.544 -2.440 1.00 6.33 O ATOM 0 H GLY A -6 8.209 21.539 0.690 1.00 7.61 H new ATOM 0 HA2 GLY A -6 8.501 22.371 -1.419 1.00 7.37 H new ATOM 0 HA3 GLY A -6 9.851 23.349 -0.878 1.00 7.37 H new ATOM 48 N HIS A -5 10.508 20.239 -0.669 1.00 5.88 N ATOM 49 CA HIS A -5 11.383 19.146 -1.044 1.00 5.12 C ATOM 50 C HIS A -5 10.539 17.938 -1.416 1.00 4.42 C ATOM 51 O HIS A -5 9.613 17.580 -0.689 1.00 4.55 O ATOM 52 CB HIS A -5 12.315 18.813 0.129 1.00 5.41 C ATOM 53 CG HIS A -5 13.261 17.681 -0.121 1.00 5.17 C ATOM 54 ND1 HIS A -5 14.531 17.855 -0.626 1.00 5.51 N ATOM 55 CD2 HIS A -5 13.122 16.355 0.091 1.00 5.06 C ATOM 56 CE1 HIS A -5 15.130 16.683 -0.715 1.00 5.66 C ATOM 57 NE2 HIS A -5 14.294 15.757 -0.285 1.00 5.36 N ATOM 0 H HIS A -5 10.004 20.081 0.203 1.00 5.88 H new ATOM 0 HA HIS A -5 11.992 19.430 -1.902 1.00 5.12 H new ATOM 0 HB2 HIS A -5 12.893 19.703 0.379 1.00 5.41 H new ATOM 0 HB3 HIS A -5 11.707 18.573 1.001 1.00 5.41 H new ATOM 0 HD2 HIS A -5 12.248 15.858 0.485 1.00 5.06 H new ATOM 0 HE1 HIS A -5 16.133 16.511 -1.078 1.00 5.66 H new ATOM 0 HE2 HIS A -5 14.490 14.757 -0.240 1.00 5.36 H new ATOM 66 N ILE A -4 10.853 17.306 -2.535 1.00 4.01 N ATOM 67 CA ILE A -4 10.095 16.147 -2.970 1.00 3.41 C ATOM 68 C ILE A -4 10.494 14.916 -2.156 1.00 2.79 C ATOM 69 O ILE A -4 11.636 14.462 -2.194 1.00 3.10 O ATOM 70 CB ILE A -4 10.258 15.885 -4.484 1.00 3.87 C ATOM 71 CG1 ILE A -4 9.419 14.675 -4.904 1.00 3.82 C ATOM 72 CG2 ILE A -4 11.721 15.689 -4.864 1.00 4.31 C ATOM 73 CD1 ILE A -4 9.272 14.539 -6.396 1.00 4.25 C ATOM 0 H ILE A -4 11.620 17.573 -3.152 1.00 4.01 H new ATOM 0 HA ILE A -4 9.040 16.356 -2.795 1.00 3.41 H new ATOM 0 HB ILE A -4 9.899 16.764 -5.019 1.00 3.87 H new ATOM 0 HG12 ILE A -4 9.877 13.769 -4.507 1.00 3.82 H new ATOM 0 HG13 ILE A -4 8.429 14.755 -4.454 1.00 3.82 H new ATOM 0 HG21 ILE A -4 11.797 15.507 -5.936 1.00 4.31 H new ATOM 0 HG22 ILE A -4 12.287 16.584 -4.607 1.00 4.31 H new ATOM 0 HG23 ILE A -4 12.127 14.835 -4.321 1.00 4.31 H new ATOM 0 HD11 ILE A -4 8.667 13.662 -6.623 1.00 4.25 H new ATOM 0 HD12 ILE A -4 8.786 15.429 -6.796 1.00 4.25 H new ATOM 0 HD13 ILE A -4 10.257 14.428 -6.850 1.00 4.25 H new ATOM 85 N GLU A -3 9.552 14.414 -1.377 1.00 2.65 N ATOM 86 CA GLU A -3 9.793 13.250 -0.540 1.00 2.74 C ATOM 87 C GLU A -3 9.335 11.989 -1.228 1.00 2.04 C ATOM 88 O GLU A -3 9.165 10.938 -0.606 1.00 2.60 O ATOM 89 CB GLU A -3 9.117 13.428 0.813 1.00 3.81 C ATOM 90 CG GLU A -3 7.631 13.722 0.726 1.00 4.47 C ATOM 91 CD GLU A -3 7.024 14.041 2.074 1.00 5.44 C ATOM 92 OE1 GLU A -3 6.608 13.102 2.783 1.00 5.87 O ATOM 93 OE2 GLU A -3 6.950 15.240 2.422 1.00 6.04 O ATOM 0 H GLU A -3 8.609 14.796 -1.306 1.00 2.65 H new ATOM 0 HA GLU A -3 10.866 13.155 -0.371 1.00 2.74 H new ATOM 0 HB2 GLU A -3 9.264 12.523 1.403 1.00 3.81 H new ATOM 0 HB3 GLU A -3 9.607 14.241 1.348 1.00 3.81 H new ATOM 0 HG2 GLU A -3 7.469 14.562 0.050 1.00 4.47 H new ATOM 0 HG3 GLU A -3 7.118 12.862 0.295 1.00 4.47 H new ATOM 100 N GLY A -2 9.169 12.105 -2.521 1.00 1.45 N ATOM 101 CA GLY A -2 8.948 10.953 -3.339 1.00 1.14 C ATOM 102 C GLY A -2 7.525 10.481 -3.316 1.00 1.05 C ATOM 103 O GLY A -2 6.614 11.201 -2.918 1.00 1.37 O ATOM 0 H GLY A -2 9.184 12.991 -3.026 1.00 1.45 H new ATOM 0 HA2 GLY A -2 9.232 11.184 -4.366 1.00 1.14 H new ATOM 0 HA3 GLY A -2 9.598 10.145 -3.003 1.00 1.14 H new ATOM 107 N ARG A -1 7.349 9.273 -3.781 1.00 0.82 N ATOM 108 CA ARG A -1 6.061 8.604 -3.754 1.00 0.69 C ATOM 109 C ARG A -1 6.247 7.181 -3.260 1.00 0.61 C ATOM 110 O ARG A -1 7.376 6.700 -3.152 1.00 0.73 O ATOM 111 CB ARG A -1 5.374 8.613 -5.123 1.00 0.76 C ATOM 112 CG ARG A -1 6.000 7.685 -6.148 1.00 0.86 C ATOM 113 CD ARG A -1 5.184 7.662 -7.430 1.00 1.44 C ATOM 114 NE ARG A -1 4.973 9.007 -7.966 1.00 1.94 N ATOM 115 CZ ARG A -1 3.800 9.450 -8.421 1.00 2.72 C ATOM 116 NH1 ARG A -1 2.727 8.669 -8.388 1.00 3.04 N ATOM 117 NH2 ARG A -1 3.698 10.687 -8.901 1.00 3.51 N ATOM 0 H ARG A -1 8.097 8.715 -4.194 1.00 0.82 H new ATOM 0 HA ARG A -1 5.409 9.151 -3.073 1.00 0.69 H new ATOM 0 HB2 ARG A -1 4.328 8.336 -4.992 1.00 0.76 H new ATOM 0 HB3 ARG A -1 5.388 9.630 -5.516 1.00 0.76 H new ATOM 0 HG2 ARG A -1 7.017 8.011 -6.366 1.00 0.86 H new ATOM 0 HG3 ARG A -1 6.069 6.677 -5.738 1.00 0.86 H new ATOM 0 HD2 ARG A -1 5.694 7.050 -8.174 1.00 1.44 H new ATOM 0 HD3 ARG A -1 4.219 7.192 -7.238 1.00 1.44 H new ATOM 0 HE ARG A -1 5.770 9.643 -7.993 1.00 1.94 H new ATOM 0 HH11 ARG A -1 2.796 7.723 -8.013 1.00 3.04 H new ATOM 0 HH12 ARG A -1 1.833 9.015 -8.738 1.00 3.04 H new ATOM 0 HH21 ARG A -1 4.516 11.295 -8.921 1.00 3.51 H new ATOM 0 HH22 ARG A -1 2.801 11.027 -9.249 1.00 3.51 H new ATOM 131 N HIS A 0 5.155 6.515 -2.941 1.00 0.50 N ATOM 132 CA HIS A 0 5.227 5.149 -2.452 1.00 0.53 C ATOM 133 C HIS A 0 4.064 4.324 -2.971 1.00 0.44 C ATOM 134 O HIS A 0 2.925 4.795 -3.020 1.00 0.41 O ATOM 135 CB HIS A 0 5.265 5.116 -0.915 1.00 0.61 C ATOM 136 CG HIS A 0 4.175 5.900 -0.247 1.00 0.57 C ATOM 137 ND1 HIS A 0 4.419 6.808 0.758 1.00 0.79 N ATOM 138 CD2 HIS A 0 2.837 5.905 -0.436 1.00 0.51 C ATOM 139 CE1 HIS A 0 3.273 7.335 1.156 1.00 0.85 C ATOM 140 NE2 HIS A 0 2.303 6.801 0.446 1.00 0.66 N ATOM 0 H HIS A 0 4.210 6.894 -3.010 1.00 0.50 H new ATOM 0 HA HIS A 0 6.152 4.711 -2.827 1.00 0.53 H new ATOM 0 HB2 HIS A 0 5.203 4.079 -0.585 1.00 0.61 H new ATOM 0 HB3 HIS A 0 6.229 5.500 -0.580 1.00 0.61 H new ATOM 0 HD2 HIS A 0 2.290 5.310 -1.153 1.00 0.51 H new ATOM 0 HE1 HIS A 0 3.154 8.077 1.932 1.00 0.85 H new ATOM 0 HE2 HIS A 0 1.311 7.021 0.539 1.00 0.66 H new ATOM 149 N MET A 1 4.362 3.107 -3.371 1.00 0.50 N ATOM 150 CA MET A 1 3.337 2.149 -3.723 1.00 0.47 C ATOM 151 C MET A 1 3.390 1.001 -2.734 1.00 0.43 C ATOM 152 O MET A 1 4.352 0.235 -2.708 1.00 0.51 O ATOM 153 CB MET A 1 3.521 1.631 -5.151 1.00 0.56 C ATOM 154 CG MET A 1 2.545 0.523 -5.522 1.00 0.56 C ATOM 155 SD MET A 1 2.835 -0.127 -7.180 1.00 0.67 S ATOM 156 CE MET A 1 1.587 -1.406 -7.272 1.00 1.75 C ATOM 0 H MET A 1 5.315 2.755 -3.461 1.00 0.50 H new ATOM 0 HA MET A 1 2.363 2.637 -3.681 1.00 0.47 H new ATOM 0 HB2 MET A 1 3.401 2.460 -5.849 1.00 0.56 H new ATOM 0 HB3 MET A 1 4.540 1.262 -5.267 1.00 0.56 H new ATOM 0 HG2 MET A 1 2.628 -0.287 -4.798 1.00 0.56 H new ATOM 0 HG3 MET A 1 1.526 0.904 -5.458 1.00 0.56 H new ATOM 0 HE1 MET A 1 1.677 -1.934 -8.221 1.00 1.75 H new ATOM 0 HE2 MET A 1 1.725 -2.109 -6.451 1.00 1.75 H new ATOM 0 HE3 MET A 1 0.597 -0.955 -7.200 1.00 1.75 H new ATOM 166 N LEU A 2 2.372 0.906 -1.898 1.00 0.34 N ATOM 167 CA LEU A 2 2.332 -0.129 -0.886 1.00 0.32 C ATOM 168 C LEU A 2 1.399 -1.230 -1.349 1.00 0.30 C ATOM 169 O LEU A 2 0.250 -0.975 -1.710 1.00 0.33 O ATOM 170 CB LEU A 2 1.891 0.441 0.472 1.00 0.33 C ATOM 171 CG LEU A 2 2.151 -0.462 1.700 1.00 0.38 C ATOM 172 CD1 LEU A 2 1.074 -1.527 1.851 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.520 -1.121 1.603 1.00 0.50 C ATOM 0 H LEU A 2 1.566 1.531 -1.901 1.00 0.34 H new ATOM 0 HA LEU A 2 3.332 -0.540 -0.748 1.00 0.32 H new ATOM 0 HB2 LEU A 2 2.402 1.391 0.629 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.824 0.658 0.424 1.00 0.33 H new ATOM 0 HG LEU A 2 2.124 0.176 2.583 1.00 0.38 H new ATOM 0 HD11 LEU A 2 1.291 -2.142 2.724 1.00 0.36 H new ATOM 0 HD12 LEU A 2 0.103 -1.048 1.976 1.00 0.36 H new ATOM 0 HD13 LEU A 2 1.056 -2.155 0.960 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.683 -1.752 2.477 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.567 -1.731 0.701 1.00 0.50 H new ATOM 0 HD23 LEU A 2 4.292 -0.352 1.562 1.00 0.50 H new ATOM 185 N VAL A 3 1.917 -2.442 -1.356 1.00 0.42 N ATOM 186 CA VAL A 3 1.215 -3.585 -1.881 1.00 0.40 C ATOM 187 C VAL A 3 0.241 -4.188 -0.872 1.00 0.40 C ATOM 188 O VAL A 3 0.596 -4.474 0.271 1.00 0.52 O ATOM 189 CB VAL A 3 2.226 -4.648 -2.330 1.00 0.54 C ATOM 190 CG1 VAL A 3 2.825 -4.275 -3.678 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.326 -4.819 -1.290 1.00 1.53 C ATOM 0 H VAL A 3 2.845 -2.658 -0.993 1.00 0.42 H new ATOM 0 HA VAL A 3 0.625 -3.243 -2.731 1.00 0.40 H new ATOM 0 HB VAL A 3 1.701 -5.598 -2.433 1.00 0.54 H new ATOM 0 HG11 VAL A 3 3.540 -5.039 -3.982 1.00 1.03 H new ATOM 0 HG12 VAL A 3 2.031 -4.204 -4.422 1.00 1.03 H new ATOM 0 HG13 VAL A 3 3.333 -3.314 -3.597 1.00 1.03 H new ATOM 0 HG21 VAL A 3 4.032 -5.577 -1.628 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.848 -3.872 -1.154 1.00 1.53 H new ATOM 0 HG23 VAL A 3 2.886 -5.130 -0.343 1.00 1.53 H new ATOM 201 N LEU A 4 -0.985 -4.378 -1.323 1.00 0.34 N ATOM 202 CA LEU A 4 -2.018 -5.037 -0.547 1.00 0.41 C ATOM 203 C LEU A 4 -2.312 -6.374 -1.198 1.00 0.36 C ATOM 204 O LEU A 4 -2.634 -6.430 -2.377 1.00 0.32 O ATOM 205 CB LEU A 4 -3.343 -4.259 -0.541 1.00 0.49 C ATOM 206 CG LEU A 4 -3.304 -2.737 -0.376 1.00 0.96 C ATOM 207 CD1 LEU A 4 -2.767 -2.055 -1.619 1.00 1.85 C ATOM 208 CD2 LEU A 4 -4.706 -2.239 -0.069 1.00 1.66 C ATOM 0 H LEU A 4 -1.294 -4.076 -2.247 1.00 0.34 H new ATOM 0 HA LEU A 4 -1.652 -5.121 0.476 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -3.858 -4.476 -1.477 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -3.959 -4.662 0.263 1.00 0.49 H new ATOM 0 HG LEU A 4 -2.631 -2.492 0.446 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -2.754 -0.976 -1.465 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -1.754 -2.406 -1.818 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -3.406 -2.292 -2.469 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -4.689 -1.156 0.050 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -5.374 -2.503 -0.889 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -5.062 -2.700 0.852 1.00 1.66 H new ATOM 220 N SER A 5 -2.242 -7.443 -0.458 1.00 0.42 N ATOM 221 CA SER A 5 -2.506 -8.737 -1.049 1.00 0.43 C ATOM 222 C SER A 5 -3.966 -9.108 -0.898 1.00 0.43 C ATOM 223 O SER A 5 -4.509 -9.180 0.205 1.00 0.55 O ATOM 224 CB SER A 5 -1.587 -9.806 -0.482 1.00 0.55 C ATOM 225 OG SER A 5 -0.246 -9.556 -0.868 1.00 1.19 O ATOM 0 H SER A 5 -2.010 -7.454 0.535 1.00 0.42 H new ATOM 0 HA SER A 5 -2.292 -8.671 -2.116 1.00 0.43 H new ATOM 0 HB2 SER A 5 -1.663 -9.821 0.605 1.00 0.55 H new ATOM 0 HB3 SER A 5 -1.898 -10.788 -0.837 1.00 0.55 H new ATOM 0 HG SER A 5 -0.101 -9.885 -1.780 1.00 1.19 H new ATOM 231 N ARG A 6 -4.588 -9.318 -2.038 1.00 0.37 N ATOM 232 CA ARG A 6 -5.998 -9.594 -2.126 1.00 0.42 C ATOM 233 C ARG A 6 -6.213 -10.537 -3.299 1.00 0.38 C ATOM 234 O ARG A 6 -5.923 -10.192 -4.445 1.00 0.37 O ATOM 235 CB ARG A 6 -6.758 -8.266 -2.290 1.00 0.50 C ATOM 236 CG ARG A 6 -8.061 -8.361 -3.072 1.00 0.96 C ATOM 237 CD ARG A 6 -8.006 -7.514 -4.340 1.00 1.31 C ATOM 238 NE ARG A 6 -6.892 -7.905 -5.204 1.00 1.92 N ATOM 239 CZ ARG A 6 -6.508 -7.250 -6.294 1.00 2.57 C ATOM 240 NH1 ARG A 6 -7.185 -6.189 -6.720 1.00 2.77 N ATOM 241 NH2 ARG A 6 -5.451 -7.678 -6.972 1.00 3.50 N ATOM 0 H ARG A 6 -4.117 -9.301 -2.942 1.00 0.37 H new ATOM 0 HA ARG A 6 -6.378 -10.074 -1.224 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.975 -7.864 -1.300 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.104 -7.550 -2.788 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.256 -9.401 -3.334 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.889 -8.030 -2.446 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -8.944 -7.616 -4.887 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -7.906 -6.462 -4.071 1.00 1.31 H new ATOM 0 HE ARG A 6 -6.371 -8.744 -4.950 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -8.008 -5.870 -6.209 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -6.882 -5.693 -7.558 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -4.942 -8.503 -6.655 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -5.148 -7.182 -7.810 1.00 3.50 H new ATOM 255 N LYS A 7 -6.720 -11.716 -3.022 1.00 0.40 N ATOM 256 CA LYS A 7 -6.782 -12.772 -4.025 1.00 0.42 C ATOM 257 C LYS A 7 -8.167 -12.784 -4.641 1.00 0.45 C ATOM 258 O LYS A 7 -8.679 -13.812 -5.080 1.00 0.61 O ATOM 259 CB LYS A 7 -6.444 -14.120 -3.376 1.00 0.47 C ATOM 260 CG LYS A 7 -5.436 -14.003 -2.235 1.00 0.64 C ATOM 261 CD LYS A 7 -4.187 -13.262 -2.639 1.00 0.77 C ATOM 262 CE LYS A 7 -3.639 -12.505 -1.450 1.00 0.66 C ATOM 263 NZ LYS A 7 -3.179 -13.424 -0.376 1.00 0.85 N ATOM 0 H LYS A 7 -7.098 -11.975 -2.111 1.00 0.40 H new ATOM 0 HA LYS A 7 -6.053 -12.590 -4.815 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -7.360 -14.573 -2.998 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -6.046 -14.792 -4.136 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -5.903 -13.490 -1.394 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -5.166 -15.001 -1.890 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -3.441 -13.963 -3.012 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -4.409 -12.571 -3.452 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -2.809 -11.876 -1.771 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -4.408 -11.841 -1.056 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -2.795 -12.869 0.415 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -3.981 -13.995 -0.041 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -2.439 -14.052 -0.750 1.00 0.85 H new ATOM 277 N ILE A 8 -8.752 -11.597 -4.678 1.00 0.47 N ATOM 278 CA ILE A 8 -10.141 -11.418 -5.056 1.00 0.53 C ATOM 279 C ILE A 8 -10.249 -10.524 -6.287 1.00 0.54 C ATOM 280 O ILE A 8 -11.333 -10.343 -6.834 1.00 0.66 O ATOM 281 CB ILE A 8 -10.914 -10.765 -3.887 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.374 -11.279 -2.538 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.407 -11.047 -4.012 1.00 0.72 C ATOM 284 CD1 ILE A 8 -10.713 -12.728 -2.250 1.00 1.17 C ATOM 0 H ILE A 8 -8.272 -10.728 -4.445 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.568 -12.394 -5.287 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.766 -9.686 -3.930 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -9.291 -11.160 -2.523 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -10.774 -10.657 -1.737 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -12.936 -10.580 -3.181 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.777 -10.639 -4.953 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.577 -12.123 -3.991 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -10.298 -13.014 -1.283 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -11.796 -12.851 -2.231 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -10.289 -13.362 -3.028 1.00 1.17 H new ATOM 296 N ASN A 9 -9.100 -9.978 -6.707 1.00 0.50 N ATOM 297 CA ASN A 9 -9.005 -8.987 -7.800 1.00 0.51 C ATOM 298 C ASN A 9 -10.078 -7.897 -7.709 1.00 0.56 C ATOM 299 O ASN A 9 -10.399 -7.244 -8.703 1.00 0.74 O ATOM 300 CB ASN A 9 -9.008 -9.647 -9.198 1.00 0.60 C ATOM 301 CG ASN A 9 -10.275 -10.424 -9.527 1.00 1.27 C ATOM 302 OD1 ASN A 9 -11.246 -9.865 -10.039 1.00 2.27 O ATOM 303 ND2 ASN A 9 -10.260 -11.721 -9.265 1.00 1.56 N ATOM 0 H ASN A 9 -8.196 -10.212 -6.296 1.00 0.50 H new ATOM 0 HA ASN A 9 -8.039 -8.501 -7.667 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -8.866 -8.872 -9.952 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -8.155 -10.321 -9.269 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -11.073 -12.296 -9.488 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -9.436 -12.146 -8.840 1.00 1.56 H new ATOM 310 N GLU A 10 -10.583 -7.670 -6.501 1.00 0.74 N ATOM 311 CA GLU A 10 -11.554 -6.618 -6.255 1.00 0.81 C ATOM 312 C GLU A 10 -10.865 -5.261 -6.211 1.00 0.77 C ATOM 313 O GLU A 10 -9.633 -5.179 -6.217 1.00 1.04 O ATOM 314 CB GLU A 10 -12.291 -6.874 -4.936 1.00 0.87 C ATOM 315 CG GLU A 10 -11.370 -6.962 -3.727 1.00 0.82 C ATOM 316 CD GLU A 10 -12.128 -7.087 -2.422 1.00 0.95 C ATOM 317 OE1 GLU A 10 -12.525 -8.214 -2.065 1.00 1.11 O ATOM 318 OE2 GLU A 10 -12.318 -6.059 -1.742 1.00 1.12 O ATOM 0 H GLU A 10 -10.331 -8.208 -5.672 1.00 0.74 H new ATOM 0 HA GLU A 10 -12.278 -6.618 -7.070 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -13.014 -6.075 -4.773 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.856 -7.803 -5.020 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.708 -7.820 -3.841 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.738 -6.075 -3.692 1.00 0.82 H new ATOM 325 N ALA A 11 -11.656 -4.208 -6.142 1.00 0.53 N ATOM 326 CA ALA A 11 -11.121 -2.858 -6.115 1.00 0.46 C ATOM 327 C ALA A 11 -11.317 -2.252 -4.741 1.00 0.38 C ATOM 328 O ALA A 11 -12.338 -2.485 -4.094 1.00 0.41 O ATOM 329 CB ALA A 11 -11.790 -1.988 -7.170 1.00 0.56 C ATOM 0 H ALA A 11 -12.674 -4.260 -6.103 1.00 0.53 H new ATOM 0 HA ALA A 11 -10.055 -2.906 -6.338 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -11.373 -0.982 -7.130 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -11.615 -2.415 -8.158 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -12.862 -1.944 -6.979 1.00 0.56 H new ATOM 335 N ILE A 12 -10.345 -1.475 -4.293 1.00 0.34 N ATOM 336 CA ILE A 12 -10.416 -0.896 -2.966 1.00 0.32 C ATOM 337 C ILE A 12 -10.704 0.596 -3.058 1.00 0.28 C ATOM 338 O ILE A 12 -9.870 1.372 -3.519 1.00 0.33 O ATOM 339 CB ILE A 12 -9.108 -1.124 -2.174 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.678 -2.593 -2.246 1.00 0.42 C ATOM 341 CG2 ILE A 12 -9.285 -0.700 -0.721 1.00 0.46 C ATOM 342 CD1 ILE A 12 -9.709 -3.569 -1.711 1.00 0.98 C ATOM 0 H ILE A 12 -9.507 -1.234 -4.823 1.00 0.34 H new ATOM 0 HA ILE A 12 -11.227 -1.393 -2.434 1.00 0.32 H new ATOM 0 HB ILE A 12 -8.327 -0.513 -2.626 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -8.459 -2.845 -3.283 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.751 -2.717 -1.685 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -8.355 -0.867 -0.177 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.545 0.358 -0.680 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -10.082 -1.287 -0.265 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -9.327 -4.586 -1.798 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.912 -3.346 -0.663 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -10.630 -3.477 -2.286 1.00 0.98 H new ATOM 354 N GLN A 13 -11.905 0.977 -2.643 1.00 0.25 N ATOM 355 CA GLN A 13 -12.307 2.375 -2.603 1.00 0.26 C ATOM 356 C GLN A 13 -12.559 2.780 -1.158 1.00 0.25 C ATOM 357 O GLN A 13 -13.603 2.467 -0.591 1.00 0.30 O ATOM 358 CB GLN A 13 -13.581 2.584 -3.433 1.00 0.33 C ATOM 359 CG GLN A 13 -14.206 3.970 -3.291 1.00 0.40 C ATOM 360 CD GLN A 13 -13.414 5.056 -3.992 1.00 0.81 C ATOM 361 OE1 GLN A 13 -13.643 5.340 -5.166 1.00 1.62 O ATOM 362 NE2 GLN A 13 -12.474 5.670 -3.284 1.00 0.91 N ATOM 0 H GLN A 13 -12.625 0.328 -2.326 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.513 2.991 -3.024 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.348 2.410 -4.483 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.317 1.835 -3.141 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.218 3.948 -3.696 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.291 4.217 -2.233 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -12.314 5.406 -2.312 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -11.912 6.406 -3.712 1.00 0.91 H new ATOM 371 N ILE A 14 -11.594 3.448 -0.548 1.00 0.25 N ATOM 372 CA ILE A 14 -11.721 3.817 0.851 1.00 0.26 C ATOM 373 C ILE A 14 -11.748 5.330 1.052 1.00 0.29 C ATOM 374 O ILE A 14 -10.805 6.045 0.693 1.00 0.30 O ATOM 375 CB ILE A 14 -10.628 3.177 1.743 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.206 3.510 1.252 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.835 1.669 1.822 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.686 2.614 0.144 1.00 0.31 C ATOM 0 H ILE A 14 -10.725 3.743 -0.993 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.683 3.415 1.168 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.725 3.604 2.741 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.191 4.542 0.902 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.522 3.450 2.099 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -10.062 1.228 2.451 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.815 1.458 2.250 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.776 1.241 0.821 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.679 2.926 -0.134 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.663 1.581 0.492 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.342 2.690 -0.723 1.00 0.31 H new ATOM 390 N GLY A 15 -12.875 5.805 1.579 1.00 0.33 N ATOM 391 CA GLY A 15 -13.006 7.186 2.016 1.00 0.39 C ATOM 392 C GLY A 15 -12.831 8.203 0.906 1.00 0.59 C ATOM 393 O GLY A 15 -12.559 9.372 1.174 1.00 1.36 O ATOM 0 H GLY A 15 -13.716 5.244 1.713 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -13.989 7.322 2.468 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -12.268 7.382 2.794 1.00 0.39 H new ATOM 397 N ALA A 16 -12.966 7.752 -0.338 1.00 0.46 N ATOM 398 CA ALA A 16 -12.854 8.624 -1.507 1.00 0.51 C ATOM 399 C ALA A 16 -11.467 9.265 -1.620 1.00 0.49 C ATOM 400 O ALA A 16 -11.285 10.230 -2.363 1.00 0.71 O ATOM 401 CB ALA A 16 -13.935 9.698 -1.471 1.00 0.71 C ATOM 0 H ALA A 16 -13.155 6.776 -0.565 1.00 0.46 H new ATOM 0 HA ALA A 16 -12.995 8.002 -2.391 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -13.840 10.340 -2.347 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -14.917 9.226 -1.472 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -13.822 10.298 -0.568 1.00 0.71 H new ATOM 407 N ASP A 17 -10.492 8.737 -0.885 1.00 0.45 N ATOM 408 CA ASP A 17 -9.113 9.211 -1.003 1.00 0.47 C ATOM 409 C ASP A 17 -8.341 8.296 -1.931 1.00 0.40 C ATOM 410 O ASP A 17 -7.723 8.737 -2.902 1.00 0.45 O ATOM 411 CB ASP A 17 -8.399 9.247 0.353 1.00 0.53 C ATOM 412 CG ASP A 17 -6.999 9.834 0.240 1.00 1.10 C ATOM 413 OD1 ASP A 17 -6.867 10.977 -0.247 1.00 1.04 O ATOM 414 OD2 ASP A 17 -6.026 9.156 0.630 1.00 1.80 O ATOM 0 H ASP A 17 -10.627 7.987 -0.207 1.00 0.45 H new ATOM 0 HA ASP A 17 -9.150 10.226 -1.399 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -8.985 9.838 1.057 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -8.338 8.237 0.758 1.00 0.53 H new ATOM 419 N ILE A 18 -8.399 7.012 -1.629 1.00 0.35 N ATOM 420 CA ILE A 18 -7.668 6.017 -2.381 1.00 0.35 C ATOM 421 C ILE A 18 -8.622 5.008 -3.011 1.00 0.31 C ATOM 422 O ILE A 18 -9.433 4.386 -2.321 1.00 0.30 O ATOM 423 CB ILE A 18 -6.641 5.295 -1.475 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.502 6.251 -1.095 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.087 4.051 -2.157 1.00 0.41 C ATOM 426 CD1 ILE A 18 -4.691 6.742 -2.274 1.00 0.61 C ATOM 0 H ILE A 18 -8.952 6.634 -0.859 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.128 6.525 -3.180 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.153 4.980 -0.566 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -5.922 7.111 -0.573 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -4.837 5.747 -0.394 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.368 3.564 -1.498 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -6.903 3.362 -2.376 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -5.593 4.335 -3.086 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -3.907 7.412 -1.922 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.240 5.891 -2.785 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.342 7.277 -2.966 1.00 0.61 H new ATOM 438 N GLU A 19 -8.560 4.908 -4.329 1.00 0.34 N ATOM 439 CA GLU A 19 -9.317 3.910 -5.068 1.00 0.35 C ATOM 440 C GLU A 19 -8.485 3.368 -6.221 1.00 0.36 C ATOM 441 O GLU A 19 -8.045 4.129 -7.085 1.00 0.44 O ATOM 442 CB GLU A 19 -10.649 4.470 -5.588 1.00 0.47 C ATOM 443 CG GLU A 19 -10.540 5.695 -6.490 1.00 1.35 C ATOM 444 CD GLU A 19 -10.071 6.937 -5.760 1.00 1.71 C ATOM 445 OE1 GLU A 19 -10.840 7.481 -4.937 1.00 2.27 O ATOM 446 OE2 GLU A 19 -8.930 7.380 -6.015 1.00 2.07 O ATOM 0 H GLU A 19 -7.986 5.514 -4.915 1.00 0.34 H new ATOM 0 HA GLU A 19 -9.551 3.098 -4.380 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -11.165 3.682 -6.136 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -11.274 4.725 -4.732 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -9.849 5.478 -7.304 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -11.512 5.893 -6.942 1.00 1.35 H new ATOM 453 N VAL A 20 -8.264 2.060 -6.230 1.00 0.36 N ATOM 454 CA VAL A 20 -7.449 1.437 -7.256 1.00 0.43 C ATOM 455 C VAL A 20 -7.267 -0.048 -6.960 1.00 0.39 C ATOM 456 O VAL A 20 -7.330 -0.477 -5.802 1.00 0.36 O ATOM 457 CB VAL A 20 -6.056 2.115 -7.366 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.200 1.828 -6.139 1.00 0.52 C ATOM 459 CG2 VAL A 20 -5.339 1.692 -8.640 1.00 0.67 C ATOM 0 H VAL A 20 -8.639 1.413 -5.537 1.00 0.36 H new ATOM 0 HA VAL A 20 -7.969 1.560 -8.206 1.00 0.43 H new ATOM 0 HB VAL A 20 -6.218 3.192 -7.413 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.232 2.317 -6.248 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -5.701 2.209 -5.249 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -5.054 0.752 -6.041 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -4.367 2.182 -8.690 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -5.201 0.611 -8.638 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -5.935 1.980 -9.506 1.00 0.67 H new ATOM 469 N LYS A 21 -7.119 -0.827 -8.011 1.00 0.44 N ATOM 470 CA LYS A 21 -6.687 -2.202 -7.899 1.00 0.44 C ATOM 471 C LYS A 21 -5.587 -2.467 -8.905 1.00 0.46 C ATOM 472 O LYS A 21 -5.846 -2.711 -10.079 1.00 0.57 O ATOM 473 CB LYS A 21 -7.857 -3.165 -8.109 1.00 0.55 C ATOM 474 CG LYS A 21 -8.791 -2.762 -9.236 1.00 1.51 C ATOM 475 CD LYS A 21 -9.857 -3.821 -9.469 1.00 2.23 C ATOM 476 CE LYS A 21 -10.807 -3.425 -10.586 1.00 3.01 C ATOM 477 NZ LYS A 21 -11.868 -4.446 -10.793 1.00 3.67 N ATOM 0 H LYS A 21 -7.296 -0.523 -8.968 1.00 0.44 H new ATOM 0 HA LYS A 21 -6.301 -2.370 -6.893 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -7.463 -4.160 -8.315 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -8.429 -3.234 -7.184 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -9.266 -1.810 -8.996 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -8.218 -2.611 -10.151 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -9.380 -4.769 -9.716 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -10.421 -3.978 -8.550 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -11.267 -2.465 -10.350 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -10.246 -3.291 -11.511 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -12.497 -4.141 -11.563 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -11.430 -5.356 -11.043 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -12.419 -4.556 -9.918 1.00 3.67 H new ATOM 491 N VAL A 22 -4.354 -2.409 -8.446 1.00 0.40 N ATOM 492 CA VAL A 22 -3.234 -2.743 -9.304 1.00 0.42 C ATOM 493 C VAL A 22 -2.867 -4.190 -9.069 1.00 0.38 C ATOM 494 O VAL A 22 -2.250 -4.518 -8.065 1.00 0.39 O ATOM 495 CB VAL A 22 -2.003 -1.854 -9.022 1.00 0.54 C ATOM 496 CG1 VAL A 22 -0.877 -2.167 -9.997 1.00 1.32 C ATOM 497 CG2 VAL A 22 -2.371 -0.379 -9.082 1.00 0.82 C ATOM 0 H VAL A 22 -4.102 -2.137 -7.496 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.532 -2.574 -10.339 1.00 0.42 H new ATOM 0 HB VAL A 22 -1.653 -2.074 -8.013 1.00 0.54 H new ATOM 0 HG11 VAL A 22 -0.020 -1.529 -9.780 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -0.587 -3.213 -9.894 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -1.217 -1.984 -11.016 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -1.487 0.225 -8.880 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -2.755 -0.140 -10.074 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -3.136 -0.164 -8.335 1.00 0.82 H new ATOM 507 N ILE A 23 -3.233 -5.045 -9.999 1.00 0.39 N ATOM 508 CA ILE A 23 -3.051 -6.466 -9.820 1.00 0.38 C ATOM 509 C ILE A 23 -1.688 -6.896 -10.337 1.00 0.41 C ATOM 510 O ILE A 23 -1.388 -6.792 -11.526 1.00 0.50 O ATOM 511 CB ILE A 23 -4.173 -7.260 -10.514 1.00 0.45 C ATOM 512 CG1 ILE A 23 -5.544 -6.741 -10.053 1.00 0.51 C ATOM 513 CG2 ILE A 23 -4.038 -8.746 -10.211 1.00 0.48 C ATOM 514 CD1 ILE A 23 -6.697 -7.219 -10.908 1.00 1.39 C ATOM 0 H ILE A 23 -3.659 -4.779 -10.887 1.00 0.39 H new ATOM 0 HA ILE A 23 -3.100 -6.683 -8.753 1.00 0.38 H new ATOM 0 HB ILE A 23 -4.088 -7.121 -11.592 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.713 -7.055 -9.023 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -5.529 -5.651 -10.056 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.839 -9.293 -10.709 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -3.074 -9.105 -10.572 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -4.104 -8.905 -9.135 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -7.631 -6.811 -10.520 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -6.553 -6.883 -11.935 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -6.740 -8.308 -10.886 1.00 1.39 H new ATOM 526 N ALA A 24 -0.873 -7.375 -9.421 1.00 0.38 N ATOM 527 CA ALA A 24 0.495 -7.743 -9.722 1.00 0.45 C ATOM 528 C ALA A 24 0.764 -9.183 -9.314 1.00 0.41 C ATOM 529 O ALA A 24 0.052 -9.747 -8.476 1.00 0.39 O ATOM 530 CB ALA A 24 1.455 -6.801 -9.014 1.00 0.55 C ATOM 0 H ALA A 24 -1.140 -7.520 -8.447 1.00 0.38 H new ATOM 0 HA ALA A 24 0.650 -7.660 -10.798 1.00 0.45 H new ATOM 0 HB1 ALA A 24 2.481 -7.085 -9.246 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.277 -5.780 -9.350 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.296 -6.862 -7.937 1.00 0.55 H new ATOM 536 N VAL A 25 1.784 -9.773 -9.915 1.00 0.56 N ATOM 537 CA VAL A 25 2.122 -11.162 -9.663 1.00 0.60 C ATOM 538 C VAL A 25 3.141 -11.277 -8.534 1.00 0.56 C ATOM 539 O VAL A 25 4.279 -10.824 -8.658 1.00 0.78 O ATOM 540 CB VAL A 25 2.677 -11.848 -10.931 1.00 0.91 C ATOM 541 CG1 VAL A 25 2.912 -13.333 -10.688 1.00 1.48 C ATOM 542 CG2 VAL A 25 1.739 -11.634 -12.113 1.00 1.67 C ATOM 0 H VAL A 25 2.395 -9.307 -10.585 1.00 0.56 H new ATOM 0 HA VAL A 25 1.203 -11.668 -9.369 1.00 0.60 H new ATOM 0 HB VAL A 25 3.637 -11.391 -11.171 1.00 0.91 H new ATOM 0 HG11 VAL A 25 3.303 -13.793 -11.596 1.00 1.48 H new ATOM 0 HG12 VAL A 25 3.631 -13.460 -9.879 1.00 1.48 H new ATOM 0 HG13 VAL A 25 1.971 -13.811 -10.416 1.00 1.48 H new ATOM 0 HG21 VAL A 25 2.148 -12.125 -12.996 1.00 1.67 H new ATOM 0 HG22 VAL A 25 0.761 -12.057 -11.883 1.00 1.67 H new ATOM 0 HG23 VAL A 25 1.636 -10.566 -12.307 1.00 1.67 H new ATOM 552 N GLU A 26 2.713 -11.873 -7.433 1.00 0.43 N ATOM 553 CA GLU A 26 3.569 -12.093 -6.272 1.00 0.48 C ATOM 554 C GLU A 26 4.071 -13.538 -6.281 1.00 0.53 C ATOM 555 O GLU A 26 4.023 -14.242 -5.269 1.00 0.68 O ATOM 556 CB GLU A 26 2.758 -11.825 -5.001 1.00 0.51 C ATOM 557 CG GLU A 26 3.579 -11.756 -3.714 1.00 0.74 C ATOM 558 CD GLU A 26 4.734 -10.771 -3.772 1.00 1.01 C ATOM 559 OE1 GLU A 26 5.725 -11.058 -4.473 1.00 1.85 O ATOM 560 OE2 GLU A 26 4.655 -9.703 -3.129 1.00 1.50 O ATOM 0 H GLU A 26 1.761 -12.220 -7.316 1.00 0.43 H new ATOM 0 HA GLU A 26 4.426 -11.420 -6.303 1.00 0.48 H new ATOM 0 HB2 GLU A 26 2.221 -10.884 -5.122 1.00 0.51 H new ATOM 0 HB3 GLU A 26 2.008 -12.609 -4.894 1.00 0.51 H new ATOM 0 HG2 GLU A 26 2.921 -11.481 -2.889 1.00 0.74 H new ATOM 0 HG3 GLU A 26 3.972 -12.748 -3.492 1.00 0.74 H new ATOM 567 N GLY A 27 4.541 -13.982 -7.432 1.00 0.54 N ATOM 568 CA GLY A 27 4.919 -15.369 -7.585 1.00 0.60 C ATOM 569 C GLY A 27 3.704 -16.244 -7.804 1.00 0.69 C ATOM 570 O GLY A 27 3.406 -16.637 -8.933 1.00 0.80 O ATOM 0 H GLY A 27 4.668 -13.407 -8.265 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.602 -15.472 -8.428 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.456 -15.703 -6.697 1.00 0.60 H new ATOM 574 N ASP A 28 2.980 -16.522 -6.731 1.00 0.75 N ATOM 575 CA ASP A 28 1.757 -17.308 -6.825 1.00 0.93 C ATOM 576 C ASP A 28 0.628 -16.641 -6.047 1.00 0.85 C ATOM 577 O ASP A 28 -0.436 -17.223 -5.840 1.00 1.07 O ATOM 578 CB ASP A 28 1.985 -18.740 -6.324 1.00 1.21 C ATOM 579 CG ASP A 28 2.073 -18.834 -4.814 1.00 1.64 C ATOM 580 OD1 ASP A 28 2.984 -18.208 -4.227 1.00 2.21 O ATOM 581 OD2 ASP A 28 1.235 -19.526 -4.203 1.00 2.13 O ATOM 0 H ASP A 28 3.216 -16.217 -5.787 1.00 0.75 H new ATOM 0 HA ASP A 28 1.469 -17.359 -7.875 1.00 0.93 H new ATOM 0 HB2 ASP A 28 1.172 -19.375 -6.675 1.00 1.21 H new ATOM 0 HB3 ASP A 28 2.905 -19.129 -6.761 1.00 1.21 H new ATOM 586 N GLN A 29 0.864 -15.406 -5.646 1.00 0.61 N ATOM 587 CA GLN A 29 -0.134 -14.620 -4.939 1.00 0.54 C ATOM 588 C GLN A 29 -0.504 -13.413 -5.791 1.00 0.41 C ATOM 589 O GLN A 29 0.356 -12.816 -6.432 1.00 0.38 O ATOM 590 CB GLN A 29 0.428 -14.181 -3.579 1.00 0.60 C ATOM 591 CG GLN A 29 -0.544 -13.392 -2.707 1.00 0.62 C ATOM 592 CD GLN A 29 -0.138 -13.378 -1.252 1.00 0.73 C ATOM 593 OE1 GLN A 29 -0.509 -14.259 -0.484 1.00 1.01 O ATOM 594 NE2 GLN A 29 0.594 -12.360 -0.852 1.00 0.74 N ATOM 0 H GLN A 29 1.748 -14.920 -5.799 1.00 0.61 H new ATOM 0 HA GLN A 29 -1.030 -15.215 -4.762 1.00 0.54 H new ATOM 0 HB2 GLN A 29 0.748 -15.067 -3.031 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.317 -13.573 -3.749 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -0.605 -12.367 -3.073 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.541 -13.823 -2.798 1.00 0.62 H new ATOM 0 HE21 GLN A 29 0.884 -11.646 -1.521 1.00 0.74 H new ATOM 0 HE22 GLN A 29 0.872 -12.285 0.127 1.00 0.74 H new ATOM 603 N VAL A 30 -1.780 -13.077 -5.843 1.00 0.37 N ATOM 604 CA VAL A 30 -2.204 -11.908 -6.588 1.00 0.31 C ATOM 605 C VAL A 30 -2.539 -10.783 -5.634 1.00 0.24 C ATOM 606 O VAL A 30 -3.295 -10.949 -4.677 1.00 0.28 O ATOM 607 CB VAL A 30 -3.399 -12.184 -7.530 1.00 0.42 C ATOM 608 CG1 VAL A 30 -3.012 -13.183 -8.613 1.00 1.08 C ATOM 609 CG2 VAL A 30 -4.613 -12.681 -6.759 1.00 0.98 C ATOM 0 H VAL A 30 -2.532 -13.591 -5.384 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.368 -11.621 -7.226 1.00 0.31 H new ATOM 0 HB VAL A 30 -3.668 -11.241 -8.005 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -3.867 -13.363 -9.265 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -2.186 -12.781 -9.200 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -2.705 -14.121 -8.150 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -5.434 -12.865 -7.452 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -4.361 -13.606 -6.241 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -4.915 -11.928 -6.031 1.00 0.98 H new ATOM 619 N LYS A 31 -1.929 -9.652 -5.867 1.00 0.20 N ATOM 620 CA LYS A 31 -2.021 -8.559 -4.938 1.00 0.21 C ATOM 621 C LYS A 31 -2.269 -7.242 -5.662 1.00 0.22 C ATOM 622 O LYS A 31 -1.917 -7.097 -6.830 1.00 0.25 O ATOM 623 CB LYS A 31 -0.738 -8.519 -4.118 1.00 0.31 C ATOM 624 CG LYS A 31 0.451 -7.992 -4.895 1.00 0.38 C ATOM 625 CD LYS A 31 1.757 -8.274 -4.185 1.00 0.55 C ATOM 626 CE LYS A 31 1.703 -7.835 -2.735 1.00 0.64 C ATOM 627 NZ LYS A 31 3.026 -7.971 -2.079 1.00 0.91 N ATOM 0 H LYS A 31 -1.362 -9.464 -6.694 1.00 0.20 H new ATOM 0 HA LYS A 31 -2.871 -8.708 -4.272 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -0.896 -7.894 -3.239 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.513 -9.523 -3.759 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.470 -8.449 -5.885 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.342 -6.917 -5.042 1.00 0.38 H new ATOM 0 HD2 LYS A 31 1.978 -9.340 -4.236 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.569 -7.755 -4.694 1.00 0.55 H new ATOM 0 HE2 LYS A 31 1.372 -6.798 -2.679 1.00 0.64 H new ATOM 0 HE3 LYS A 31 0.966 -8.434 -2.199 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 2.901 -7.996 -1.047 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 3.481 -8.851 -2.394 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 3.625 -7.161 -2.335 1.00 0.91 H new ATOM 641 N LEU A 32 -2.930 -6.320 -4.980 1.00 0.27 N ATOM 642 CA LEU A 32 -3.093 -4.962 -5.476 1.00 0.30 C ATOM 643 C LEU A 32 -2.082 -4.063 -4.789 1.00 0.29 C ATOM 644 O LEU A 32 -1.423 -4.489 -3.854 1.00 0.33 O ATOM 645 CB LEU A 32 -4.496 -4.402 -5.231 1.00 0.43 C ATOM 646 CG LEU A 32 -4.849 -4.118 -3.774 1.00 0.53 C ATOM 647 CD1 LEU A 32 -5.661 -2.840 -3.684 1.00 0.57 C ATOM 648 CD2 LEU A 32 -5.626 -5.267 -3.170 1.00 0.75 C ATOM 0 H LEU A 32 -3.366 -6.490 -4.074 1.00 0.27 H new ATOM 0 HA LEU A 32 -2.936 -4.990 -6.554 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -4.603 -3.478 -5.798 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.224 -5.108 -5.631 1.00 0.43 H new ATOM 0 HG LEU A 32 -3.923 -4.001 -3.212 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -5.911 -2.641 -2.642 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -5.078 -2.010 -4.083 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -6.578 -2.950 -4.263 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -5.865 -5.039 -2.131 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -6.549 -5.416 -3.730 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -5.025 -6.175 -3.213 1.00 0.75 H new ATOM 660 N GLY A 33 -1.904 -2.853 -5.272 1.00 0.29 N ATOM 661 CA GLY A 33 -1.090 -1.916 -4.537 1.00 0.29 C ATOM 662 C GLY A 33 -1.583 -0.497 -4.689 1.00 0.30 C ATOM 663 O GLY A 33 -2.108 -0.136 -5.742 1.00 0.41 O ATOM 0 H GLY A 33 -2.300 -2.503 -6.145 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -1.088 -2.188 -3.481 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.059 -1.981 -4.885 1.00 0.29 H new ATOM 667 N ILE A 34 -1.429 0.309 -3.644 1.00 0.26 N ATOM 668 CA ILE A 34 -1.818 1.709 -3.715 1.00 0.30 C ATOM 669 C ILE A 34 -0.579 2.587 -3.831 1.00 0.29 C ATOM 670 O ILE A 34 0.361 2.472 -3.040 1.00 0.27 O ATOM 671 CB ILE A 34 -2.678 2.166 -2.507 1.00 0.34 C ATOM 672 CG1 ILE A 34 -1.840 2.291 -1.233 1.00 0.35 C ATOM 673 CG2 ILE A 34 -3.831 1.200 -2.300 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.267 3.441 -0.347 1.00 1.16 C ATOM 0 H ILE A 34 -1.041 0.019 -2.746 1.00 0.26 H new ATOM 0 HA ILE A 34 -2.441 1.817 -4.603 1.00 0.30 H new ATOM 0 HB ILE A 34 -3.077 3.156 -2.729 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -1.909 1.361 -0.668 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -0.793 2.421 -1.506 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.431 1.526 -1.451 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -4.452 1.177 -3.196 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.439 0.202 -2.105 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -1.632 3.473 0.539 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.172 4.378 -0.896 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.305 3.302 -0.045 1.00 1.16 H new ATOM 686 N ASP A 35 -0.560 3.427 -4.845 1.00 0.36 N ATOM 687 CA ASP A 35 0.520 4.385 -5.009 1.00 0.37 C ATOM 688 C ASP A 35 -0.021 5.791 -4.850 1.00 0.38 C ATOM 689 O ASP A 35 -1.037 6.152 -5.448 1.00 0.51 O ATOM 690 CB ASP A 35 1.210 4.231 -6.366 1.00 0.53 C ATOM 691 CG ASP A 35 2.183 5.365 -6.651 1.00 1.15 C ATOM 692 OD1 ASP A 35 3.279 5.374 -6.063 1.00 1.94 O ATOM 693 OD2 ASP A 35 1.851 6.250 -7.473 1.00 1.40 O ATOM 0 H ASP A 35 -1.278 3.468 -5.569 1.00 0.36 H new ATOM 0 HA ASP A 35 1.267 4.192 -4.239 1.00 0.37 H new ATOM 0 HB2 ASP A 35 1.744 3.281 -6.394 1.00 0.53 H new ATOM 0 HB3 ASP A 35 0.456 4.196 -7.152 1.00 0.53 H new ATOM 698 N ALA A 36 0.653 6.575 -4.038 1.00 0.34 N ATOM 699 CA ALA A 36 0.208 7.920 -3.741 1.00 0.42 C ATOM 700 C ALA A 36 1.359 8.898 -3.880 1.00 0.46 C ATOM 701 O ALA A 36 2.501 8.558 -3.567 1.00 0.49 O ATOM 702 CB ALA A 36 -0.370 7.977 -2.335 1.00 0.48 C ATOM 0 H ALA A 36 1.517 6.303 -3.569 1.00 0.34 H new ATOM 0 HA ALA A 36 -0.570 8.200 -4.452 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -0.703 8.992 -2.119 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.217 7.295 -2.262 1.00 0.48 H new ATOM 0 HB3 ALA A 36 0.395 7.685 -1.615 1.00 0.48 H new ATOM 708 N PRO A 37 1.067 10.135 -4.325 1.00 0.54 N ATOM 709 CA PRO A 37 2.078 11.197 -4.490 1.00 0.63 C ATOM 710 C PRO A 37 2.598 11.726 -3.152 1.00 0.61 C ATOM 711 O PRO A 37 2.983 12.894 -3.042 1.00 0.65 O ATOM 712 CB PRO A 37 1.313 12.291 -5.237 1.00 0.71 C ATOM 713 CG PRO A 37 -0.113 12.078 -4.862 1.00 0.77 C ATOM 714 CD PRO A 37 -0.279 10.593 -4.726 1.00 0.62 C ATOM 0 HA PRO A 37 2.965 10.839 -5.013 1.00 0.63 H new ATOM 0 HB2 PRO A 37 1.655 13.284 -4.945 1.00 0.71 H new ATOM 0 HB3 PRO A 37 1.456 12.209 -6.314 1.00 0.71 H new ATOM 0 HG2 PRO A 37 -0.352 12.586 -3.928 1.00 0.77 H new ATOM 0 HG3 PRO A 37 -0.782 12.479 -5.623 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -1.030 10.339 -3.978 1.00 0.62 H new ATOM 0 HD3 PRO A 37 -0.596 10.136 -5.663 1.00 0.62 H new ATOM 722 N LYS A 38 2.610 10.845 -2.153 1.00 0.59 N ATOM 723 CA LYS A 38 3.080 11.158 -0.810 1.00 0.63 C ATOM 724 C LYS A 38 2.215 12.235 -0.167 1.00 0.68 C ATOM 725 O LYS A 38 2.676 13.025 0.657 1.00 1.12 O ATOM 726 CB LYS A 38 4.542 11.584 -0.850 1.00 0.73 C ATOM 727 CG LYS A 38 5.261 11.444 0.475 1.00 1.19 C ATOM 728 CD LYS A 38 5.250 10.012 0.976 1.00 0.90 C ATOM 729 CE LYS A 38 6.488 9.720 1.808 1.00 0.92 C ATOM 730 NZ LYS A 38 6.519 10.504 3.073 1.00 1.86 N ATOM 0 H LYS A 38 2.289 9.883 -2.258 1.00 0.59 H new ATOM 0 HA LYS A 38 2.999 10.260 -0.198 1.00 0.63 H new ATOM 0 HB2 LYS A 38 5.063 10.988 -1.599 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.598 12.623 -1.174 1.00 0.73 H new ATOM 0 HG2 LYS A 38 6.291 11.783 0.367 1.00 1.19 H new ATOM 0 HG3 LYS A 38 4.789 12.091 1.214 1.00 1.19 H new ATOM 0 HD2 LYS A 38 4.355 9.838 1.574 1.00 0.90 H new ATOM 0 HD3 LYS A 38 5.205 9.327 0.130 1.00 0.90 H new ATOM 0 HE2 LYS A 38 6.522 8.656 2.042 1.00 0.92 H new ATOM 0 HE3 LYS A 38 7.378 9.946 1.221 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 7.192 10.068 3.735 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 6.817 11.480 2.870 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 5.570 10.513 3.499 1.00 1.86 H new ATOM 744 N HIS A 39 0.946 12.249 -0.549 1.00 0.67 N ATOM 745 CA HIS A 39 -0.036 13.106 0.094 1.00 0.67 C ATOM 746 C HIS A 39 -0.216 12.684 1.555 1.00 0.62 C ATOM 747 O HIS A 39 0.406 11.723 2.017 1.00 0.70 O ATOM 748 CB HIS A 39 -1.387 13.011 -0.648 1.00 0.69 C ATOM 749 CG HIS A 39 -2.152 11.747 -0.361 1.00 0.60 C ATOM 750 ND1 HIS A 39 -1.544 10.602 0.100 1.00 0.57 N ATOM 751 CD2 HIS A 39 -3.477 11.468 -0.411 1.00 0.59 C ATOM 752 CE1 HIS A 39 -2.447 9.684 0.325 1.00 0.55 C ATOM 753 NE2 HIS A 39 -3.636 10.175 0.023 1.00 0.54 N ATOM 0 H HIS A 39 0.573 11.674 -1.304 1.00 0.67 H new ATOM 0 HA HIS A 39 0.316 14.137 0.059 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -2.003 13.867 -0.373 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -1.207 13.080 -1.721 1.00 0.69 H new ATOM 0 HD2 HIS A 39 -4.261 12.137 -0.732 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -2.253 8.689 0.696 1.00 0.55 H new ATOM 0 HE2 HIS A 39 -4.523 9.677 0.099 1.00 0.54 H new ATOM 762 N ILE A 40 -1.115 13.346 2.244 1.00 0.63 N ATOM 763 CA ILE A 40 -1.447 12.986 3.603 1.00 0.64 C ATOM 764 C ILE A 40 -2.567 11.968 3.553 1.00 0.44 C ATOM 765 O ILE A 40 -3.414 12.019 2.664 1.00 0.44 O ATOM 766 CB ILE A 40 -1.901 14.193 4.451 1.00 0.85 C ATOM 767 CG1 ILE A 40 -3.141 14.854 3.831 1.00 0.90 C ATOM 768 CG2 ILE A 40 -0.761 15.189 4.608 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.846 15.956 2.828 1.00 1.02 C ATOM 0 H ILE A 40 -1.635 14.145 1.881 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.550 12.586 4.076 1.00 0.64 H new ATOM 0 HB ILE A 40 -2.177 13.839 5.444 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.737 14.085 3.339 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -3.753 15.267 4.633 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -1.097 16.035 5.208 1.00 1.06 H new ATOM 0 HG22 ILE A 40 0.080 14.704 5.103 1.00 1.06 H new ATOM 0 HG23 ILE A 40 -0.449 15.543 3.625 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.783 16.361 2.446 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -2.280 16.750 3.316 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -2.263 15.549 2.002 1.00 1.02 H new ATOM 781 N ASP A 41 -2.569 11.042 4.476 1.00 0.43 N ATOM 782 CA ASP A 41 -3.580 10.009 4.469 1.00 0.34 C ATOM 783 C ASP A 41 -4.763 10.406 5.330 1.00 0.31 C ATOM 784 O ASP A 41 -4.688 10.452 6.557 1.00 0.38 O ATOM 785 CB ASP A 41 -2.985 8.662 4.877 1.00 0.54 C ATOM 786 CG ASP A 41 -1.988 8.754 6.014 1.00 0.90 C ATOM 787 OD1 ASP A 41 -2.434 8.888 7.172 1.00 1.05 O ATOM 788 OD2 ASP A 41 -0.770 8.683 5.768 1.00 1.36 O ATOM 0 H ASP A 41 -1.891 10.979 5.236 1.00 0.43 H new ATOM 0 HA ASP A 41 -3.954 9.894 3.452 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -3.793 7.991 5.168 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -2.495 8.214 4.012 1.00 0.54 H new ATOM 793 N ILE A 42 -5.851 10.731 4.654 1.00 0.28 N ATOM 794 CA ILE A 42 -7.072 11.157 5.313 1.00 0.30 C ATOM 795 C ILE A 42 -7.817 9.945 5.830 1.00 0.29 C ATOM 796 O ILE A 42 -7.861 8.918 5.165 1.00 0.31 O ATOM 797 CB ILE A 42 -7.998 11.914 4.335 1.00 0.38 C ATOM 798 CG1 ILE A 42 -7.207 12.940 3.522 1.00 0.41 C ATOM 799 CG2 ILE A 42 -9.138 12.590 5.084 1.00 0.47 C ATOM 800 CD1 ILE A 42 -6.606 14.050 4.358 1.00 1.28 C ATOM 0 H ILE A 42 -5.913 10.707 3.636 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.797 11.821 6.132 1.00 0.30 H new ATOM 0 HB ILE A 42 -8.426 11.187 3.645 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -6.408 12.427 2.987 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -7.864 13.379 2.771 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -9.777 13.117 4.375 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.724 11.837 5.611 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -8.730 13.301 5.803 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -6.061 14.738 3.712 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -7.401 14.589 4.873 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -5.923 13.623 5.092 1.00 1.28 H new ATOM 812 N HIS A 43 -8.355 10.036 7.030 1.00 0.31 N ATOM 813 CA HIS A 43 -9.221 8.995 7.558 1.00 0.33 C ATOM 814 C HIS A 43 -10.344 9.641 8.340 1.00 0.45 C ATOM 815 O HIS A 43 -10.289 10.826 8.659 1.00 0.52 O ATOM 816 CB HIS A 43 -8.485 8.021 8.488 1.00 0.30 C ATOM 817 CG HIS A 43 -7.093 7.677 8.066 1.00 0.27 C ATOM 818 ND1 HIS A 43 -6.000 7.927 8.854 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.622 7.092 6.940 1.00 0.23 C ATOM 820 CE1 HIS A 43 -4.915 7.513 8.238 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.259 6.996 7.072 1.00 0.28 N ATOM 0 H HIS A 43 -8.208 10.823 7.662 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.594 8.425 6.707 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.449 8.453 9.488 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -9.065 7.101 8.559 1.00 0.30 H new ATOM 0 HD1 HIS A 43 -6.025 8.366 9.775 1.00 0.37 H new ATOM 0 HD2 HIS A 43 -7.209 6.762 6.095 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -3.908 7.584 8.622 1.00 0.38 H new ATOM 830 N ARG A 44 -11.357 8.864 8.638 1.00 0.52 N ATOM 831 CA ARG A 44 -12.393 9.298 9.554 1.00 0.70 C ATOM 832 C ARG A 44 -12.383 8.369 10.751 1.00 0.87 C ATOM 833 O ARG A 44 -11.343 7.776 11.042 1.00 1.74 O ATOM 834 CB ARG A 44 -13.765 9.351 8.868 1.00 0.99 C ATOM 835 CG ARG A 44 -13.930 8.400 7.694 1.00 1.38 C ATOM 836 CD ARG A 44 -15.198 8.717 6.916 1.00 1.75 C ATOM 837 NE ARG A 44 -15.273 10.140 6.571 1.00 2.71 N ATOM 838 CZ ARG A 44 -16.190 10.682 5.771 1.00 3.43 C ATOM 839 NH1 ARG A 44 -17.120 9.930 5.193 1.00 3.41 N ATOM 840 NH2 ARG A 44 -16.176 11.990 5.548 1.00 4.52 N ATOM 0 H ARG A 44 -11.489 7.926 8.261 1.00 0.52 H new ATOM 0 HA ARG A 44 -12.193 10.316 9.889 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -14.534 9.129 9.608 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -13.942 10.369 8.520 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -13.065 8.475 7.035 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -13.967 7.372 8.055 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -15.227 8.118 6.006 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -16.069 8.438 7.509 1.00 1.75 H new ATOM 0 HE ARG A 44 -14.571 10.761 6.973 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -17.138 8.924 5.359 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -17.816 10.359 4.583 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -15.466 12.575 5.988 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -16.876 12.411 4.936 1.00 4.52 H new ATOM 854 N LYS A 45 -13.500 8.248 11.451 1.00 0.90 N ATOM 855 CA LYS A 45 -13.567 7.358 12.601 1.00 0.97 C ATOM 856 C LYS A 45 -13.162 5.949 12.186 1.00 1.10 C ATOM 857 O LYS A 45 -13.855 5.307 11.388 1.00 2.07 O ATOM 858 CB LYS A 45 -14.968 7.369 13.210 1.00 1.13 C ATOM 859 CG LYS A 45 -15.447 8.767 13.575 1.00 1.58 C ATOM 860 CD LYS A 45 -14.469 9.471 14.503 1.00 2.14 C ATOM 861 CE LYS A 45 -14.869 10.920 14.745 1.00 2.99 C ATOM 862 NZ LYS A 45 -16.158 11.035 15.481 1.00 3.41 N ATOM 0 H LYS A 45 -14.365 8.749 11.247 1.00 0.90 H new ATOM 0 HA LYS A 45 -12.872 7.710 13.363 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -15.669 6.924 12.504 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -14.975 6.744 14.103 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -15.576 9.356 12.667 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -16.423 8.704 14.055 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -14.424 8.942 15.455 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -13.468 9.436 14.072 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -14.084 11.422 15.311 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -14.952 11.436 13.789 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -16.363 12.037 15.667 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -16.923 10.625 14.908 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -16.089 10.523 16.383 1.00 3.41 H new ATOM 876 N GLU A 46 -12.022 5.504 12.720 1.00 0.79 N ATOM 877 CA GLU A 46 -11.371 4.253 12.327 1.00 0.83 C ATOM 878 C GLU A 46 -10.694 4.412 10.966 1.00 0.92 C ATOM 879 O GLU A 46 -11.345 4.759 9.973 1.00 1.78 O ATOM 880 CB GLU A 46 -12.359 3.087 12.298 1.00 0.95 C ATOM 881 CG GLU A 46 -11.788 1.794 12.837 1.00 1.87 C ATOM 882 CD GLU A 46 -11.512 1.868 14.322 1.00 2.53 C ATOM 883 OE1 GLU A 46 -12.416 1.540 15.121 1.00 2.94 O ATOM 884 OE2 GLU A 46 -10.387 2.253 14.701 1.00 3.10 O ATOM 0 H GLU A 46 -11.518 6.010 13.448 1.00 0.79 H new ATOM 0 HA GLU A 46 -10.613 4.024 13.076 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -13.241 3.355 12.880 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -12.690 2.928 11.272 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -12.485 0.980 12.639 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -10.864 1.558 12.309 1.00 1.87 H new ATOM 891 N ILE A 47 -9.384 4.176 10.929 1.00 0.52 N ATOM 892 CA ILE A 47 -8.604 4.354 9.707 1.00 0.42 C ATOM 893 C ILE A 47 -9.140 3.486 8.579 1.00 0.37 C ATOM 894 O ILE A 47 -9.307 2.273 8.722 1.00 0.40 O ATOM 895 CB ILE A 47 -7.109 4.039 9.903 1.00 0.46 C ATOM 896 CG1 ILE A 47 -6.917 2.561 10.273 1.00 0.53 C ATOM 897 CG2 ILE A 47 -6.509 4.945 10.964 1.00 0.52 C ATOM 898 CD1 ILE A 47 -5.486 2.168 10.579 1.00 0.61 C ATOM 0 H ILE A 47 -8.840 3.861 11.732 1.00 0.52 H new ATOM 0 HA ILE A 47 -8.703 5.408 9.446 1.00 0.42 H new ATOM 0 HB ILE A 47 -6.588 4.226 8.964 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -7.536 2.334 11.141 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -7.282 1.944 9.452 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -5.452 4.708 11.089 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -6.614 5.985 10.656 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -7.030 4.792 11.909 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -5.445 1.108 10.830 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -4.862 2.358 9.706 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -5.120 2.754 11.422 1.00 0.61 H new ATOM 910 N TYR A 48 -9.442 4.119 7.470 1.00 0.32 N ATOM 911 CA TYR A 48 -10.026 3.416 6.353 1.00 0.30 C ATOM 912 C TYR A 48 -8.977 2.933 5.345 1.00 0.29 C ATOM 913 O TYR A 48 -9.287 2.165 4.440 1.00 0.30 O ATOM 914 CB TYR A 48 -11.122 4.279 5.721 1.00 0.29 C ATOM 915 CG TYR A 48 -10.692 5.545 5.013 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.597 5.511 4.162 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.335 6.757 5.203 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.147 6.648 3.534 1.00 0.23 C ATOM 919 CE2 TYR A 48 -10.896 7.905 4.574 1.00 0.33 C ATOM 920 CZ TYR A 48 -10.014 7.888 3.692 1.00 0.29 C ATOM 921 OH TYR A 48 -9.341 8.973 3.111 1.00 0.31 O ATOM 0 H TYR A 48 -9.293 5.117 7.317 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.490 2.501 6.722 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.666 3.662 5.006 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.827 4.555 6.505 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -9.089 4.574 3.990 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.195 6.805 5.855 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.231 6.660 2.962 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.332 8.852 4.856 1.00 0.33 H new ATOM 0 HH TYR A 48 -8.449 9.056 3.509 1.00 0.31 H new ATOM 931 N LEU A 49 -7.737 3.379 5.508 1.00 0.29 N ATOM 932 CA LEU A 49 -6.671 3.044 4.563 1.00 0.29 C ATOM 933 C LEU A 49 -5.855 1.852 5.038 1.00 0.30 C ATOM 934 O LEU A 49 -5.972 0.766 4.483 1.00 0.36 O ATOM 935 CB LEU A 49 -5.757 4.254 4.343 1.00 0.36 C ATOM 936 CG LEU A 49 -6.085 5.104 3.115 1.00 0.40 C ATOM 937 CD1 LEU A 49 -5.339 6.428 3.168 1.00 0.60 C ATOM 938 CD2 LEU A 49 -5.720 4.348 1.851 1.00 0.67 C ATOM 0 H LEU A 49 -7.442 3.973 6.283 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.141 2.772 3.618 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -5.803 4.889 5.227 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -4.729 3.902 4.257 1.00 0.36 H new ATOM 0 HG LEU A 49 -7.155 5.312 3.109 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -5.585 7.020 2.286 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -5.631 6.975 4.065 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -4.266 6.240 3.191 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -5.956 4.960 0.980 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.654 4.122 1.857 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -6.287 3.418 1.806 1.00 0.67 H new ATOM 950 N THR A 50 -5.026 2.088 6.052 1.00 0.31 N ATOM 951 CA THR A 50 -4.098 1.100 6.611 1.00 0.36 C ATOM 952 C THR A 50 -3.124 0.551 5.547 1.00 0.41 C ATOM 953 O THR A 50 -2.453 -0.460 5.759 1.00 0.75 O ATOM 954 CB THR A 50 -4.835 -0.057 7.367 1.00 0.41 C ATOM 955 OG1 THR A 50 -3.977 -0.603 8.384 1.00 0.94 O ATOM 956 CG2 THR A 50 -5.275 -1.191 6.441 1.00 0.93 C ATOM 0 H THR A 50 -4.977 2.992 6.521 1.00 0.31 H new ATOM 0 HA THR A 50 -3.502 1.631 7.353 1.00 0.36 H new ATOM 0 HB THR A 50 -5.731 0.383 7.805 1.00 0.41 H new ATOM 0 HG1 THR A 50 -3.094 -0.790 8.002 1.00 0.94 H new ATOM 0 HG21 THR A 50 -5.779 -1.962 7.024 1.00 0.93 H new ATOM 0 HG22 THR A 50 -5.959 -0.801 5.687 1.00 0.93 H new ATOM 0 HG23 THR A 50 -4.401 -1.620 5.951 1.00 0.93 H new ATOM 964 N ILE A 51 -3.007 1.252 4.415 1.00 0.34 N ATOM 965 CA ILE A 51 -2.052 0.855 3.383 1.00 0.38 C ATOM 966 C ILE A 51 -0.815 1.743 3.443 1.00 0.35 C ATOM 967 O ILE A 51 0.251 1.301 3.864 1.00 0.36 O ATOM 968 CB ILE A 51 -2.647 0.902 1.954 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.121 0.515 1.988 1.00 0.44 C ATOM 970 CG2 ILE A 51 -1.881 -0.061 1.069 1.00 0.61 C ATOM 971 CD1 ILE A 51 -4.918 0.991 0.800 1.00 0.83 C ATOM 0 H ILE A 51 -3.554 2.084 4.194 1.00 0.34 H new ATOM 0 HA ILE A 51 -1.787 -0.182 3.590 1.00 0.38 H new ATOM 0 HB ILE A 51 -2.562 1.913 1.557 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.198 -0.571 2.050 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -4.569 0.919 2.896 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.293 -0.035 0.060 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -0.831 0.229 1.039 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -1.967 -1.071 1.470 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -5.955 0.672 0.906 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -4.877 2.079 0.746 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -4.499 0.567 -0.113 1.00 0.83 H new ATOM 983 N GLN A 52 -0.951 3.012 3.061 1.00 0.36 N ATOM 984 CA GLN A 52 0.206 3.897 3.052 1.00 0.39 C ATOM 985 C GLN A 52 0.529 4.384 4.437 1.00 0.38 C ATOM 986 O GLN A 52 1.630 4.838 4.690 1.00 0.53 O ATOM 987 CB GLN A 52 0.027 5.109 2.131 1.00 0.47 C ATOM 988 CG GLN A 52 -0.777 6.246 2.752 1.00 0.60 C ATOM 989 CD GLN A 52 -0.433 7.600 2.155 1.00 0.85 C ATOM 990 OE1 GLN A 52 -0.119 7.706 0.970 1.00 0.89 O ATOM 991 NE2 GLN A 52 -0.430 8.634 2.982 1.00 1.32 N ATOM 0 H GLN A 52 -1.827 3.439 2.762 1.00 0.36 H new ATOM 0 HA GLN A 52 1.030 3.297 2.666 1.00 0.39 H new ATOM 0 HB2 GLN A 52 1.010 5.485 1.847 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.467 4.786 1.215 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -1.841 6.052 2.613 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -0.595 6.270 3.826 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -0.697 8.507 3.958 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -0.161 9.558 2.643 1.00 1.32 H new ATOM 1000 N GLU A 53 -0.417 4.290 5.334 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.185 4.751 6.677 1.00 0.32 C ATOM 1002 C GLU A 53 0.607 3.712 7.456 1.00 0.32 C ATOM 1003 O GLU A 53 1.154 3.986 8.524 1.00 0.39 O ATOM 1004 CB GLU A 53 -1.502 5.063 7.345 1.00 0.39 C ATOM 1005 CG GLU A 53 -2.386 3.862 7.586 1.00 0.66 C ATOM 1006 CD GLU A 53 -3.747 4.273 8.081 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -3.889 4.502 9.302 1.00 1.41 O ATOM 1008 OE2 GLU A 53 -4.677 4.347 7.264 1.00 1.89 O ATOM 0 H GLU A 53 -1.345 3.903 5.162 1.00 0.31 H new ATOM 0 HA GLU A 53 0.405 5.667 6.653 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -1.304 5.549 8.300 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -2.046 5.780 6.730 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -2.490 3.293 6.662 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -1.916 3.202 8.315 1.00 0.66 H new ATOM 1015 N GLU A 54 0.653 2.514 6.900 1.00 0.33 N ATOM 1016 CA GLU A 54 1.517 1.467 7.400 1.00 0.39 C ATOM 1017 C GLU A 54 2.889 1.604 6.755 1.00 0.43 C ATOM 1018 O GLU A 54 3.908 1.249 7.342 1.00 0.54 O ATOM 1019 CB GLU A 54 0.906 0.099 7.097 1.00 0.47 C ATOM 1020 CG GLU A 54 -0.276 -0.247 7.989 1.00 0.56 C ATOM 1021 CD GLU A 54 0.095 -0.346 9.457 1.00 1.15 C ATOM 1022 OE1 GLU A 54 0.331 0.707 10.085 1.00 1.84 O ATOM 1023 OE2 GLU A 54 0.165 -1.474 9.988 1.00 1.46 O ATOM 0 H GLU A 54 0.093 2.243 6.092 1.00 0.33 H new ATOM 0 HA GLU A 54 1.624 1.558 8.481 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.585 0.076 6.056 1.00 0.47 H new ATOM 0 HB3 GLU A 54 1.674 -0.666 7.211 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -1.050 0.511 7.866 1.00 0.56 H new ATOM 0 HG3 GLU A 54 -0.704 -1.195 7.664 1.00 0.56 H new ATOM 1030 N ASN A 55 2.894 2.152 5.543 1.00 0.41 N ATOM 1031 CA ASN A 55 4.117 2.359 4.781 1.00 0.50 C ATOM 1032 C ASN A 55 4.598 3.804 4.913 1.00 0.57 C ATOM 1033 O ASN A 55 5.272 4.150 5.876 1.00 1.17 O ATOM 1034 CB ASN A 55 3.875 2.011 3.305 1.00 0.62 C ATOM 1035 CG ASN A 55 5.115 2.149 2.440 1.00 1.36 C ATOM 1036 OD1 ASN A 55 5.834 1.059 2.261 1.00 1.97 O flip ATOM 1037 ND2 ASN A 55 5.408 3.223 1.914 1.00 1.85 N flip ATOM 0 H ASN A 55 2.050 2.464 5.064 1.00 0.41 H new ATOM 0 HA ASN A 55 4.892 1.705 5.180 1.00 0.50 H new ATOM 0 HB2 ASN A 55 3.506 0.988 3.237 1.00 0.62 H new ATOM 0 HB3 ASN A 55 3.092 2.659 2.911 1.00 0.62 H new ATOM 0 HD21 ASN A 55 4.827 4.046 2.076 1.00 1.85 H new ATOM 0 HD22 ASN A 55 6.232 3.290 1.316 1.00 1.85 H new ATOM 1044 N ASN A 56 4.249 4.627 3.923 1.00 0.67 N ATOM 1045 CA ASN A 56 4.546 6.060 3.918 1.00 0.75 C ATOM 1046 C ASN A 56 6.044 6.339 3.841 1.00 0.99 C ATOM 1047 O ASN A 56 6.472 7.488 3.886 1.00 1.50 O ATOM 1048 CB ASN A 56 3.933 6.726 5.148 1.00 0.71 C ATOM 1049 CG ASN A 56 3.901 8.239 5.042 1.00 0.84 C ATOM 1050 OD1 ASN A 56 3.878 8.799 3.941 1.00 1.28 O ATOM 1051 ND2 ASN A 56 3.886 8.911 6.179 1.00 0.91 N ATOM 0 H ASN A 56 3.746 4.314 3.093 1.00 0.67 H new ATOM 0 HA ASN A 56 4.099 6.487 3.020 1.00 0.75 H new ATOM 0 HB2 ASN A 56 2.918 6.355 5.289 1.00 0.71 H new ATOM 0 HB3 ASN A 56 4.503 6.440 6.032 1.00 0.71 H new ATOM 0 HD21 ASN A 56 3.854 9.930 6.169 1.00 0.91 H new ATOM 0 HD22 ASN A 56 3.906 8.410 7.068 1.00 0.91 H new ATOM 1058 N ARG A 57 6.831 5.292 3.659 1.00 0.90 N ATOM 1059 CA ARG A 57 8.281 5.408 3.668 1.00 1.15 C ATOM 1060 C ARG A 57 8.933 4.086 3.277 1.00 1.21 C ATOM 1061 O ARG A 57 9.639 4.024 2.269 1.00 1.44 O ATOM 1062 CB ARG A 57 8.782 5.886 5.041 1.00 1.31 C ATOM 1063 CG ARG A 57 8.109 5.197 6.220 1.00 1.31 C ATOM 1064 CD ARG A 57 8.431 5.883 7.540 1.00 1.43 C ATOM 1065 NE ARG A 57 8.029 7.291 7.541 1.00 1.97 N ATOM 1066 CZ ARG A 57 6.965 7.763 8.193 1.00 2.54 C ATOM 1067 NH1 ARG A 57 6.165 6.932 8.859 1.00 2.69 N ATOM 1068 NH2 ARG A 57 6.693 9.066 8.167 1.00 3.47 N ATOM 0 H ARG A 57 6.487 4.345 3.502 1.00 0.90 H new ATOM 0 HA ARG A 57 8.567 6.155 2.927 1.00 1.15 H new ATOM 0 HB2 ARG A 57 9.858 5.720 5.102 1.00 1.31 H new ATOM 0 HB3 ARG A 57 8.621 6.961 5.121 1.00 1.31 H new ATOM 0 HG2 ARG A 57 7.030 5.191 6.068 1.00 1.31 H new ATOM 0 HG3 ARG A 57 8.431 4.157 6.264 1.00 1.31 H new ATOM 0 HD2 ARG A 57 7.925 5.361 8.352 1.00 1.43 H new ATOM 0 HD3 ARG A 57 9.501 5.812 7.734 1.00 1.43 H new ATOM 0 HE ARG A 57 8.597 7.951 7.011 1.00 1.97 H new ATOM 0 HH11 ARG A 57 6.365 5.932 8.871 1.00 2.69 H new ATOM 0 HH12 ARG A 57 5.352 7.296 9.357 1.00 2.69 H new ATOM 0 HH21 ARG A 57 7.298 9.703 7.649 1.00 3.47 H new ATOM 0 HH22 ARG A 57 5.880 9.427 8.665 1.00 3.47 H new ATOM 1082 N ALA A 58 8.677 3.029 4.049 1.00 1.14 N ATOM 1083 CA ALA A 58 9.287 1.729 3.771 1.00 1.28 C ATOM 1084 C ALA A 58 8.754 0.633 4.687 1.00 1.15 C ATOM 1085 O ALA A 58 9.438 0.195 5.612 1.00 1.52 O ATOM 1086 CB ALA A 58 10.802 1.807 3.887 1.00 1.91 C ATOM 0 H ALA A 58 8.060 3.046 4.861 1.00 1.14 H new ATOM 0 HA ALA A 58 9.017 1.468 2.748 1.00 1.28 H new ATOM 0 HB1 ALA A 58 11.234 0.829 3.676 1.00 1.91 H new ATOM 0 HB2 ALA A 58 11.185 2.535 3.171 1.00 1.91 H new ATOM 0 HB3 ALA A 58 11.074 2.114 4.897 1.00 1.91 H new ATOM 1092 N ALA A 59 7.521 0.224 4.451 1.00 1.24 N ATOM 1093 CA ALA A 59 6.947 -0.918 5.152 1.00 1.70 C ATOM 1094 C ALA A 59 6.962 -2.161 4.267 1.00 1.52 C ATOM 1095 O ALA A 59 7.109 -2.058 3.047 1.00 1.54 O ATOM 1096 CB ALA A 59 5.533 -0.614 5.596 1.00 2.43 C ATOM 0 H ALA A 59 6.894 0.665 3.778 1.00 1.24 H new ATOM 0 HA ALA A 59 7.557 -1.113 6.034 1.00 1.70 H new ATOM 0 HB1 ALA A 59 5.122 -1.478 6.117 1.00 2.43 H new ATOM 0 HB2 ALA A 59 5.539 0.245 6.267 1.00 2.43 H new ATOM 0 HB3 ALA A 59 4.918 -0.390 4.724 1.00 2.43 H new ATOM 1102 N ALA A 60 6.803 -3.327 4.881 1.00 1.85 N ATOM 1103 CA ALA A 60 6.748 -4.584 4.142 1.00 1.85 C ATOM 1104 C ALA A 60 5.538 -5.411 4.562 1.00 2.49 C ATOM 1105 O ALA A 60 5.584 -6.142 5.554 1.00 3.18 O ATOM 1106 CB ALA A 60 8.033 -5.375 4.339 1.00 2.34 C ATOM 0 H ALA A 60 6.710 -3.429 5.892 1.00 1.85 H new ATOM 0 HA ALA A 60 6.645 -4.351 3.082 1.00 1.85 H new ATOM 0 HB1 ALA A 60 7.974 -6.309 3.781 1.00 2.34 H new ATOM 0 HB2 ALA A 60 8.879 -4.790 3.979 1.00 2.34 H new ATOM 0 HB3 ALA A 60 8.167 -5.593 5.398 1.00 2.34 H new ATOM 1112 N LEU A 61 4.451 -5.280 3.813 1.00 2.99 N ATOM 1113 CA LEU A 61 3.226 -6.019 4.100 1.00 4.03 C ATOM 1114 C LEU A 61 2.902 -6.981 2.964 1.00 4.34 C ATOM 1115 O LEU A 61 3.126 -6.657 1.795 1.00 4.63 O ATOM 1116 CB LEU A 61 2.034 -5.070 4.304 1.00 5.03 C ATOM 1117 CG LEU A 61 2.038 -4.236 5.594 1.00 5.72 C ATOM 1118 CD1 LEU A 61 3.059 -3.113 5.527 1.00 6.55 C ATOM 1119 CD2 LEU A 61 0.652 -3.672 5.861 1.00 6.16 C ATOM 0 H LEU A 61 4.392 -4.667 3.000 1.00 2.99 H new ATOM 0 HA LEU A 61 3.395 -6.578 5.020 1.00 4.03 H new ATOM 0 HB2 LEU A 61 1.992 -4.387 3.456 1.00 5.03 H new ATOM 0 HB3 LEU A 61 1.119 -5.662 4.282 1.00 5.03 H new ATOM 0 HG LEU A 61 2.319 -4.894 6.416 1.00 5.72 H new ATOM 0 HD11 LEU A 61 3.035 -2.543 6.456 1.00 6.55 H new ATOM 0 HD12 LEU A 61 4.054 -3.534 5.385 1.00 6.55 H new ATOM 0 HD13 LEU A 61 2.821 -2.455 4.691 1.00 6.55 H new ATOM 0 HD21 LEU A 61 0.669 -3.083 6.778 1.00 6.16 H new ATOM 0 HD22 LEU A 61 0.351 -3.037 5.028 1.00 6.16 H new ATOM 0 HD23 LEU A 61 -0.059 -4.491 5.969 1.00 6.16 H new ATOM 1131 N SER A 62 2.391 -8.164 3.321 1.00 4.74 N ATOM 1132 CA SER A 62 1.893 -9.150 2.347 1.00 5.35 C ATOM 1133 C SER A 62 2.932 -9.448 1.266 1.00 5.02 C ATOM 1134 O SER A 62 2.602 -9.605 0.090 1.00 5.49 O ATOM 1135 CB SER A 62 0.578 -8.650 1.735 1.00 6.13 C ATOM 1136 OG SER A 62 0.766 -7.518 0.894 1.00 6.82 O ATOM 0 H SER A 62 2.310 -8.468 4.291 1.00 4.74 H new ATOM 0 HA SER A 62 1.705 -10.089 2.868 1.00 5.35 H new ATOM 0 HB2 SER A 62 0.119 -9.454 1.160 1.00 6.13 H new ATOM 0 HB3 SER A 62 -0.117 -8.394 2.534 1.00 6.13 H new ATOM 0 HG SER A 62 1.716 -7.277 0.878 1.00 6.82 H new ATOM 1142 N SER A 63 4.186 -9.546 1.682 1.00 4.58 N ATOM 1143 CA SER A 63 5.280 -9.808 0.766 1.00 4.63 C ATOM 1144 C SER A 63 6.537 -10.135 1.552 1.00 4.13 C ATOM 1145 O SER A 63 7.106 -11.219 1.404 1.00 4.53 O ATOM 1146 CB SER A 63 5.527 -8.594 -0.137 1.00 5.39 C ATOM 1147 OG SER A 63 6.416 -8.909 -1.194 1.00 6.30 O ATOM 0 H SER A 63 4.470 -9.447 2.657 1.00 4.58 H new ATOM 0 HA SER A 63 5.016 -10.658 0.137 1.00 4.63 H new ATOM 0 HB2 SER A 63 4.580 -8.245 -0.548 1.00 5.39 H new ATOM 0 HB3 SER A 63 5.938 -7.776 0.455 1.00 5.39 H new ATOM 0 HG SER A 63 5.910 -9.277 -1.948 1.00 6.30 H new ATOM 1153 N ASP A 64 6.928 -9.198 2.415 1.00 3.70 N ATOM 1154 CA ASP A 64 8.153 -9.307 3.201 1.00 3.78 C ATOM 1155 C ASP A 64 9.366 -9.437 2.298 1.00 3.64 C ATOM 1156 O ASP A 64 9.754 -10.532 1.890 1.00 4.24 O ATOM 1157 CB ASP A 64 8.097 -10.466 4.188 1.00 4.76 C ATOM 1158 CG ASP A 64 9.300 -10.470 5.102 1.00 5.44 C ATOM 1159 OD1 ASP A 64 9.498 -9.483 5.840 1.00 5.89 O ATOM 1160 OD2 ASP A 64 10.035 -11.475 5.098 1.00 5.83 O ATOM 0 H ASP A 64 6.402 -8.341 2.588 1.00 3.70 H new ATOM 0 HA ASP A 64 8.245 -8.388 3.779 1.00 3.78 H new ATOM 0 HB2 ASP A 64 7.186 -10.396 4.783 1.00 4.76 H new ATOM 0 HB3 ASP A 64 8.049 -11.408 3.643 1.00 4.76 H new ATOM 1165 N VAL A 65 9.944 -8.294 1.979 1.00 3.46 N ATOM 1166 CA VAL A 65 11.071 -8.229 1.067 1.00 4.03 C ATOM 1167 C VAL A 65 12.267 -9.003 1.616 1.00 4.57 C ATOM 1168 O VAL A 65 12.726 -9.973 1.013 1.00 5.28 O ATOM 1169 CB VAL A 65 11.489 -6.765 0.816 1.00 4.22 C ATOM 1170 CG1 VAL A 65 12.612 -6.686 -0.207 1.00 5.28 C ATOM 1171 CG2 VAL A 65 10.293 -5.937 0.369 1.00 4.30 C ATOM 0 H VAL A 65 9.647 -7.388 2.343 1.00 3.46 H new ATOM 0 HA VAL A 65 10.755 -8.681 0.127 1.00 4.03 H new ATOM 0 HB VAL A 65 11.861 -6.353 1.754 1.00 4.22 H new ATOM 0 HG11 VAL A 65 12.887 -5.643 -0.365 1.00 5.28 H new ATOM 0 HG12 VAL A 65 13.477 -7.238 0.159 1.00 5.28 H new ATOM 0 HG13 VAL A 65 12.277 -7.120 -1.149 1.00 5.28 H new ATOM 0 HG21 VAL A 65 10.607 -4.908 0.197 1.00 4.30 H new ATOM 0 HG22 VAL A 65 9.888 -6.352 -0.554 1.00 4.30 H new ATOM 0 HG23 VAL A 65 9.526 -5.958 1.143 1.00 4.30 H new ATOM 1181 N ILE A 66 12.760 -8.569 2.768 1.00 4.67 N ATOM 1182 CA ILE A 66 13.936 -9.178 3.372 1.00 5.63 C ATOM 1183 C ILE A 66 13.806 -9.308 4.890 1.00 5.81 C ATOM 1184 O ILE A 66 14.422 -10.186 5.485 1.00 6.55 O ATOM 1185 CB ILE A 66 15.236 -8.405 3.020 1.00 6.56 C ATOM 1186 CG1 ILE A 66 14.969 -6.898 2.838 1.00 6.73 C ATOM 1187 CG2 ILE A 66 15.868 -8.980 1.763 1.00 7.45 C ATOM 1188 CD1 ILE A 66 14.606 -6.163 4.112 1.00 7.56 C ATOM 0 H ILE A 66 12.363 -7.797 3.303 1.00 4.67 H new ATOM 0 HA ILE A 66 14.003 -10.180 2.949 1.00 5.63 H new ATOM 0 HB ILE A 66 15.927 -8.523 3.855 1.00 6.56 H new ATOM 0 HG12 ILE A 66 15.857 -6.435 2.407 1.00 6.73 H new ATOM 0 HG13 ILE A 66 14.161 -6.770 2.118 1.00 6.73 H new ATOM 0 HG21 ILE A 66 16.778 -8.428 1.528 1.00 7.45 H new ATOM 0 HG22 ILE A 66 16.112 -10.030 1.926 1.00 7.45 H new ATOM 0 HG23 ILE A 66 15.168 -8.895 0.932 1.00 7.45 H new ATOM 0 HD11 ILE A 66 14.436 -5.110 3.889 1.00 7.56 H new ATOM 0 HD12 ILE A 66 13.699 -6.595 4.536 1.00 7.56 H new ATOM 0 HD13 ILE A 66 15.421 -6.255 4.830 1.00 7.56 H new ATOM 1200 N SER A 67 12.984 -8.447 5.490 1.00 5.44 N ATOM 1201 CA SER A 67 12.772 -8.422 6.934 1.00 5.98 C ATOM 1202 C SER A 67 14.095 -8.300 7.704 1.00 7.11 C ATOM 1203 O SER A 67 14.589 -7.193 7.925 1.00 7.59 O ATOM 1204 CB SER A 67 11.996 -9.669 7.346 1.00 6.10 C ATOM 1205 OG SER A 67 11.602 -9.623 8.709 1.00 6.60 O ATOM 0 H SER A 67 12.445 -7.745 4.984 1.00 5.44 H new ATOM 0 HA SER A 67 12.189 -7.537 7.189 1.00 5.98 H new ATOM 0 HB2 SER A 67 11.112 -9.771 6.716 1.00 6.10 H new ATOM 0 HB3 SER A 67 12.612 -10.552 7.176 1.00 6.10 H new ATOM 0 HG SER A 67 11.106 -10.438 8.934 1.00 6.60 H new ATOM 1211 N ALA A 68 14.668 -9.432 8.095 1.00 7.74 N ATOM 1212 CA ALA A 68 15.940 -9.451 8.800 1.00 8.91 C ATOM 1213 C ALA A 68 17.083 -9.615 7.817 1.00 9.09 C ATOM 1214 O ALA A 68 17.062 -10.522 6.986 1.00 8.87 O ATOM 1215 CB ALA A 68 15.958 -10.569 9.828 1.00 9.69 C ATOM 0 H ALA A 68 14.266 -10.355 7.933 1.00 7.74 H new ATOM 0 HA ALA A 68 16.064 -8.502 9.321 1.00 8.91 H new ATOM 0 HB1 ALA A 68 16.916 -10.570 10.347 1.00 9.69 H new ATOM 0 HB2 ALA A 68 15.155 -10.414 10.549 1.00 9.69 H new ATOM 0 HB3 ALA A 68 15.816 -11.526 9.327 1.00 9.69 H new ATOM 1221 N LEU A 69 18.066 -8.721 7.921 1.00 9.69 N ATOM 1222 CA LEU A 69 19.245 -8.738 7.057 1.00 10.15 C ATOM 1223 C LEU A 69 18.858 -8.409 5.624 1.00 9.38 C ATOM 1224 O LEU A 69 18.566 -9.291 4.820 1.00 9.52 O ATOM 1225 CB LEU A 69 19.959 -10.088 7.129 1.00 10.80 C ATOM 1226 CG LEU A 69 20.302 -10.544 8.547 1.00 11.70 C ATOM 1227 CD1 LEU A 69 20.929 -11.928 8.526 1.00 12.35 C ATOM 1228 CD2 LEU A 69 21.236 -9.545 9.217 1.00 12.59 C ATOM 0 H LEU A 69 18.067 -7.965 8.606 1.00 9.69 H new ATOM 0 HA LEU A 69 19.937 -7.975 7.412 1.00 10.15 H new ATOM 0 HB2 LEU A 69 19.330 -10.844 6.659 1.00 10.80 H new ATOM 0 HB3 LEU A 69 20.878 -10.031 6.546 1.00 10.80 H new ATOM 0 HG LEU A 69 19.379 -10.594 9.125 1.00 11.70 H new ATOM 0 HD11 LEU A 69 21.166 -12.235 9.544 1.00 12.35 H new ATOM 0 HD12 LEU A 69 20.229 -12.638 8.086 1.00 12.35 H new ATOM 0 HD13 LEU A 69 21.843 -11.905 7.932 1.00 12.35 H new ATOM 0 HD21 LEU A 69 21.470 -9.885 10.226 1.00 12.59 H new ATOM 0 HD22 LEU A 69 22.157 -9.463 8.639 1.00 12.59 H new ATOM 0 HD23 LEU A 69 20.751 -8.570 9.266 1.00 12.59 H new ATOM 1240 N SER A 70 18.867 -7.125 5.314 1.00 8.79 N ATOM 1241 CA SER A 70 18.389 -6.640 4.032 1.00 8.22 C ATOM 1242 C SER A 70 19.364 -6.965 2.906 1.00 8.84 C ATOM 1243 O SER A 70 19.053 -6.778 1.730 1.00 8.93 O ATOM 1244 CB SER A 70 18.159 -5.134 4.115 1.00 8.19 C ATOM 1245 OG SER A 70 17.337 -4.806 5.226 1.00 7.74 O ATOM 0 H SER A 70 19.204 -6.393 5.940 1.00 8.79 H new ATOM 0 HA SER A 70 17.450 -7.145 3.804 1.00 8.22 H new ATOM 0 HB2 SER A 70 19.116 -4.620 4.202 1.00 8.19 H new ATOM 0 HB3 SER A 70 17.691 -4.783 3.195 1.00 8.19 H new ATOM 0 HG SER A 70 17.205 -3.836 5.260 1.00 7.74 H new ATOM 1251 N SER A 71 20.547 -7.430 3.267 1.00 9.47 N ATOM 1252 CA SER A 71 21.513 -7.867 2.281 1.00 10.26 C ATOM 1253 C SER A 71 21.409 -9.371 2.074 1.00 10.85 C ATOM 1254 O SER A 71 21.721 -9.876 0.995 1.00 11.64 O ATOM 1255 CB SER A 71 22.923 -7.488 2.725 1.00 11.01 C ATOM 1256 OG SER A 71 23.182 -7.950 4.039 1.00 11.01 O ATOM 0 H SER A 71 20.859 -7.514 4.234 1.00 9.47 H new ATOM 0 HA SER A 71 21.300 -7.371 1.334 1.00 10.26 H new ATOM 0 HB2 SER A 71 23.652 -7.914 2.036 1.00 11.01 H new ATOM 0 HB3 SER A 71 23.042 -6.405 2.686 1.00 11.01 H new ATOM 0 HG SER A 71 24.092 -7.697 4.301 1.00 11.01 H new ATOM 1262 N GLN A 72 20.934 -10.067 3.116 1.00 10.63 N ATOM 1263 CA GLN A 72 20.863 -11.527 3.128 1.00 11.35 C ATOM 1264 C GLN A 72 22.257 -12.121 2.939 1.00 12.08 C ATOM 1265 O GLN A 72 22.779 -12.161 1.822 1.00 12.07 O ATOM 1266 CB GLN A 72 19.918 -12.032 2.037 1.00 11.11 C ATOM 1267 CG GLN A 72 18.467 -11.604 2.207 1.00 10.22 C ATOM 1268 CD GLN A 72 17.758 -12.387 3.291 1.00 10.42 C ATOM 1269 OE1 GLN A 72 17.232 -13.472 3.042 1.00 10.46 O ATOM 1270 NE2 GLN A 72 17.707 -11.834 4.489 1.00 10.77 N ATOM 0 H GLN A 72 20.590 -9.631 3.971 1.00 10.63 H new ATOM 0 HA GLN A 72 20.471 -11.846 4.094 1.00 11.35 H new ATOM 0 HB2 GLN A 72 20.277 -11.677 1.071 1.00 11.11 H new ATOM 0 HB3 GLN A 72 19.961 -13.121 2.013 1.00 11.11 H new ATOM 0 HG2 GLN A 72 18.430 -10.541 2.447 1.00 10.22 H new ATOM 0 HG3 GLN A 72 17.939 -11.736 1.263 1.00 10.22 H new ATOM 0 HE21 GLN A 72 18.156 -10.933 4.654 1.00 10.77 H new ATOM 0 HE22 GLN A 72 17.219 -12.308 5.249 1.00 10.77 H new ATOM 1279 N LYS A 73 22.856 -12.597 4.025 1.00 12.85 N ATOM 1280 CA LYS A 73 24.254 -13.005 3.988 1.00 13.68 C ATOM 1281 C LYS A 73 24.436 -14.259 3.133 1.00 14.18 C ATOM 1282 O LYS A 73 24.006 -15.360 3.484 1.00 14.47 O ATOM 1283 CB LYS A 73 24.838 -13.190 5.406 1.00 14.41 C ATOM 1284 CG LYS A 73 24.400 -14.441 6.157 1.00 14.85 C ATOM 1285 CD LYS A 73 22.927 -14.426 6.522 1.00 14.25 C ATOM 1286 CE LYS A 73 22.550 -15.668 7.313 1.00 14.52 C ATOM 1287 NZ LYS A 73 21.106 -15.703 7.658 1.00 14.92 N ATOM 0 H LYS A 73 22.401 -12.709 4.931 1.00 12.85 H new ATOM 0 HA LYS A 73 24.819 -12.199 3.519 1.00 13.68 H new ATOM 0 HB2 LYS A 73 25.925 -13.199 5.330 1.00 14.41 H new ATOM 0 HB3 LYS A 73 24.568 -12.320 6.004 1.00 14.41 H new ATOM 0 HG2 LYS A 73 24.608 -15.318 5.544 1.00 14.85 H new ATOM 0 HG3 LYS A 73 24.993 -14.539 7.066 1.00 14.85 H new ATOM 0 HD2 LYS A 73 22.703 -13.535 7.108 1.00 14.25 H new ATOM 0 HD3 LYS A 73 22.324 -14.371 5.615 1.00 14.25 H new ATOM 0 HE2 LYS A 73 22.804 -16.556 6.733 1.00 14.52 H new ATOM 0 HE3 LYS A 73 23.140 -15.706 8.228 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 20.899 -16.568 8.197 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 20.866 -14.871 8.234 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 20.540 -15.695 6.785 1.00 14.92 H new ATOM 1301 N LYS A 74 25.042 -14.061 1.974 1.00 14.42 N ATOM 1302 CA LYS A 74 25.276 -15.138 1.034 1.00 15.05 C ATOM 1303 C LYS A 74 26.768 -15.272 0.765 1.00 16.04 C ATOM 1304 O LYS A 74 27.382 -16.208 1.312 1.00 16.42 O ATOM 1305 CB LYS A 74 24.511 -14.884 -0.268 1.00 14.62 C ATOM 1306 CG LYS A 74 22.999 -14.852 -0.092 1.00 13.81 C ATOM 1307 CD LYS A 74 22.287 -14.484 -1.387 1.00 13.84 C ATOM 1308 CE LYS A 74 22.575 -13.047 -1.801 1.00 13.62 C ATOM 1309 NZ LYS A 74 21.964 -12.057 -0.871 1.00 13.67 N ATOM 1310 OXT LYS A 74 27.322 -14.420 0.037 1.00 16.53 O ATOM 0 H LYS A 74 25.383 -13.152 1.662 1.00 14.42 H new ATOM 0 HA LYS A 74 24.913 -16.072 1.464 1.00 15.05 H new ATOM 0 HB2 LYS A 74 24.839 -13.935 -0.693 1.00 14.62 H new ATOM 0 HB3 LYS A 74 24.768 -15.661 -0.988 1.00 14.62 H new ATOM 0 HG2 LYS A 74 22.652 -15.827 0.249 1.00 13.81 H new ATOM 0 HG3 LYS A 74 22.738 -14.132 0.684 1.00 13.81 H new ATOM 0 HD2 LYS A 74 22.603 -15.161 -2.181 1.00 13.84 H new ATOM 0 HD3 LYS A 74 21.213 -14.618 -1.262 1.00 13.84 H new ATOM 0 HE2 LYS A 74 23.653 -12.891 -1.837 1.00 13.62 H new ATOM 0 HE3 LYS A 74 22.195 -12.878 -2.808 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 22.085 -11.098 -1.256 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 20.950 -12.262 -0.763 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 22.430 -12.119 0.057 1.00 13.67 H new TER 1324 LYS A 74