USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 28 SER OG : rot 142:sc= -3.17 USER MOD Set 1.2: A 29 THR OG1 : rot 108:sc= 0.981 USER MOD Set 2.1: A 1 GLY N :NH3+ -111:sc= -0.166 (180deg=-0.164) USER MOD Set 2.2: A 3 HIS : no HD1:sc= -0.773 K(o=-0.94,f=-2.6) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 152:sc= -1.85 (180deg=-2.94) USER MOD Single : A 18 THR OG1 : rot -129:sc= 0.0643 USER MOD Single : A 27 THR OG1 : rot -96:sc= 1.04 USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 35 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.00033) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00783 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.66 K(o=-4.7,f=-12!) USER MOD Single : A 65 ASN :FLIP amide:sc= 1.05 F(o=-0.34,f=1.1) USER MOD Single : A 68 THR OG1 : rot -86:sc= 1.56! USER MOD Single : A 74 SER OG : rot 180:sc= 0.00239 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 80 HIS : +bothHN:sc= -16.2! C(o=-16!,f=-29!) USER MOD Single : A 82 ASN :FLIP amide:sc= -2.12! C(o=-2.7!,f=-2.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.860 1.006 10.241 1.00 0.00 N ATOM 2 CA GLY A 1 15.375 1.576 9.007 1.00 0.00 C ATOM 3 C GLY A 1 14.897 3.018 8.829 1.00 0.00 C ATOM 4 O GLY A 1 14.545 3.427 7.724 1.00 0.00 O ATOM 0 H1 GLY A 1 15.642 0.868 10.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.157 1.652 10.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.412 0.090 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.465 1.549 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.048 0.973 8.160 1.00 0.00 H new ATOM 8 N SER A 2 14.900 3.750 9.934 1.00 0.00 N ATOM 9 CA SER A 2 14.471 5.138 9.913 1.00 0.00 C ATOM 10 C SER A 2 13.240 5.292 9.017 1.00 0.00 C ATOM 11 O SER A 2 13.350 5.750 7.880 1.00 0.00 O ATOM 12 CB SER A 2 15.596 6.055 9.432 1.00 0.00 C ATOM 13 OG SER A 2 16.884 5.512 9.710 1.00 0.00 O ATOM 0 H SER A 2 15.193 3.408 10.849 1.00 0.00 H new ATOM 0 HA SER A 2 14.211 5.431 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.496 6.219 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.501 7.028 9.914 1.00 0.00 H new ATOM 0 HG SER A 2 17.575 6.127 9.386 1.00 0.00 H new ATOM 19 N HIS A 3 12.098 4.901 9.562 1.00 0.00 N ATOM 20 CA HIS A 3 10.848 4.991 8.826 1.00 0.00 C ATOM 21 C HIS A 3 9.881 5.915 9.567 1.00 0.00 C ATOM 22 O HIS A 3 9.515 6.974 9.059 1.00 0.00 O ATOM 23 CB HIS A 3 10.265 3.599 8.575 1.00 0.00 C ATOM 24 CG HIS A 3 10.292 2.695 9.785 1.00 0.00 C ATOM 25 ND1 HIS A 3 9.176 2.458 10.569 1.00 0.00 N ATOM 26 CD2 HIS A 3 11.310 1.973 10.335 1.00 0.00 C ATOM 27 CE1 HIS A 3 9.519 1.630 11.545 1.00 0.00 C ATOM 28 NE2 HIS A 3 10.842 1.331 11.398 1.00 0.00 N ATOM 0 H HIS A 3 12.012 4.521 10.505 1.00 0.00 H new ATOM 0 HA HIS A 3 11.030 5.427 7.844 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.235 3.704 8.235 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.821 3.124 7.767 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.325 1.931 9.968 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.866 1.257 12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.383 0.715 12.005 1.00 0.00 H new ATOM 36 N MET A 4 9.493 5.481 10.757 1.00 0.00 N ATOM 37 CA MET A 4 8.574 6.256 11.574 1.00 0.00 C ATOM 38 C MET A 4 9.334 7.220 12.488 1.00 0.00 C ATOM 39 O MET A 4 9.252 7.116 13.711 1.00 0.00 O ATOM 40 CB MET A 4 7.723 5.310 12.423 1.00 0.00 C ATOM 41 CG MET A 4 6.708 4.560 11.559 1.00 0.00 C ATOM 42 SD MET A 4 5.048 4.972 12.070 1.00 0.00 S ATOM 43 CE MET A 4 5.037 6.720 11.708 1.00 0.00 C ATOM 0 H MET A 4 9.798 4.602 11.175 1.00 0.00 H new ATOM 0 HA MET A 4 7.933 6.840 10.913 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.368 4.596 12.935 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.201 5.877 13.193 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.849 4.819 10.510 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.868 3.485 11.646 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.019 7.039 11.485 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.410 7.273 12.570 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.676 6.917 10.847 1.00 0.00 H new ATOM 53 N LEU A 5 10.055 8.137 11.860 1.00 0.00 N ATOM 54 CA LEU A 5 10.828 9.118 12.601 1.00 0.00 C ATOM 55 C LEU A 5 9.959 10.349 12.869 1.00 0.00 C ATOM 56 O LEU A 5 8.834 10.225 13.350 1.00 0.00 O ATOM 57 CB LEU A 5 12.134 9.436 11.869 1.00 0.00 C ATOM 58 CG LEU A 5 11.990 10.055 10.478 1.00 0.00 C ATOM 59 CD1 LEU A 5 12.894 11.279 10.326 1.00 0.00 C ATOM 60 CD2 LEU A 5 12.246 9.014 9.386 1.00 0.00 C ATOM 0 H LEU A 5 10.120 8.221 10.846 1.00 0.00 H new ATOM 0 HA LEU A 5 11.122 8.717 13.571 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.718 10.116 12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.709 8.515 11.777 1.00 0.00 H new ATOM 0 HG LEU A 5 10.962 10.398 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.772 11.700 9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.622 12.027 11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 5 13.933 10.984 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 5 12.137 9.480 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 5 13.257 8.619 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.527 8.201 9.483 1.00 0.00 H new ATOM 72 N ARG A 6 10.514 11.508 12.546 1.00 0.00 N ATOM 73 CA ARG A 6 9.803 12.759 12.746 1.00 0.00 C ATOM 74 C ARG A 6 8.957 13.092 11.516 1.00 0.00 C ATOM 75 O ARG A 6 8.531 14.232 11.341 1.00 0.00 O ATOM 76 CB ARG A 6 10.777 13.909 13.013 1.00 0.00 C ATOM 77 CG ARG A 6 10.538 14.520 14.395 1.00 0.00 C ATOM 78 CD ARG A 6 9.924 15.917 14.278 1.00 0.00 C ATOM 79 NE ARG A 6 9.000 16.159 15.409 1.00 0.00 N ATOM 80 CZ ARG A 6 9.397 16.316 16.690 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.706 16.257 17.014 1.00 0.00 N ATOM 82 NH2 ARG A 6 8.485 16.529 17.620 1.00 0.00 N ATOM 0 H ARG A 6 11.448 11.607 12.147 1.00 0.00 H new ATOM 0 HA ARG A 6 9.155 12.637 13.614 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.802 13.545 12.945 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.659 14.676 12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.876 13.875 14.972 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.481 14.578 14.939 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.712 16.670 14.273 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.388 16.010 13.333 1.00 0.00 H new ATOM 0 HE ARG A 6 8.001 16.210 15.208 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.404 16.093 16.289 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.997 16.377 17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.498 16.573 17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.767 16.650 18.593 1.00 0.00 H new ATOM 95 N ASP A 7 8.739 12.075 10.695 1.00 0.00 N ATOM 96 CA ASP A 7 7.951 12.245 9.486 1.00 0.00 C ATOM 97 C ASP A 7 6.471 12.040 9.814 1.00 0.00 C ATOM 98 O ASP A 7 5.600 12.402 9.023 1.00 0.00 O ATOM 99 CB ASP A 7 8.346 11.219 8.422 1.00 0.00 C ATOM 100 CG ASP A 7 7.764 9.819 8.627 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.484 9.095 7.659 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.596 9.473 9.858 1.00 0.00 O ATOM 0 H ASP A 7 9.094 11.130 10.843 1.00 0.00 H new ATOM 0 HA ASP A 7 8.133 13.249 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.029 11.589 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.433 11.144 8.397 1.00 0.00 H new ATOM 108 N ARG A 8 6.231 11.461 10.981 1.00 0.00 N ATOM 109 CA ARG A 8 4.871 11.204 11.423 1.00 0.00 C ATOM 110 C ARG A 8 4.264 12.468 12.035 1.00 0.00 C ATOM 111 O ARG A 8 3.168 12.881 11.657 1.00 0.00 O ATOM 112 CB ARG A 8 4.831 10.076 12.457 1.00 0.00 C ATOM 113 CG ARG A 8 3.391 9.747 12.854 1.00 0.00 C ATOM 114 CD ARG A 8 3.267 9.574 14.370 1.00 0.00 C ATOM 115 NE ARG A 8 2.492 8.351 14.677 1.00 0.00 N ATOM 116 CZ ARG A 8 2.373 7.821 15.913 1.00 0.00 C ATOM 117 NH1 ARG A 8 2.979 8.404 16.970 1.00 0.00 N ATOM 118 NH2 ARG A 8 1.656 6.725 16.073 1.00 0.00 N ATOM 0 H ARG A 8 6.955 11.162 11.634 1.00 0.00 H new ATOM 0 HA ARG A 8 4.291 10.903 10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.312 9.187 12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.398 10.368 13.341 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.727 10.544 12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.071 8.834 12.353 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.258 9.509 14.819 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.776 10.445 14.805 1.00 0.00 H new ATOM 0 HE ARG A 8 2.018 7.879 13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.532 9.251 16.838 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.884 7.997 17.901 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.202 6.291 15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.556 6.312 17.000 1.00 0.00 H new ATOM 131 N LEU A 9 5.002 13.048 12.970 1.00 0.00 N ATOM 132 CA LEU A 9 4.550 14.257 13.638 1.00 0.00 C ATOM 133 C LEU A 9 4.471 15.397 12.621 1.00 0.00 C ATOM 134 O LEU A 9 3.822 16.412 12.870 1.00 0.00 O ATOM 135 CB LEU A 9 5.440 14.568 14.843 1.00 0.00 C ATOM 136 CG LEU A 9 5.686 13.409 15.812 1.00 0.00 C ATOM 137 CD1 LEU A 9 4.434 12.543 15.960 1.00 0.00 C ATOM 138 CD2 LEU A 9 6.904 12.588 15.386 1.00 0.00 C ATOM 0 H LEU A 9 5.910 12.703 13.281 1.00 0.00 H new ATOM 0 HA LEU A 9 3.546 14.118 14.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.404 14.920 14.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.991 15.391 15.399 1.00 0.00 H new ATOM 0 HG LEU A 9 5.907 13.826 16.795 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.636 11.727 16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.614 13.151 16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.158 12.133 14.988 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.057 11.771 16.091 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.737 12.180 14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.787 13.227 15.374 1.00 0.00 H new ATOM 150 N ALA A 10 5.142 15.192 11.497 1.00 0.00 N ATOM 151 CA ALA A 10 5.157 16.191 10.442 1.00 0.00 C ATOM 152 C ALA A 10 3.764 16.286 9.817 1.00 0.00 C ATOM 153 O ALA A 10 3.596 16.033 8.625 1.00 0.00 O ATOM 154 CB ALA A 10 6.233 15.833 9.415 1.00 0.00 C ATOM 0 H ALA A 10 5.679 14.349 11.294 1.00 0.00 H new ATOM 0 HA ALA A 10 5.406 17.172 10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.244 16.582 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.207 15.806 9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.015 14.855 8.986 1.00 0.00 H new ATOM 160 N GLY A 11 2.800 16.651 10.650 1.00 0.00 N ATOM 161 CA GLY A 11 1.427 16.783 10.193 1.00 0.00 C ATOM 162 C GLY A 11 0.995 15.554 9.391 1.00 0.00 C ATOM 163 O GLY A 11 0.048 15.620 8.609 1.00 0.00 O ATOM 0 H GLY A 11 2.943 16.859 11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.766 16.913 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.330 17.677 9.576 1.00 0.00 H new ATOM 167 N LEU A 12 1.711 14.461 9.613 1.00 0.00 N ATOM 168 CA LEU A 12 1.414 13.219 8.921 1.00 0.00 C ATOM 169 C LEU A 12 1.093 13.520 7.455 1.00 0.00 C ATOM 170 O LEU A 12 -0.062 13.755 7.105 1.00 0.00 O ATOM 171 CB LEU A 12 0.307 12.452 9.647 1.00 0.00 C ATOM 172 CG LEU A 12 0.726 11.713 10.919 1.00 0.00 C ATOM 173 CD1 LEU A 12 0.634 12.630 12.141 1.00 0.00 C ATOM 174 CD2 LEU A 12 -0.088 10.431 11.103 1.00 0.00 C ATOM 0 H LEU A 12 2.496 14.410 10.262 1.00 0.00 H new ATOM 0 HA LEU A 12 2.284 12.562 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.486 13.154 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.120 11.727 8.954 1.00 0.00 H new ATOM 0 HG LEU A 12 1.770 11.419 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.937 12.080 13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.292 13.488 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.393 12.976 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.230 9.926 12.015 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.147 10.680 11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.071 9.773 10.249 1.00 0.00 H new ATOM 186 N PRO A 13 2.164 13.504 6.617 1.00 0.00 N ATOM 187 CA PRO A 13 2.008 13.773 5.198 1.00 0.00 C ATOM 188 C PRO A 13 1.383 12.576 4.478 1.00 0.00 C ATOM 189 O PRO A 13 1.311 11.482 5.035 1.00 0.00 O ATOM 190 CB PRO A 13 3.408 14.099 4.703 1.00 0.00 C ATOM 191 CG PRO A 13 4.359 13.549 5.753 1.00 0.00 C ATOM 192 CD PRO A 13 3.547 13.230 6.997 1.00 0.00 C ATOM 0 HA PRO A 13 1.327 14.600 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.594 13.644 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.539 15.174 4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.859 12.654 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.137 14.277 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.676 12.191 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.856 13.847 7.841 1.00 0.00 H new ATOM 200 N ARG A 14 0.947 12.825 3.252 1.00 0.00 N ATOM 201 CA ARG A 14 0.330 11.782 2.451 1.00 0.00 C ATOM 202 C ARG A 14 1.086 10.463 2.624 1.00 0.00 C ATOM 203 O ARG A 14 0.475 9.418 2.843 1.00 0.00 O ATOM 204 CB ARG A 14 0.315 12.162 0.969 1.00 0.00 C ATOM 205 CG ARG A 14 -0.846 11.483 0.241 1.00 0.00 C ATOM 206 CD ARG A 14 -0.706 11.634 -1.276 1.00 0.00 C ATOM 207 NE ARG A 14 -1.277 12.929 -1.709 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.097 13.462 -2.937 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.360 12.815 -3.864 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.653 14.626 -3.217 1.00 0.00 N ATOM 0 H ARG A 14 1.009 13.734 2.794 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.698 11.664 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.229 13.244 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.258 11.872 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.876 10.426 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.790 11.919 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.345 11.577 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.218 10.814 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.841 13.451 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.066 11.916 -3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.229 13.225 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.209 15.109 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.527 15.043 -4.139 1.00 0.00 H new ATOM 223 N ALA A 15 2.404 10.555 2.520 1.00 0.00 N ATOM 224 CA ALA A 15 3.249 9.382 2.662 1.00 0.00 C ATOM 225 C ALA A 15 2.831 8.606 3.913 1.00 0.00 C ATOM 226 O ALA A 15 2.567 7.406 3.844 1.00 0.00 O ATOM 227 CB ALA A 15 4.717 9.812 2.708 1.00 0.00 C ATOM 0 H ALA A 15 2.907 11.424 2.339 1.00 0.00 H new ATOM 0 HA ALA A 15 3.130 8.718 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.351 8.932 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.972 10.334 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.875 10.478 3.557 1.00 0.00 H new ATOM 233 N GLU A 16 2.782 9.322 5.026 1.00 0.00 N ATOM 234 CA GLU A 16 2.400 8.715 6.290 1.00 0.00 C ATOM 235 C GLU A 16 0.953 8.224 6.227 1.00 0.00 C ATOM 236 O GLU A 16 0.623 7.179 6.786 1.00 0.00 O ATOM 237 CB GLU A 16 2.597 9.694 7.450 1.00 0.00 C ATOM 238 CG GLU A 16 4.038 9.652 7.964 1.00 0.00 C ATOM 239 CD GLU A 16 5.032 9.579 6.803 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.279 8.489 6.266 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.555 10.707 6.462 1.00 0.00 O ATOM 0 H GLU A 16 3.000 10.317 5.079 1.00 0.00 H new ATOM 0 HA GLU A 16 3.047 7.856 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.353 10.705 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.911 9.447 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.240 10.539 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.170 8.788 8.616 1.00 0.00 H new ATOM 249 N ARG A 17 0.127 9.000 5.541 1.00 0.00 N ATOM 250 CA ARG A 17 -1.277 8.657 5.397 1.00 0.00 C ATOM 251 C ARG A 17 -1.424 7.299 4.707 1.00 0.00 C ATOM 252 O ARG A 17 -2.107 6.412 5.215 1.00 0.00 O ATOM 253 CB ARG A 17 -2.023 9.718 4.585 1.00 0.00 C ATOM 254 CG ARG A 17 -3.511 9.378 4.475 1.00 0.00 C ATOM 255 CD ARG A 17 -4.209 9.530 5.829 1.00 0.00 C ATOM 256 NE ARG A 17 -4.297 10.961 6.195 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.225 11.812 5.707 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.153 11.381 4.827 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.210 13.071 6.103 1.00 0.00 N ATOM 0 H ARG A 17 0.404 9.866 5.078 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.711 8.609 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.903 10.693 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.588 9.791 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.984 10.032 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.629 8.356 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.208 9.096 5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.658 8.983 6.595 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.614 11.328 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.157 10.406 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.851 12.030 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.505 13.388 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.904 13.727 5.744 1.00 0.00 H new ATOM 272 N THR A 18 -0.772 7.181 3.560 1.00 0.00 N ATOM 273 CA THR A 18 -0.821 5.946 2.796 1.00 0.00 C ATOM 274 C THR A 18 -0.183 4.803 3.587 1.00 0.00 C ATOM 275 O THR A 18 -0.741 3.709 3.664 1.00 0.00 O ATOM 276 CB THR A 18 -0.149 6.199 1.445 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.027 7.107 0.785 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.152 4.960 0.548 1.00 0.00 C ATOM 0 H THR A 18 -0.207 7.920 3.141 1.00 0.00 H new ATOM 0 HA THR A 18 -1.850 5.636 2.611 1.00 0.00 H new ATOM 0 HB THR A 18 0.878 6.527 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.235 6.768 -0.111 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.337 5.194 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.385 4.151 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.180 4.651 0.358 1.00 0.00 H new ATOM 286 N ALA A 19 0.977 5.095 4.155 1.00 0.00 N ATOM 287 CA ALA A 19 1.697 4.104 4.938 1.00 0.00 C ATOM 288 C ALA A 19 0.896 3.777 6.200 1.00 0.00 C ATOM 289 O ALA A 19 1.023 2.687 6.755 1.00 0.00 O ATOM 290 CB ALA A 19 3.100 4.627 5.257 1.00 0.00 C ATOM 0 H ALA A 19 1.437 6.003 4.089 1.00 0.00 H new ATOM 0 HA ALA A 19 1.814 3.179 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.640 3.884 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.638 4.816 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.022 5.553 5.826 1.00 0.00 H new ATOM 296 N GLU A 20 0.089 4.742 6.616 1.00 0.00 N ATOM 297 CA GLU A 20 -0.732 4.570 7.803 1.00 0.00 C ATOM 298 C GLU A 20 -1.934 3.675 7.491 1.00 0.00 C ATOM 299 O GLU A 20 -2.193 2.708 8.205 1.00 0.00 O ATOM 300 CB GLU A 20 -1.185 5.923 8.357 1.00 0.00 C ATOM 301 CG GLU A 20 -2.193 5.740 9.493 1.00 0.00 C ATOM 302 CD GLU A 20 -2.361 7.035 10.290 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.365 7.617 10.744 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.580 7.435 10.430 1.00 0.00 O ATOM 0 H GLU A 20 -0.014 5.645 6.153 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.130 4.083 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.321 6.480 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.634 6.515 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.156 5.433 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.859 4.942 10.156 1.00 0.00 H new ATOM 312 N LEU A 21 -2.635 4.031 6.425 1.00 0.00 N ATOM 313 CA LEU A 21 -3.803 3.272 6.010 1.00 0.00 C ATOM 314 C LEU A 21 -3.388 1.831 5.707 1.00 0.00 C ATOM 315 O LEU A 21 -4.087 0.889 6.078 1.00 0.00 O ATOM 316 CB LEU A 21 -4.507 3.967 4.843 1.00 0.00 C ATOM 317 CG LEU A 21 -5.877 4.574 5.152 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.852 6.095 4.992 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.969 3.926 4.298 1.00 0.00 C ATOM 0 H LEU A 21 -2.417 4.835 5.836 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.536 3.231 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.856 4.759 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.625 3.246 4.034 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.116 4.364 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.838 6.501 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.119 6.521 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.581 6.349 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.933 4.376 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.747 4.084 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.006 2.856 4.505 1.00 0.00 H new ATOM 331 N VAL A 22 -2.252 1.704 5.036 1.00 0.00 N ATOM 332 CA VAL A 22 -1.736 0.394 4.679 1.00 0.00 C ATOM 333 C VAL A 22 -1.720 -0.499 5.922 1.00 0.00 C ATOM 334 O VAL A 22 -2.454 -1.484 5.992 1.00 0.00 O ATOM 335 CB VAL A 22 -0.360 0.533 4.026 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.418 -0.782 4.099 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.486 1.017 2.580 1.00 0.00 C ATOM 0 H VAL A 22 -1.675 2.487 4.730 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.383 -0.083 3.943 1.00 0.00 H new ATOM 0 HB VAL A 22 0.201 1.284 4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.392 -0.655 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.554 -1.067 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.137 -1.563 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.507 1.107 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.074 0.301 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.980 1.988 2.563 1.00 0.00 H new ATOM 347 N ARG A 23 -0.876 -0.123 6.871 1.00 0.00 N ATOM 348 CA ARG A 23 -0.755 -0.877 8.107 1.00 0.00 C ATOM 349 C ARG A 23 -2.139 -1.145 8.703 1.00 0.00 C ATOM 350 O ARG A 23 -2.359 -2.180 9.330 1.00 0.00 O ATOM 351 CB ARG A 23 0.097 -0.124 9.131 1.00 0.00 C ATOM 352 CG ARG A 23 0.690 -1.085 10.163 1.00 0.00 C ATOM 353 CD ARG A 23 1.843 -0.428 10.924 1.00 0.00 C ATOM 354 NE ARG A 23 1.861 -0.903 12.325 1.00 0.00 N ATOM 355 CZ ARG A 23 2.502 -2.017 12.738 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.185 -2.781 11.859 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.452 -2.349 14.015 1.00 0.00 N ATOM 0 H ARG A 23 -0.269 0.694 6.809 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.267 -1.823 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.900 0.408 8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.512 0.626 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.085 -1.394 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.046 -1.986 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.790 -0.664 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.734 0.656 10.900 1.00 0.00 H new ATOM 0 HE ARG A 23 1.358 -0.355 13.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.220 -2.518 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.666 -3.621 12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.934 -1.767 14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.931 -3.188 14.343 1.00 0.00 H new ATOM 370 N LEU A 24 -3.035 -0.194 8.486 1.00 0.00 N ATOM 371 CA LEU A 24 -4.391 -0.314 8.994 1.00 0.00 C ATOM 372 C LEU A 24 -5.133 -1.396 8.206 1.00 0.00 C ATOM 373 O LEU A 24 -5.630 -2.360 8.785 1.00 0.00 O ATOM 374 CB LEU A 24 -5.092 1.046 8.979 1.00 0.00 C ATOM 375 CG LEU A 24 -5.966 1.364 10.194 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.404 2.829 10.186 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.158 0.409 10.276 1.00 0.00 C ATOM 0 H LEU A 24 -2.849 0.663 7.965 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.379 -0.630 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.333 1.823 8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.713 1.103 8.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.369 1.212 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.024 3.028 11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.524 3.472 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.977 3.033 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.763 0.656 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.764 0.505 9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.798 -0.616 10.363 1.00 0.00 H new ATOM 389 N VAL A 25 -5.183 -1.200 6.896 1.00 0.00 N ATOM 390 CA VAL A 25 -5.855 -2.146 6.023 1.00 0.00 C ATOM 391 C VAL A 25 -5.382 -3.563 6.353 1.00 0.00 C ATOM 392 O VAL A 25 -6.167 -4.509 6.314 1.00 0.00 O ATOM 393 CB VAL A 25 -5.622 -1.764 4.559 1.00 0.00 C ATOM 394 CG1 VAL A 25 -6.314 -2.753 3.618 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.085 -0.332 4.287 1.00 0.00 C ATOM 0 H VAL A 25 -4.769 -0.399 6.419 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.932 -2.117 6.186 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.550 -1.812 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.133 -2.459 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.916 -3.754 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.386 -2.751 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.909 -0.085 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.149 -0.246 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.528 0.357 4.921 1.00 0.00 H new ATOM 405 N ARG A 26 -4.100 -3.665 6.671 1.00 0.00 N ATOM 406 CA ARG A 26 -3.512 -4.951 7.008 1.00 0.00 C ATOM 407 C ARG A 26 -4.158 -5.513 8.277 1.00 0.00 C ATOM 408 O ARG A 26 -4.986 -6.420 8.207 1.00 0.00 O ATOM 409 CB ARG A 26 -2.003 -4.827 7.224 1.00 0.00 C ATOM 410 CG ARG A 26 -1.288 -4.484 5.916 1.00 0.00 C ATOM 411 CD ARG A 26 -0.333 -5.605 5.502 1.00 0.00 C ATOM 412 NE ARG A 26 -0.866 -6.312 4.316 1.00 0.00 N ATOM 413 CZ ARG A 26 -1.807 -7.280 4.371 1.00 0.00 C ATOM 414 NH1 ARG A 26 -2.326 -7.664 5.556 1.00 0.00 N ATOM 415 NH2 ARG A 26 -2.210 -7.844 3.248 1.00 0.00 N ATOM 0 H ARG A 26 -3.452 -2.878 6.703 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.693 -5.628 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.801 -4.055 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.611 -5.763 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.023 -4.318 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.733 -3.554 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.650 -5.192 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.204 -6.307 6.326 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.500 -6.052 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.008 -7.223 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.036 -8.396 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.812 -7.548 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.920 -8.576 3.271 1.00 0.00 H new ATOM 428 N THR A 27 -3.754 -4.951 9.407 1.00 0.00 N ATOM 429 CA THR A 27 -4.283 -5.385 10.689 1.00 0.00 C ATOM 430 C THR A 27 -5.804 -5.532 10.616 1.00 0.00 C ATOM 431 O THR A 27 -6.357 -6.530 11.074 1.00 0.00 O ATOM 432 CB THR A 27 -3.818 -4.389 11.753 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.867 -3.127 11.093 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.341 -4.564 12.114 1.00 0.00 C ATOM 0 H THR A 27 -3.067 -4.199 9.461 1.00 0.00 H new ATOM 0 HA THR A 27 -3.906 -6.371 10.960 1.00 0.00 H new ATOM 0 HB THR A 27 -4.427 -4.506 12.650 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.977 -2.903 10.748 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.063 -3.833 12.873 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.178 -5.570 12.502 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.729 -4.415 11.225 1.00 0.00 H new ATOM 442 N SER A 28 -6.437 -4.521 10.038 1.00 0.00 N ATOM 443 CA SER A 28 -7.883 -4.525 9.900 1.00 0.00 C ATOM 444 C SER A 28 -8.345 -5.838 9.266 1.00 0.00 C ATOM 445 O SER A 28 -9.274 -6.477 9.758 1.00 0.00 O ATOM 446 CB SER A 28 -8.360 -3.335 9.064 1.00 0.00 C ATOM 447 OG SER A 28 -7.843 -3.374 7.737 1.00 0.00 O ATOM 0 H SER A 28 -5.975 -3.694 9.660 1.00 0.00 H new ATOM 0 HA SER A 28 -8.321 -4.435 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.449 -3.330 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.053 -2.407 9.546 1.00 0.00 H new ATOM 0 HG SER A 28 -8.529 -3.065 7.109 1.00 0.00 H new ATOM 453 N THR A 29 -7.675 -6.203 8.182 1.00 0.00 N ATOM 454 CA THR A 29 -8.004 -7.429 7.475 1.00 0.00 C ATOM 455 C THR A 29 -7.781 -8.643 8.379 1.00 0.00 C ATOM 456 O THR A 29 -8.730 -9.336 8.740 1.00 0.00 O ATOM 457 CB THR A 29 -7.179 -7.469 6.188 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.557 -6.283 5.495 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.608 -8.601 5.252 1.00 0.00 C ATOM 0 H THR A 29 -6.905 -5.671 7.776 1.00 0.00 H new ATOM 0 HA THR A 29 -9.059 -7.457 7.202 1.00 0.00 H new ATOM 0 HB THR A 29 -6.124 -7.585 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.821 -5.637 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.991 -8.584 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.485 -9.558 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.654 -8.468 4.976 1.00 0.00 H new ATOM 467 N ALA A 30 -6.519 -8.862 8.720 1.00 0.00 N ATOM 468 CA ALA A 30 -6.158 -9.980 9.575 1.00 0.00 C ATOM 469 C ALA A 30 -7.024 -9.952 10.836 1.00 0.00 C ATOM 470 O ALA A 30 -7.250 -10.987 11.461 1.00 0.00 O ATOM 471 CB ALA A 30 -4.663 -9.918 9.892 1.00 0.00 C ATOM 0 H ALA A 30 -5.734 -8.284 8.420 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.344 -10.927 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.392 -10.757 10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.092 -9.971 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.438 -8.982 10.404 1.00 0.00 H new ATOM 477 N THR A 31 -7.485 -8.757 11.172 1.00 0.00 N ATOM 478 CA THR A 31 -8.321 -8.580 12.348 1.00 0.00 C ATOM 479 C THR A 31 -9.710 -9.173 12.108 1.00 0.00 C ATOM 480 O THR A 31 -10.337 -9.689 13.031 1.00 0.00 O ATOM 481 CB THR A 31 -8.347 -7.089 12.690 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.135 -6.877 13.409 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.444 -6.739 13.697 1.00 0.00 C ATOM 0 H THR A 31 -7.296 -7.901 10.651 1.00 0.00 H new ATOM 0 HA THR A 31 -7.916 -9.117 13.206 1.00 0.00 H new ATOM 0 HB THR A 31 -8.493 -6.510 11.778 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.389 -6.799 12.778 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.419 -5.669 13.905 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.416 -7.005 13.283 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.279 -7.293 14.621 1.00 0.00 H new ATOM 491 N VAL A 32 -10.152 -9.079 10.862 1.00 0.00 N ATOM 492 CA VAL A 32 -11.456 -9.599 10.488 1.00 0.00 C ATOM 493 C VAL A 32 -11.476 -11.114 10.701 1.00 0.00 C ATOM 494 O VAL A 32 -12.524 -11.691 10.985 1.00 0.00 O ATOM 495 CB VAL A 32 -11.789 -9.193 9.051 1.00 0.00 C ATOM 496 CG1 VAL A 32 -11.499 -10.337 8.077 1.00 0.00 C ATOM 497 CG2 VAL A 32 -13.243 -8.731 8.936 1.00 0.00 C ATOM 0 H VAL A 32 -9.629 -8.650 10.098 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.234 -9.171 11.121 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.148 -8.354 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.744 -10.022 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.443 -10.601 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.103 -11.204 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.454 -8.448 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.907 -9.543 9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.405 -7.873 9.588 1.00 0.00 H new ATOM 507 N LEU A 33 -10.304 -11.716 10.556 1.00 0.00 N ATOM 508 CA LEU A 33 -10.173 -13.152 10.729 1.00 0.00 C ATOM 509 C LEU A 33 -10.338 -13.501 12.210 1.00 0.00 C ATOM 510 O LEU A 33 -10.741 -14.612 12.549 1.00 0.00 O ATOM 511 CB LEU A 33 -8.859 -13.648 10.123 1.00 0.00 C ATOM 512 CG LEU A 33 -8.854 -13.854 8.607 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.119 -14.582 8.149 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.661 -12.524 7.874 1.00 0.00 C ATOM 0 H LEU A 33 -9.436 -11.234 10.320 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.963 -13.674 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.074 -12.935 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.597 -14.593 10.599 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.006 -14.489 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.090 -14.716 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.174 -15.557 8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.996 -13.993 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.661 -12.698 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.474 -11.845 8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.710 -12.080 8.170 1.00 0.00 H new ATOM 526 N GLY A 34 -10.018 -12.529 13.052 1.00 0.00 N ATOM 527 CA GLY A 34 -10.126 -12.719 14.489 1.00 0.00 C ATOM 528 C GLY A 34 -8.750 -12.958 15.114 1.00 0.00 C ATOM 529 O GLY A 34 -8.638 -13.635 16.135 1.00 0.00 O ATOM 0 H GLY A 34 -9.684 -11.608 12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.588 -11.842 14.942 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.778 -13.567 14.700 1.00 0.00 H new ATOM 533 N HIS A 35 -7.738 -12.389 14.476 1.00 0.00 N ATOM 534 CA HIS A 35 -6.375 -12.532 14.958 1.00 0.00 C ATOM 535 C HIS A 35 -5.658 -11.182 14.878 1.00 0.00 C ATOM 536 O HIS A 35 -5.976 -10.356 14.024 1.00 0.00 O ATOM 537 CB HIS A 35 -5.642 -13.638 14.195 1.00 0.00 C ATOM 538 CG HIS A 35 -5.594 -14.959 14.926 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.262 -16.086 14.481 1.00 0.00 N ATOM 540 CD2 HIS A 35 -4.950 -15.320 16.073 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.024 -17.075 15.330 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.212 -16.598 16.316 1.00 0.00 N ATOM 0 H HIS A 35 -7.835 -11.828 13.630 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.386 -12.838 16.004 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.129 -13.785 13.231 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.623 -13.310 13.990 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.332 -14.675 16.680 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.406 -18.082 15.254 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.863 -17.135 17.110 1.00 0.00 H new ATOM 550 N ASP A 36 -4.705 -11.000 15.780 1.00 0.00 N ATOM 551 CA ASP A 36 -3.941 -9.765 15.822 1.00 0.00 C ATOM 552 C ASP A 36 -2.447 -10.093 15.768 1.00 0.00 C ATOM 553 O ASP A 36 -1.687 -9.688 16.647 1.00 0.00 O ATOM 554 CB ASP A 36 -4.209 -8.995 17.116 1.00 0.00 C ATOM 555 CG ASP A 36 -5.599 -8.362 17.215 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.619 -9.064 17.262 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.609 -7.072 17.244 1.00 0.00 O ATOM 0 H ASP A 36 -4.444 -11.687 16.487 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.241 -9.154 14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.074 -9.673 17.959 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.460 -8.209 17.215 1.00 0.00 H new ATOM 563 N ASP A 37 -2.071 -10.822 14.728 1.00 0.00 N ATOM 564 CA ASP A 37 -0.681 -11.208 14.548 1.00 0.00 C ATOM 565 C ASP A 37 -0.261 -10.926 13.104 1.00 0.00 C ATOM 566 O ASP A 37 -0.297 -11.819 12.258 1.00 0.00 O ATOM 567 CB ASP A 37 -0.486 -12.702 14.815 1.00 0.00 C ATOM 568 CG ASP A 37 -1.388 -13.288 15.903 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.078 -13.209 17.101 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.465 -13.852 15.472 1.00 0.00 O ATOM 0 H ASP A 37 -2.704 -11.156 14.001 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.077 -10.634 15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.660 -13.247 13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.553 -12.873 15.095 1.00 0.00 H new ATOM 576 N PRO A 38 0.138 -9.649 12.860 1.00 0.00 N ATOM 577 CA PRO A 38 0.565 -9.239 11.533 1.00 0.00 C ATOM 578 C PRO A 38 1.963 -9.773 11.217 1.00 0.00 C ATOM 579 O PRO A 38 2.342 -9.882 10.052 1.00 0.00 O ATOM 580 CB PRO A 38 0.499 -7.721 11.550 1.00 0.00 C ATOM 581 CG PRO A 38 0.487 -7.321 13.017 1.00 0.00 C ATOM 582 CD PRO A 38 0.193 -8.566 13.837 1.00 0.00 C ATOM 0 HA PRO A 38 -0.069 -9.643 10.744 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.355 -7.287 11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.395 -7.363 11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.448 -6.893 13.304 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.269 -6.557 13.198 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.970 -8.743 14.581 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.749 -8.471 14.377 1.00 0.00 H new ATOM 590 N LYS A 39 2.692 -10.093 12.276 1.00 0.00 N ATOM 591 CA LYS A 39 4.041 -10.613 12.126 1.00 0.00 C ATOM 592 C LYS A 39 4.064 -11.641 10.993 1.00 0.00 C ATOM 593 O LYS A 39 5.062 -11.768 10.285 1.00 0.00 O ATOM 594 CB LYS A 39 4.556 -11.158 13.460 1.00 0.00 C ATOM 595 CG LYS A 39 5.430 -10.124 14.174 1.00 0.00 C ATOM 596 CD LYS A 39 5.931 -10.663 15.516 1.00 0.00 C ATOM 597 CE LYS A 39 5.430 -9.798 16.674 1.00 0.00 C ATOM 598 NZ LYS A 39 4.951 -10.649 17.786 1.00 0.00 N ATOM 0 H LYS A 39 2.374 -10.002 13.241 1.00 0.00 H new ATOM 0 HA LYS A 39 4.728 -9.814 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.713 -11.429 14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.130 -12.068 13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.279 -9.863 13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.859 -9.209 14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.590 -11.690 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.021 -10.686 15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.232 -9.149 17.024 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.623 -9.151 16.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.614 -10.047 18.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.171 -11.251 17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.730 -11.249 18.125 1.00 0.00 H new ATOM 611 N ALA A 40 2.952 -12.347 10.855 1.00 0.00 N ATOM 612 CA ALA A 40 2.832 -13.359 9.819 1.00 0.00 C ATOM 613 C ALA A 40 1.951 -12.824 8.688 1.00 0.00 C ATOM 614 O ALA A 40 0.986 -13.473 8.287 1.00 0.00 O ATOM 615 CB ALA A 40 2.278 -14.650 10.427 1.00 0.00 C ATOM 0 H ALA A 40 2.126 -12.239 11.443 1.00 0.00 H new ATOM 0 HA ALA A 40 3.809 -13.591 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.188 -15.409 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.954 -15.005 11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.297 -14.456 10.860 1.00 0.00 H new ATOM 621 N VAL A 41 2.315 -11.644 8.206 1.00 0.00 N ATOM 622 CA VAL A 41 1.571 -11.014 7.129 1.00 0.00 C ATOM 623 C VAL A 41 2.482 -10.030 6.393 1.00 0.00 C ATOM 624 O VAL A 41 3.273 -9.324 7.018 1.00 0.00 O ATOM 625 CB VAL A 41 0.305 -10.357 7.683 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.439 -9.590 6.588 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.607 -11.394 8.343 1.00 0.00 C ATOM 0 H VAL A 41 3.115 -11.108 8.542 1.00 0.00 H new ATOM 0 HA VAL A 41 1.244 -11.759 6.404 1.00 0.00 H new ATOM 0 HB VAL A 41 0.606 -9.641 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.335 -9.133 7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.209 -8.813 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.722 -10.277 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.499 -10.901 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.896 -12.145 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.076 -11.876 9.164 1.00 0.00 H new ATOM 637 N ARG A 42 2.340 -10.013 5.076 1.00 0.00 N ATOM 638 CA ARG A 42 3.140 -9.127 4.248 1.00 0.00 C ATOM 639 C ARG A 42 2.288 -7.963 3.738 1.00 0.00 C ATOM 640 O ARG A 42 1.131 -7.819 4.130 1.00 0.00 O ATOM 641 CB ARG A 42 3.735 -9.876 3.054 1.00 0.00 C ATOM 642 CG ARG A 42 5.196 -10.249 3.313 1.00 0.00 C ATOM 643 CD ARG A 42 5.658 -11.351 2.358 1.00 0.00 C ATOM 644 NE ARG A 42 7.005 -11.827 2.748 1.00 0.00 N ATOM 645 CZ ARG A 42 7.692 -12.779 2.083 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.165 -13.367 0.988 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.888 -13.128 2.520 1.00 0.00 N ATOM 0 H ARG A 42 1.682 -10.599 4.562 1.00 0.00 H new ATOM 0 HA ARG A 42 3.954 -8.744 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.155 -10.778 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.667 -9.255 2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.827 -9.369 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.312 -10.584 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.951 -12.180 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.679 -10.973 1.336 1.00 0.00 H new ATOM 0 HE ARG A 42 7.440 -11.409 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.240 -13.092 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.692 -14.086 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.279 -12.680 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.421 -13.846 2.029 1.00 0.00 H new ATOM 660 N ALA A 43 2.893 -7.163 2.873 1.00 0.00 N ATOM 661 CA ALA A 43 2.204 -6.017 2.305 1.00 0.00 C ATOM 662 C ALA A 43 1.670 -6.383 0.919 1.00 0.00 C ATOM 663 O ALA A 43 0.736 -5.754 0.423 1.00 0.00 O ATOM 664 CB ALA A 43 3.153 -4.818 2.266 1.00 0.00 C ATOM 0 H ALA A 43 3.853 -7.286 2.551 1.00 0.00 H new ATOM 0 HA ALA A 43 1.351 -5.738 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.636 -3.958 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.480 -4.580 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.021 -5.060 1.652 1.00 0.00 H new ATOM 670 N THR A 44 2.286 -7.399 0.332 1.00 0.00 N ATOM 671 CA THR A 44 1.885 -7.856 -0.987 1.00 0.00 C ATOM 672 C THR A 44 1.349 -9.287 -0.915 1.00 0.00 C ATOM 673 O THR A 44 1.572 -10.084 -1.826 1.00 0.00 O ATOM 674 CB THR A 44 3.083 -7.702 -1.926 1.00 0.00 C ATOM 675 OG1 THR A 44 4.161 -8.304 -1.214 1.00 0.00 O ATOM 676 CG2 THR A 44 3.514 -6.244 -2.091 1.00 0.00 C ATOM 0 H THR A 44 3.060 -7.918 0.746 1.00 0.00 H new ATOM 0 HA THR A 44 1.066 -7.255 -1.382 1.00 0.00 H new ATOM 0 HB THR A 44 2.835 -8.120 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.979 -8.250 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.367 -6.191 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.688 -5.665 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.794 -5.835 -1.120 1.00 0.00 H new ATOM 684 N THR A 45 0.652 -9.570 0.175 1.00 0.00 N ATOM 685 CA THR A 45 0.082 -10.892 0.378 1.00 0.00 C ATOM 686 C THR A 45 -1.352 -10.941 -0.151 1.00 0.00 C ATOM 687 O THR A 45 -2.098 -9.971 -0.024 1.00 0.00 O ATOM 688 CB THR A 45 0.194 -11.231 1.865 1.00 0.00 C ATOM 689 OG1 THR A 45 1.344 -12.068 1.946 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.951 -12.124 2.349 1.00 0.00 C ATOM 0 H THR A 45 0.469 -8.907 0.928 1.00 0.00 H new ATOM 0 HA THR A 45 0.628 -11.649 -0.184 1.00 0.00 H new ATOM 0 HB THR A 45 0.208 -10.309 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.491 -12.333 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.824 -12.335 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.902 -11.614 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.944 -13.060 1.790 1.00 0.00 H new ATOM 698 N PRO A 46 -1.705 -12.110 -0.748 1.00 0.00 N ATOM 699 CA PRO A 46 -3.037 -12.299 -1.297 1.00 0.00 C ATOM 700 C PRO A 46 -4.063 -12.519 -0.184 1.00 0.00 C ATOM 701 O PRO A 46 -3.862 -13.357 0.694 1.00 0.00 O ATOM 702 CB PRO A 46 -2.912 -13.490 -2.233 1.00 0.00 C ATOM 703 CG PRO A 46 -1.637 -14.210 -1.823 1.00 0.00 C ATOM 704 CD PRO A 46 -0.848 -13.280 -0.917 1.00 0.00 C ATOM 0 HA PRO A 46 -3.398 -11.423 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.777 -14.147 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.861 -13.166 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.873 -15.139 -1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.049 -14.476 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.629 -13.752 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.108 -13.009 -1.364 1.00 0.00 H new ATOM 712 N PHE A 47 -5.140 -11.751 -0.255 1.00 0.00 N ATOM 713 CA PHE A 47 -6.198 -11.851 0.736 1.00 0.00 C ATOM 714 C PHE A 47 -6.945 -13.180 0.608 1.00 0.00 C ATOM 715 O PHE A 47 -7.543 -13.655 1.572 1.00 0.00 O ATOM 716 CB PHE A 47 -7.172 -10.703 0.468 1.00 0.00 C ATOM 717 CG PHE A 47 -6.764 -9.376 1.112 1.00 0.00 C ATOM 718 CD1 PHE A 47 -5.480 -8.938 1.012 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.685 -8.635 1.785 1.00 0.00 C ATOM 720 CE1 PHE A 47 -5.101 -7.707 1.610 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.306 -7.404 2.383 1.00 0.00 C ATOM 722 CZ PHE A 47 -6.022 -6.966 2.283 1.00 0.00 C ATOM 0 H PHE A 47 -5.303 -11.056 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.775 -11.799 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.261 -10.560 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.159 -10.985 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.749 -9.527 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.704 -8.983 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.082 -7.359 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.037 -6.815 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.734 -6.030 2.738 1.00 0.00 H new ATOM 732 N LYS A 48 -6.888 -13.741 -0.591 1.00 0.00 N ATOM 733 CA LYS A 48 -7.552 -15.005 -0.858 1.00 0.00 C ATOM 734 C LYS A 48 -7.027 -16.067 0.110 1.00 0.00 C ATOM 735 O LYS A 48 -7.673 -17.091 0.324 1.00 0.00 O ATOM 736 CB LYS A 48 -7.402 -15.388 -2.332 1.00 0.00 C ATOM 737 CG LYS A 48 -8.745 -15.819 -2.925 1.00 0.00 C ATOM 738 CD LYS A 48 -8.541 -16.711 -4.152 1.00 0.00 C ATOM 739 CE LYS A 48 -8.978 -18.149 -3.862 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.929 -18.964 -5.097 1.00 0.00 N ATOM 0 H LYS A 48 -6.392 -13.343 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.624 -14.916 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.007 -14.541 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.680 -16.199 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.323 -16.356 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.323 -14.938 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.112 -16.316 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.491 -16.698 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.329 -18.587 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.990 -18.153 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.228 -19.937 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.567 -18.554 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.957 -18.974 -5.468 1.00 0.00 H new ATOM 753 N GLU A 49 -5.859 -15.786 0.669 1.00 0.00 N ATOM 754 CA GLU A 49 -5.239 -16.704 1.610 1.00 0.00 C ATOM 755 C GLU A 49 -5.490 -16.241 3.047 1.00 0.00 C ATOM 756 O GLU A 49 -5.410 -17.037 3.981 1.00 0.00 O ATOM 757 CB GLU A 49 -3.741 -16.845 1.332 1.00 0.00 C ATOM 758 CG GLU A 49 -2.979 -15.601 1.795 1.00 0.00 C ATOM 759 CD GLU A 49 -1.879 -15.972 2.792 1.00 0.00 C ATOM 760 OE1 GLU A 49 -1.157 -16.957 2.580 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.788 -15.194 3.817 1.00 0.00 O ATOM 0 H GLU A 49 -5.325 -14.936 0.488 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.692 -17.687 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.353 -17.725 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.578 -17.000 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.540 -15.098 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.671 -14.897 2.257 1.00 0.00 H new ATOM 769 N LEU A 50 -5.788 -14.957 3.177 1.00 0.00 N ATOM 770 CA LEU A 50 -6.051 -14.379 4.485 1.00 0.00 C ATOM 771 C LEU A 50 -7.350 -14.962 5.043 1.00 0.00 C ATOM 772 O LEU A 50 -7.539 -15.017 6.257 1.00 0.00 O ATOM 773 CB LEU A 50 -6.046 -12.851 4.406 1.00 0.00 C ATOM 774 CG LEU A 50 -4.669 -12.185 4.396 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.790 -10.680 4.149 1.00 0.00 C ATOM 776 CD2 LEU A 50 -3.900 -12.495 5.683 1.00 0.00 C ATOM 0 H LEU A 50 -5.853 -14.300 2.399 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.257 -14.641 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.579 -12.552 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.610 -12.461 5.253 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.094 -12.602 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.797 -10.231 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.269 -10.507 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.391 -10.229 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.925 -12.010 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.461 -12.124 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.766 -13.573 5.776 1.00 0.00 H new ATOM 788 N GLY A 51 -8.214 -15.382 4.130 1.00 0.00 N ATOM 789 CA GLY A 51 -9.490 -15.959 4.516 1.00 0.00 C ATOM 790 C GLY A 51 -10.629 -14.959 4.305 1.00 0.00 C ATOM 791 O GLY A 51 -11.264 -14.524 5.265 1.00 0.00 O ATOM 0 H GLY A 51 -8.055 -15.334 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.678 -16.859 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.455 -16.261 5.563 1.00 0.00 H new ATOM 795 N PHE A 52 -10.854 -14.625 3.043 1.00 0.00 N ATOM 796 CA PHE A 52 -11.906 -13.685 2.694 1.00 0.00 C ATOM 797 C PHE A 52 -12.813 -14.258 1.602 1.00 0.00 C ATOM 798 O PHE A 52 -12.360 -15.026 0.754 1.00 0.00 O ATOM 799 CB PHE A 52 -11.221 -12.425 2.162 1.00 0.00 C ATOM 800 CG PHE A 52 -11.052 -11.321 3.207 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.177 -11.486 4.236 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.775 -10.173 3.108 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.020 -10.461 5.206 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.618 -9.149 4.078 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.744 -9.314 5.107 1.00 0.00 C ATOM 0 H PHE A 52 -10.326 -14.988 2.250 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.523 -13.475 3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.240 -12.695 1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.801 -12.034 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.602 -12.397 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.469 -10.041 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.325 -10.592 6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.193 -8.238 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.625 -8.535 5.845 1.00 0.00 H new ATOM 815 N ASP A 53 -14.076 -13.862 1.659 1.00 0.00 N ATOM 816 CA ASP A 53 -15.050 -14.326 0.685 1.00 0.00 C ATOM 817 C ASP A 53 -16.074 -13.219 0.428 1.00 0.00 C ATOM 818 O ASP A 53 -16.078 -12.609 -0.640 1.00 0.00 O ATOM 819 CB ASP A 53 -15.801 -15.555 1.201 1.00 0.00 C ATOM 820 CG ASP A 53 -15.981 -15.613 2.720 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.078 -15.243 3.484 1.00 0.00 O ATOM 822 OD2 ASP A 53 -17.122 -16.066 3.117 1.00 0.00 O ATOM 0 H ASP A 53 -14.447 -13.225 2.364 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.516 -14.587 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.785 -15.584 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.268 -16.450 0.879 1.00 0.00 H new ATOM 828 N SER A 54 -16.917 -12.993 1.424 1.00 0.00 N ATOM 829 CA SER A 54 -17.944 -11.970 1.319 1.00 0.00 C ATOM 830 C SER A 54 -18.127 -11.272 2.668 1.00 0.00 C ATOM 831 O SER A 54 -17.956 -10.058 2.770 1.00 0.00 O ATOM 832 CB SER A 54 -19.271 -12.568 0.846 1.00 0.00 C ATOM 833 OG SER A 54 -19.136 -13.248 -0.398 1.00 0.00 O ATOM 0 H SER A 54 -16.910 -13.501 2.308 1.00 0.00 H new ATOM 0 HA SER A 54 -17.623 -11.237 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.645 -13.261 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.012 -11.774 0.747 1.00 0.00 H new ATOM 0 HG SER A 54 -20.004 -13.617 -0.665 1.00 0.00 H new ATOM 839 N LEU A 55 -18.472 -12.068 3.669 1.00 0.00 N ATOM 840 CA LEU A 55 -18.680 -11.541 5.007 1.00 0.00 C ATOM 841 C LEU A 55 -17.384 -10.896 5.503 1.00 0.00 C ATOM 842 O LEU A 55 -17.415 -9.850 6.150 1.00 0.00 O ATOM 843 CB LEU A 55 -19.219 -12.632 5.934 1.00 0.00 C ATOM 844 CG LEU A 55 -20.695 -12.992 5.759 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.859 -14.466 5.382 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.501 -12.627 7.008 1.00 0.00 C ATOM 0 H LEU A 55 -18.613 -13.074 3.580 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.441 -10.760 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.625 -13.534 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.063 -12.315 6.965 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.095 -12.402 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.918 -14.696 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.338 -14.662 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.438 -15.092 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.547 -12.893 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.108 -13.172 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.422 -11.555 7.191 1.00 0.00 H new ATOM 858 N ALA A 56 -16.276 -11.547 5.182 1.00 0.00 N ATOM 859 CA ALA A 56 -14.972 -11.050 5.588 1.00 0.00 C ATOM 860 C ALA A 56 -14.622 -9.813 4.759 1.00 0.00 C ATOM 861 O ALA A 56 -14.049 -8.856 5.278 1.00 0.00 O ATOM 862 CB ALA A 56 -13.933 -12.164 5.440 1.00 0.00 C ATOM 0 H ALA A 56 -16.254 -12.414 4.646 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.984 -10.752 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.955 -11.792 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.212 -13.008 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.891 -12.486 4.400 1.00 0.00 H new ATOM 868 N ALA A 57 -14.982 -9.872 3.485 1.00 0.00 N ATOM 869 CA ALA A 57 -14.714 -8.767 2.580 1.00 0.00 C ATOM 870 C ALA A 57 -15.566 -7.563 2.985 1.00 0.00 C ATOM 871 O ALA A 57 -15.102 -6.425 2.936 1.00 0.00 O ATOM 872 CB ALA A 57 -14.979 -9.211 1.140 1.00 0.00 C ATOM 0 H ALA A 57 -15.457 -10.667 3.058 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.668 -8.466 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.778 -8.382 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.328 -10.049 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.020 -9.518 1.040 1.00 0.00 H new ATOM 878 N VAL A 58 -16.798 -7.855 3.376 1.00 0.00 N ATOM 879 CA VAL A 58 -17.719 -6.810 3.789 1.00 0.00 C ATOM 880 C VAL A 58 -17.297 -6.276 5.159 1.00 0.00 C ATOM 881 O VAL A 58 -17.244 -5.065 5.369 1.00 0.00 O ATOM 882 CB VAL A 58 -19.154 -7.340 3.770 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.644 -7.648 5.186 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.092 -6.357 3.067 1.00 0.00 C ATOM 0 H VAL A 58 -17.180 -8.800 3.415 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.686 -5.974 3.090 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.159 -8.272 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.667 -8.023 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.999 -8.402 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.616 -6.739 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.106 -6.758 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.079 -5.402 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.760 -6.209 2.039 1.00 0.00 H new ATOM 894 N ARG A 59 -17.008 -7.206 6.057 1.00 0.00 N ATOM 895 CA ARG A 59 -16.592 -6.845 7.402 1.00 0.00 C ATOM 896 C ARG A 59 -15.343 -5.963 7.352 1.00 0.00 C ATOM 897 O ARG A 59 -15.143 -5.113 8.219 1.00 0.00 O ATOM 898 CB ARG A 59 -16.296 -8.090 8.240 1.00 0.00 C ATOM 899 CG ARG A 59 -17.535 -8.533 9.021 1.00 0.00 C ATOM 900 CD ARG A 59 -17.343 -9.933 9.607 1.00 0.00 C ATOM 901 NE ARG A 59 -17.358 -9.869 11.086 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.805 -10.802 11.889 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.188 -11.881 11.363 1.00 0.00 N ATOM 904 NH2 ARG A 59 -16.877 -10.643 13.198 1.00 0.00 N ATOM 0 H ARG A 59 -17.054 -8.209 5.880 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.411 -6.295 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.963 -8.899 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.481 -7.881 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.736 -7.823 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.405 -8.526 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.134 -10.595 9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.398 -10.354 9.263 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.815 -9.070 11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.137 -11.996 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.773 -12.581 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.345 -9.825 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.464 -11.338 13.820 1.00 0.00 H new ATOM 917 N LEU A 60 -14.534 -6.195 6.329 1.00 0.00 N ATOM 918 CA LEU A 60 -13.309 -5.433 6.155 1.00 0.00 C ATOM 919 C LEU A 60 -13.659 -3.999 5.751 1.00 0.00 C ATOM 920 O LEU A 60 -13.160 -3.044 6.343 1.00 0.00 O ATOM 921 CB LEU A 60 -12.374 -6.138 5.171 1.00 0.00 C ATOM 922 CG LEU A 60 -11.138 -5.348 4.736 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.336 -4.873 5.950 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.280 -6.162 3.766 1.00 0.00 C ATOM 0 H LEU A 60 -14.703 -6.900 5.612 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.760 -5.375 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.043 -7.073 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.946 -6.399 4.280 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.472 -4.459 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.463 -4.314 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.961 -4.230 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.012 -5.736 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.408 -5.577 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.953 -7.081 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.866 -6.409 2.881 1.00 0.00 H new ATOM 936 N ARG A 61 -14.514 -3.895 4.744 1.00 0.00 N ATOM 937 CA ARG A 61 -14.937 -2.594 4.254 1.00 0.00 C ATOM 938 C ARG A 61 -15.651 -1.816 5.360 1.00 0.00 C ATOM 939 O ARG A 61 -15.485 -0.602 5.478 1.00 0.00 O ATOM 940 CB ARG A 61 -15.875 -2.736 3.053 1.00 0.00 C ATOM 941 CG ARG A 61 -16.255 -1.366 2.489 1.00 0.00 C ATOM 942 CD ARG A 61 -17.733 -1.060 2.741 1.00 0.00 C ATOM 943 NE ARG A 61 -18.306 -0.342 1.581 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.628 -0.147 1.389 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.526 -0.616 2.281 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.029 0.509 0.316 1.00 0.00 N ATOM 0 H ARG A 61 -14.925 -4.690 4.254 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.045 -2.052 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.392 -3.331 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.775 -3.273 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.637 -0.595 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.052 -1.340 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.281 -1.987 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.839 -0.456 3.642 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.662 0.029 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.207 -1.122 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.523 -0.464 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.344 0.860 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.024 0.665 0.156 1.00 0.00 H new ATOM 959 N ASN A 62 -16.431 -2.545 6.144 1.00 0.00 N ATOM 960 CA ASN A 62 -17.171 -1.939 7.238 1.00 0.00 C ATOM 961 C ASN A 62 -16.187 -1.399 8.277 1.00 0.00 C ATOM 962 O ASN A 62 -16.462 -0.398 8.936 1.00 0.00 O ATOM 963 CB ASN A 62 -18.072 -2.964 7.929 1.00 0.00 C ATOM 964 CG ASN A 62 -18.968 -3.679 6.915 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.083 -4.893 6.896 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.594 -2.860 6.074 1.00 0.00 N ATOM 0 H ASN A 62 -16.567 -3.551 6.043 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.785 -1.139 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.459 -3.695 8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.689 -2.466 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.214 -3.240 5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.454 -1.852 6.144 1.00 0.00 H new ATOM 973 N LEU A 63 -15.059 -2.086 8.390 1.00 0.00 N ATOM 974 CA LEU A 63 -14.032 -1.687 9.338 1.00 0.00 C ATOM 975 C LEU A 63 -13.142 -0.619 8.699 1.00 0.00 C ATOM 976 O LEU A 63 -12.735 0.332 9.364 1.00 0.00 O ATOM 977 CB LEU A 63 -13.262 -2.911 9.839 1.00 0.00 C ATOM 978 CG LEU A 63 -12.769 -2.847 11.285 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.338 -4.229 11.780 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.654 -1.810 11.439 1.00 0.00 C ATOM 0 H LEU A 63 -14.834 -2.916 7.841 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.483 -1.238 10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.902 -3.787 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.401 -3.065 9.189 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.599 -2.524 11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.992 -4.155 12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.185 -4.914 11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.530 -4.605 11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.321 -1.785 12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.816 -2.079 10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.029 -0.827 11.154 1.00 0.00 H new ATOM 992 N LEU A 64 -12.866 -0.813 7.418 1.00 0.00 N ATOM 993 CA LEU A 64 -12.032 0.122 6.683 1.00 0.00 C ATOM 994 C LEU A 64 -12.657 1.517 6.748 1.00 0.00 C ATOM 995 O LEU A 64 -11.983 2.515 6.495 1.00 0.00 O ATOM 996 CB LEU A 64 -11.794 -0.379 5.257 1.00 0.00 C ATOM 997 CG LEU A 64 -10.563 -1.265 5.054 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.285 -1.485 3.565 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.348 -0.691 5.785 1.00 0.00 C ATOM 0 H LEU A 64 -13.205 -1.604 6.870 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.045 0.193 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.675 -0.936 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.707 0.486 4.599 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.770 -2.242 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.405 -2.118 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.144 -1.970 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.107 -0.524 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.487 -1.340 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.129 0.305 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.561 -0.629 6.852 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.937 1.542 7.088 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.660 2.798 7.190 1.00 0.00 C ATOM 1013 C ASN A 65 -14.077 3.626 8.337 1.00 0.00 C ATOM 1014 O ASN A 65 -14.289 4.835 8.405 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.142 2.558 7.485 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.979 2.663 6.209 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.651 3.805 6.096 1.00 0.00 O flip ATOM 1018 ND2 ASN A 65 -17.013 1.766 5.383 1.00 0.00 N flip ATOM 0 H ASN A 65 -14.492 0.712 7.296 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.562 3.322 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.273 1.572 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.494 3.286 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.472 0.914 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.583 1.868 4.543 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.354 2.940 9.211 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.739 3.597 10.352 1.00 0.00 C ATOM 1027 C ALA A 66 -11.379 4.163 9.937 1.00 0.00 C ATOM 1028 O ALA A 66 -10.807 4.993 10.642 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.629 2.607 11.513 1.00 0.00 C ATOM 0 H ALA A 66 -13.181 1.937 9.152 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.353 4.431 10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.168 3.100 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.624 2.257 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.017 1.758 11.210 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.901 3.691 8.795 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.619 4.140 8.279 1.00 0.00 C ATOM 1037 C ALA A 67 -9.852 5.073 7.089 1.00 0.00 C ATOM 1038 O ALA A 67 -8.900 5.537 6.464 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.765 2.926 7.908 1.00 0.00 C ATOM 0 H ALA A 67 -11.378 3.003 8.213 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.075 4.702 9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.803 3.262 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.605 2.310 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.278 2.340 7.146 1.00 0.00 H new ATOM 1045 N THR A 68 -11.124 5.322 6.813 1.00 0.00 N ATOM 1046 CA THR A 68 -11.494 6.192 5.710 1.00 0.00 C ATOM 1047 C THR A 68 -12.681 7.074 6.101 1.00 0.00 C ATOM 1048 O THR A 68 -12.522 8.275 6.316 1.00 0.00 O ATOM 1049 CB THR A 68 -11.767 5.314 4.487 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.867 4.499 4.882 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.640 4.314 4.220 1.00 0.00 C ATOM 0 H THR A 68 -11.911 4.936 7.334 1.00 0.00 H new ATOM 0 HA THR A 68 -10.686 6.880 5.461 1.00 0.00 H new ATOM 0 HB THR A 68 -11.906 5.947 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.535 3.709 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.884 3.716 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.709 4.853 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.523 3.659 5.083 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.844 6.445 6.182 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.057 7.158 6.544 1.00 0.00 C ATOM 1061 C GLY A 69 -15.947 7.383 5.320 1.00 0.00 C ATOM 1062 O GLY A 69 -16.909 8.148 5.380 1.00 0.00 O ATOM 0 H GLY A 69 -13.972 5.449 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.605 6.592 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.799 8.118 6.992 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.594 6.704 4.239 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.349 6.820 3.003 1.00 0.00 C ATOM 1068 C LEU A 70 -17.035 5.486 2.702 1.00 0.00 C ATOM 1069 O LEU A 70 -17.123 4.619 3.570 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.448 7.317 1.870 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.243 6.436 1.535 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.567 5.478 0.387 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.007 7.287 1.239 1.00 0.00 C ATOM 0 H LEU A 70 -14.795 6.071 4.193 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.136 7.567 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.055 7.425 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.085 8.311 2.131 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.012 5.826 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.694 4.863 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.400 4.836 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.838 6.051 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.165 6.636 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.209 7.940 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.765 7.893 2.112 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.504 5.363 1.469 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.179 4.149 1.043 1.00 0.00 C ATOM 1087 C ARG A 71 -17.296 3.363 0.071 1.00 0.00 C ATOM 1088 O ARG A 71 -17.514 3.400 -1.139 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.512 4.470 0.364 1.00 0.00 C ATOM 1090 CG ARG A 71 -19.490 5.870 -0.253 1.00 0.00 C ATOM 1091 CD ARG A 71 -20.689 6.080 -1.180 1.00 0.00 C ATOM 1092 NE ARG A 71 -20.232 6.601 -2.488 1.00 0.00 N ATOM 1093 CZ ARG A 71 -19.698 7.827 -2.670 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -19.549 8.671 -1.626 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -19.324 8.189 -3.882 1.00 0.00 N ATOM 0 H ARG A 71 -17.430 6.084 0.751 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.372 3.548 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.717 3.731 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.321 4.402 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.502 6.620 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.565 6.010 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.220 5.139 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.392 6.779 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.327 5.995 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.841 8.383 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.145 9.596 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.440 7.546 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.919 9.112 -4.036 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.319 2.671 0.637 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.402 1.878 -0.164 1.00 0.00 C ATOM 1110 C LEU A 72 -16.204 0.974 -1.102 1.00 0.00 C ATOM 1111 O LEU A 72 -17.382 0.714 -0.864 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.425 1.118 0.735 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.245 1.927 1.278 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.517 1.162 2.384 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.299 2.341 0.149 1.00 0.00 C ATOM 0 H LEU A 72 -16.142 2.643 1.641 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.786 2.524 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.981 0.712 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.031 0.270 0.175 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.635 2.842 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.683 1.760 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.208 0.961 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.140 0.219 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.469 2.915 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.913 1.451 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.840 2.953 -0.573 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.515 0.507 -2.178 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.149 -0.363 -3.154 1.00 0.00 C ATOM 1129 C PRO A 73 -16.314 -1.780 -2.600 1.00 0.00 C ATOM 1130 O PRO A 73 -15.474 -2.253 -1.836 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.250 -0.304 -4.377 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.911 0.222 -3.886 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.118 0.793 -2.492 1.00 0.00 C ATOM 0 HA PRO A 73 -17.161 -0.046 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.140 -1.290 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.671 0.351 -5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.171 -0.578 -3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.532 0.990 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.447 0.328 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.918 1.864 -2.469 1.00 0.00 H new ATOM 1141 N SER A 74 -17.402 -2.417 -3.008 1.00 0.00 N ATOM 1142 CA SER A 74 -17.687 -3.771 -2.563 1.00 0.00 C ATOM 1143 C SER A 74 -16.721 -4.754 -3.226 1.00 0.00 C ATOM 1144 O SER A 74 -16.497 -5.850 -2.715 1.00 0.00 O ATOM 1145 CB SER A 74 -19.134 -4.158 -2.871 1.00 0.00 C ATOM 1146 OG SER A 74 -19.495 -3.852 -4.215 1.00 0.00 O ATOM 0 H SER A 74 -18.096 -2.021 -3.642 1.00 0.00 H new ATOM 0 HA SER A 74 -17.551 -3.812 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.269 -5.225 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.802 -3.634 -2.188 1.00 0.00 H new ATOM 0 HG SER A 74 -20.426 -4.116 -4.372 1.00 0.00 H new ATOM 1152 N THR A 75 -16.175 -4.328 -4.356 1.00 0.00 N ATOM 1153 CA THR A 75 -15.239 -5.158 -5.095 1.00 0.00 C ATOM 1154 C THR A 75 -13.806 -4.884 -4.633 1.00 0.00 C ATOM 1155 O THR A 75 -12.860 -5.477 -5.151 1.00 0.00 O ATOM 1156 CB THR A 75 -15.456 -4.902 -6.587 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.201 -3.508 -6.741 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.920 -5.060 -7.001 1.00 0.00 C ATOM 0 H THR A 75 -16.363 -3.419 -4.778 1.00 0.00 H new ATOM 0 HA THR A 75 -15.412 -6.217 -4.904 1.00 0.00 H new ATOM 0 HB THR A 75 -14.838 -5.588 -7.166 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.317 -3.256 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.019 -4.867 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.252 -6.075 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.534 -4.350 -6.446 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.690 -3.987 -3.666 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.389 -3.628 -3.129 1.00 0.00 C ATOM 1168 C LEU A 76 -11.598 -4.902 -2.827 1.00 0.00 C ATOM 1169 O LEU A 76 -10.443 -5.031 -3.231 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.544 -2.699 -1.923 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.244 -2.186 -1.300 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.385 -0.728 -0.861 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -10.792 -3.090 -0.152 1.00 0.00 C ATOM 0 H LEU A 76 -14.477 -3.497 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.816 -3.063 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.142 -1.840 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.109 -3.226 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.464 -2.219 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.447 -0.388 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.626 -0.109 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.182 -0.646 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.866 -2.703 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.563 -3.113 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.624 -4.099 -0.528 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.251 -5.812 -2.118 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.623 -7.071 -1.756 1.00 0.00 C ATOM 1187 C VAL A 77 -11.895 -8.105 -2.851 1.00 0.00 C ATOM 1188 O VAL A 77 -11.794 -9.307 -2.613 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.107 -7.520 -0.376 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.590 -8.921 -0.043 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.700 -6.514 0.702 1.00 0.00 C ATOM 0 H VAL A 77 -13.209 -5.702 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.542 -6.951 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.196 -7.562 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.948 -9.216 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.953 -9.629 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.500 -8.917 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.056 -6.857 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.614 -6.425 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.139 -5.542 0.477 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.236 -7.598 -4.027 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.524 -8.462 -5.159 1.00 0.00 C ATOM 1203 C PHE A 78 -11.834 -7.954 -6.427 1.00 0.00 C ATOM 1204 O PHE A 78 -12.040 -8.497 -7.511 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.039 -8.433 -5.371 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.672 -9.816 -5.527 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.271 -10.638 -6.534 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.637 -10.225 -4.660 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.859 -11.922 -6.680 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.225 -11.509 -4.805 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.824 -12.331 -5.812 1.00 0.00 C ATOM 0 H PHE A 78 -12.319 -6.600 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.160 -9.470 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.504 -7.925 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.260 -7.841 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.505 -10.314 -7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.956 -9.572 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.540 -12.574 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.991 -11.833 -4.116 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.271 -13.308 -5.923 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.029 -6.917 -6.248 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.307 -6.329 -7.364 1.00 0.00 C ATOM 1223 C ASP A 79 -8.934 -5.853 -6.884 1.00 0.00 C ATOM 1224 O ASP A 79 -8.276 -5.064 -7.560 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.056 -5.120 -7.928 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.339 -5.178 -9.431 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.536 -4.707 -10.250 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -12.452 -5.743 -9.755 1.00 0.00 O ATOM 0 H ASP A 79 -10.861 -6.469 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.210 -7.088 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.004 -5.019 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.476 -4.221 -7.717 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.543 -6.353 -5.721 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.261 -5.989 -5.143 1.00 0.00 C ATOM 1236 C HIS A 80 -6.474 -7.256 -4.803 1.00 0.00 C ATOM 1237 O HIS A 80 -7.020 -8.194 -4.225 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.451 -5.067 -3.937 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.479 -5.788 -2.611 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.565 -5.739 -1.754 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.546 -6.576 -2.005 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.286 -6.467 -0.683 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.034 -6.984 -0.840 1.00 0.00 N ATOM 0 H HIS A 80 -9.092 -7.007 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.677 -5.424 -5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.645 -4.333 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.383 -4.515 -4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.433 -5.229 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.574 -6.826 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.936 -6.624 0.165 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.552 -7.585 -0.172 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.169 -7.241 -5.185 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.300 -8.377 -4.926 1.00 0.00 C ATOM 1253 C PRO A 81 -3.903 -8.439 -3.450 1.00 0.00 C ATOM 1254 O PRO A 81 -4.061 -9.473 -2.803 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.112 -8.183 -5.853 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.132 -6.718 -6.256 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.488 -6.147 -5.871 1.00 0.00 C ATOM 0 HA PRO A 81 -4.788 -9.332 -5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.179 -8.437 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.189 -8.830 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.332 -6.173 -5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.965 -6.615 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.382 -5.278 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.045 -5.823 -6.750 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.395 -7.317 -2.959 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.974 -7.231 -1.571 1.00 0.00 C ATOM 1267 C ASN A 82 -3.515 -5.937 -0.959 1.00 0.00 C ATOM 1268 O ASN A 82 -4.278 -5.215 -1.598 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.449 -7.205 -1.459 1.00 0.00 C ATOM 1270 CG ASN A 82 -0.815 -6.641 -2.732 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.629 -7.545 -3.690 1.00 0.00 O flip ATOM 1272 ND2 ASN A 82 -0.514 -5.464 -2.838 1.00 0.00 N flip ATOM 0 H ASN A 82 -3.266 -6.461 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.359 -8.105 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.154 -6.599 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.077 -8.214 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.684 -4.822 -2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.092 -5.121 -3.701 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.099 -5.684 0.273 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.532 -4.491 0.979 1.00 0.00 C ATOM 1281 C ALA A 83 -2.855 -3.265 0.363 1.00 0.00 C ATOM 1282 O ALA A 83 -3.496 -2.236 0.155 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.223 -4.639 2.470 1.00 0.00 C ATOM 0 H ALA A 83 -2.466 -6.285 0.800 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.609 -4.357 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.548 -3.743 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.750 -5.507 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.150 -4.773 2.608 1.00 0.00 H new ATOM 1289 N SER A 84 -1.568 -3.415 0.087 1.00 0.00 N ATOM 1290 CA SER A 84 -0.797 -2.333 -0.502 1.00 0.00 C ATOM 1291 C SER A 84 -1.599 -1.668 -1.622 1.00 0.00 C ATOM 1292 O SER A 84 -1.497 -0.461 -1.831 1.00 0.00 O ATOM 1293 CB SER A 84 0.543 -2.840 -1.038 1.00 0.00 C ATOM 1294 OG SER A 84 1.596 -1.907 -0.810 1.00 0.00 O ATOM 0 H SER A 84 -1.039 -4.270 0.260 1.00 0.00 H new ATOM 0 HA SER A 84 -0.592 -1.597 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.789 -3.788 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.456 -3.034 -2.107 1.00 0.00 H new ATOM 0 HG SER A 84 2.435 -2.268 -1.165 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.380 -2.486 -2.313 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.200 -1.992 -3.406 1.00 0.00 C ATOM 1302 C ALA A 85 -4.449 -1.317 -2.837 1.00 0.00 C ATOM 1303 O ALA A 85 -4.820 -0.226 -3.267 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.540 -3.147 -4.351 1.00 0.00 C ATOM 0 H ALA A 85 -2.462 -3.487 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.658 -1.245 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.155 -2.777 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.620 -3.573 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.088 -3.915 -3.805 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.063 -1.994 -1.878 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.263 -1.473 -1.245 1.00 0.00 C ATOM 1312 C VAL A 86 -6.020 -0.025 -0.814 1.00 0.00 C ATOM 1313 O VAL A 86 -6.853 0.847 -1.057 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.679 -2.380 -0.086 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.725 -1.696 0.797 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.191 -3.727 -0.599 1.00 0.00 C ATOM 0 H VAL A 86 -4.752 -2.899 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.094 -1.467 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.796 -2.569 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.004 -2.362 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.310 -0.775 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.608 -1.463 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.480 -4.352 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.055 -3.566 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.403 -4.224 -1.165 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.875 0.186 -0.182 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.511 1.513 0.285 1.00 0.00 C ATOM 1328 C ALA A 87 -4.682 2.516 -0.858 1.00 0.00 C ATOM 1329 O ALA A 87 -5.395 3.508 -0.717 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.082 1.489 0.830 1.00 0.00 C ATOM 0 H ALA A 87 -4.187 -0.540 0.018 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.165 1.826 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.809 2.485 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.020 0.783 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.396 1.182 0.040 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.015 2.222 -1.965 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.084 3.086 -3.132 1.00 0.00 C ATOM 1338 C GLY A 88 -5.536 3.403 -3.494 1.00 0.00 C ATOM 1339 O GLY A 88 -5.966 4.552 -3.402 1.00 0.00 O ATOM 0 H GLY A 88 -3.425 1.398 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.544 4.012 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.592 2.603 -3.976 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.253 2.364 -3.897 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.648 2.518 -4.273 1.00 0.00 C ATOM 1345 C PHE A 89 -8.351 3.534 -3.370 1.00 0.00 C ATOM 1346 O PHE A 89 -9.011 4.450 -3.856 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.312 1.151 -4.097 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.263 0.770 -5.234 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.544 1.226 -5.230 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.826 -0.024 -6.248 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.426 0.872 -6.285 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -9.709 -0.378 -7.303 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.990 0.078 -7.299 1.00 0.00 C ATOM 0 H PHE A 89 -5.894 1.412 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.719 2.876 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.536 0.390 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.865 1.145 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.890 1.857 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.808 -0.385 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.444 1.234 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.363 -1.009 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.661 -0.191 -8.101 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.185 3.336 -2.070 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.795 4.223 -1.095 1.00 0.00 C ATOM 1365 C LEU A 90 -8.200 5.625 -1.244 1.00 0.00 C ATOM 1366 O LEU A 90 -8.932 6.597 -1.422 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.658 3.644 0.315 1.00 0.00 C ATOM 1368 CG LEU A 90 -8.954 4.606 1.467 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -7.916 5.729 1.525 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.381 5.150 1.374 1.00 0.00 C ATOM 0 H LEU A 90 -7.637 2.574 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.866 4.310 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.328 2.788 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.642 3.267 0.434 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.881 4.051 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.150 6.398 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.925 5.301 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.933 6.289 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.566 5.831 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.506 5.684 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.089 4.323 1.419 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.879 5.684 -1.166 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.178 6.951 -1.291 1.00 0.00 C ATOM 1384 C ASP A 91 -6.741 7.725 -2.484 1.00 0.00 C ATOM 1385 O ASP A 91 -7.084 8.900 -2.360 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.683 6.732 -1.533 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.771 7.829 -0.982 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -4.159 8.590 -0.082 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.601 7.888 -1.521 1.00 0.00 O ATOM 0 H ASP A 91 -6.275 4.875 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.316 7.505 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.393 5.781 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.513 6.644 -2.606 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.820 7.036 -3.613 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.336 7.644 -4.827 1.00 0.00 C ATOM 1397 C ALA A 92 -8.762 8.140 -4.578 1.00 0.00 C ATOM 1398 O ALA A 92 -9.158 9.185 -5.091 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.261 6.636 -5.975 1.00 0.00 C ATOM 0 H ALA A 92 -6.535 6.062 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.732 8.506 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.648 7.092 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.224 6.338 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.857 5.758 -5.728 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.494 7.366 -3.790 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.867 7.713 -3.467 1.00 0.00 C ATOM 1407 C GLU A 93 -10.904 8.940 -2.555 1.00 0.00 C ATOM 1408 O GLU A 93 -11.873 9.698 -2.565 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.595 6.530 -2.825 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.964 6.954 -2.290 1.00 0.00 C ATOM 1411 CD GLU A 93 -14.043 5.940 -2.678 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.103 4.846 -2.097 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.837 6.323 -3.620 1.00 0.00 O ATOM 0 H GLU A 93 -9.162 6.500 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.387 7.958 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.718 5.733 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.992 6.125 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.921 7.047 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.224 7.936 -2.685 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.836 9.099 -1.787 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.734 10.222 -0.870 1.00 0.00 C ATOM 1423 C LEU A 94 -9.067 11.399 -1.584 1.00 0.00 C ATOM 1424 O LEU A 94 -9.225 12.548 -1.175 1.00 0.00 O ATOM 1425 CB LEU A 94 -9.021 9.800 0.417 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.853 8.980 1.406 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -9.031 8.618 2.645 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -11.148 9.708 1.769 1.00 0.00 C ATOM 0 H LEU A 94 -9.034 8.469 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.726 10.555 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.138 9.220 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.669 10.698 0.925 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.135 8.045 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.645 8.036 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.163 8.030 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.698 9.530 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.720 9.104 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.910 10.669 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.739 9.871 0.868 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.335 11.072 -2.639 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.643 12.088 -3.415 1.00 0.00 C ATOM 1442 C GLY A 95 -7.582 11.701 -4.894 1.00 0.00 C ATOM 1443 O GLY A 95 -6.948 12.389 -5.693 1.00 0.00 O ATOM 0 H GLY A 95 -8.206 10.118 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.154 13.045 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.633 12.221 -3.028 1.00 0.00 H new TER 1447 GLY A 95