USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 3 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.011) USER MOD Single : A 4 MET CE :methyl -145:sc= 0 (180deg=-0.48) USER MOD Single : A 18 THR OG1 : rot 94:sc= 1.35 USER MOD Single : A 27 THR OG1 : rot 92:sc= 0.86 USER MOD Single : A 28 SER OG : rot 26:sc= -2.53! USER MOD Single : A 29 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 31 THR OG1 : rot 84:sc= 1.02 USER MOD Single : A 35 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-4.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 45 THR OG1 : rot -150:sc= 0 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= 0.424 X(o=0.42,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.43) USER MOD Single : A 68 THR OG1 : rot -98:sc= -0.318 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00973 USER MOD Single : A 80 HIS : no HD1:sc= -18! C(o=-18!,f=-21!) USER MOD Single : A 82 ASN : amide:sc= -7.01 K(o=-7,f=-12!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.959 -1.494 4.034 1.00 0.00 N ATOM 2 CA GLY A 1 12.005 -0.060 3.805 1.00 0.00 C ATOM 3 C GLY A 1 13.029 0.610 4.723 1.00 0.00 C ATOM 4 O GLY A 1 14.224 0.335 4.631 1.00 0.00 O ATOM 0 H1 GLY A 1 11.257 -1.925 3.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.895 -1.906 3.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.692 -1.679 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.261 0.137 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.019 0.371 3.978 1.00 0.00 H new ATOM 8 N SER A 2 12.522 1.475 5.589 1.00 0.00 N ATOM 9 CA SER A 2 13.378 2.187 6.524 1.00 0.00 C ATOM 10 C SER A 2 12.762 2.156 7.924 1.00 0.00 C ATOM 11 O SER A 2 11.595 1.804 8.085 1.00 0.00 O ATOM 12 CB SER A 2 13.603 3.632 6.074 1.00 0.00 C ATOM 13 OG SER A 2 12.456 4.174 5.426 1.00 0.00 O ATOM 0 H SER A 2 11.530 1.699 5.663 1.00 0.00 H new ATOM 0 HA SER A 2 14.347 1.688 6.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.855 4.246 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.455 3.672 5.396 1.00 0.00 H new ATOM 0 HG SER A 2 12.639 5.098 5.156 1.00 0.00 H new ATOM 19 N HIS A 3 13.575 2.530 8.901 1.00 0.00 N ATOM 20 CA HIS A 3 13.125 2.549 10.283 1.00 0.00 C ATOM 21 C HIS A 3 12.937 3.997 10.741 1.00 0.00 C ATOM 22 O HIS A 3 12.120 4.274 11.617 1.00 0.00 O ATOM 23 CB HIS A 3 14.085 1.764 11.178 1.00 0.00 C ATOM 24 CG HIS A 3 15.074 2.627 11.925 1.00 0.00 C ATOM 25 ND1 HIS A 3 16.378 2.811 11.501 1.00 0.00 N ATOM 26 CD2 HIS A 3 14.935 3.355 13.070 1.00 0.00 C ATOM 27 CE1 HIS A 3 16.988 3.614 12.360 1.00 0.00 C ATOM 28 NE2 HIS A 3 16.092 3.949 13.332 1.00 0.00 N ATOM 0 H HIS A 3 14.542 2.822 8.763 1.00 0.00 H new ATOM 0 HA HIS A 3 12.159 2.051 10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.504 1.188 11.899 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.633 1.048 10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.036 3.434 13.663 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.014 3.945 12.301 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.280 4.556 14.129 1.00 0.00 H new ATOM 36 N MET A 4 13.708 4.883 10.127 1.00 0.00 N ATOM 37 CA MET A 4 13.637 6.295 10.460 1.00 0.00 C ATOM 38 C MET A 4 12.461 6.968 9.750 1.00 0.00 C ATOM 39 O MET A 4 12.203 8.153 9.954 1.00 0.00 O ATOM 40 CB MET A 4 14.941 6.983 10.051 1.00 0.00 C ATOM 41 CG MET A 4 15.226 6.776 8.562 1.00 0.00 C ATOM 42 SD MET A 4 16.804 5.969 8.349 1.00 0.00 S ATOM 43 CE MET A 4 16.753 5.647 6.594 1.00 0.00 C ATOM 0 H MET A 4 14.385 4.650 9.401 1.00 0.00 H new ATOM 0 HA MET A 4 13.489 6.387 11.536 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.877 8.049 10.268 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.767 6.586 10.642 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.437 6.174 8.113 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.227 7.736 8.046 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.249 4.700 6.383 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.716 5.595 6.264 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.263 6.450 6.062 1.00 0.00 H new ATOM 53 N LEU A 5 11.777 6.182 8.932 1.00 0.00 N ATOM 54 CA LEU A 5 10.634 6.687 8.190 1.00 0.00 C ATOM 55 C LEU A 5 9.738 7.494 9.131 1.00 0.00 C ATOM 56 O LEU A 5 9.016 8.388 8.692 1.00 0.00 O ATOM 57 CB LEU A 5 9.908 5.542 7.481 1.00 0.00 C ATOM 58 CG LEU A 5 8.986 5.945 6.328 1.00 0.00 C ATOM 59 CD1 LEU A 5 9.417 5.275 5.021 1.00 0.00 C ATOM 60 CD2 LEU A 5 7.523 5.651 6.667 1.00 0.00 C ATOM 0 H LEU A 5 11.992 5.199 8.767 1.00 0.00 H new ATOM 0 HA LEU A 5 10.960 7.364 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.655 4.847 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.318 5.000 8.220 1.00 0.00 H new ATOM 0 HG LEU A 5 9.073 7.022 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.745 5.578 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.435 5.577 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.378 4.192 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.889 5.947 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.400 4.584 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.236 6.212 7.556 1.00 0.00 H new ATOM 72 N ARG A 6 9.812 7.149 10.408 1.00 0.00 N ATOM 73 CA ARG A 6 9.016 7.830 11.415 1.00 0.00 C ATOM 74 C ARG A 6 9.233 9.342 11.329 1.00 0.00 C ATOM 75 O ARG A 6 8.410 10.119 11.811 1.00 0.00 O ATOM 76 CB ARG A 6 9.378 7.349 12.822 1.00 0.00 C ATOM 77 CG ARG A 6 10.876 7.512 13.088 1.00 0.00 C ATOM 78 CD ARG A 6 11.321 6.644 14.267 1.00 0.00 C ATOM 79 NE ARG A 6 12.384 7.335 15.031 1.00 0.00 N ATOM 80 CZ ARG A 6 12.805 6.953 16.256 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.257 5.881 16.866 1.00 0.00 N ATOM 82 NH2 ARG A 6 13.762 7.644 16.847 1.00 0.00 N ATOM 0 H ARG A 6 10.411 6.406 10.769 1.00 0.00 H new ATOM 0 HA ARG A 6 7.969 7.598 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.810 7.914 13.561 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.096 6.302 12.936 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.439 7.237 12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.100 8.558 13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.471 6.436 14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.688 5.684 13.904 1.00 0.00 H new ATOM 0 HE ARG A 6 12.826 8.150 14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.519 5.352 16.402 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.581 5.600 17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.171 8.452 16.378 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.092 7.370 17.772 1.00 0.00 H new ATOM 95 N ASP A 7 10.344 9.715 10.712 1.00 0.00 N ATOM 96 CA ASP A 7 10.679 11.120 10.556 1.00 0.00 C ATOM 97 C ASP A 7 9.724 11.759 9.546 1.00 0.00 C ATOM 98 O ASP A 7 9.349 12.922 9.690 1.00 0.00 O ATOM 99 CB ASP A 7 12.106 11.291 10.031 1.00 0.00 C ATOM 100 CG ASP A 7 12.593 12.739 9.941 1.00 0.00 C ATOM 101 OD1 ASP A 7 12.398 13.416 8.921 1.00 0.00 O ATOM 102 OD2 ASP A 7 13.204 13.174 10.990 1.00 0.00 O ATOM 0 H ASP A 7 11.024 9.068 10.314 1.00 0.00 H new ATOM 0 HA ASP A 7 10.594 11.597 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.784 10.735 10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.169 10.840 9.041 1.00 0.00 H new ATOM 108 N ARG A 8 9.356 10.970 8.547 1.00 0.00 N ATOM 109 CA ARG A 8 8.452 11.445 7.513 1.00 0.00 C ATOM 110 C ARG A 8 7.167 11.990 8.141 1.00 0.00 C ATOM 111 O ARG A 8 6.446 12.765 7.515 1.00 0.00 O ATOM 112 CB ARG A 8 8.096 10.323 6.535 1.00 0.00 C ATOM 113 CG ARG A 8 8.390 10.740 5.093 1.00 0.00 C ATOM 114 CD ARG A 8 9.833 10.406 4.708 1.00 0.00 C ATOM 115 NE ARG A 8 10.624 11.650 4.581 1.00 0.00 N ATOM 116 CZ ARG A 8 10.561 12.482 3.519 1.00 0.00 C ATOM 117 NH1 ARG A 8 9.742 12.208 2.481 1.00 0.00 N ATOM 118 NH2 ARG A 8 11.313 13.567 3.510 1.00 0.00 N ATOM 0 H ARG A 8 9.667 10.006 8.432 1.00 0.00 H new ATOM 0 HA ARG A 8 8.960 12.240 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.665 9.427 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.041 10.069 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.703 10.232 4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.218 11.810 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.278 9.758 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.849 9.857 3.766 1.00 0.00 H new ATOM 0 HE ARG A 8 11.256 11.894 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.165 11.367 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.701 12.842 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.930 13.767 4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.277 14.206 2.716 1.00 0.00 H new ATOM 131 N LEU A 9 6.921 11.563 9.371 1.00 0.00 N ATOM 132 CA LEU A 9 5.736 11.999 10.091 1.00 0.00 C ATOM 133 C LEU A 9 5.754 13.524 10.219 1.00 0.00 C ATOM 134 O LEU A 9 4.729 14.138 10.508 1.00 0.00 O ATOM 135 CB LEU A 9 5.626 11.271 11.432 1.00 0.00 C ATOM 136 CG LEU A 9 5.726 9.745 11.377 1.00 0.00 C ATOM 137 CD1 LEU A 9 6.122 9.172 12.739 1.00 0.00 C ATOM 138 CD2 LEU A 9 4.427 9.129 10.853 1.00 0.00 C ATOM 0 H LEU A 9 7.522 10.920 9.887 1.00 0.00 H new ATOM 0 HA LEU A 9 4.835 11.736 9.536 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.411 11.643 12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.673 11.537 11.890 1.00 0.00 H new ATOM 0 HG LEU A 9 6.515 9.480 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.186 8.086 12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.090 9.575 13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.372 9.446 13.481 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.525 8.044 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.603 9.402 11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.226 9.502 9.849 1.00 0.00 H new ATOM 150 N ALA A 10 6.931 14.090 9.996 1.00 0.00 N ATOM 151 CA ALA A 10 7.096 15.531 10.083 1.00 0.00 C ATOM 152 C ALA A 10 6.317 16.198 8.947 1.00 0.00 C ATOM 153 O ALA A 10 6.906 16.841 8.079 1.00 0.00 O ATOM 154 CB ALA A 10 8.586 15.878 10.050 1.00 0.00 C ATOM 0 H ALA A 10 7.779 13.577 9.755 1.00 0.00 H new ATOM 0 HA ALA A 10 6.695 15.907 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.709 16.959 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.089 15.404 10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.023 15.519 9.118 1.00 0.00 H new ATOM 160 N GLY A 11 5.004 16.023 8.990 1.00 0.00 N ATOM 161 CA GLY A 11 4.139 16.600 7.976 1.00 0.00 C ATOM 162 C GLY A 11 3.135 15.567 7.459 1.00 0.00 C ATOM 163 O GLY A 11 2.221 15.906 6.709 1.00 0.00 O ATOM 0 H GLY A 11 4.519 15.490 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.605 17.455 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.742 16.973 7.148 1.00 0.00 H new ATOM 167 N LEU A 12 3.340 14.328 7.882 1.00 0.00 N ATOM 168 CA LEU A 12 2.464 13.244 7.471 1.00 0.00 C ATOM 169 C LEU A 12 2.062 13.444 6.008 1.00 0.00 C ATOM 170 O LEU A 12 0.917 13.785 5.717 1.00 0.00 O ATOM 171 CB LEU A 12 1.274 13.125 8.425 1.00 0.00 C ATOM 172 CG LEU A 12 1.601 12.689 9.855 1.00 0.00 C ATOM 173 CD1 LEU A 12 1.326 13.819 10.849 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.852 11.407 10.222 1.00 0.00 C ATOM 0 H LEU A 12 4.099 14.051 8.504 1.00 0.00 H new ATOM 0 HA LEU A 12 2.987 12.289 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.770 14.090 8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.565 12.413 8.003 1.00 0.00 H new ATOM 0 HG LEU A 12 2.666 12.465 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.567 13.483 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.942 14.683 10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.273 14.098 10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.102 11.119 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.222 11.579 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.141 10.608 9.539 1.00 0.00 H new ATOM 186 N PRO A 13 3.053 13.219 5.104 1.00 0.00 N ATOM 187 CA PRO A 13 2.814 13.372 3.679 1.00 0.00 C ATOM 188 C PRO A 13 1.999 12.198 3.131 1.00 0.00 C ATOM 189 O PRO A 13 1.652 11.279 3.871 1.00 0.00 O ATOM 190 CB PRO A 13 4.197 13.477 3.057 1.00 0.00 C ATOM 191 CG PRO A 13 5.161 12.916 4.089 1.00 0.00 C ATOM 192 CD PRO A 13 4.421 12.815 5.413 1.00 0.00 C ATOM 0 HA PRO A 13 2.219 14.254 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.250 12.913 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.440 14.512 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.524 11.936 3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.033 13.562 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.454 11.800 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.866 13.466 6.166 1.00 0.00 H new ATOM 200 N ARG A 14 1.718 12.268 1.838 1.00 0.00 N ATOM 201 CA ARG A 14 0.951 11.222 1.182 1.00 0.00 C ATOM 202 C ARG A 14 1.454 9.844 1.614 1.00 0.00 C ATOM 203 O ARG A 14 0.668 8.994 2.030 1.00 0.00 O ATOM 204 CB ARG A 14 1.049 11.340 -0.340 1.00 0.00 C ATOM 205 CG ARG A 14 -0.341 11.358 -0.980 1.00 0.00 C ATOM 206 CD ARG A 14 -0.592 12.680 -1.708 1.00 0.00 C ATOM 207 NE ARG A 14 -1.965 12.702 -2.258 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.434 13.660 -3.086 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.641 14.683 -3.467 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.679 13.580 -3.517 1.00 0.00 N ATOM 0 H ARG A 14 2.007 13.032 1.227 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.091 11.340 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.586 12.251 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.625 10.504 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.433 10.529 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.101 11.211 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.453 13.515 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.133 12.805 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.597 11.946 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.680 14.736 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.003 15.403 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.271 12.803 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.049 14.295 -4.143 1.00 0.00 H new ATOM 223 N ALA A 15 2.762 9.665 1.501 1.00 0.00 N ATOM 224 CA ALA A 15 3.380 8.404 1.875 1.00 0.00 C ATOM 225 C ALA A 15 2.830 7.953 3.230 1.00 0.00 C ATOM 226 O ALA A 15 2.349 6.830 3.366 1.00 0.00 O ATOM 227 CB ALA A 15 4.902 8.565 1.888 1.00 0.00 C ATOM 0 H ALA A 15 3.411 10.372 1.156 1.00 0.00 H new ATOM 0 HA ALA A 15 3.140 7.629 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.366 7.619 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.245 8.857 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.180 9.333 2.609 1.00 0.00 H new ATOM 233 N GLU A 16 2.920 8.853 4.198 1.00 0.00 N ATOM 234 CA GLU A 16 2.437 8.562 5.537 1.00 0.00 C ATOM 235 C GLU A 16 0.933 8.283 5.511 1.00 0.00 C ATOM 236 O GLU A 16 0.483 7.243 5.989 1.00 0.00 O ATOM 237 CB GLU A 16 2.766 9.706 6.499 1.00 0.00 C ATOM 238 CG GLU A 16 2.491 9.300 7.948 1.00 0.00 C ATOM 239 CD GLU A 16 3.362 8.111 8.359 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.835 7.085 8.816 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.629 8.279 8.189 1.00 0.00 O ATOM 0 H GLU A 16 3.320 9.784 4.082 1.00 0.00 H new ATOM 0 HA GLU A 16 2.946 7.668 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.813 9.988 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.171 10.583 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.686 10.144 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.438 9.041 8.063 1.00 0.00 H new ATOM 249 N ARG A 17 0.198 9.230 4.947 1.00 0.00 N ATOM 250 CA ARG A 17 -1.246 9.100 4.852 1.00 0.00 C ATOM 251 C ARG A 17 -1.615 7.803 4.128 1.00 0.00 C ATOM 252 O ARG A 17 -2.704 7.267 4.325 1.00 0.00 O ATOM 253 CB ARG A 17 -1.858 10.285 4.103 1.00 0.00 C ATOM 254 CG ARG A 17 -3.237 10.635 4.664 1.00 0.00 C ATOM 255 CD ARG A 17 -4.346 10.214 3.698 1.00 0.00 C ATOM 256 NE ARG A 17 -5.304 11.327 3.510 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.381 11.539 4.295 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.648 10.714 5.330 1.00 0.00 N ATOM 259 NH2 ARG A 17 -7.170 12.565 4.036 1.00 0.00 N ATOM 0 H ARG A 17 0.576 10.091 4.551 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.645 9.081 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.199 11.150 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.943 10.045 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.379 10.139 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.297 11.708 4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.915 9.929 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.865 9.338 4.087 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.140 11.974 2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.033 9.923 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.464 10.882 5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.962 13.184 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.988 12.739 4.620 1.00 0.00 H new ATOM 272 N THR A 18 -0.686 7.336 3.307 1.00 0.00 N ATOM 273 CA THR A 18 -0.900 6.112 2.554 1.00 0.00 C ATOM 274 C THR A 18 -0.446 4.899 3.367 1.00 0.00 C ATOM 275 O THR A 18 -1.033 3.823 3.264 1.00 0.00 O ATOM 276 CB THR A 18 -0.176 6.250 1.213 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.781 7.388 0.606 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.496 5.102 0.253 1.00 0.00 C ATOM 0 H THR A 18 0.217 7.783 3.147 1.00 0.00 H new ATOM 0 HA THR A 18 -1.959 5.951 2.354 1.00 0.00 H new ATOM 0 HB THR A 18 0.900 6.290 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.253 8.188 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.043 5.249 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.192 4.157 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.568 5.081 0.055 1.00 0.00 H new ATOM 286 N ALA A 19 0.594 5.113 4.159 1.00 0.00 N ATOM 287 CA ALA A 19 1.133 4.050 4.991 1.00 0.00 C ATOM 288 C ALA A 19 0.233 3.858 6.213 1.00 0.00 C ATOM 289 O ALA A 19 -0.001 2.730 6.645 1.00 0.00 O ATOM 290 CB ALA A 19 2.576 4.384 5.376 1.00 0.00 C ATOM 0 H ALA A 19 1.078 6.007 4.242 1.00 0.00 H new ATOM 0 HA ALA A 19 1.152 3.107 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.980 3.587 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.180 4.480 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.597 5.323 5.929 1.00 0.00 H new ATOM 296 N GLU A 20 -0.248 4.977 6.735 1.00 0.00 N ATOM 297 CA GLU A 20 -1.117 4.946 7.899 1.00 0.00 C ATOM 298 C GLU A 20 -2.353 4.089 7.616 1.00 0.00 C ATOM 299 O GLU A 20 -2.880 3.438 8.516 1.00 0.00 O ATOM 300 CB GLU A 20 -1.516 6.361 8.323 1.00 0.00 C ATOM 301 CG GLU A 20 -2.538 6.956 7.353 1.00 0.00 C ATOM 302 CD GLU A 20 -3.198 8.202 7.948 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.691 9.319 7.767 1.00 0.00 O ATOM 304 OE2 GLU A 20 -4.278 7.980 8.618 1.00 0.00 O ATOM 0 H GLU A 20 -0.052 5.910 6.373 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.568 4.495 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.934 6.339 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.631 6.997 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.047 7.213 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.300 6.212 7.121 1.00 0.00 H new ATOM 312 N LEU A 21 -2.779 4.118 6.362 1.00 0.00 N ATOM 313 CA LEU A 21 -3.942 3.352 5.949 1.00 0.00 C ATOM 314 C LEU A 21 -3.561 1.875 5.836 1.00 0.00 C ATOM 315 O LEU A 21 -4.272 1.006 6.340 1.00 0.00 O ATOM 316 CB LEU A 21 -4.539 3.933 4.666 1.00 0.00 C ATOM 317 CG LEU A 21 -5.838 4.725 4.828 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.550 6.181 5.201 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.707 4.616 3.574 1.00 0.00 C ATOM 0 H LEU A 21 -2.339 4.660 5.618 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.730 3.422 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.796 4.583 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.721 3.114 3.970 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.404 4.288 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.490 6.721 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.001 6.214 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.953 6.646 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.624 5.188 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.161 5.012 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.956 3.570 3.394 1.00 0.00 H new ATOM 331 N VAL A 22 -2.441 1.635 5.171 1.00 0.00 N ATOM 332 CA VAL A 22 -1.957 0.277 4.985 1.00 0.00 C ATOM 333 C VAL A 22 -1.950 -0.446 6.333 1.00 0.00 C ATOM 334 O VAL A 22 -2.701 -1.399 6.534 1.00 0.00 O ATOM 335 CB VAL A 22 -0.584 0.299 4.311 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.140 -1.036 4.498 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.707 0.652 2.827 1.00 0.00 C ATOM 0 H VAL A 22 -1.854 2.358 4.754 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.621 -0.278 4.322 1.00 0.00 H new ATOM 0 HB VAL A 22 0.012 1.074 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.113 -0.994 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.276 -1.230 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.453 -1.837 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.283 0.661 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.330 -0.090 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.162 1.637 2.724 1.00 0.00 H new ATOM 347 N ARG A 23 -1.093 0.035 7.222 1.00 0.00 N ATOM 348 CA ARG A 23 -0.978 -0.554 8.545 1.00 0.00 C ATOM 349 C ARG A 23 -2.363 -0.901 9.094 1.00 0.00 C ATOM 350 O ARG A 23 -2.550 -1.958 9.695 1.00 0.00 O ATOM 351 CB ARG A 23 -0.277 0.401 9.514 1.00 0.00 C ATOM 352 CG ARG A 23 1.224 0.472 9.224 1.00 0.00 C ATOM 353 CD ARG A 23 2.025 0.632 10.518 1.00 0.00 C ATOM 354 NE ARG A 23 3.131 -0.351 10.554 1.00 0.00 N ATOM 355 CZ ARG A 23 2.961 -1.674 10.765 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.727 -2.184 10.961 1.00 0.00 N ATOM 357 NH2 ARG A 23 4.021 -2.461 10.776 1.00 0.00 N ATOM 0 H ARG A 23 -0.472 0.826 7.052 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.382 -1.462 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.715 1.396 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.438 0.067 10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.541 -0.433 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.430 1.310 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.425 1.644 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.372 0.489 11.379 1.00 0.00 H new ATOM 0 HE ARG A 23 4.081 -0.008 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.913 -1.569 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.608 -3.185 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.950 -2.067 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.911 -3.463 10.934 1.00 0.00 H new ATOM 370 N LEU A 24 -3.299 0.010 8.869 1.00 0.00 N ATOM 371 CA LEU A 24 -4.661 -0.186 9.333 1.00 0.00 C ATOM 372 C LEU A 24 -5.333 -1.269 8.487 1.00 0.00 C ATOM 373 O LEU A 24 -6.004 -2.152 9.020 1.00 0.00 O ATOM 374 CB LEU A 24 -5.419 1.143 9.346 1.00 0.00 C ATOM 375 CG LEU A 24 -6.487 1.296 10.432 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.453 2.699 11.041 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.873 0.939 9.892 1.00 0.00 C ATOM 0 H LEU A 24 -3.140 0.886 8.371 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.665 -0.539 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.695 1.950 9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.895 1.276 8.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.262 0.592 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.222 2.781 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.474 2.879 11.486 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.639 3.438 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.613 1.056 10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.122 1.600 9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.873 -0.094 9.545 1.00 0.00 H new ATOM 389 N VAL A 25 -5.131 -1.165 7.181 1.00 0.00 N ATOM 390 CA VAL A 25 -5.709 -2.125 6.256 1.00 0.00 C ATOM 391 C VAL A 25 -5.134 -3.513 6.543 1.00 0.00 C ATOM 392 O VAL A 25 -5.816 -4.521 6.360 1.00 0.00 O ATOM 393 CB VAL A 25 -5.475 -1.667 4.814 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.794 -2.790 3.825 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.289 -0.411 4.499 1.00 0.00 C ATOM 0 H VAL A 25 -4.575 -0.431 6.742 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.789 -2.186 6.393 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.419 -1.417 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.620 -2.439 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.152 -3.647 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.838 -3.085 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.105 -0.107 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.350 -0.623 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.993 0.393 5.173 1.00 0.00 H new ATOM 405 N ARG A 26 -3.887 -3.522 6.988 1.00 0.00 N ATOM 406 CA ARG A 26 -3.213 -4.771 7.302 1.00 0.00 C ATOM 407 C ARG A 26 -3.811 -5.394 8.565 1.00 0.00 C ATOM 408 O ARG A 26 -4.265 -6.537 8.542 1.00 0.00 O ATOM 409 CB ARG A 26 -1.713 -4.550 7.512 1.00 0.00 C ATOM 410 CG ARG A 26 -1.147 -3.594 6.460 1.00 0.00 C ATOM 411 CD ARG A 26 0.130 -4.160 5.836 1.00 0.00 C ATOM 412 NE ARG A 26 -0.170 -5.424 5.127 1.00 0.00 N ATOM 413 CZ ARG A 26 -0.607 -5.491 3.852 1.00 0.00 C ATOM 414 NH1 ARG A 26 -0.799 -4.365 3.133 1.00 0.00 N ATOM 415 NH2 ARG A 26 -0.844 -6.675 3.318 1.00 0.00 N ATOM 0 H ARG A 26 -3.325 -2.684 7.139 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.355 -5.446 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.538 -4.145 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.190 -5.505 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.891 -3.422 5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.935 -2.628 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.557 -3.436 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.876 -4.336 6.611 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.038 -6.299 5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.614 -3.454 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.130 -4.425 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.696 -7.521 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.175 -6.743 2.356 1.00 0.00 H new ATOM 428 N THR A 27 -3.793 -4.615 9.636 1.00 0.00 N ATOM 429 CA THR A 27 -4.329 -5.076 10.906 1.00 0.00 C ATOM 430 C THR A 27 -5.850 -5.220 10.823 1.00 0.00 C ATOM 431 O THR A 27 -6.437 -6.051 11.514 1.00 0.00 O ATOM 432 CB THR A 27 -3.870 -4.103 11.994 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.484 -3.909 11.724 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.893 -4.731 13.389 1.00 0.00 C ATOM 0 H THR A 27 -3.416 -3.667 9.651 1.00 0.00 H new ATOM 0 HA THR A 27 -3.953 -6.068 11.157 1.00 0.00 H new ATOM 0 HB THR A 27 -4.508 -3.219 11.983 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.371 -3.132 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.558 -3.998 14.123 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.908 -5.048 13.629 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.229 -5.595 13.410 1.00 0.00 H new ATOM 442 N SER A 28 -6.444 -4.398 9.970 1.00 0.00 N ATOM 443 CA SER A 28 -7.885 -4.424 9.787 1.00 0.00 C ATOM 444 C SER A 28 -8.309 -5.753 9.158 1.00 0.00 C ATOM 445 O SER A 28 -9.263 -6.382 9.612 1.00 0.00 O ATOM 446 CB SER A 28 -8.351 -3.253 8.920 1.00 0.00 C ATOM 447 OG SER A 28 -9.710 -3.397 8.513 1.00 0.00 O ATOM 0 H SER A 28 -5.954 -3.710 9.398 1.00 0.00 H new ATOM 0 HA SER A 28 -8.356 -4.326 10.765 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.236 -2.322 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.714 -3.179 8.038 1.00 0.00 H new ATOM 0 HG SER A 28 -10.189 -3.953 9.163 1.00 0.00 H new ATOM 453 N THR A 29 -7.580 -6.140 8.122 1.00 0.00 N ATOM 454 CA THR A 29 -7.869 -7.382 7.425 1.00 0.00 C ATOM 455 C THR A 29 -7.579 -8.580 8.331 1.00 0.00 C ATOM 456 O THR A 29 -8.470 -9.382 8.609 1.00 0.00 O ATOM 457 CB THR A 29 -7.062 -7.394 6.126 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.546 -6.263 5.406 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.412 -8.583 5.230 1.00 0.00 C ATOM 0 H THR A 29 -6.789 -5.615 7.748 1.00 0.00 H new ATOM 0 HA THR A 29 -8.926 -7.455 7.168 1.00 0.00 H new ATOM 0 HB THR A 29 -5.998 -7.417 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.935 -5.507 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.811 -8.543 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.206 -9.512 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.469 -8.542 4.968 1.00 0.00 H new ATOM 467 N ALA A 30 -6.331 -8.665 8.766 1.00 0.00 N ATOM 468 CA ALA A 30 -5.913 -9.752 9.635 1.00 0.00 C ATOM 469 C ALA A 30 -6.886 -9.863 10.810 1.00 0.00 C ATOM 470 O ALA A 30 -7.215 -10.965 11.246 1.00 0.00 O ATOM 471 CB ALA A 30 -4.471 -9.516 10.091 1.00 0.00 C ATOM 0 H ALA A 30 -5.595 -7.998 8.533 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.934 -10.701 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.157 -10.331 10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.816 -9.475 9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.411 -8.573 10.635 1.00 0.00 H new ATOM 477 N THR A 31 -7.318 -8.706 11.290 1.00 0.00 N ATOM 478 CA THR A 31 -8.246 -8.659 12.407 1.00 0.00 C ATOM 479 C THR A 31 -9.566 -9.335 12.032 1.00 0.00 C ATOM 480 O THR A 31 -10.152 -10.054 12.840 1.00 0.00 O ATOM 481 CB THR A 31 -8.410 -7.196 12.825 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.244 -6.923 13.597 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.564 -6.994 13.809 1.00 0.00 C ATOM 0 H THR A 31 -7.042 -7.794 10.926 1.00 0.00 H new ATOM 0 HA THR A 31 -7.863 -9.215 13.263 1.00 0.00 H new ATOM 0 HB THR A 31 -8.576 -6.582 11.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.505 -6.682 13.000 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.637 -5.939 14.073 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.497 -7.317 13.347 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.382 -7.582 14.709 1.00 0.00 H new ATOM 491 N VAL A 32 -9.997 -9.081 10.805 1.00 0.00 N ATOM 492 CA VAL A 32 -11.237 -9.656 10.312 1.00 0.00 C ATOM 493 C VAL A 32 -11.160 -11.181 10.408 1.00 0.00 C ATOM 494 O VAL A 32 -12.184 -11.862 10.364 1.00 0.00 O ATOM 495 CB VAL A 32 -11.516 -9.160 8.892 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.853 -9.697 8.377 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.477 -7.632 8.827 1.00 0.00 C ATOM 0 H VAL A 32 -9.509 -8.484 10.137 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.078 -9.333 10.926 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.729 -9.543 8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.027 -9.330 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.828 -10.787 8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.657 -9.358 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.679 -7.306 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.233 -7.220 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.492 -7.280 9.132 1.00 0.00 H new ATOM 507 N LEU A 33 -9.937 -11.674 10.539 1.00 0.00 N ATOM 508 CA LEU A 33 -9.713 -13.105 10.642 1.00 0.00 C ATOM 509 C LEU A 33 -9.421 -13.468 12.100 1.00 0.00 C ATOM 510 O LEU A 33 -8.719 -14.440 12.372 1.00 0.00 O ATOM 511 CB LEU A 33 -8.621 -13.549 9.667 1.00 0.00 C ATOM 512 CG LEU A 33 -8.998 -13.531 8.184 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.483 -13.846 7.992 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.604 -12.203 7.534 1.00 0.00 C ATOM 0 H LEU A 33 -9.090 -11.107 10.576 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.609 -13.652 10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.752 -12.906 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.315 -14.561 9.931 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.435 -14.316 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.725 -13.827 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.700 -14.835 8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.083 -13.101 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.883 -12.217 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.121 -11.385 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.527 -12.060 7.622 1.00 0.00 H new ATOM 526 N GLY A 34 -9.974 -12.667 12.998 1.00 0.00 N ATOM 527 CA GLY A 34 -9.782 -12.891 14.420 1.00 0.00 C ATOM 528 C GLY A 34 -8.379 -13.430 14.705 1.00 0.00 C ATOM 529 O GLY A 34 -8.228 -14.474 15.339 1.00 0.00 O ATOM 0 H GLY A 34 -10.556 -11.861 12.768 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.934 -11.958 14.963 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.528 -13.597 14.785 1.00 0.00 H new ATOM 533 N HIS A 35 -7.388 -12.695 14.223 1.00 0.00 N ATOM 534 CA HIS A 35 -6.002 -13.087 14.418 1.00 0.00 C ATOM 535 C HIS A 35 -5.121 -11.838 14.492 1.00 0.00 C ATOM 536 O HIS A 35 -5.044 -11.071 13.534 1.00 0.00 O ATOM 537 CB HIS A 35 -5.555 -14.064 13.329 1.00 0.00 C ATOM 538 CG HIS A 35 -6.236 -15.410 13.394 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.363 -16.130 14.569 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.827 -16.158 12.418 1.00 0.00 C ATOM 541 CE1 HIS A 35 -7.002 -17.259 14.301 1.00 0.00 C ATOM 542 NE2 HIS A 35 -7.288 -17.275 12.968 1.00 0.00 N ATOM 0 H HIS A 35 -7.517 -11.830 13.698 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.900 -13.618 15.365 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.748 -13.618 12.353 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.477 -14.209 13.406 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.906 -15.888 11.375 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.252 -18.031 15.013 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.776 -18.022 12.474 1.00 0.00 H new ATOM 550 N ASP A 36 -4.479 -11.673 15.639 1.00 0.00 N ATOM 551 CA ASP A 36 -3.607 -10.530 15.851 1.00 0.00 C ATOM 552 C ASP A 36 -2.166 -10.926 15.522 1.00 0.00 C ATOM 553 O ASP A 36 -1.315 -10.978 16.409 1.00 0.00 O ATOM 554 CB ASP A 36 -3.649 -10.067 17.308 1.00 0.00 C ATOM 555 CG ASP A 36 -3.740 -11.192 18.342 1.00 0.00 C ATOM 556 OD1 ASP A 36 -2.785 -11.958 18.538 1.00 0.00 O ATOM 557 OD2 ASP A 36 -4.865 -11.266 18.969 1.00 0.00 O ATOM 0 H ASP A 36 -4.545 -12.312 16.431 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.949 -9.721 15.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.755 -9.478 17.512 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.504 -9.404 17.438 1.00 0.00 H new ATOM 563 N ASP A 37 -1.936 -11.195 14.245 1.00 0.00 N ATOM 564 CA ASP A 37 -0.613 -11.585 13.789 1.00 0.00 C ATOM 565 C ASP A 37 -0.469 -11.244 12.305 1.00 0.00 C ATOM 566 O ASP A 37 -0.787 -12.061 11.442 1.00 0.00 O ATOM 567 CB ASP A 37 -0.396 -13.091 13.951 1.00 0.00 C ATOM 568 CG ASP A 37 -1.633 -13.954 13.693 1.00 0.00 C ATOM 569 OD1 ASP A 37 -2.401 -13.703 12.753 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.795 -14.933 14.516 1.00 0.00 O ATOM 0 H ASP A 37 -2.644 -11.150 13.512 1.00 0.00 H new ATOM 0 HA ASP A 37 0.122 -11.048 14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.395 -13.404 13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.041 -13.285 14.963 1.00 0.00 H new ATOM 576 N PRO A 38 0.023 -10.002 12.045 1.00 0.00 N ATOM 577 CA PRO A 38 0.213 -9.543 10.680 1.00 0.00 C ATOM 578 C PRO A 38 1.440 -10.200 10.046 1.00 0.00 C ATOM 579 O PRO A 38 1.624 -10.139 8.831 1.00 0.00 O ATOM 580 CB PRO A 38 0.336 -8.032 10.787 1.00 0.00 C ATOM 581 CG PRO A 38 0.677 -7.743 12.240 1.00 0.00 C ATOM 582 CD PRO A 38 0.410 -9.008 13.041 1.00 0.00 C ATOM 0 HA PRO A 38 -0.614 -9.816 10.025 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.113 -7.655 10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.595 -7.543 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.721 -7.444 12.335 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.073 -6.918 12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.297 -9.323 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.382 -8.853 13.774 1.00 0.00 H new ATOM 590 N LYS A 39 2.249 -10.814 10.897 1.00 0.00 N ATOM 591 CA LYS A 39 3.454 -11.482 10.435 1.00 0.00 C ATOM 592 C LYS A 39 3.119 -12.344 9.217 1.00 0.00 C ATOM 593 O LYS A 39 3.988 -12.627 8.394 1.00 0.00 O ATOM 594 CB LYS A 39 4.107 -12.260 11.579 1.00 0.00 C ATOM 595 CG LYS A 39 5.606 -11.962 11.660 1.00 0.00 C ATOM 596 CD LYS A 39 5.889 -10.851 12.673 1.00 0.00 C ATOM 597 CE LYS A 39 6.221 -9.535 11.966 1.00 0.00 C ATOM 598 NZ LYS A 39 7.664 -9.469 11.644 1.00 0.00 N ATOM 0 H LYS A 39 2.094 -10.863 11.904 1.00 0.00 H new ATOM 0 HA LYS A 39 4.196 -10.751 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.629 -11.996 12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.953 -13.329 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.145 -12.865 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.976 -11.667 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.021 -10.712 13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.720 -11.143 13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.634 -9.449 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.946 -8.694 12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.872 -8.570 11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.219 -9.530 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.917 -10.261 11.019 1.00 0.00 H new ATOM 611 N ALA A 40 1.856 -12.739 9.141 1.00 0.00 N ATOM 612 CA ALA A 40 1.396 -13.564 8.037 1.00 0.00 C ATOM 613 C ALA A 40 0.961 -12.662 6.879 1.00 0.00 C ATOM 614 O ALA A 40 -0.074 -12.899 6.258 1.00 0.00 O ATOM 615 CB ALA A 40 0.268 -14.478 8.519 1.00 0.00 C ATOM 0 H ALA A 40 1.138 -12.503 9.826 1.00 0.00 H new ATOM 0 HA ALA A 40 2.201 -14.203 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.077 -15.097 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.636 -15.117 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.559 -13.872 8.888 1.00 0.00 H new ATOM 621 N VAL A 41 1.774 -11.647 6.624 1.00 0.00 N ATOM 622 CA VAL A 41 1.486 -10.710 5.552 1.00 0.00 C ATOM 623 C VAL A 41 2.793 -10.074 5.072 1.00 0.00 C ATOM 624 O VAL A 41 3.739 -9.933 5.845 1.00 0.00 O ATOM 625 CB VAL A 41 0.457 -9.679 6.020 1.00 0.00 C ATOM 626 CG1 VAL A 41 0.352 -8.519 5.028 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.908 -10.331 6.248 1.00 0.00 C ATOM 0 H VAL A 41 2.632 -11.453 7.141 1.00 0.00 H new ATOM 0 HA VAL A 41 1.044 -11.228 4.701 1.00 0.00 H new ATOM 0 HB VAL A 41 0.798 -9.274 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.386 -7.801 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.321 -8.029 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.046 -8.900 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.621 -9.576 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.259 -10.776 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.819 -11.106 7.010 1.00 0.00 H new ATOM 637 N ARG A 42 2.803 -9.708 3.799 1.00 0.00 N ATOM 638 CA ARG A 42 3.977 -9.091 3.206 1.00 0.00 C ATOM 639 C ARG A 42 3.566 -7.929 2.299 1.00 0.00 C ATOM 640 O ARG A 42 4.154 -7.728 1.238 1.00 0.00 O ATOM 641 CB ARG A 42 4.781 -10.106 2.391 1.00 0.00 C ATOM 642 CG ARG A 42 5.967 -10.640 3.196 1.00 0.00 C ATOM 643 CD ARG A 42 6.458 -11.974 2.630 1.00 0.00 C ATOM 644 NE ARG A 42 7.348 -12.642 3.606 1.00 0.00 N ATOM 645 CZ ARG A 42 8.308 -13.529 3.271 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.512 -13.863 1.979 1.00 0.00 N ATOM 647 NH2 ARG A 42 9.046 -14.065 4.226 1.00 0.00 N ATOM 0 H ARG A 42 2.016 -9.827 3.161 1.00 0.00 H new ATOM 0 HA ARG A 42 4.601 -8.719 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.136 -10.933 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.140 -9.639 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.779 -9.913 3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.675 -10.768 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.608 -12.617 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.991 -11.807 1.694 1.00 0.00 H new ATOM 0 HE ARG A 42 7.228 -12.418 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.938 -13.444 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.240 -14.534 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.886 -13.807 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.776 -14.737 3.990 1.00 0.00 H new ATOM 660 N ALA A 43 2.560 -7.195 2.751 1.00 0.00 N ATOM 661 CA ALA A 43 2.064 -6.059 1.994 1.00 0.00 C ATOM 662 C ALA A 43 1.341 -6.562 0.743 1.00 0.00 C ATOM 663 O ALA A 43 0.160 -6.276 0.547 1.00 0.00 O ATOM 664 CB ALA A 43 3.226 -5.122 1.658 1.00 0.00 C ATOM 0 H ALA A 43 2.075 -7.365 3.632 1.00 0.00 H new ATOM 0 HA ALA A 43 1.346 -5.489 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.853 -4.270 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.688 -4.770 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.966 -5.658 1.064 1.00 0.00 H new ATOM 670 N THR A 44 2.079 -7.302 -0.071 1.00 0.00 N ATOM 671 CA THR A 44 1.522 -7.848 -1.297 1.00 0.00 C ATOM 672 C THR A 44 1.064 -9.291 -1.079 1.00 0.00 C ATOM 673 O THR A 44 1.322 -10.161 -1.910 1.00 0.00 O ATOM 674 CB THR A 44 2.575 -7.705 -2.399 1.00 0.00 C ATOM 675 OG1 THR A 44 3.679 -8.472 -1.926 1.00 0.00 O ATOM 676 CG2 THR A 44 3.126 -6.281 -2.500 1.00 0.00 C ATOM 0 H THR A 44 3.058 -7.536 0.094 1.00 0.00 H new ATOM 0 HA THR A 44 0.631 -7.300 -1.605 1.00 0.00 H new ATOM 0 HB THR A 44 2.141 -7.995 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.407 -8.435 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.869 -6.234 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.312 -5.591 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.590 -6.003 -1.554 1.00 0.00 H new ATOM 684 N THR A 45 0.392 -9.501 0.043 1.00 0.00 N ATOM 685 CA THR A 45 -0.105 -10.824 0.381 1.00 0.00 C ATOM 686 C THR A 45 -1.503 -11.034 -0.203 1.00 0.00 C ATOM 687 O THR A 45 -2.278 -10.087 -0.325 1.00 0.00 O ATOM 688 CB THR A 45 -0.054 -10.974 1.903 1.00 0.00 C ATOM 689 OG1 THR A 45 0.938 -11.973 2.120 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.333 -11.589 2.474 1.00 0.00 C ATOM 0 H THR A 45 0.180 -8.777 0.730 1.00 0.00 H new ATOM 0 HA THR A 45 0.517 -11.604 -0.058 1.00 0.00 H new ATOM 0 HB THR A 45 0.114 -9.998 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.729 -12.469 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.244 -11.673 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.184 -10.953 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.484 -12.579 2.044 1.00 0.00 H new ATOM 698 N PRO A 46 -1.791 -12.315 -0.559 1.00 0.00 N ATOM 699 CA PRO A 46 -3.083 -12.661 -1.128 1.00 0.00 C ATOM 700 C PRO A 46 -4.169 -12.680 -0.051 1.00 0.00 C ATOM 701 O PRO A 46 -4.185 -13.563 0.805 1.00 0.00 O ATOM 702 CB PRO A 46 -2.873 -14.017 -1.783 1.00 0.00 C ATOM 703 CG PRO A 46 -1.609 -14.589 -1.162 1.00 0.00 C ATOM 704 CD PRO A 46 -0.898 -13.463 -0.430 1.00 0.00 C ATOM 0 HA PRO A 46 -3.431 -11.930 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.726 -14.672 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.767 -13.917 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.854 -15.397 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.963 -15.012 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.728 -13.716 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.077 -13.258 -0.871 1.00 0.00 H new ATOM 712 N PHE A 47 -5.051 -11.694 -0.128 1.00 0.00 N ATOM 713 CA PHE A 47 -6.138 -11.585 0.830 1.00 0.00 C ATOM 714 C PHE A 47 -7.010 -12.843 0.814 1.00 0.00 C ATOM 715 O PHE A 47 -7.577 -13.222 1.837 1.00 0.00 O ATOM 716 CB PHE A 47 -6.988 -10.385 0.408 1.00 0.00 C ATOM 717 CG PHE A 47 -7.927 -10.668 -0.766 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.006 -11.477 -0.593 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.682 -10.111 -1.982 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.878 -11.740 -1.683 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.553 -10.374 -3.072 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.633 -11.183 -2.899 1.00 0.00 C ATOM 0 H PHE A 47 -5.035 -10.963 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.737 -11.465 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.580 -10.054 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.327 -9.561 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.200 -11.920 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.825 -9.468 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.735 -12.382 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.358 -9.932 -4.038 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.296 -11.383 -3.728 1.00 0.00 H new ATOM 732 N LYS A 48 -7.090 -13.454 -0.359 1.00 0.00 N ATOM 733 CA LYS A 48 -7.883 -14.660 -0.522 1.00 0.00 C ATOM 734 C LYS A 48 -7.397 -15.722 0.466 1.00 0.00 C ATOM 735 O LYS A 48 -8.188 -16.524 0.960 1.00 0.00 O ATOM 736 CB LYS A 48 -7.863 -15.122 -1.981 1.00 0.00 C ATOM 737 CG LYS A 48 -8.852 -16.267 -2.207 1.00 0.00 C ATOM 738 CD LYS A 48 -8.118 -17.566 -2.549 1.00 0.00 C ATOM 739 CE LYS A 48 -8.943 -18.786 -2.136 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.067 -19.735 -3.265 1.00 0.00 N ATOM 0 H LYS A 48 -6.618 -13.136 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.929 -14.462 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.113 -14.286 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.858 -15.447 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.457 -16.412 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.536 -16.008 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.917 -17.604 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.153 -17.587 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.471 -19.281 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.933 -18.469 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.630 -20.557 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.538 -19.264 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.121 -20.051 -3.558 1.00 0.00 H new ATOM 753 N GLU A 49 -6.098 -15.693 0.725 1.00 0.00 N ATOM 754 CA GLU A 49 -5.497 -16.644 1.645 1.00 0.00 C ATOM 755 C GLU A 49 -5.810 -16.253 3.091 1.00 0.00 C ATOM 756 O GLU A 49 -5.401 -16.940 4.026 1.00 0.00 O ATOM 757 CB GLU A 49 -3.987 -16.746 1.419 1.00 0.00 C ATOM 758 CG GLU A 49 -3.660 -17.826 0.386 1.00 0.00 C ATOM 759 CD GLU A 49 -3.609 -19.210 1.037 1.00 0.00 C ATOM 760 OE1 GLU A 49 -4.413 -20.088 0.690 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.692 -19.358 1.933 1.00 0.00 O ATOM 0 H GLU A 49 -5.445 -15.026 0.314 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.927 -17.627 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.600 -15.785 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.489 -16.976 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.412 -17.819 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.702 -17.606 -0.085 1.00 0.00 H new ATOM 769 N LEU A 50 -6.532 -15.151 3.229 1.00 0.00 N ATOM 770 CA LEU A 50 -6.905 -14.661 4.545 1.00 0.00 C ATOM 771 C LEU A 50 -8.395 -14.916 4.777 1.00 0.00 C ATOM 772 O LEU A 50 -9.033 -14.219 5.565 1.00 0.00 O ATOM 773 CB LEU A 50 -6.500 -13.194 4.705 1.00 0.00 C ATOM 774 CG LEU A 50 -5.024 -12.935 5.010 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.305 -12.354 3.790 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.867 -12.045 6.244 1.00 0.00 C ATOM 0 H LEU A 50 -6.869 -14.583 2.451 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.364 -15.204 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.759 -12.664 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.098 -12.758 5.505 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.551 -13.890 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.257 -12.179 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.372 -13.057 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.773 -11.412 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.808 -11.877 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.360 -11.089 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.321 -12.534 7.106 1.00 0.00 H new ATOM 788 N GLY A 51 -8.908 -15.917 4.077 1.00 0.00 N ATOM 789 CA GLY A 51 -10.311 -16.273 4.196 1.00 0.00 C ATOM 790 C GLY A 51 -11.207 -15.052 3.979 1.00 0.00 C ATOM 791 O GLY A 51 -11.709 -14.467 4.937 1.00 0.00 O ATOM 0 H GLY A 51 -8.376 -16.493 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.557 -17.044 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.500 -16.696 5.182 1.00 0.00 H new ATOM 795 N PHE A 52 -11.380 -14.703 2.712 1.00 0.00 N ATOM 796 CA PHE A 52 -12.207 -13.563 2.356 1.00 0.00 C ATOM 797 C PHE A 52 -12.953 -13.814 1.045 1.00 0.00 C ATOM 798 O PHE A 52 -12.430 -14.468 0.144 1.00 0.00 O ATOM 799 CB PHE A 52 -11.267 -12.369 2.174 1.00 0.00 C ATOM 800 CG PHE A 52 -11.321 -11.354 3.318 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.802 -11.672 4.534 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.888 -10.134 3.119 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.851 -10.731 5.596 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.938 -9.193 4.181 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.419 -9.511 5.397 1.00 0.00 C ATOM 0 H PHE A 52 -10.961 -15.190 1.920 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.948 -13.383 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.245 -12.736 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.515 -11.863 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.352 -12.641 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.300 -9.881 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.438 -10.984 6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.388 -8.224 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.458 -8.795 6.205 1.00 0.00 H new ATOM 815 N ASP A 53 -14.164 -13.281 0.979 1.00 0.00 N ATOM 816 CA ASP A 53 -14.988 -13.439 -0.208 1.00 0.00 C ATOM 817 C ASP A 53 -16.027 -12.317 -0.256 1.00 0.00 C ATOM 818 O ASP A 53 -15.845 -11.327 -0.962 1.00 0.00 O ATOM 819 CB ASP A 53 -15.734 -14.774 -0.186 1.00 0.00 C ATOM 820 CG ASP A 53 -14.930 -15.973 -0.693 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.578 -16.878 0.079 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.661 -15.955 -1.954 1.00 0.00 O ATOM 0 H ASP A 53 -14.595 -12.739 1.728 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.334 -13.405 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.055 -14.977 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.636 -14.679 -0.790 1.00 0.00 H new ATOM 828 N SER A 54 -17.094 -12.510 0.506 1.00 0.00 N ATOM 829 CA SER A 54 -18.163 -11.526 0.559 1.00 0.00 C ATOM 830 C SER A 54 -18.345 -11.029 1.995 1.00 0.00 C ATOM 831 O SER A 54 -18.113 -9.856 2.283 1.00 0.00 O ATOM 832 CB SER A 54 -19.474 -12.109 0.029 1.00 0.00 C ATOM 833 OG SER A 54 -19.437 -13.532 -0.042 1.00 0.00 O ATOM 0 H SER A 54 -17.241 -13.332 1.091 1.00 0.00 H new ATOM 0 HA SER A 54 -17.887 -10.685 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.295 -11.800 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.677 -11.702 -0.962 1.00 0.00 H new ATOM 0 HG SER A 54 -20.293 -13.865 -0.383 1.00 0.00 H new ATOM 839 N LEU A 55 -18.757 -11.946 2.857 1.00 0.00 N ATOM 840 CA LEU A 55 -18.973 -11.616 4.256 1.00 0.00 C ATOM 841 C LEU A 55 -17.713 -10.955 4.819 1.00 0.00 C ATOM 842 O LEU A 55 -17.746 -9.795 5.227 1.00 0.00 O ATOM 843 CB LEU A 55 -19.420 -12.853 5.036 1.00 0.00 C ATOM 844 CG LEU A 55 -20.923 -12.975 5.296 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.365 -14.440 5.283 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.313 -12.271 6.598 1.00 0.00 C ATOM 0 H LEU A 55 -18.947 -12.918 2.614 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.784 -10.895 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.092 -13.739 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.904 -12.859 5.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.451 -12.472 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.437 -14.498 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.142 -14.879 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.831 -14.988 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.386 -12.373 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.776 -12.724 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.055 -11.214 6.532 1.00 0.00 H new ATOM 858 N ALA A 56 -16.633 -11.723 4.824 1.00 0.00 N ATOM 859 CA ALA A 56 -15.365 -11.226 5.330 1.00 0.00 C ATOM 860 C ALA A 56 -14.940 -10.001 4.519 1.00 0.00 C ATOM 861 O ALA A 56 -14.325 -9.081 5.053 1.00 0.00 O ATOM 862 CB ALA A 56 -14.323 -12.346 5.284 1.00 0.00 C ATOM 0 H ALA A 56 -16.610 -12.685 4.486 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.463 -10.914 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.372 -11.974 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.658 -13.180 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.196 -12.683 4.255 1.00 0.00 H new ATOM 868 N ALA A 57 -15.287 -10.029 3.240 1.00 0.00 N ATOM 869 CA ALA A 57 -14.949 -8.932 2.349 1.00 0.00 C ATOM 870 C ALA A 57 -15.745 -7.690 2.752 1.00 0.00 C ATOM 871 O ALA A 57 -15.292 -6.565 2.548 1.00 0.00 O ATOM 872 CB ALA A 57 -15.215 -9.350 0.901 1.00 0.00 C ATOM 0 H ALA A 57 -15.799 -10.794 2.800 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.890 -8.685 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.962 -8.527 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.604 -10.219 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.269 -9.602 0.783 1.00 0.00 H new ATOM 878 N VAL A 58 -16.918 -7.935 3.318 1.00 0.00 N ATOM 879 CA VAL A 58 -17.781 -6.850 3.753 1.00 0.00 C ATOM 880 C VAL A 58 -17.358 -6.396 5.151 1.00 0.00 C ATOM 881 O VAL A 58 -17.450 -5.214 5.478 1.00 0.00 O ATOM 882 CB VAL A 58 -19.246 -7.287 3.684 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.094 -6.524 4.703 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.803 -7.117 2.269 1.00 0.00 C ATOM 0 H VAL A 58 -17.291 -8.870 3.485 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.680 -5.992 3.089 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.292 -8.346 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.131 -6.853 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.718 -6.719 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.038 -5.455 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.845 -7.435 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.737 -6.069 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.224 -7.726 1.574 1.00 0.00 H new ATOM 894 N ARG A 59 -16.903 -7.359 5.939 1.00 0.00 N ATOM 895 CA ARG A 59 -16.466 -7.073 7.295 1.00 0.00 C ATOM 896 C ARG A 59 -15.276 -6.111 7.276 1.00 0.00 C ATOM 897 O ARG A 59 -15.142 -5.267 8.161 1.00 0.00 O ATOM 898 CB ARG A 59 -16.064 -8.355 8.026 1.00 0.00 C ATOM 899 CG ARG A 59 -16.520 -8.319 9.486 1.00 0.00 C ATOM 900 CD ARG A 59 -16.200 -9.637 10.194 1.00 0.00 C ATOM 901 NE ARG A 59 -17.390 -10.118 10.931 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.369 -11.131 11.823 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.217 -11.780 12.096 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.492 -11.478 12.424 1.00 0.00 N ATOM 0 H ARG A 59 -16.827 -8.338 5.664 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.302 -6.614 7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.504 -9.217 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.982 -8.479 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.028 -7.495 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.592 -8.129 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.887 -10.384 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.368 -9.496 10.883 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.282 -9.655 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.354 -11.506 11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.210 -12.544 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.358 -10.983 12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.494 -12.241 13.101 1.00 0.00 H new ATOM 917 N LEU A 60 -14.442 -6.270 6.259 1.00 0.00 N ATOM 918 CA LEU A 60 -13.268 -5.426 6.114 1.00 0.00 C ATOM 919 C LEU A 60 -13.708 -4.006 5.754 1.00 0.00 C ATOM 920 O LEU A 60 -13.448 -3.064 6.501 1.00 0.00 O ATOM 921 CB LEU A 60 -12.289 -6.039 5.111 1.00 0.00 C ATOM 922 CG LEU A 60 -11.080 -5.177 4.742 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.319 -4.735 5.993 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.173 -5.902 3.746 1.00 0.00 C ATOM 0 H LEU A 60 -14.556 -6.971 5.527 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.725 -5.363 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.927 -6.983 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.835 -6.274 4.197 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.442 -4.274 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.465 -4.124 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.980 -4.152 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.969 -5.613 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.322 -5.267 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.817 -6.832 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.734 -6.124 2.838 1.00 0.00 H new ATOM 936 N ARG A 61 -14.367 -3.896 4.610 1.00 0.00 N ATOM 937 CA ARG A 61 -14.845 -2.606 4.142 1.00 0.00 C ATOM 938 C ARG A 61 -15.466 -1.820 5.298 1.00 0.00 C ATOM 939 O ARG A 61 -15.197 -0.630 5.459 1.00 0.00 O ATOM 940 CB ARG A 61 -15.884 -2.774 3.031 1.00 0.00 C ATOM 941 CG ARG A 61 -15.949 -1.526 2.149 1.00 0.00 C ATOM 942 CD ARG A 61 -17.330 -0.871 2.226 1.00 0.00 C ATOM 943 NE ARG A 61 -18.065 -1.089 0.960 1.00 0.00 N ATOM 944 CZ ARG A 61 -18.862 -2.151 0.721 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.035 -3.104 1.662 1.00 0.00 N ATOM 946 NH2 ARG A 61 -19.471 -2.245 -0.447 1.00 0.00 N ATOM 0 H ARG A 61 -14.581 -4.679 3.993 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.990 -2.059 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.633 -3.642 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.863 -2.965 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.187 -0.814 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.727 -1.794 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.894 -1.289 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.225 0.197 2.416 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.963 -0.393 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.561 -3.024 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.639 -3.904 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.335 -1.521 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.077 -3.042 -0.644 1.00 0.00 H new ATOM 959 N ASN A 62 -16.286 -2.515 6.072 1.00 0.00 N ATOM 960 CA ASN A 62 -16.948 -1.897 7.208 1.00 0.00 C ATOM 961 C ASN A 62 -15.894 -1.319 8.154 1.00 0.00 C ATOM 962 O ASN A 62 -16.063 -0.221 8.682 1.00 0.00 O ATOM 963 CB ASN A 62 -17.774 -2.921 7.989 1.00 0.00 C ATOM 964 CG ASN A 62 -19.263 -2.783 7.668 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.962 -1.932 8.193 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.709 -3.667 6.779 1.00 0.00 N ATOM 0 H ASN A 62 -16.507 -3.501 5.935 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.607 -1.116 6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.437 -3.928 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.614 -2.783 9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.690 -3.658 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.070 -4.353 6.378 1.00 0.00 H new ATOM 973 N LEU A 63 -14.828 -2.085 8.340 1.00 0.00 N ATOM 974 CA LEU A 63 -13.746 -1.662 9.213 1.00 0.00 C ATOM 975 C LEU A 63 -12.945 -0.554 8.527 1.00 0.00 C ATOM 976 O LEU A 63 -12.713 0.502 9.112 1.00 0.00 O ATOM 977 CB LEU A 63 -12.898 -2.864 9.634 1.00 0.00 C ATOM 978 CG LEU A 63 -12.191 -2.745 10.987 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.811 -4.124 11.529 1.00 0.00 C ATOM 980 CD2 LEU A 63 -10.982 -1.813 10.893 1.00 0.00 C ATOM 0 H LEU A 63 -14.691 -2.995 7.901 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.144 -1.242 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.539 -3.745 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.144 -3.038 8.866 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.886 -2.300 11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.310 -4.012 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.711 -4.725 11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.140 -4.619 10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.498 -1.746 11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.275 -2.207 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.310 -0.821 10.582 1.00 0.00 H new ATOM 992 N LEU A 64 -12.545 -0.834 7.295 1.00 0.00 N ATOM 993 CA LEU A 64 -11.775 0.126 6.523 1.00 0.00 C ATOM 994 C LEU A 64 -12.429 1.505 6.634 1.00 0.00 C ATOM 995 O LEU A 64 -11.759 2.527 6.488 1.00 0.00 O ATOM 996 CB LEU A 64 -11.603 -0.359 5.082 1.00 0.00 C ATOM 997 CG LEU A 64 -10.638 -1.529 4.879 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.103 -1.556 3.446 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.509 -1.494 5.912 1.00 0.00 C ATOM 0 H LEU A 64 -12.740 -1.712 6.813 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.766 0.217 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.581 -0.650 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.259 0.479 4.476 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.188 -2.457 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.420 -2.397 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.934 -1.664 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.573 -0.626 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.837 -2.336 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.953 -0.562 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.931 -1.559 6.915 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.728 1.490 6.890 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.480 2.726 7.022 1.00 0.00 C ATOM 1013 C ASN A 65 -13.804 3.620 8.063 1.00 0.00 C ATOM 1014 O ASN A 65 -13.894 4.845 7.987 1.00 0.00 O ATOM 1015 CB ASN A 65 -15.911 2.454 7.490 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.838 3.615 7.126 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.285 4.374 7.969 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.100 3.711 5.825 1.00 0.00 N ATOM 0 H ASN A 65 -14.280 0.641 7.010 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.506 3.210 6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.278 1.535 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.921 2.301 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.708 4.454 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.693 3.042 5.172 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.143 2.974 9.012 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.453 3.695 10.068 1.00 0.00 C ATOM 1027 C ALA A 66 -11.111 4.204 9.538 1.00 0.00 C ATOM 1028 O ALA A 66 -10.559 5.171 10.062 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.291 2.785 11.287 1.00 0.00 C ATOM 0 H ALA A 66 -13.071 1.958 9.072 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.034 4.562 10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.773 3.326 12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.274 2.474 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.711 1.905 11.010 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.625 3.532 8.505 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.358 3.904 7.898 1.00 0.00 C ATOM 1037 C ALA A 67 -9.581 5.077 6.942 1.00 0.00 C ATOM 1038 O ALA A 67 -8.675 5.877 6.714 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.751 2.688 7.197 1.00 0.00 C ATOM 0 H ALA A 67 -11.086 2.731 8.073 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.649 4.229 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.801 2.967 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.585 1.894 7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.434 2.335 6.424 1.00 0.00 H new ATOM 1045 N THR A 68 -10.792 5.143 6.408 1.00 0.00 N ATOM 1046 CA THR A 68 -11.145 6.205 5.482 1.00 0.00 C ATOM 1047 C THR A 68 -12.470 6.852 5.892 1.00 0.00 C ATOM 1048 O THR A 68 -12.494 8.002 6.327 1.00 0.00 O ATOM 1049 CB THR A 68 -11.169 5.613 4.071 1.00 0.00 C ATOM 1050 OG1 THR A 68 -11.733 4.317 4.248 1.00 0.00 O ATOM 1051 CG2 THR A 68 -9.766 5.338 3.527 1.00 0.00 C ATOM 0 H THR A 68 -11.541 4.478 6.599 1.00 0.00 H new ATOM 0 HA THR A 68 -10.408 7.008 5.501 1.00 0.00 H new ATOM 0 HB THR A 68 -11.691 6.296 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.015 3.651 4.292 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.841 4.919 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.201 6.269 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.255 4.629 4.179 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.539 6.084 5.740 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.863 6.568 6.089 1.00 0.00 C ATOM 1061 C GLY A 69 -15.657 6.946 4.836 1.00 0.00 C ATOM 1062 O GLY A 69 -16.699 7.592 4.929 1.00 0.00 O ATOM 0 H GLY A 69 -13.515 5.130 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.400 5.800 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.776 7.435 6.744 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.133 6.526 3.694 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.779 6.813 2.425 1.00 0.00 C ATOM 1068 C LEU A 70 -16.617 5.605 2.000 1.00 0.00 C ATOM 1069 O LEU A 70 -16.783 4.659 2.768 1.00 0.00 O ATOM 1070 CB LEU A 70 -14.745 7.242 1.382 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.631 6.235 1.089 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -13.874 5.520 -0.242 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.258 6.909 1.135 1.00 0.00 C ATOM 0 H LEU A 70 -14.269 5.989 3.621 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.463 7.656 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.267 7.458 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.287 8.174 1.715 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.643 5.474 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.068 4.810 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.824 4.987 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.903 6.253 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.484 6.172 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.217 7.703 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.094 7.333 2.125 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.123 5.676 0.777 1.00 0.00 N ATOM 1086 CA ARG A 71 -17.939 4.600 0.241 1.00 0.00 C ATOM 1087 C ARG A 71 -17.056 3.558 -0.449 1.00 0.00 C ATOM 1088 O ARG A 71 -17.162 3.351 -1.657 1.00 0.00 O ATOM 1089 CB ARG A 71 -18.964 5.134 -0.762 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.265 5.526 -0.059 1.00 0.00 C ATOM 1091 CD ARG A 71 -20.622 6.987 -0.340 1.00 0.00 C ATOM 1092 NE ARG A 71 -21.750 7.408 0.520 1.00 0.00 N ATOM 1093 CZ ARG A 71 -22.270 8.654 0.531 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -21.765 9.614 -0.272 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.278 8.919 1.341 1.00 0.00 N ATOM 0 H ARG A 71 -16.983 6.462 0.142 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.469 4.138 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -18.553 5.999 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.169 4.375 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.074 4.879 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.162 5.373 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.756 7.623 -0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.889 7.109 -1.390 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.161 6.713 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -20.985 9.401 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -22.164 10.553 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.652 8.188 1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.683 9.855 1.362 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.206 2.929 0.349 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.305 1.913 -0.170 1.00 0.00 C ATOM 1110 C LEU A 72 -16.048 1.055 -1.195 1.00 0.00 C ATOM 1111 O LEU A 72 -17.265 0.894 -1.111 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.690 1.107 0.976 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.380 1.650 1.550 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.445 1.736 3.077 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.187 0.820 1.073 1.00 0.00 C ATOM 0 H LEU A 72 -16.122 3.103 1.351 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.466 2.377 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.420 1.046 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.516 0.090 0.626 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.237 2.664 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.501 2.125 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.257 2.401 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.623 0.743 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.268 1.227 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.309 -0.213 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.132 0.854 -0.015 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.265 0.511 -2.166 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.836 -0.326 -3.206 1.00 0.00 C ATOM 1129 C PRO A 73 -16.186 -1.713 -2.664 1.00 0.00 C ATOM 1130 O PRO A 73 -15.500 -2.230 -1.783 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.783 -0.365 -4.302 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.482 0.064 -3.644 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.821 0.680 -2.297 1.00 0.00 C ATOM 0 HA PRO A 73 -16.778 0.065 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.696 -1.366 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.046 0.305 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.819 -0.792 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.956 0.784 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.289 0.180 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.540 1.733 -2.261 1.00 0.00 H new ATOM 1141 N SER A 74 -17.252 -2.277 -3.212 1.00 0.00 N ATOM 1142 CA SER A 74 -17.701 -3.594 -2.794 1.00 0.00 C ATOM 1143 C SER A 74 -16.767 -4.668 -3.355 1.00 0.00 C ATOM 1144 O SER A 74 -16.701 -5.777 -2.826 1.00 0.00 O ATOM 1145 CB SER A 74 -19.140 -3.854 -3.245 1.00 0.00 C ATOM 1146 OG SER A 74 -19.473 -5.239 -3.192 1.00 0.00 O ATOM 0 H SER A 74 -17.818 -1.846 -3.942 1.00 0.00 H new ATOM 0 HA SER A 74 -17.677 -3.634 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.826 -3.291 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.273 -3.488 -4.263 1.00 0.00 H new ATOM 0 HG SER A 74 -20.400 -5.364 -3.486 1.00 0.00 H new ATOM 1152 N THR A 75 -16.067 -4.301 -4.419 1.00 0.00 N ATOM 1153 CA THR A 75 -15.139 -5.219 -5.057 1.00 0.00 C ATOM 1154 C THR A 75 -13.741 -5.071 -4.452 1.00 0.00 C ATOM 1155 O THR A 75 -12.804 -5.746 -4.874 1.00 0.00 O ATOM 1156 CB THR A 75 -15.179 -4.960 -6.564 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.788 -3.596 -6.692 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.601 -4.994 -7.127 1.00 0.00 C ATOM 0 H THR A 75 -16.124 -3.381 -4.855 1.00 0.00 H new ATOM 0 HA THR A 75 -15.426 -6.256 -4.883 1.00 0.00 H new ATOM 0 HB THR A 75 -14.568 -5.704 -7.076 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.785 -3.344 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.572 -4.804 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.042 -5.974 -6.944 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.204 -4.228 -6.639 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.646 -4.185 -3.472 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.379 -3.940 -2.805 1.00 0.00 C ATOM 1168 C LEU A 76 -11.631 -5.264 -2.639 1.00 0.00 C ATOM 1169 O LEU A 76 -10.529 -5.429 -3.161 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.602 -3.191 -1.489 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.367 -3.003 -0.607 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -10.799 -1.590 -0.751 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.677 -3.350 0.851 1.00 0.00 C ATOM 0 H LEU A 76 -14.426 -3.628 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.748 -3.290 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.013 -2.208 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.357 -3.726 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.597 -3.695 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.922 -1.484 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.516 -1.416 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.554 -0.862 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.782 -3.208 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.471 -2.700 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.999 -4.389 0.917 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.259 -6.175 -1.909 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.666 -7.479 -1.668 1.00 0.00 C ATOM 1187 C VAL A 77 -11.983 -8.404 -2.845 1.00 0.00 C ATOM 1188 O VAL A 77 -12.363 -9.557 -2.648 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.149 -8.033 -0.326 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.556 -9.418 -0.060 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.821 -7.068 0.815 1.00 0.00 C ATOM 0 H VAL A 77 -13.172 -6.035 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.581 -7.399 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.233 -8.136 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.915 -9.789 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.862 -10.103 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.468 -9.350 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.175 -7.485 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.743 -6.919 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.312 -6.111 0.635 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.815 -7.863 -4.043 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.078 -8.626 -5.252 1.00 0.00 C ATOM 1203 C PHE A 78 -11.237 -8.108 -6.420 1.00 0.00 C ATOM 1204 O PHE A 78 -10.683 -8.894 -7.187 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.560 -8.440 -5.584 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.227 -9.687 -6.167 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.909 -10.105 -7.422 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.139 -10.378 -5.432 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.529 -11.262 -7.964 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.759 -11.535 -5.974 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.441 -11.952 -7.229 1.00 0.00 C ATOM 0 H PHE A 78 -11.500 -6.906 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.825 -9.674 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.091 -8.146 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.663 -7.620 -6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.185 -9.557 -8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.392 -10.047 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.276 -11.594 -8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.483 -12.084 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.913 -12.831 -7.642 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.168 -6.789 -6.519 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.404 -6.157 -7.582 1.00 0.00 C ATOM 1223 C ASP A 79 -8.995 -5.845 -7.074 1.00 0.00 C ATOM 1224 O ASP A 79 -8.111 -5.504 -7.858 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.052 -4.841 -8.018 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.047 -4.587 -9.527 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.684 -3.496 -9.990 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.443 -5.581 -10.248 1.00 0.00 O ATOM 0 H ASP A 79 -11.628 -6.140 -5.881 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.373 -6.842 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.083 -4.827 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.535 -4.018 -7.524 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.830 -5.972 -5.766 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.544 -5.707 -5.145 1.00 0.00 C ATOM 1236 C HIS A 80 -6.830 -7.030 -4.860 1.00 0.00 C ATOM 1237 O HIS A 80 -7.421 -7.951 -4.299 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.712 -4.843 -3.893 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.502 -5.591 -2.598 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.355 -6.318 -2.330 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.302 -5.715 -1.501 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.471 -6.853 -1.123 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.679 -6.478 -0.611 1.00 0.00 N ATOM 0 H HIS A 80 -9.566 -6.255 -5.119 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.917 -5.135 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.007 -4.013 -3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.713 -4.412 -3.893 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.277 -5.268 -1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.739 -7.476 -0.631 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.043 -6.741 0.305 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.534 -7.084 -5.271 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.733 -8.279 -5.066 1.00 0.00 C ATOM 1253 C PRO A 81 -4.311 -8.411 -3.601 1.00 0.00 C ATOM 1254 O PRO A 81 -4.410 -9.490 -3.018 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.554 -8.129 -6.013 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.491 -6.653 -6.371 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.800 -6.013 -5.938 1.00 0.00 C ATOM 0 HA PRO A 81 -5.283 -9.196 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.628 -8.456 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.689 -8.742 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.648 -6.175 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.340 -6.526 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.627 -5.173 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.354 -5.627 -6.794 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.848 -7.299 -3.049 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.410 -7.278 -1.664 1.00 0.00 C ATOM 1267 C ASN A 82 -3.774 -5.929 -1.039 1.00 0.00 C ATOM 1268 O ASN A 82 -4.280 -5.041 -1.723 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.893 -7.451 -1.563 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.368 -8.350 -2.684 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.192 -9.546 -2.524 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.128 -7.709 -3.824 1.00 0.00 N ATOM 0 H ASN A 82 -3.767 -6.406 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.902 -8.099 -1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.408 -6.476 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.636 -7.882 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.775 -8.221 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.297 -6.705 -3.890 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.504 -5.820 0.253 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.798 -4.595 0.978 1.00 0.00 C ATOM 1281 C ALA A 83 -3.060 -3.428 0.318 1.00 0.00 C ATOM 1282 O ALA A 83 -3.633 -2.357 0.123 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.417 -4.768 2.449 1.00 0.00 C ATOM 0 H ALA A 83 -3.085 -6.559 0.817 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.865 -4.374 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.638 -3.849 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.989 -5.590 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.352 -4.988 2.526 1.00 0.00 H new ATOM 1289 N SER A 84 -1.800 -3.675 -0.007 1.00 0.00 N ATOM 1290 CA SER A 84 -0.978 -2.658 -0.641 1.00 0.00 C ATOM 1291 C SER A 84 -1.808 -1.872 -1.658 1.00 0.00 C ATOM 1292 O SER A 84 -1.641 -0.662 -1.799 1.00 0.00 O ATOM 1293 CB SER A 84 0.243 -3.281 -1.321 1.00 0.00 C ATOM 1294 OG SER A 84 1.428 -2.524 -1.090 1.00 0.00 O ATOM 0 H SER A 84 -1.328 -4.564 0.157 1.00 0.00 H new ATOM 0 HA SER A 84 -0.622 -1.977 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.384 -4.297 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.063 -3.354 -2.394 1.00 0.00 H new ATOM 0 HG SER A 84 2.185 -2.956 -1.539 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.686 -2.593 -2.340 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.543 -1.978 -3.339 1.00 0.00 C ATOM 1302 C ALA A 85 -4.676 -1.224 -2.640 1.00 0.00 C ATOM 1303 O ALA A 85 -4.956 -0.072 -2.969 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.063 -3.052 -4.297 1.00 0.00 C ATOM 0 H ALA A 85 -2.822 -3.597 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.982 -1.255 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.706 -2.591 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.221 -3.538 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.633 -3.794 -3.737 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.296 -1.904 -1.687 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.392 -1.313 -0.938 1.00 0.00 C ATOM 1312 C VAL A 86 -6.024 0.122 -0.552 1.00 0.00 C ATOM 1313 O VAL A 86 -6.848 1.028 -0.661 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.733 -2.188 0.269 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.763 -1.503 1.170 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.225 -3.567 -0.175 1.00 0.00 C ATOM 0 H VAL A 86 -5.060 -2.859 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.292 -1.265 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.821 -2.328 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.988 -2.147 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.360 -0.556 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.676 -1.318 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.461 -4.169 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.119 -3.454 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.446 -4.061 -0.756 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.787 0.282 -0.107 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.300 1.590 0.296 1.00 0.00 C ATOM 1328 C ALA A 87 -4.591 2.602 -0.814 1.00 0.00 C ATOM 1329 O ALA A 87 -5.217 3.633 -0.572 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.809 1.501 0.627 1.00 0.00 C ATOM 0 H ALA A 87 -4.107 -0.473 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.814 1.930 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.444 2.483 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.659 0.792 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.260 1.165 -0.253 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.122 2.273 -2.009 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.324 3.140 -3.157 1.00 0.00 C ATOM 1338 C GLY A 88 -5.811 3.432 -3.369 1.00 0.00 C ATOM 1339 O GLY A 88 -6.248 4.574 -3.232 1.00 0.00 O ATOM 0 H GLY A 88 -3.603 1.418 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.783 4.075 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.911 2.670 -4.049 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.547 2.381 -3.699 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.975 2.511 -3.931 1.00 0.00 C ATOM 1345 C PHE A 89 -8.610 3.468 -2.921 1.00 0.00 C ATOM 1346 O PHE A 89 -9.553 4.187 -3.249 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.586 1.119 -3.751 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.539 0.708 -4.874 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.632 1.468 -5.152 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.294 -0.419 -5.595 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.517 1.086 -6.194 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.179 -0.801 -6.638 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.272 -0.040 -6.916 1.00 0.00 C ATOM 0 H PHE A 89 -6.181 1.436 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.155 2.908 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.782 0.386 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.123 1.089 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.827 2.363 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.427 -1.023 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.385 1.690 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.984 -1.696 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.945 -0.330 -7.710 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.067 3.447 -1.712 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.569 4.305 -0.652 1.00 0.00 C ATOM 1365 C LEU A 90 -7.961 5.701 -0.800 1.00 0.00 C ATOM 1366 O LEU A 90 -8.680 6.699 -0.798 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.319 3.667 0.716 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.336 2.615 1.162 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -8.826 1.839 2.378 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.705 3.249 1.419 1.00 0.00 C ATOM 0 H LEU A 90 -7.285 2.850 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.650 4.418 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.331 3.207 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.293 4.459 1.465 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.461 1.897 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.568 1.098 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.893 1.336 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.653 2.529 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.409 2.479 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.616 4.002 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.066 3.718 0.504 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.642 5.727 -0.926 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.929 6.984 -1.075 1.00 0.00 C ATOM 1384 C ASP A 91 -6.538 7.777 -2.233 1.00 0.00 C ATOM 1385 O ASP A 91 -6.821 8.966 -2.094 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.451 6.744 -1.391 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.492 7.798 -0.834 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.722 8.365 0.245 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.455 8.033 -1.565 1.00 0.00 O ATOM 0 H ASP A 91 -6.049 4.897 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.013 7.533 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.164 5.769 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.329 6.699 -2.473 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.722 7.086 -3.348 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.293 7.711 -4.529 1.00 0.00 C ATOM 1397 C ALA A 92 -8.663 8.295 -4.181 1.00 0.00 C ATOM 1398 O ALA A 92 -9.032 9.360 -4.675 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.368 6.687 -5.663 1.00 0.00 C ATOM 0 H ALA A 92 -6.486 6.100 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.662 8.531 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.796 7.156 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.366 6.325 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.995 5.850 -5.356 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.380 7.574 -3.332 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.701 8.007 -2.911 1.00 0.00 C ATOM 1407 C GLU A 93 -10.588 9.145 -1.894 1.00 0.00 C ATOM 1408 O GLU A 93 -11.532 9.909 -1.704 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.506 6.839 -2.339 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.950 5.883 -3.449 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.466 5.937 -3.644 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.199 5.154 -3.022 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.877 6.832 -4.477 1.00 0.00 O ATOM 0 H GLU A 93 -9.071 6.692 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.235 8.379 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.902 6.299 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.380 7.219 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.450 6.145 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.648 4.866 -3.200 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.423 9.220 -1.266 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.174 10.252 -0.273 1.00 0.00 C ATOM 1423 C LEU A 94 -8.655 11.510 -0.971 1.00 0.00 C ATOM 1424 O LEU A 94 -8.833 12.620 -0.471 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.244 9.727 0.822 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.884 8.804 1.861 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.819 7.998 2.609 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.781 9.593 2.816 1.00 0.00 C ATOM 0 H LEU A 94 -8.642 8.584 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.100 10.527 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.422 9.191 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.810 10.581 1.342 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.520 8.090 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.301 7.350 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.258 7.389 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.139 8.680 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.224 8.914 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.187 10.345 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.573 10.084 2.250 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.022 11.296 -2.115 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.476 12.399 -2.887 1.00 0.00 C ATOM 1442 C GLY A 95 -6.499 13.225 -2.046 1.00 0.00 C ATOM 1443 O GLY A 95 -6.294 14.408 -2.311 1.00 0.00 O ATOM 0 H GLY A 95 -7.875 10.374 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.966 12.013 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.286 13.036 -3.241 1.00 0.00 H new TER 1447 GLY A 95