USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 700 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 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 THR OG1 : rot 38:sc= -0.326! USER MOD Set 2.2: A 17 SER OG : rot -88:sc= 1.03 USER MOD Single : A 1 VAL N :NH3+ -162:sc= -0.0641 (180deg=-0.484) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -25:sc= 0.188 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 64:sc= 0.159 USER MOD Single : A 31 TYR OH : rot 30:sc= 0.555 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -5:sc= 0.229! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 46 GLN : amide:sc=-0.00194 K(o=-0.0019,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= -2.04 (180deg=-2.08) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 60 SER OG : rot 73:sc= 1.08 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0129 (180deg=-0.299) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.586 USER MOD Single : A 71 THR OG1 : rot 13:sc= -2.24! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.661 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 46:sc= 1.24 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc=0.000484 USER MOD Single : A 91 ASN : amide:sc= -0.611 X(o=-0.61,f=-1.1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0183 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.391 19.430 -4.337 1.00 0.00 N ATOM 2 CA VAL A 1 7.105 18.698 -4.241 1.00 0.00 C ATOM 3 C VAL A 1 6.915 17.820 -5.468 1.00 0.00 C ATOM 4 O VAL A 1 6.563 18.298 -6.527 1.00 0.00 O ATOM 5 CB VAL A 1 5.936 19.696 -4.175 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.617 18.920 -4.105 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.079 20.561 -2.920 1.00 0.00 C ATOM 0 H1 VAL A 1 8.663 19.779 -3.396 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.129 18.790 -4.696 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.285 20.235 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 1 7.124 18.084 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 1 5.944 20.331 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.784 19.622 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.515 18.295 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.612 18.291 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.252 21.269 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.065 19.924 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.022 21.106 -2.959 1.00 0.00 H new ATOM 19 N SER A 2 7.152 16.549 -5.306 1.00 0.00 N ATOM 20 CA SER A 2 6.988 15.631 -6.458 1.00 0.00 C ATOM 21 C SER A 2 5.516 15.331 -6.702 1.00 0.00 C ATOM 22 O SER A 2 4.696 15.478 -5.816 1.00 0.00 O ATOM 23 CB SER A 2 7.715 14.315 -6.139 1.00 0.00 C ATOM 24 OG SER A 2 6.675 13.349 -6.078 1.00 0.00 O ATOM 0 H SER A 2 7.449 16.112 -4.433 1.00 0.00 H new ATOM 0 HA SER A 2 7.403 16.100 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.445 14.066 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.256 14.378 -5.195 1.00 0.00 H new ATOM 0 HG SER A 2 7.057 12.469 -5.878 1.00 0.00 H new ATOM 30 N ASP A 3 5.210 14.920 -7.907 1.00 0.00 N ATOM 31 CA ASP A 3 3.799 14.600 -8.243 1.00 0.00 C ATOM 32 C ASP A 3 3.712 13.286 -9.005 1.00 0.00 C ATOM 33 O ASP A 3 2.736 12.569 -8.906 1.00 0.00 O ATOM 34 CB ASP A 3 3.249 15.724 -9.129 1.00 0.00 C ATOM 35 CG ASP A 3 2.190 16.502 -8.348 1.00 0.00 C ATOM 36 OD1 ASP A 3 1.043 16.096 -8.439 1.00 0.00 O ATOM 37 OD2 ASP A 3 2.589 17.455 -7.700 1.00 0.00 O ATOM 0 H ASP A 3 5.878 14.794 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 3 3.222 14.508 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.055 16.390 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.816 15.308 -10.039 1.00 0.00 H new ATOM 42 N VAL A 4 4.740 12.996 -9.750 1.00 0.00 N ATOM 43 CA VAL A 4 4.752 11.739 -10.531 1.00 0.00 C ATOM 44 C VAL A 4 5.213 10.557 -9.627 1.00 0.00 C ATOM 45 O VAL A 4 6.182 10.695 -8.905 1.00 0.00 O ATOM 46 CB VAL A 4 5.775 11.937 -11.684 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.533 10.629 -11.972 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.028 12.375 -12.950 1.00 0.00 C ATOM 0 H VAL A 4 5.571 13.578 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 4 3.758 11.510 -10.916 1.00 0.00 H new ATOM 0 HB VAL A 4 6.495 12.700 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.244 10.791 -12.782 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.069 10.315 -11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.824 9.854 -12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.741 12.516 -13.763 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.305 11.608 -13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.506 13.313 -12.759 1.00 0.00 H new ATOM 58 N PRO A 5 4.515 9.402 -9.670 1.00 0.00 N ATOM 59 CA PRO A 5 4.913 8.267 -8.841 1.00 0.00 C ATOM 60 C PRO A 5 6.391 7.961 -9.045 1.00 0.00 C ATOM 61 O PRO A 5 6.975 8.384 -10.023 1.00 0.00 O ATOM 62 CB PRO A 5 4.044 7.087 -9.332 1.00 0.00 C ATOM 63 CG PRO A 5 3.004 7.668 -10.339 1.00 0.00 C ATOM 64 CD PRO A 5 3.342 9.156 -10.536 1.00 0.00 C ATOM 0 HA PRO A 5 4.771 8.462 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.662 6.328 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.540 6.605 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.049 7.135 -11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.990 7.551 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.570 9.374 -11.579 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.503 9.792 -10.253 1.00 0.00 H new ATOM 72 N ARG A 6 6.983 7.237 -8.128 1.00 0.00 N ATOM 73 CA ARG A 6 8.431 6.926 -8.308 1.00 0.00 C ATOM 74 C ARG A 6 8.922 5.778 -7.411 1.00 0.00 C ATOM 75 O ARG A 6 8.170 5.198 -6.659 1.00 0.00 O ATOM 76 CB ARG A 6 9.224 8.190 -7.941 1.00 0.00 C ATOM 77 CG ARG A 6 9.011 8.493 -6.452 1.00 0.00 C ATOM 78 CD ARG A 6 8.993 10.013 -6.225 1.00 0.00 C ATOM 79 NE ARG A 6 10.330 10.572 -6.574 1.00 0.00 N ATOM 80 CZ ARG A 6 10.890 11.442 -5.775 1.00 0.00 C ATOM 81 NH1 ARG A 6 11.027 11.141 -4.514 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.292 12.584 -6.265 1.00 0.00 N ATOM 0 H ARG A 6 6.543 6.859 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 6 8.579 6.614 -9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.284 8.044 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.893 9.032 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.072 8.055 -6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.806 8.038 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.220 10.476 -6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.752 10.236 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 6 10.804 10.278 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.700 10.240 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.462 11.807 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.167 12.786 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.731 13.274 -5.656 1.00 0.00 H new ATOM 96 N ASP A 7 10.207 5.500 -7.546 1.00 0.00 N ATOM 97 CA ASP A 7 10.881 4.412 -6.758 1.00 0.00 C ATOM 98 C ASP A 7 9.919 3.382 -6.163 1.00 0.00 C ATOM 99 O ASP A 7 9.667 3.379 -4.974 1.00 0.00 O ATOM 100 CB ASP A 7 11.696 5.065 -5.615 1.00 0.00 C ATOM 101 CG ASP A 7 10.780 5.912 -4.729 1.00 0.00 C ATOM 102 OD1 ASP A 7 9.584 5.736 -4.857 1.00 0.00 O ATOM 103 OD2 ASP A 7 11.335 6.692 -3.970 1.00 0.00 O ATOM 0 H ASP A 7 10.828 5.996 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 7 11.517 3.866 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.180 4.293 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.487 5.688 -6.033 1.00 0.00 H new ATOM 108 N LEU A 8 9.408 2.519 -7.006 1.00 0.00 N ATOM 109 CA LEU A 8 8.465 1.477 -6.516 1.00 0.00 C ATOM 110 C LEU A 8 9.227 0.172 -6.344 1.00 0.00 C ATOM 111 O LEU A 8 9.965 -0.224 -7.225 1.00 0.00 O ATOM 112 CB LEU A 8 7.362 1.256 -7.571 1.00 0.00 C ATOM 113 CG LEU A 8 6.680 2.589 -7.890 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.217 3.122 -9.221 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.173 2.364 -8.019 1.00 0.00 C ATOM 0 H LEU A 8 9.604 2.494 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 8 8.024 1.793 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.792 0.830 -8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.628 0.540 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 8 6.882 3.305 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.735 4.071 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.294 3.271 -9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.005 2.404 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.682 3.310 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.979 1.652 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.783 1.969 -7.081 1.00 0.00 H new ATOM 127 N GLU A 9 9.056 -0.486 -5.229 1.00 0.00 N ATOM 128 CA GLU A 9 9.801 -1.759 -5.055 1.00 0.00 C ATOM 129 C GLU A 9 9.231 -2.638 -3.938 1.00 0.00 C ATOM 130 O GLU A 9 8.335 -2.241 -3.200 1.00 0.00 O ATOM 131 CB GLU A 9 11.256 -1.406 -4.702 1.00 0.00 C ATOM 132 CG GLU A 9 12.187 -1.933 -5.799 1.00 0.00 C ATOM 133 CD GLU A 9 13.639 -1.652 -5.403 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.859 -1.521 -4.210 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.447 -1.582 -6.316 1.00 0.00 O ATOM 0 H GLU A 9 8.452 -0.207 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 9 9.722 -2.324 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.366 -0.326 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.525 -1.843 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.036 -3.003 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.957 -1.452 -6.750 1.00 0.00 H new ATOM 142 N VAL A 10 9.783 -3.831 -3.852 1.00 0.00 N ATOM 143 CA VAL A 10 9.346 -4.808 -2.819 1.00 0.00 C ATOM 144 C VAL A 10 10.130 -4.584 -1.528 1.00 0.00 C ATOM 145 O VAL A 10 11.304 -4.277 -1.578 1.00 0.00 O ATOM 146 CB VAL A 10 9.678 -6.217 -3.345 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.654 -7.216 -2.806 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.624 -6.206 -4.875 1.00 0.00 C ATOM 0 H VAL A 10 10.526 -4.165 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 10 8.281 -4.692 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 10 10.675 -6.508 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.888 -8.213 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.686 -7.218 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.656 -6.930 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.858 -7.201 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.625 -5.919 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.351 -5.491 -5.260 1.00 0.00 H new ATOM 158 N VAL A 11 9.474 -4.731 -0.393 1.00 0.00 N ATOM 159 CA VAL A 11 10.200 -4.521 0.898 1.00 0.00 C ATOM 160 C VAL A 11 9.960 -5.672 1.875 1.00 0.00 C ATOM 161 O VAL A 11 10.600 -5.750 2.903 1.00 0.00 O ATOM 162 CB VAL A 11 9.702 -3.207 1.521 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.182 -3.154 1.425 1.00 0.00 C ATOM 164 CG2 VAL A 11 10.121 -3.142 2.994 1.00 0.00 C ATOM 0 H VAL A 11 8.489 -4.982 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 11 11.270 -4.478 0.697 1.00 0.00 H new ATOM 0 HB VAL A 11 10.136 -2.363 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.822 -2.224 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.882 -3.200 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.754 -4.000 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.766 -2.209 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.687 -3.984 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.208 -3.186 3.065 1.00 0.00 H new ATOM 174 N ALA A 12 9.057 -6.549 1.543 1.00 0.00 N ATOM 175 CA ALA A 12 8.791 -7.686 2.466 1.00 0.00 C ATOM 176 C ALA A 12 7.891 -8.737 1.820 1.00 0.00 C ATOM 177 O ALA A 12 7.210 -8.466 0.850 1.00 0.00 O ATOM 178 CB ALA A 12 8.091 -7.137 3.717 1.00 0.00 C ATOM 0 H ALA A 12 8.500 -6.531 0.689 1.00 0.00 H new ATOM 0 HA ALA A 12 9.740 -8.160 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.886 -7.955 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.736 -6.404 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.153 -6.661 3.430 1.00 0.00 H new ATOM 184 N ALA A 13 7.905 -9.925 2.378 1.00 0.00 N ATOM 185 CA ALA A 13 7.060 -11.008 1.813 1.00 0.00 C ATOM 186 C ALA A 13 6.708 -12.047 2.878 1.00 0.00 C ATOM 187 O ALA A 13 7.472 -12.286 3.791 1.00 0.00 O ATOM 188 CB ALA A 13 7.852 -11.701 0.695 1.00 0.00 C ATOM 0 H ALA A 13 8.462 -10.183 3.193 1.00 0.00 H new ATOM 0 HA ALA A 13 6.135 -10.573 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.250 -12.501 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.098 -10.975 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.771 -12.119 1.106 1.00 0.00 H new ATOM 194 N THR A 14 5.550 -12.646 2.730 1.00 0.00 N ATOM 195 CA THR A 14 5.111 -13.678 3.712 1.00 0.00 C ATOM 196 C THR A 14 4.503 -14.882 2.966 1.00 0.00 C ATOM 197 O THR A 14 4.127 -14.767 1.817 1.00 0.00 O ATOM 198 CB THR A 14 4.038 -13.040 4.615 1.00 0.00 C ATOM 199 OG1 THR A 14 3.658 -11.852 3.953 1.00 0.00 O ATOM 200 CG2 THR A 14 4.648 -12.556 5.944 1.00 0.00 C ATOM 0 H THR A 14 4.893 -12.463 1.971 1.00 0.00 H new ATOM 0 HA THR A 14 5.958 -14.024 4.304 1.00 0.00 H new ATOM 0 HB THR A 14 3.240 -13.759 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.644 -12.007 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.868 -12.110 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.089 -13.402 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.419 -11.813 5.741 1.00 0.00 H new ATOM 208 N PRO A 15 4.412 -16.026 3.637 1.00 0.00 N ATOM 209 CA PRO A 15 3.851 -17.226 3.017 1.00 0.00 C ATOM 210 C PRO A 15 2.501 -16.948 2.365 1.00 0.00 C ATOM 211 O PRO A 15 1.984 -17.765 1.630 1.00 0.00 O ATOM 212 CB PRO A 15 3.683 -18.228 4.177 1.00 0.00 C ATOM 213 CG PRO A 15 4.327 -17.584 5.444 1.00 0.00 C ATOM 214 CD PRO A 15 4.835 -16.190 5.037 1.00 0.00 C ATOM 0 HA PRO A 15 4.498 -17.600 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.628 -18.443 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.167 -19.175 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.597 -17.507 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.147 -18.199 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.409 -15.413 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.919 -16.121 5.133 1.00 0.00 H new ATOM 222 N THR A 16 1.957 -15.798 2.646 1.00 0.00 N ATOM 223 CA THR A 16 0.644 -15.446 2.053 1.00 0.00 C ATOM 224 C THR A 16 0.382 -13.955 2.191 1.00 0.00 C ATOM 225 O THR A 16 -0.673 -13.547 2.633 1.00 0.00 O ATOM 226 CB THR A 16 -0.452 -16.209 2.805 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.154 -17.577 2.621 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.818 -16.016 2.124 1.00 0.00 C ATOM 0 H THR A 16 2.365 -15.091 3.258 1.00 0.00 H new ATOM 0 HA THR A 16 0.646 -15.711 0.996 1.00 0.00 H new ATOM 0 HB THR A 16 -0.489 -15.872 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.361 -17.691 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.580 -16.567 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.073 -14.956 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.770 -16.388 1.101 1.00 0.00 H new ATOM 236 N SER A 17 1.349 -13.163 1.812 1.00 0.00 N ATOM 237 CA SER A 17 1.166 -11.695 1.918 1.00 0.00 C ATOM 238 C SER A 17 2.402 -10.947 1.438 1.00 0.00 C ATOM 239 O SER A 17 3.515 -11.389 1.638 1.00 0.00 O ATOM 240 CB SER A 17 0.917 -11.346 3.394 1.00 0.00 C ATOM 241 OG SER A 17 1.813 -10.277 3.652 1.00 0.00 O ATOM 0 H SER A 17 2.247 -13.469 1.438 1.00 0.00 H new ATOM 0 HA SER A 17 0.323 -11.399 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.118 -11.049 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.115 -12.198 4.044 1.00 0.00 H new ATOM 0 HG SER A 17 2.680 -10.637 3.933 1.00 0.00 H new ATOM 247 N LEU A 18 2.175 -9.824 0.798 1.00 0.00 N ATOM 248 CA LEU A 18 3.318 -9.012 0.283 1.00 0.00 C ATOM 249 C LEU A 18 3.171 -7.552 0.684 1.00 0.00 C ATOM 250 O LEU A 18 2.084 -7.008 0.667 1.00 0.00 O ATOM 251 CB LEU A 18 3.308 -9.097 -1.264 1.00 0.00 C ATOM 252 CG LEU A 18 4.745 -9.165 -1.827 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.680 -9.698 -3.251 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.371 -7.762 -1.861 1.00 0.00 C ATOM 0 H LEU A 18 1.250 -9.438 0.612 1.00 0.00 H new ATOM 0 HA LEU A 18 4.248 -9.399 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.749 -9.978 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.794 -8.229 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 18 5.349 -9.814 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.687 -9.753 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.234 -10.693 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.072 -9.031 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.383 -7.825 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.770 -7.111 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.404 -7.354 -0.851 1.00 0.00 H new ATOM 266 N LEU A 19 4.279 -6.950 1.040 1.00 0.00 N ATOM 267 CA LEU A 19 4.253 -5.523 1.446 1.00 0.00 C ATOM 268 C LEU A 19 5.009 -4.691 0.413 1.00 0.00 C ATOM 269 O LEU A 19 6.209 -4.838 0.253 1.00 0.00 O ATOM 270 CB LEU A 19 4.950 -5.400 2.826 1.00 0.00 C ATOM 271 CG LEU A 19 4.786 -3.967 3.378 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.461 -3.853 4.128 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.922 -3.670 4.361 1.00 0.00 C ATOM 0 H LEU A 19 5.198 -7.391 1.065 1.00 0.00 H new ATOM 0 HA LEU A 19 3.226 -5.163 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.520 -6.118 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.008 -5.642 2.730 1.00 0.00 H new ATOM 0 HG LEU A 19 4.807 -3.261 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.349 -2.841 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.638 -4.075 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.449 -4.562 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.809 -2.659 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.887 -4.384 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.879 -3.755 3.847 1.00 0.00 H new ATOM 285 N ILE A 20 4.283 -3.847 -0.290 1.00 0.00 N ATOM 286 CA ILE A 20 4.940 -2.994 -1.324 1.00 0.00 C ATOM 287 C ILE A 20 5.051 -1.561 -0.840 1.00 0.00 C ATOM 288 O ILE A 20 4.427 -1.181 0.137 1.00 0.00 O ATOM 289 CB ILE A 20 4.090 -3.031 -2.616 1.00 0.00 C ATOM 290 CG1 ILE A 20 3.124 -1.839 -2.669 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.270 -4.334 -2.618 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.089 -2.072 -3.770 1.00 0.00 C ATOM 0 H ILE A 20 3.276 -3.717 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 20 5.942 -3.376 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 20 4.752 -2.981 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.626 -1.717 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.675 -0.919 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.663 -4.380 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.945 -5.189 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.621 -4.357 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.402 -1.226 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.595 -2.173 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.530 -2.983 -3.557 1.00 0.00 H new ATOM 304 N SER A 21 5.835 -0.778 -1.535 1.00 0.00 N ATOM 305 CA SER A 21 5.988 0.635 -1.115 1.00 0.00 C ATOM 306 C SER A 21 6.303 1.543 -2.308 1.00 0.00 C ATOM 307 O SER A 21 7.135 1.222 -3.140 1.00 0.00 O ATOM 308 CB SER A 21 7.149 0.711 -0.108 1.00 0.00 C ATOM 309 OG SER A 21 7.996 -0.372 -0.470 1.00 0.00 O ATOM 0 H SER A 21 6.366 -1.055 -2.361 1.00 0.00 H new ATOM 0 HA SER A 21 5.053 0.975 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.672 1.665 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.794 0.613 0.918 1.00 0.00 H new ATOM 0 HG SER A 21 8.772 -0.395 0.129 1.00 0.00 H new ATOM 315 N TRP A 22 5.617 2.668 -2.366 1.00 0.00 N ATOM 316 CA TRP A 22 5.852 3.620 -3.488 1.00 0.00 C ATOM 317 C TRP A 22 5.776 5.071 -2.985 1.00 0.00 C ATOM 318 O TRP A 22 6.207 5.354 -1.883 1.00 0.00 O ATOM 319 CB TRP A 22 4.805 3.354 -4.625 1.00 0.00 C ATOM 320 CG TRP A 22 3.432 3.982 -4.312 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.973 5.087 -4.885 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.544 3.474 -3.488 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.743 5.232 -4.357 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.395 4.245 -3.454 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.619 2.328 -2.725 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.335 3.870 -2.653 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.558 1.956 -1.928 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.418 2.726 -1.892 1.00 0.00 C ATOM 0 H TRP A 22 4.913 2.958 -1.688 1.00 0.00 H new ATOM 0 HA TRP A 22 6.852 3.465 -3.894 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.181 3.758 -5.565 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.688 2.279 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.469 5.721 -5.605 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.122 6.003 -4.602 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.511 1.720 -2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.560 4.474 -2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.621 1.059 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.412 2.433 -1.266 1.00 0.00 H new ATOM 339 N ASP A 23 5.244 5.961 -3.791 1.00 0.00 N ATOM 340 CA ASP A 23 5.151 7.398 -3.346 1.00 0.00 C ATOM 341 C ASP A 23 3.759 7.998 -3.560 1.00 0.00 C ATOM 342 O ASP A 23 3.075 7.667 -4.502 1.00 0.00 O ATOM 343 CB ASP A 23 6.145 8.200 -4.189 1.00 0.00 C ATOM 344 CG ASP A 23 6.010 9.689 -3.864 1.00 0.00 C ATOM 345 OD1 ASP A 23 4.992 10.238 -4.249 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.937 10.194 -3.251 1.00 0.00 O ATOM 0 H ASP A 23 4.875 5.764 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 23 5.366 7.439 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.162 7.864 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.958 8.031 -5.249 1.00 0.00 H new ATOM 351 N ALA A 24 3.385 8.894 -2.667 1.00 0.00 N ATOM 352 CA ALA A 24 2.050 9.548 -2.775 1.00 0.00 C ATOM 353 C ALA A 24 2.212 11.100 -2.749 1.00 0.00 C ATOM 354 O ALA A 24 2.836 11.622 -1.845 1.00 0.00 O ATOM 355 CB ALA A 24 1.222 9.138 -1.546 1.00 0.00 C ATOM 0 H ALA A 24 3.951 9.194 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 24 1.568 9.246 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.238 9.603 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.110 8.054 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.730 9.466 -0.639 1.00 0.00 H new ATOM 361 N PRO A 25 1.657 11.827 -3.741 1.00 0.00 N ATOM 362 CA PRO A 25 1.785 13.288 -3.757 1.00 0.00 C ATOM 363 C PRO A 25 1.160 13.930 -2.522 1.00 0.00 C ATOM 364 O PRO A 25 0.509 13.272 -1.737 1.00 0.00 O ATOM 365 CB PRO A 25 1.007 13.747 -5.004 1.00 0.00 C ATOM 366 CG PRO A 25 0.480 12.474 -5.726 1.00 0.00 C ATOM 367 CD PRO A 25 0.906 11.262 -4.884 1.00 0.00 C ATOM 0 HA PRO A 25 2.835 13.579 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.179 14.397 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.652 14.324 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.605 12.510 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.891 12.406 -6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.039 10.695 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.527 10.579 -5.464 1.00 0.00 H new ATOM 375 N ALA A 26 1.376 15.215 -2.384 1.00 0.00 N ATOM 376 CA ALA A 26 0.811 15.936 -1.217 1.00 0.00 C ATOM 377 C ALA A 26 -0.456 16.687 -1.614 1.00 0.00 C ATOM 378 O ALA A 26 -1.301 16.965 -0.788 1.00 0.00 O ATOM 379 CB ALA A 26 1.850 16.955 -0.725 1.00 0.00 C ATOM 0 H ALA A 26 1.918 15.789 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 26 0.567 15.216 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.451 17.495 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.762 16.433 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.075 17.660 -1.525 1.00 0.00 H new ATOM 385 N VAL A 27 -0.564 17.004 -2.878 1.00 0.00 N ATOM 386 CA VAL A 27 -1.769 17.732 -3.340 1.00 0.00 C ATOM 387 C VAL A 27 -3.017 16.909 -3.067 1.00 0.00 C ATOM 388 O VAL A 27 -2.932 15.734 -2.776 1.00 0.00 O ATOM 389 CB VAL A 27 -1.646 17.975 -4.857 1.00 0.00 C ATOM 390 CG1 VAL A 27 -0.706 19.154 -5.103 1.00 0.00 C ATOM 391 CG2 VAL A 27 -1.068 16.727 -5.528 1.00 0.00 C ATOM 0 H VAL A 27 0.125 16.791 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.847 18.679 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.630 18.192 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.616 19.330 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.107 20.046 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.277 18.929 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.981 16.898 -6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.083 16.514 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.728 15.879 -5.348 1.00 0.00 H new ATOM 401 N THR A 28 -4.157 17.533 -3.160 1.00 0.00 N ATOM 402 CA THR A 28 -5.410 16.783 -2.904 1.00 0.00 C ATOM 403 C THR A 28 -5.600 15.674 -3.927 1.00 0.00 C ATOM 404 O THR A 28 -6.190 15.879 -4.969 1.00 0.00 O ATOM 405 CB THR A 28 -6.585 17.752 -2.995 1.00 0.00 C ATOM 406 OG1 THR A 28 -6.078 18.902 -3.645 1.00 0.00 O ATOM 407 CG2 THR A 28 -6.982 18.238 -1.599 1.00 0.00 C ATOM 0 H THR A 28 -4.272 18.518 -3.399 1.00 0.00 H new ATOM 0 HA THR A 28 -5.355 16.332 -1.913 1.00 0.00 H new ATOM 0 HB THR A 28 -7.428 17.272 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.811 18.670 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.821 18.929 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.271 17.385 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.136 18.747 -1.137 1.00 0.00 H new ATOM 415 N VAL A 29 -5.096 14.516 -3.607 1.00 0.00 N ATOM 416 CA VAL A 29 -5.233 13.375 -4.545 1.00 0.00 C ATOM 417 C VAL A 29 -6.567 12.673 -4.344 1.00 0.00 C ATOM 418 O VAL A 29 -6.867 12.218 -3.257 1.00 0.00 O ATOM 419 CB VAL A 29 -4.108 12.356 -4.254 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.785 11.567 -5.526 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.853 13.094 -3.798 1.00 0.00 C ATOM 0 H VAL A 29 -4.598 14.313 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.172 13.752 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.440 11.674 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.991 10.849 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.676 11.036 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.457 12.254 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.061 12.373 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.528 13.778 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.072 13.659 -2.892 1.00 0.00 H new ATOM 431 N ARG A 30 -7.350 12.594 -5.386 1.00 0.00 N ATOM 432 CA ARG A 30 -8.657 11.918 -5.241 1.00 0.00 C ATOM 433 C ARG A 30 -8.446 10.525 -4.687 1.00 0.00 C ATOM 434 O ARG A 30 -9.044 10.145 -3.700 1.00 0.00 O ATOM 435 CB ARG A 30 -9.313 11.800 -6.625 1.00 0.00 C ATOM 436 CG ARG A 30 -9.745 13.187 -7.098 1.00 0.00 C ATOM 437 CD ARG A 30 -11.169 13.466 -6.608 1.00 0.00 C ATOM 438 NE ARG A 30 -12.142 12.853 -7.559 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.329 12.509 -7.130 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.933 13.275 -6.263 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.871 11.414 -7.585 1.00 0.00 N ATOM 0 H ARG A 30 -7.141 12.963 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.292 12.493 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.612 11.362 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.175 11.135 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.061 13.944 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.705 13.242 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.310 13.055 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.338 14.540 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.884 12.704 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.479 14.126 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.859 13.023 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.370 10.841 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.796 11.130 -7.262 1.00 0.00 H new ATOM 455 N TYR A 31 -7.586 9.785 -5.332 1.00 0.00 N ATOM 456 CA TYR A 31 -7.314 8.412 -4.860 1.00 0.00 C ATOM 457 C TYR A 31 -6.379 7.667 -5.804 1.00 0.00 C ATOM 458 O TYR A 31 -6.058 8.138 -6.885 1.00 0.00 O ATOM 459 CB TYR A 31 -8.649 7.635 -4.786 1.00 0.00 C ATOM 460 CG TYR A 31 -9.612 8.112 -5.891 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.282 7.978 -7.229 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.839 8.657 -5.561 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.166 8.379 -8.214 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.722 9.057 -6.548 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.391 8.920 -7.881 1.00 0.00 C ATOM 466 OH TYR A 31 -12.274 9.317 -8.866 1.00 0.00 O ATOM 0 H TYR A 31 -7.066 10.076 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.838 8.480 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.462 6.567 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.108 7.780 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.327 7.557 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.111 8.772 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.895 8.268 -9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.677 9.480 -6.274 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.147 8.761 -9.663 1.00 0.00 H new ATOM 476 N TYR A 32 -5.957 6.518 -5.358 1.00 0.00 N ATOM 477 CA TYR A 32 -5.042 5.678 -6.169 1.00 0.00 C ATOM 478 C TYR A 32 -5.736 4.361 -6.468 1.00 0.00 C ATOM 479 O TYR A 32 -6.697 4.023 -5.815 1.00 0.00 O ATOM 480 CB TYR A 32 -3.784 5.373 -5.328 1.00 0.00 C ATOM 481 CG TYR A 32 -2.598 6.234 -5.793 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.625 7.607 -5.649 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.464 5.640 -6.318 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.533 8.372 -6.019 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.375 6.408 -6.688 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.403 7.778 -6.540 1.00 0.00 C ATOM 487 OH TYR A 32 0.687 8.543 -6.896 1.00 0.00 O ATOM 0 H TYR A 32 -6.212 6.122 -4.453 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.775 6.193 -7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.989 5.566 -4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.529 4.317 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.504 8.087 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.429 4.567 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.566 9.445 -5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.504 5.931 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 32 1.395 7.962 -7.244 1.00 0.00 H new ATOM 497 N ARG A 33 -5.260 3.646 -7.452 1.00 0.00 N ATOM 498 CA ARG A 33 -5.909 2.343 -7.779 1.00 0.00 C ATOM 499 C ARG A 33 -4.869 1.286 -8.084 1.00 0.00 C ATOM 500 O ARG A 33 -4.273 1.277 -9.143 1.00 0.00 O ATOM 501 CB ARG A 33 -6.809 2.535 -8.998 1.00 0.00 C ATOM 502 CG ARG A 33 -7.425 1.195 -9.390 1.00 0.00 C ATOM 503 CD ARG A 33 -8.825 1.439 -9.961 1.00 0.00 C ATOM 504 NE ARG A 33 -8.771 2.600 -10.897 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.876 3.047 -11.433 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.634 3.853 -10.741 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.184 2.675 -12.646 1.00 0.00 N ATOM 0 H ARG A 33 -4.463 3.902 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.495 2.012 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.594 3.257 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.232 2.940 -9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.799 0.694 -10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.481 0.538 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.179 0.550 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.531 1.638 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.878 3.042 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.361 4.125 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.500 4.211 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.566 2.046 -13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.042 3.014 -13.081 1.00 0.00 H new ATOM 521 N ILE A 34 -4.675 0.407 -7.141 1.00 0.00 N ATOM 522 CA ILE A 34 -3.681 -0.668 -7.336 1.00 0.00 C ATOM 523 C ILE A 34 -4.351 -1.948 -7.817 1.00 0.00 C ATOM 524 O ILE A 34 -5.008 -2.637 -7.054 1.00 0.00 O ATOM 525 CB ILE A 34 -2.993 -0.938 -5.986 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.352 0.351 -5.470 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.875 -1.982 -6.192 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.308 1.047 -4.492 1.00 0.00 C ATOM 0 H ILE A 34 -5.165 0.392 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.958 -0.355 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.732 -1.301 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.408 0.126 -4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.123 1.014 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.382 -2.180 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.307 -2.906 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.146 -1.598 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.849 1.965 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.241 1.286 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.515 0.384 -3.652 1.00 0.00 H new ATOM 540 N THR A 35 -4.183 -2.235 -9.081 1.00 0.00 N ATOM 541 CA THR A 35 -4.791 -3.461 -9.652 1.00 0.00 C ATOM 542 C THR A 35 -3.717 -4.519 -9.830 1.00 0.00 C ATOM 543 O THR A 35 -2.593 -4.197 -10.163 1.00 0.00 O ATOM 544 CB THR A 35 -5.383 -3.116 -11.028 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.275 -3.014 -11.898 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.997 -1.709 -11.022 1.00 0.00 C ATOM 0 H THR A 35 -3.649 -1.669 -9.740 1.00 0.00 H new ATOM 0 HA THR A 35 -5.568 -3.837 -8.986 1.00 0.00 H new ATOM 0 HB THR A 35 -6.131 -3.859 -11.303 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.446 -3.109 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.409 -1.488 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.791 -1.662 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.227 -0.977 -10.778 1.00 0.00 H new ATOM 554 N TYR A 36 -4.060 -5.765 -9.600 1.00 0.00 N ATOM 555 CA TYR A 36 -3.039 -6.817 -9.764 1.00 0.00 C ATOM 556 C TYR A 36 -3.648 -8.100 -10.279 1.00 0.00 C ATOM 557 O TYR A 36 -4.860 -8.260 -10.299 1.00 0.00 O ATOM 558 CB TYR A 36 -2.371 -7.080 -8.399 1.00 0.00 C ATOM 559 CG TYR A 36 -3.432 -7.404 -7.343 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.269 -6.419 -6.858 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.550 -8.686 -6.842 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.206 -6.711 -5.890 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.487 -8.975 -5.872 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.322 -7.991 -5.390 1.00 0.00 C ATOM 565 OH TYR A 36 -6.261 -8.283 -4.422 1.00 0.00 O ATOM 0 H TYR A 36 -4.986 -6.083 -9.312 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.303 -6.476 -10.492 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.668 -7.908 -8.484 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.798 -6.205 -8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.189 -5.412 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.904 -9.468 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.855 -5.931 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.567 -9.981 -5.487 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.204 -9.233 -4.187 1.00 0.00 H new ATOM 575 N GLY A 37 -2.787 -8.988 -10.702 1.00 0.00 N ATOM 576 CA GLY A 37 -3.260 -10.288 -11.233 1.00 0.00 C ATOM 577 C GLY A 37 -2.168 -10.920 -12.094 1.00 0.00 C ATOM 578 O GLY A 37 -1.239 -10.254 -12.509 1.00 0.00 O ATOM 0 H GLY A 37 -1.775 -8.863 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.520 -10.955 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.164 -10.143 -11.824 1.00 0.00 H new ATOM 582 N GLU A 38 -2.294 -12.191 -12.340 1.00 0.00 N ATOM 583 CA GLU A 38 -1.277 -12.873 -13.166 1.00 0.00 C ATOM 584 C GLU A 38 -1.009 -12.091 -14.445 1.00 0.00 C ATOM 585 O GLU A 38 -1.624 -11.073 -14.696 1.00 0.00 O ATOM 586 CB GLU A 38 -1.819 -14.257 -13.542 1.00 0.00 C ATOM 587 CG GLU A 38 -0.913 -15.336 -12.947 1.00 0.00 C ATOM 588 CD GLU A 38 -1.503 -16.714 -13.251 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.634 -16.997 -14.430 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.792 -17.404 -12.288 1.00 0.00 O ATOM 0 H GLU A 38 -3.055 -12.781 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.348 -12.951 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.837 -14.375 -13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.863 -14.360 -14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.090 -15.257 -13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.821 -15.197 -11.870 1.00 0.00 H new ATOM 597 N THR A 39 -0.095 -12.582 -15.233 1.00 0.00 N ATOM 598 CA THR A 39 0.225 -11.881 -16.496 1.00 0.00 C ATOM 599 C THR A 39 -0.878 -12.088 -17.521 1.00 0.00 C ATOM 600 O THR A 39 -1.054 -11.290 -18.420 1.00 0.00 O ATOM 601 CB THR A 39 1.529 -12.459 -17.051 1.00 0.00 C ATOM 602 OG1 THR A 39 2.467 -12.338 -16.002 1.00 0.00 O ATOM 603 CG2 THR A 39 2.088 -11.572 -18.173 1.00 0.00 C ATOM 0 H THR A 39 0.439 -13.433 -15.055 1.00 0.00 H new ATOM 0 HA THR A 39 0.322 -10.814 -16.298 1.00 0.00 H new ATOM 0 HB THR A 39 1.358 -13.472 -17.416 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.332 -12.695 -16.294 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.015 -12.004 -18.551 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.361 -11.508 -18.983 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.286 -10.574 -17.783 1.00 0.00 H new ATOM 611 N GLY A 40 -1.603 -13.154 -17.364 1.00 0.00 N ATOM 612 CA GLY A 40 -2.709 -13.435 -18.325 1.00 0.00 C ATOM 613 C GLY A 40 -3.374 -14.776 -18.004 1.00 0.00 C ATOM 614 O GLY A 40 -3.460 -15.647 -18.849 1.00 0.00 O ATOM 0 H GLY A 40 -1.483 -13.841 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.449 -12.636 -18.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.319 -13.451 -19.343 1.00 0.00 H new ATOM 618 N GLY A 41 -3.835 -14.913 -16.791 1.00 0.00 N ATOM 619 CA GLY A 41 -4.497 -16.189 -16.400 1.00 0.00 C ATOM 620 C GLY A 41 -5.915 -16.246 -16.966 1.00 0.00 C ATOM 621 O GLY A 41 -6.239 -15.548 -17.906 1.00 0.00 O ATOM 0 H GLY A 41 -3.783 -14.204 -16.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.917 -17.035 -16.768 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.528 -16.272 -15.314 1.00 0.00 H new ATOM 625 N ASN A 42 -6.733 -17.078 -16.384 1.00 0.00 N ATOM 626 CA ASN A 42 -8.113 -17.190 -16.871 1.00 0.00 C ATOM 627 C ASN A 42 -8.829 -15.853 -16.730 1.00 0.00 C ATOM 628 O ASN A 42 -9.772 -15.568 -17.441 1.00 0.00 O ATOM 629 CB ASN A 42 -8.826 -18.242 -16.017 1.00 0.00 C ATOM 630 CG ASN A 42 -8.593 -19.627 -16.627 1.00 0.00 C ATOM 631 OD1 ASN A 42 -7.532 -20.204 -16.497 1.00 0.00 O ATOM 632 ND2 ASN A 42 -9.557 -20.195 -17.299 1.00 0.00 N ATOM 0 H ASN A 42 -6.496 -17.679 -15.595 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.118 -17.476 -17.923 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.450 -18.214 -14.994 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.894 -18.027 -15.970 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.417 -21.118 -17.711 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.451 -19.716 -17.412 1.00 0.00 H new ATOM 639 N SER A 43 -8.362 -15.057 -15.808 1.00 0.00 N ATOM 640 CA SER A 43 -8.988 -13.732 -15.594 1.00 0.00 C ATOM 641 C SER A 43 -8.174 -12.928 -14.560 1.00 0.00 C ATOM 642 O SER A 43 -7.438 -13.500 -13.782 1.00 0.00 O ATOM 643 CB SER A 43 -10.408 -13.953 -15.045 1.00 0.00 C ATOM 644 OG SER A 43 -10.435 -13.206 -13.837 1.00 0.00 O ATOM 0 H SER A 43 -7.574 -15.271 -15.196 1.00 0.00 H new ATOM 0 HA SER A 43 -9.017 -13.181 -16.534 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.165 -13.603 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.605 -15.010 -14.864 1.00 0.00 H new ATOM 0 HG SER A 43 -11.317 -13.293 -13.418 1.00 0.00 H new ATOM 650 N PRO A 44 -8.318 -11.604 -14.567 1.00 0.00 N ATOM 651 CA PRO A 44 -7.586 -10.764 -13.619 1.00 0.00 C ATOM 652 C PRO A 44 -7.996 -11.075 -12.183 1.00 0.00 C ATOM 653 O PRO A 44 -9.077 -11.574 -11.941 1.00 0.00 O ATOM 654 CB PRO A 44 -8.002 -9.319 -13.963 1.00 0.00 C ATOM 655 CG PRO A 44 -9.113 -9.403 -15.053 1.00 0.00 C ATOM 656 CD PRO A 44 -9.201 -10.874 -15.496 1.00 0.00 C ATOM 0 HA PRO A 44 -6.511 -10.928 -13.692 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.372 -8.804 -13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.147 -8.750 -14.329 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.069 -9.062 -14.656 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.872 -8.760 -15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.225 -11.243 -15.440 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.875 -10.996 -16.529 1.00 0.00 H new ATOM 664 N VAL A 45 -7.130 -10.775 -11.255 1.00 0.00 N ATOM 665 CA VAL A 45 -7.472 -11.054 -9.840 1.00 0.00 C ATOM 666 C VAL A 45 -8.433 -10.015 -9.310 1.00 0.00 C ATOM 667 O VAL A 45 -9.615 -10.264 -9.190 1.00 0.00 O ATOM 668 CB VAL A 45 -6.184 -11.016 -8.999 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.542 -10.891 -7.517 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.409 -12.311 -9.212 1.00 0.00 C ATOM 0 H VAL A 45 -6.214 -10.355 -11.415 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.943 -12.035 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.578 -10.162 -9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.628 -10.864 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.107 -9.973 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.146 -11.747 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.495 -12.290 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.023 -13.157 -8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.154 -12.413 -10.267 1.00 0.00 H new ATOM 680 N GLN A 46 -7.918 -8.866 -9.002 1.00 0.00 N ATOM 681 CA GLN A 46 -8.808 -7.797 -8.472 1.00 0.00 C ATOM 682 C GLN A 46 -8.049 -6.496 -8.269 1.00 0.00 C ATOM 683 O GLN A 46 -6.925 -6.352 -8.706 1.00 0.00 O ATOM 684 CB GLN A 46 -9.360 -8.255 -7.109 1.00 0.00 C ATOM 685 CG GLN A 46 -10.887 -8.182 -7.138 1.00 0.00 C ATOM 686 CD GLN A 46 -11.433 -8.500 -5.745 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.735 -8.397 -4.756 1.00 0.00 O ATOM 688 NE2 GLN A 46 -12.672 -8.890 -5.623 1.00 0.00 N ATOM 0 H GLN A 46 -6.933 -8.618 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.609 -7.624 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.036 -9.274 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.968 -7.622 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.210 -7.189 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.283 -8.889 -7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.263 -8.978 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.050 -9.107 -4.701 1.00 0.00 H new ATOM 697 N GLU A 47 -8.683 -5.567 -7.603 1.00 0.00 N ATOM 698 CA GLU A 47 -8.020 -4.264 -7.356 1.00 0.00 C ATOM 699 C GLU A 47 -8.583 -3.593 -6.110 1.00 0.00 C ATOM 700 O GLU A 47 -9.557 -4.047 -5.543 1.00 0.00 O ATOM 701 CB GLU A 47 -8.283 -3.349 -8.562 1.00 0.00 C ATOM 702 CG GLU A 47 -9.787 -3.227 -8.793 1.00 0.00 C ATOM 703 CD GLU A 47 -10.119 -3.705 -10.209 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.018 -4.902 -10.414 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.453 -2.843 -11.007 1.00 0.00 O ATOM 0 H GLU A 47 -9.625 -5.658 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.953 -4.434 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.851 -2.364 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.800 -3.754 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.329 -3.823 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.105 -2.193 -8.662 1.00 0.00 H new ATOM 712 N PHE A 48 -7.953 -2.521 -5.702 1.00 0.00 N ATOM 713 CA PHE A 48 -8.439 -1.807 -4.494 1.00 0.00 C ATOM 714 C PHE A 48 -7.914 -0.380 -4.491 1.00 0.00 C ATOM 715 O PHE A 48 -6.736 -0.150 -4.685 1.00 0.00 O ATOM 716 CB PHE A 48 -7.943 -2.551 -3.238 1.00 0.00 C ATOM 717 CG PHE A 48 -6.456 -2.278 -3.015 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.045 -1.161 -2.310 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.501 -3.158 -3.494 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.703 -0.931 -2.088 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.159 -2.923 -3.270 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.764 -1.811 -2.567 1.00 0.00 C ATOM 0 H PHE A 48 -7.132 -2.116 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.529 -1.780 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.514 -2.229 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.111 -3.622 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.779 -0.465 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.807 -4.034 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.390 -0.057 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.420 -3.614 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.714 -1.629 -2.391 1.00 0.00 H new ATOM 732 N THR A 49 -8.803 0.561 -4.272 1.00 0.00 N ATOM 733 CA THR A 49 -8.372 1.980 -4.256 1.00 0.00 C ATOM 734 C THR A 49 -8.089 2.488 -2.846 1.00 0.00 C ATOM 735 O THR A 49 -8.493 1.896 -1.868 1.00 0.00 O ATOM 736 CB THR A 49 -9.488 2.828 -4.884 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.430 4.075 -4.223 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.873 2.268 -4.531 1.00 0.00 C ATOM 0 H THR A 49 -9.797 0.402 -4.106 1.00 0.00 H new ATOM 0 HA THR A 49 -7.443 2.060 -4.820 1.00 0.00 H new ATOM 0 HB THR A 49 -9.357 2.861 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.122 4.668 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.644 2.888 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.959 1.248 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.001 2.270 -3.449 1.00 0.00 H new ATOM 746 N VAL A 50 -7.389 3.594 -2.787 1.00 0.00 N ATOM 747 CA VAL A 50 -7.042 4.196 -1.476 1.00 0.00 C ATOM 748 C VAL A 50 -6.911 5.742 -1.645 1.00 0.00 C ATOM 749 O VAL A 50 -6.399 6.195 -2.649 1.00 0.00 O ATOM 750 CB VAL A 50 -5.668 3.599 -1.062 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.619 3.997 -2.099 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.236 4.123 0.310 1.00 0.00 C ATOM 0 H VAL A 50 -7.044 4.104 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.803 3.988 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.761 2.514 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.652 3.582 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.908 3.610 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.548 5.084 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.272 3.691 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.149 5.209 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.979 3.843 1.057 1.00 0.00 H new ATOM 762 N PRO A 51 -7.393 6.540 -0.668 1.00 0.00 N ATOM 763 CA PRO A 51 -7.299 8.009 -0.771 1.00 0.00 C ATOM 764 C PRO A 51 -5.854 8.527 -0.964 1.00 0.00 C ATOM 765 O PRO A 51 -5.594 9.697 -0.774 1.00 0.00 O ATOM 766 CB PRO A 51 -7.856 8.537 0.568 1.00 0.00 C ATOM 767 CG PRO A 51 -8.329 7.307 1.399 1.00 0.00 C ATOM 768 CD PRO A 51 -8.089 6.054 0.542 1.00 0.00 C ATOM 0 HA PRO A 51 -7.848 8.353 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.090 9.093 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.685 9.223 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.777 7.242 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.384 7.400 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.484 5.321 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.029 5.566 0.286 1.00 0.00 H new ATOM 776 N GLY A 52 -4.950 7.657 -1.333 1.00 0.00 N ATOM 777 CA GLY A 52 -3.537 8.108 -1.536 1.00 0.00 C ATOM 778 C GLY A 52 -2.910 8.584 -0.220 1.00 0.00 C ATOM 779 O GLY A 52 -1.791 9.060 -0.203 1.00 0.00 O ATOM 0 H GLY A 52 -5.123 6.666 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.947 7.289 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.512 8.917 -2.267 1.00 0.00 H new ATOM 783 N SER A 53 -3.637 8.444 0.849 1.00 0.00 N ATOM 784 CA SER A 53 -3.097 8.884 2.159 1.00 0.00 C ATOM 785 C SER A 53 -1.962 7.974 2.617 1.00 0.00 C ATOM 786 O SER A 53 -1.086 8.392 3.348 1.00 0.00 O ATOM 787 CB SER A 53 -4.229 8.813 3.191 1.00 0.00 C ATOM 788 OG SER A 53 -4.422 10.163 3.593 1.00 0.00 O ATOM 0 H SER A 53 -4.576 8.046 0.872 1.00 0.00 H new ATOM 0 HA SER A 53 -2.710 9.898 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.137 8.393 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.958 8.181 4.037 1.00 0.00 H new ATOM 0 HG SER A 53 -5.139 10.207 4.259 1.00 0.00 H new ATOM 794 N LYS A 54 -2.001 6.744 2.174 1.00 0.00 N ATOM 795 CA LYS A 54 -0.934 5.782 2.570 1.00 0.00 C ATOM 796 C LYS A 54 0.094 5.606 1.454 1.00 0.00 C ATOM 797 O LYS A 54 -0.254 5.550 0.291 1.00 0.00 O ATOM 798 CB LYS A 54 -1.597 4.424 2.847 1.00 0.00 C ATOM 799 CG LYS A 54 -2.452 4.532 4.118 1.00 0.00 C ATOM 800 CD LYS A 54 -1.609 4.144 5.342 1.00 0.00 C ATOM 801 CE LYS A 54 -1.755 2.641 5.601 1.00 0.00 C ATOM 802 NZ LYS A 54 -1.780 1.887 4.315 1.00 0.00 N ATOM 0 H LYS A 54 -2.722 6.367 1.559 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.421 6.164 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.217 4.129 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.837 3.652 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.827 5.549 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.321 3.878 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.562 4.395 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.934 4.709 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.928 2.291 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.672 2.450 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.914 0.874 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.564 2.233 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.880 2.028 3.813 1.00 0.00 H new ATOM 816 N SER A 55 1.346 5.524 1.833 1.00 0.00 N ATOM 817 CA SER A 55 2.414 5.350 0.814 1.00 0.00 C ATOM 818 C SER A 55 2.789 3.881 0.684 1.00 0.00 C ATOM 819 O SER A 55 3.252 3.442 -0.351 1.00 0.00 O ATOM 820 CB SER A 55 3.649 6.144 1.267 1.00 0.00 C ATOM 821 OG SER A 55 3.118 7.390 1.695 1.00 0.00 O ATOM 0 H SER A 55 1.668 5.570 2.800 1.00 0.00 H new ATOM 0 HA SER A 55 2.056 5.708 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.176 5.636 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.362 6.272 0.453 1.00 0.00 H new ATOM 0 HG SER A 55 3.847 7.966 2.007 1.00 0.00 H new ATOM 827 N THR A 56 2.578 3.157 1.748 1.00 0.00 N ATOM 828 CA THR A 56 2.902 1.702 1.749 1.00 0.00 C ATOM 829 C THR A 56 1.662 0.905 2.124 1.00 0.00 C ATOM 830 O THR A 56 0.745 1.437 2.719 1.00 0.00 O ATOM 831 CB THR A 56 3.993 1.443 2.796 1.00 0.00 C ATOM 832 OG1 THR A 56 3.402 1.752 4.040 1.00 0.00 O ATOM 833 CG2 THR A 56 5.140 2.453 2.652 1.00 0.00 C ATOM 0 H THR A 56 2.193 3.513 2.623 1.00 0.00 H new ATOM 0 HA THR A 56 3.245 1.400 0.759 1.00 0.00 H new ATOM 0 HB THR A 56 4.366 0.424 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.053 1.604 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.901 2.249 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.580 2.365 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.755 3.463 2.790 1.00 0.00 H new ATOM 841 N ALA A 57 1.639 -0.355 1.777 1.00 0.00 N ATOM 842 CA ALA A 57 0.438 -1.159 2.129 1.00 0.00 C ATOM 843 C ALA A 57 0.698 -2.658 2.034 1.00 0.00 C ATOM 844 O ALA A 57 1.653 -3.095 1.415 1.00 0.00 O ATOM 845 CB ALA A 57 -0.675 -0.799 1.136 1.00 0.00 C ATOM 0 H ALA A 57 2.379 -0.849 1.279 1.00 0.00 H new ATOM 0 HA ALA A 57 0.163 -0.932 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.571 -1.374 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.898 0.265 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.348 -1.032 0.123 1.00 0.00 H new ATOM 851 N THR A 58 -0.173 -3.418 2.660 1.00 0.00 N ATOM 852 CA THR A 58 -0.028 -4.899 2.640 1.00 0.00 C ATOM 853 C THR A 58 -1.096 -5.526 1.755 1.00 0.00 C ATOM 854 O THR A 58 -2.257 -5.173 1.839 1.00 0.00 O ATOM 855 CB THR A 58 -0.213 -5.428 4.071 1.00 0.00 C ATOM 856 OG1 THR A 58 0.801 -4.815 4.838 1.00 0.00 O ATOM 857 CG2 THR A 58 0.102 -6.930 4.142 1.00 0.00 C ATOM 0 H THR A 58 -0.977 -3.070 3.183 1.00 0.00 H new ATOM 0 HA THR A 58 0.957 -5.155 2.251 1.00 0.00 H new ATOM 0 HB THR A 58 -1.232 -5.234 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.733 -5.114 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.036 -7.283 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.569 -7.474 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.134 -7.100 3.835 1.00 0.00 H new ATOM 865 N ILE A 59 -0.679 -6.444 0.922 1.00 0.00 N ATOM 866 CA ILE A 59 -1.643 -7.120 0.012 1.00 0.00 C ATOM 867 C ILE A 59 -1.540 -8.633 0.167 1.00 0.00 C ATOM 868 O ILE A 59 -0.458 -9.173 0.259 1.00 0.00 O ATOM 869 CB ILE A 59 -1.295 -6.727 -1.434 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.953 -7.691 -2.413 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.230 -6.810 -1.613 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.246 -6.955 -3.727 1.00 0.00 C ATOM 0 H ILE A 59 0.289 -6.753 0.835 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.660 -6.815 0.257 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.653 -5.716 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.299 -8.543 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.877 -8.084 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.492 -6.534 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.716 -6.127 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.565 -7.828 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.717 -7.641 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.916 -6.117 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.313 -6.583 -4.152 1.00 0.00 H new ATOM 884 N SER A 60 -2.672 -9.289 0.205 1.00 0.00 N ATOM 885 CA SER A 60 -2.657 -10.768 0.356 1.00 0.00 C ATOM 886 C SER A 60 -3.680 -11.427 -0.556 1.00 0.00 C ATOM 887 O SER A 60 -4.872 -11.296 -0.359 1.00 0.00 O ATOM 888 CB SER A 60 -3.007 -11.108 1.810 1.00 0.00 C ATOM 889 OG SER A 60 -2.749 -12.500 1.912 1.00 0.00 O ATOM 0 H SER A 60 -3.597 -8.865 0.138 1.00 0.00 H new ATOM 0 HA SER A 60 -1.667 -11.137 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.397 -10.537 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.049 -10.878 2.033 1.00 0.00 H new ATOM 0 HG SER A 60 -1.781 -12.654 1.909 1.00 0.00 H new ATOM 895 N GLY A 61 -3.195 -12.129 -1.540 1.00 0.00 N ATOM 896 CA GLY A 61 -4.120 -12.809 -2.483 1.00 0.00 C ATOM 897 C GLY A 61 -3.350 -13.325 -3.698 1.00 0.00 C ATOM 898 O GLY A 61 -3.873 -13.360 -4.795 1.00 0.00 O ATOM 0 H GLY A 61 -2.202 -12.260 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.619 -13.638 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.898 -12.116 -2.804 1.00 0.00 H new ATOM 902 N LEU A 62 -2.117 -13.720 -3.468 1.00 0.00 N ATOM 903 CA LEU A 62 -1.283 -14.239 -4.587 1.00 0.00 C ATOM 904 C LEU A 62 -0.676 -15.591 -4.223 1.00 0.00 C ATOM 905 O LEU A 62 -1.206 -16.303 -3.392 1.00 0.00 O ATOM 906 CB LEU A 62 -0.152 -13.230 -4.857 1.00 0.00 C ATOM 907 CG LEU A 62 0.635 -12.988 -3.568 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.105 -13.337 -3.803 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.523 -11.512 -3.184 1.00 0.00 C ATOM 0 H LEU A 62 -1.660 -13.703 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.905 -14.367 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.511 -13.610 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.568 -12.291 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 62 0.234 -13.610 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.670 -13.166 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.189 -14.385 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.505 -12.709 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.082 -11.332 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.932 -10.896 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.525 -11.255 -3.028 1.00 0.00 H new ATOM 921 N LYS A 63 0.423 -15.929 -4.852 1.00 0.00 N ATOM 922 CA LYS A 63 1.060 -17.230 -4.545 1.00 0.00 C ATOM 923 C LYS A 63 2.598 -17.135 -4.695 1.00 0.00 C ATOM 924 O LYS A 63 3.098 -16.208 -5.297 1.00 0.00 O ATOM 925 CB LYS A 63 0.513 -18.262 -5.547 1.00 0.00 C ATOM 926 CG LYS A 63 -0.600 -19.073 -4.874 1.00 0.00 C ATOM 927 CD LYS A 63 -1.227 -20.018 -5.898 1.00 0.00 C ATOM 928 CE LYS A 63 -2.531 -20.576 -5.326 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.287 -21.216 -4.001 1.00 0.00 N ATOM 0 H LYS A 63 0.896 -15.362 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 63 0.837 -17.520 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.128 -17.758 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.313 -18.924 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.196 -19.642 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.358 -18.404 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.421 -19.488 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.539 -20.831 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.262 -19.774 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.956 -21.305 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.083 -21.844 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.408 -21.771 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.200 -20.480 -3.271 1.00 0.00 H new ATOM 943 N PRO A 64 3.328 -18.093 -4.108 1.00 0.00 N ATOM 944 CA PRO A 64 4.798 -18.101 -4.189 1.00 0.00 C ATOM 945 C PRO A 64 5.322 -18.542 -5.570 1.00 0.00 C ATOM 946 O PRO A 64 4.629 -19.184 -6.335 1.00 0.00 O ATOM 947 CB PRO A 64 5.230 -19.160 -3.154 1.00 0.00 C ATOM 948 CG PRO A 64 3.959 -19.966 -2.766 1.00 0.00 C ATOM 949 CD PRO A 64 2.751 -19.169 -3.274 1.00 0.00 C ATOM 0 HA PRO A 64 5.190 -17.099 -4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.991 -19.819 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.667 -18.684 -2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.981 -20.960 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.904 -20.103 -1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.077 -19.800 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.172 -18.760 -2.446 1.00 0.00 H new ATOM 957 N GLY A 65 6.551 -18.179 -5.836 1.00 0.00 N ATOM 958 CA GLY A 65 7.203 -18.537 -7.137 1.00 0.00 C ATOM 959 C GLY A 65 6.231 -18.545 -8.320 1.00 0.00 C ATOM 960 O GLY A 65 5.911 -19.590 -8.853 1.00 0.00 O ATOM 0 H GLY A 65 7.140 -17.642 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.006 -17.828 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.662 -19.521 -7.046 1.00 0.00 H new ATOM 964 N VAL A 66 5.779 -17.387 -8.706 1.00 0.00 N ATOM 965 CA VAL A 66 4.843 -17.322 -9.846 1.00 0.00 C ATOM 966 C VAL A 66 4.835 -15.920 -10.462 1.00 0.00 C ATOM 967 O VAL A 66 4.956 -14.926 -9.766 1.00 0.00 O ATOM 968 CB VAL A 66 3.447 -17.675 -9.337 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.142 -16.850 -8.091 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.415 -17.378 -10.429 1.00 0.00 C ATOM 0 H VAL A 66 6.018 -16.491 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 66 5.156 -18.025 -10.618 1.00 0.00 H new ATOM 0 HB VAL A 66 3.403 -18.735 -9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.146 -17.099 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.879 -17.071 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.183 -15.789 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.419 -17.630 -10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.451 -16.319 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.640 -17.973 -11.314 1.00 0.00 H new ATOM 980 N ASP A 67 4.708 -15.867 -11.763 1.00 0.00 N ATOM 981 CA ASP A 67 4.691 -14.549 -12.449 1.00 0.00 C ATOM 982 C ASP A 67 3.511 -13.707 -11.987 1.00 0.00 C ATOM 983 O ASP A 67 2.388 -14.172 -11.959 1.00 0.00 O ATOM 984 CB ASP A 67 4.558 -14.793 -13.964 1.00 0.00 C ATOM 985 CG ASP A 67 5.815 -14.283 -14.675 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.803 -13.113 -15.024 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.714 -15.092 -14.831 1.00 0.00 O ATOM 0 H ASP A 67 4.616 -16.678 -12.374 1.00 0.00 H new ATOM 0 HA ASP A 67 5.612 -14.016 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.422 -15.856 -14.161 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.676 -14.281 -14.350 1.00 0.00 H new ATOM 992 N TYR A 68 3.789 -12.477 -11.627 1.00 0.00 N ATOM 993 CA TYR A 68 2.707 -11.587 -11.166 1.00 0.00 C ATOM 994 C TYR A 68 2.923 -10.169 -11.675 1.00 0.00 C ATOM 995 O TYR A 68 4.032 -9.672 -11.671 1.00 0.00 O ATOM 996 CB TYR A 68 2.734 -11.563 -9.639 1.00 0.00 C ATOM 997 CG TYR A 68 1.540 -12.349 -9.115 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.535 -13.717 -9.189 1.00 0.00 C ATOM 999 CD2 TYR A 68 0.448 -11.704 -8.577 1.00 0.00 C ATOM 1000 CE1 TYR A 68 0.457 -14.443 -8.737 1.00 0.00 C ATOM 1001 CE2 TYR A 68 -0.635 -12.428 -8.123 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.638 -13.805 -8.203 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.728 -14.531 -7.776 1.00 0.00 O ATOM 0 H TYR A 68 4.721 -12.062 -11.637 1.00 0.00 H new ATOM 0 HA TYR A 68 1.753 -11.955 -11.543 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.663 -11.998 -9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.698 -10.536 -9.277 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.387 -14.232 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.440 -10.626 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.471 -15.521 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.486 -11.913 -7.702 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.433 -15.414 -7.469 1.00 0.00 H new ATOM 1013 N THR A 69 1.851 -9.544 -12.105 1.00 0.00 N ATOM 1014 CA THR A 69 1.962 -8.151 -12.624 1.00 0.00 C ATOM 1015 C THR A 69 1.085 -7.211 -11.815 1.00 0.00 C ATOM 1016 O THR A 69 -0.055 -7.521 -11.524 1.00 0.00 O ATOM 1017 CB THR A 69 1.484 -8.130 -14.082 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.523 -8.729 -14.827 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.411 -6.687 -14.611 1.00 0.00 C ATOM 0 H THR A 69 0.911 -9.940 -12.117 1.00 0.00 H new ATOM 0 HA THR A 69 3.000 -7.826 -12.549 1.00 0.00 H new ATOM 0 HB THR A 69 0.511 -8.616 -14.159 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.277 -8.748 -15.775 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.070 -6.696 -15.646 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.712 -6.112 -14.004 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.399 -6.230 -14.558 1.00 0.00 H new ATOM 1027 N ILE A 70 1.642 -6.076 -11.461 1.00 0.00 N ATOM 1028 CA ILE A 70 0.869 -5.084 -10.666 1.00 0.00 C ATOM 1029 C ILE A 70 0.924 -3.720 -11.335 1.00 0.00 C ATOM 1030 O ILE A 70 1.844 -3.426 -12.071 1.00 0.00 O ATOM 1031 CB ILE A 70 1.491 -5.005 -9.261 1.00 0.00 C ATOM 1032 CG1 ILE A 70 0.835 -3.852 -8.438 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.030 -4.810 -9.402 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.624 -2.518 -8.521 1.00 0.00 C ATOM 0 H ILE A 70 2.597 -5.800 -11.690 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.175 -5.390 -10.599 1.00 0.00 H new ATOM 0 HB ILE A 70 1.305 -5.931 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.181 -3.689 -8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.758 -4.157 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.482 -4.753 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.455 -5.653 -9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.231 -3.888 -9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.116 -1.757 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.632 -2.667 -8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.679 -2.192 -9.560 1.00 0.00 H new ATOM 1046 N THR A 71 -0.064 -2.909 -11.075 1.00 0.00 N ATOM 1047 CA THR A 71 -0.077 -1.561 -11.694 1.00 0.00 C ATOM 1048 C THR A 71 -0.739 -0.550 -10.778 1.00 0.00 C ATOM 1049 O THR A 71 -1.501 -0.910 -9.904 1.00 0.00 O ATOM 1050 CB THR A 71 -0.868 -1.650 -13.010 1.00 0.00 C ATOM 1051 OG1 THR A 71 0.029 -2.218 -13.943 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.177 -0.252 -13.581 1.00 0.00 C ATOM 0 H THR A 71 -0.854 -3.121 -10.466 1.00 0.00 H new ATOM 0 HA THR A 71 0.947 -1.235 -11.874 1.00 0.00 H new ATOM 0 HB THR A 71 -1.794 -2.199 -12.839 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.809 -2.577 -13.470 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.737 -0.354 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.770 0.312 -12.861 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.243 0.276 -13.776 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.442 0.709 -11.005 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.044 1.772 -10.155 1.00 0.00 C ATOM 1062 C VAL A 72 -1.441 2.981 -10.990 1.00 0.00 C ATOM 1063 O VAL A 72 -0.653 3.494 -11.768 1.00 0.00 O ATOM 1064 CB VAL A 72 0.006 2.228 -9.116 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.419 1.039 -8.250 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.234 2.763 -9.849 1.00 0.00 C ATOM 0 H VAL A 72 0.187 1.039 -11.737 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.933 1.367 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.420 3.008 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.159 1.362 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.455 0.645 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.848 0.261 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.979 3.087 -9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.655 1.976 -10.475 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.945 3.608 -10.474 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.665 3.403 -10.817 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.166 4.577 -11.572 1.00 0.00 C ATOM 1078 C TYR A 73 -3.324 5.757 -10.616 1.00 0.00 C ATOM 1079 O TYR A 73 -4.094 5.692 -9.673 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.544 4.218 -12.164 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.401 3.889 -13.652 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.739 2.746 -14.054 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.948 4.717 -14.612 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.626 2.436 -15.394 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.835 4.405 -15.951 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.173 3.264 -16.353 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.057 2.955 -17.694 1.00 0.00 O ATOM 0 H TYR A 73 -3.340 2.979 -10.180 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.469 4.843 -12.367 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.967 3.365 -11.633 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.235 5.051 -12.031 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.306 2.089 -13.314 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.468 5.615 -14.313 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.106 1.539 -15.694 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.269 5.061 -16.691 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.501 3.646 -18.229 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.585 6.808 -10.866 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.679 7.998 -9.977 1.00 0.00 C ATOM 1099 C ALA A 74 -3.701 8.991 -10.505 1.00 0.00 C ATOM 1100 O ALA A 74 -3.507 9.582 -11.551 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.302 8.679 -9.936 1.00 0.00 C ATOM 0 H ALA A 74 -1.927 6.891 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.989 7.676 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.348 9.555 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.562 7.980 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.018 8.986 -10.943 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.774 9.163 -9.763 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.831 10.113 -10.197 1.00 0.00 C ATOM 1109 C VAL A 75 -5.943 11.277 -9.225 1.00 0.00 C ATOM 1110 O VAL A 75 -6.394 11.117 -8.106 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.161 9.358 -10.234 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.964 9.816 -11.453 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.876 7.859 -10.354 1.00 0.00 C ATOM 0 H VAL A 75 -4.955 8.685 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.580 10.511 -11.180 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.728 9.557 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.913 9.281 -11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.153 10.887 -11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.399 9.606 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.818 7.311 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.318 7.667 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.289 7.530 -9.496 1.00 0.00 H new ATOM 1123 N THR A 76 -5.527 12.432 -9.681 1.00 0.00 N ATOM 1124 CA THR A 76 -5.588 13.638 -8.819 1.00 0.00 C ATOM 1125 C THR A 76 -6.698 14.571 -9.266 1.00 0.00 C ATOM 1126 O THR A 76 -7.809 14.499 -8.779 1.00 0.00 O ATOM 1127 CB THR A 76 -4.251 14.373 -8.942 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.976 14.416 -10.328 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.113 13.532 -8.352 1.00 0.00 C ATOM 0 H THR A 76 -5.148 12.586 -10.615 1.00 0.00 H new ATOM 0 HA THR A 76 -5.785 13.334 -7.791 1.00 0.00 H new ATOM 0 HB THR A 76 -4.312 15.340 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.126 14.880 -10.479 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.172 14.073 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.312 13.338 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.044 12.585 -8.888 1.00 0.00 H new ATOM 1137 N GLY A 77 -6.372 15.429 -10.183 1.00 0.00 N ATOM 1138 CA GLY A 77 -7.390 16.393 -10.694 1.00 0.00 C ATOM 1139 C GLY A 77 -7.166 17.773 -10.091 1.00 0.00 C ATOM 1140 O GLY A 77 -7.918 18.219 -9.244 1.00 0.00 O ATOM 0 H GLY A 77 -5.447 15.509 -10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.332 16.451 -11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.391 16.039 -10.447 1.00 0.00 H new ATOM 1144 N ARG A 78 -6.137 18.418 -10.540 1.00 0.00 N ATOM 1145 CA ARG A 78 -5.830 19.773 -10.016 1.00 0.00 C ATOM 1146 C ARG A 78 -6.745 20.811 -10.649 1.00 0.00 C ATOM 1147 O ARG A 78 -6.755 20.980 -11.854 1.00 0.00 O ATOM 1148 CB ARG A 78 -4.375 20.112 -10.377 1.00 0.00 C ATOM 1149 CG ARG A 78 -3.522 20.079 -9.110 1.00 0.00 C ATOM 1150 CD ARG A 78 -2.046 20.223 -9.493 1.00 0.00 C ATOM 1151 NE ARG A 78 -1.637 19.043 -10.306 1.00 0.00 N ATOM 1152 CZ ARG A 78 -0.907 19.221 -11.374 1.00 0.00 C ATOM 1153 NH1 ARG A 78 0.330 19.616 -11.234 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -1.438 19.000 -12.547 1.00 0.00 N ATOM 0 H ARG A 78 -5.492 18.068 -11.248 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.979 19.784 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.993 19.397 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.323 21.098 -10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.816 20.885 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.681 19.143 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.892 21.142 -10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.430 20.294 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.925 18.104 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.711 19.780 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.915 19.760 -12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.408 18.693 -12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.882 19.134 -13.392 1.00 0.00 H new ATOM 1168 N GLY A 79 -7.498 21.491 -9.828 1.00 0.00 N ATOM 1169 CA GLY A 79 -8.420 22.522 -10.376 1.00 0.00 C ATOM 1170 C GLY A 79 -9.517 21.855 -11.195 1.00 0.00 C ATOM 1171 O GLY A 79 -10.495 21.375 -10.659 1.00 0.00 O ATOM 0 H GLY A 79 -7.515 21.379 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.861 23.097 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.865 23.224 -10.999 1.00 0.00 H new ATOM 1175 N ASP A 80 -9.330 21.840 -12.479 1.00 0.00 N ATOM 1176 CA ASP A 80 -10.344 21.211 -13.356 1.00 0.00 C ATOM 1177 C ASP A 80 -9.683 20.549 -14.557 1.00 0.00 C ATOM 1178 O ASP A 80 -10.293 19.753 -15.243 1.00 0.00 O ATOM 1179 CB ASP A 80 -11.300 22.303 -13.859 1.00 0.00 C ATOM 1180 CG ASP A 80 -12.373 21.664 -14.744 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -13.196 20.964 -14.178 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -12.308 21.911 -15.937 1.00 0.00 O ATOM 0 H ASP A 80 -8.521 22.235 -12.958 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.882 20.452 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.764 22.814 -13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.748 23.055 -14.422 1.00 0.00 H new ATOM 1187 N SER A 81 -8.441 20.884 -14.792 1.00 0.00 N ATOM 1188 CA SER A 81 -7.734 20.278 -15.945 1.00 0.00 C ATOM 1189 C SER A 81 -7.301 18.819 -15.614 1.00 0.00 C ATOM 1190 O SER A 81 -6.825 18.565 -14.525 1.00 0.00 O ATOM 1191 CB SER A 81 -6.470 21.115 -16.214 1.00 0.00 C ATOM 1192 OG SER A 81 -5.559 20.191 -16.788 1.00 0.00 O ATOM 0 H SER A 81 -7.895 21.545 -14.239 1.00 0.00 H new ATOM 0 HA SER A 81 -8.395 20.261 -16.812 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.677 21.944 -16.891 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.074 21.546 -15.294 1.00 0.00 H new ATOM 0 HG SER A 81 -4.717 20.647 -16.994 1.00 0.00 H new ATOM 1198 N PRO A 82 -7.474 17.870 -16.560 1.00 0.00 N ATOM 1199 CA PRO A 82 -7.085 16.478 -16.304 1.00 0.00 C ATOM 1200 C PRO A 82 -5.584 16.362 -16.054 1.00 0.00 C ATOM 1201 O PRO A 82 -4.792 16.984 -16.737 1.00 0.00 O ATOM 1202 CB PRO A 82 -7.445 15.716 -17.596 1.00 0.00 C ATOM 1203 CG PRO A 82 -7.948 16.766 -18.630 1.00 0.00 C ATOM 1204 CD PRO A 82 -8.055 18.114 -17.897 1.00 0.00 C ATOM 0 HA PRO A 82 -7.590 16.084 -15.422 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.576 15.183 -17.982 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.216 14.970 -17.400 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.258 16.839 -19.470 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.915 16.472 -19.037 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.511 18.896 -18.427 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.092 18.442 -17.823 1.00 0.00 H new ATOM 1212 N ALA A 83 -5.222 15.564 -15.076 1.00 0.00 N ATOM 1213 CA ALA A 83 -3.778 15.389 -14.758 1.00 0.00 C ATOM 1214 C ALA A 83 -3.415 13.918 -14.645 1.00 0.00 C ATOM 1215 O ALA A 83 -2.254 13.569 -14.561 1.00 0.00 O ATOM 1216 CB ALA A 83 -3.492 16.067 -13.413 1.00 0.00 C ATOM 0 H ALA A 83 -5.865 15.031 -14.490 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.187 15.832 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.438 15.949 -13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.732 17.128 -13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.103 15.607 -12.636 1.00 0.00 H new ATOM 1222 N SER A 84 -4.409 13.077 -14.642 1.00 0.00 N ATOM 1223 CA SER A 84 -4.122 11.629 -14.532 1.00 0.00 C ATOM 1224 C SER A 84 -3.695 11.067 -15.876 1.00 0.00 C ATOM 1225 O SER A 84 -4.352 10.208 -16.431 1.00 0.00 O ATOM 1226 CB SER A 84 -5.404 10.919 -14.088 1.00 0.00 C ATOM 1227 OG SER A 84 -4.958 9.655 -13.624 1.00 0.00 O ATOM 0 H SER A 84 -5.395 13.329 -14.710 1.00 0.00 H new ATOM 0 HA SER A 84 -3.317 11.474 -13.813 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.915 11.474 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.108 10.815 -14.914 1.00 0.00 H new ATOM 0 HG SER A 84 -4.178 9.776 -13.044 1.00 0.00 H new ATOM 1233 N SER A 85 -2.595 11.569 -16.368 1.00 0.00 N ATOM 1234 CA SER A 85 -2.076 11.095 -17.679 1.00 0.00 C ATOM 1235 C SER A 85 -0.709 10.441 -17.523 1.00 0.00 C ATOM 1236 O SER A 85 0.124 10.552 -18.402 1.00 0.00 O ATOM 1237 CB SER A 85 -1.927 12.312 -18.609 1.00 0.00 C ATOM 1238 OG SER A 85 -1.158 13.236 -17.852 1.00 0.00 O ATOM 0 H SER A 85 -2.033 12.290 -15.915 1.00 0.00 H new ATOM 0 HA SER A 85 -2.771 10.362 -18.088 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.425 12.044 -19.539 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.898 12.728 -18.879 1.00 0.00 H new ATOM 0 HG SER A 85 -1.013 14.050 -18.378 1.00 0.00 H new ATOM 1244 N LYS A 86 -0.489 9.767 -16.410 1.00 0.00 N ATOM 1245 CA LYS A 86 0.835 9.115 -16.220 1.00 0.00 C ATOM 1246 C LYS A 86 0.772 7.759 -15.480 1.00 0.00 C ATOM 1247 O LYS A 86 1.635 7.465 -14.677 1.00 0.00 O ATOM 1248 CB LYS A 86 1.710 10.070 -15.397 1.00 0.00 C ATOM 1249 CG LYS A 86 3.186 9.708 -15.605 1.00 0.00 C ATOM 1250 CD LYS A 86 3.798 10.660 -16.643 1.00 0.00 C ATOM 1251 CE LYS A 86 5.091 10.046 -17.190 1.00 0.00 C ATOM 1252 NZ LYS A 86 4.791 9.126 -18.326 1.00 0.00 N ATOM 0 H LYS A 86 -1.157 9.647 -15.648 1.00 0.00 H new ATOM 0 HA LYS A 86 1.238 8.910 -17.212 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.530 11.101 -15.701 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.451 10.000 -14.340 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.727 9.782 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.275 8.676 -15.943 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.092 10.834 -17.455 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.005 11.629 -16.188 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.764 10.836 -17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.605 9.501 -16.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.677 8.718 -18.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.166 8.362 -17.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.320 9.656 -19.087 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.241 6.950 -15.757 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.359 5.650 -15.099 1.00 0.00 C ATOM 1268 C PRO A 87 0.907 4.835 -15.358 1.00 0.00 C ATOM 1269 O PRO A 87 1.642 5.133 -16.277 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.564 4.969 -15.790 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.054 5.939 -16.913 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.299 7.260 -16.726 1.00 0.00 C ATOM 0 HA PRO A 87 -0.491 5.735 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.274 4.007 -16.211 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.361 4.775 -15.072 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.857 5.518 -17.899 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.130 6.097 -16.844 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.881 7.614 -17.668 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.959 8.044 -16.355 1.00 0.00 H new ATOM 1280 N ILE A 88 1.157 3.831 -14.557 1.00 0.00 N ATOM 1281 CA ILE A 88 2.389 3.031 -14.801 1.00 0.00 C ATOM 1282 C ILE A 88 2.233 1.597 -14.328 1.00 0.00 C ATOM 1283 O ILE A 88 1.802 1.343 -13.221 1.00 0.00 O ATOM 1284 CB ILE A 88 3.565 3.681 -14.062 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.795 2.767 -14.160 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.184 3.865 -12.573 1.00 0.00 C ATOM 1287 CD1 ILE A 88 6.066 3.571 -13.853 1.00 0.00 C ATOM 0 H ILE A 88 0.580 3.538 -13.768 1.00 0.00 H new ATOM 0 HA ILE A 88 2.572 3.013 -15.875 1.00 0.00 H new ATOM 0 HB ILE A 88 3.793 4.649 -14.509 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.700 1.938 -13.459 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.860 2.335 -15.158 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.015 4.327 -12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.305 4.505 -12.499 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.964 2.893 -12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.936 2.918 -13.924 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.164 4.385 -14.571 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.002 3.982 -12.845 1.00 0.00 H new ATOM 1299 N SER A 89 2.596 0.683 -15.196 1.00 0.00 N ATOM 1300 CA SER A 89 2.492 -0.756 -14.855 1.00 0.00 C ATOM 1301 C SER A 89 3.865 -1.418 -14.888 1.00 0.00 C ATOM 1302 O SER A 89 4.716 -1.046 -15.673 1.00 0.00 O ATOM 1303 CB SER A 89 1.602 -1.430 -15.908 1.00 0.00 C ATOM 1304 OG SER A 89 2.234 -1.121 -17.141 1.00 0.00 O ATOM 0 H SER A 89 2.960 0.881 -16.128 1.00 0.00 H new ATOM 0 HA SER A 89 2.075 -0.860 -13.853 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.542 -2.507 -15.749 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.583 -1.045 -15.875 1.00 0.00 H new ATOM 0 HG SER A 89 1.726 -1.520 -17.878 1.00 0.00 H new ATOM 1310 N ILE A 90 4.058 -2.390 -14.034 1.00 0.00 N ATOM 1311 CA ILE A 90 5.370 -3.088 -14.003 1.00 0.00 C ATOM 1312 C ILE A 90 5.197 -4.574 -13.728 1.00 0.00 C ATOM 1313 O ILE A 90 4.381 -4.971 -12.916 1.00 0.00 O ATOM 1314 CB ILE A 90 6.224 -2.486 -12.883 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.327 -1.987 -11.755 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.013 -1.295 -13.457 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.098 -2.048 -10.435 1.00 0.00 C ATOM 0 H ILE A 90 3.367 -2.726 -13.363 1.00 0.00 H new ATOM 0 HA ILE A 90 5.848 -2.963 -14.974 1.00 0.00 H new ATOM 0 HB ILE A 90 6.903 -3.244 -12.492 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.005 -0.965 -11.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.427 -2.598 -11.693 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.627 -0.854 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.654 -1.640 -14.269 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.317 -0.547 -13.837 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.461 -1.692 -9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.398 -3.077 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.985 -1.418 -10.502 1.00 0.00 H new ATOM 1329 N ASN A 91 5.972 -5.369 -14.417 1.00 0.00 N ATOM 1330 CA ASN A 91 5.884 -6.830 -14.224 1.00 0.00 C ATOM 1331 C ASN A 91 6.981 -7.309 -13.279 1.00 0.00 C ATOM 1332 O ASN A 91 8.015 -6.681 -13.160 1.00 0.00 O ATOM 1333 CB ASN A 91 6.081 -7.501 -15.589 1.00 0.00 C ATOM 1334 CG ASN A 91 6.717 -6.501 -16.559 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.055 -5.642 -17.105 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.998 -6.579 -16.800 1.00 0.00 N ATOM 0 H ASN A 91 6.660 -5.061 -15.104 1.00 0.00 H new ATOM 0 HA ASN A 91 4.915 -7.084 -13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.717 -8.380 -15.486 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.123 -7.845 -15.979 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.437 -5.921 -17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.560 -7.298 -16.345 1.00 0.00 H new ATOM 1343 N TYR A 92 6.740 -8.410 -12.620 1.00 0.00 N ATOM 1344 CA TYR A 92 7.771 -8.930 -11.683 1.00 0.00 C ATOM 1345 C TYR A 92 7.425 -10.334 -11.210 1.00 0.00 C ATOM 1346 O TYR A 92 6.281 -10.638 -10.930 1.00 0.00 O ATOM 1347 CB TYR A 92 7.830 -7.996 -10.459 1.00 0.00 C ATOM 1348 CG TYR A 92 9.046 -8.357 -9.587 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.331 -8.261 -10.090 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.871 -8.778 -8.281 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.418 -8.581 -9.302 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.961 -9.097 -7.496 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.242 -9.001 -8.000 1.00 0.00 C ATOM 1354 OH TYR A 92 12.332 -9.320 -7.214 1.00 0.00 O ATOM 0 H TYR A 92 5.886 -8.964 -12.689 1.00 0.00 H new ATOM 0 HA TYR A 92 8.730 -8.966 -12.200 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.900 -6.958 -10.785 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.913 -8.086 -9.876 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.485 -7.933 -11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.874 -8.858 -7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.415 -8.502 -9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.810 -9.425 -6.478 1.00 0.00 H new ATOM 0 HH TYR A 92 12.025 -9.595 -6.325 1.00 0.00 H new ATOM 1364 N ARG A 93 8.426 -11.169 -11.131 1.00 0.00 N ATOM 1365 CA ARG A 93 8.186 -12.557 -10.678 1.00 0.00 C ATOM 1366 C ARG A 93 8.283 -12.644 -9.163 1.00 0.00 C ATOM 1367 O ARG A 93 9.337 -12.423 -8.598 1.00 0.00 O ATOM 1368 CB ARG A 93 9.259 -13.471 -11.302 1.00 0.00 C ATOM 1369 CG ARG A 93 10.645 -13.023 -10.830 1.00 0.00 C ATOM 1370 CD ARG A 93 11.650 -13.219 -11.969 1.00 0.00 C ATOM 1371 NE ARG A 93 13.031 -13.080 -11.425 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.696 -11.978 -11.637 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.971 -11.633 -12.864 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.065 -11.258 -10.615 1.00 0.00 N ATOM 0 H ARG A 93 9.394 -10.945 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 93 7.188 -12.869 -10.987 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.082 -14.507 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.201 -13.428 -12.390 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.619 -11.976 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.949 -13.600 -9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.520 -14.202 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.478 -12.482 -12.754 1.00 0.00 H new ATOM 0 HE ARG A 93 13.452 -13.840 -10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.667 -12.222 -13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.490 -10.775 -13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.833 -11.559 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.586 -10.393 -10.762 1.00 0.00 H new ATOM 1388 N THR A 94 7.175 -12.962 -8.531 1.00 0.00 N ATOM 1389 CA THR A 94 7.175 -13.069 -7.042 1.00 0.00 C ATOM 1390 C THR A 94 6.753 -14.465 -6.604 1.00 0.00 C ATOM 1391 O THR A 94 5.645 -14.832 -6.961 1.00 0.00 O ATOM 1392 CB THR A 94 6.167 -12.050 -6.480 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.503 -11.522 -7.608 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.882 -10.832 -5.847 1.00 0.00 C ATOM 1395 OXT THR A 94 7.559 -15.090 -5.936 1.00 0.00 O ATOM 0 H THR A 94 6.279 -13.150 -8.982 1.00 0.00 H new ATOM 0 HA THR A 94 8.180 -12.871 -6.670 1.00 0.00 H new ATOM 0 HB THR A 94 5.534 -12.539 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.840 -10.862 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.139 -10.134 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.522 -11.169 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.490 -10.334 -6.602 1.00 0.00 H new TER 1403 THR A 94