USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 52 SER OG : rot 68:sc= 0.00125 USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0646 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0081 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 176:sc= -2.15! (180deg=-2.28!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.478 K(o=0.48,f=-0.58) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00316) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD Single : A 35 THR OG1 : rot -163:sc= 0.159 USER MOD Single : A 38 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.8!) USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -0.0881 (180deg=-0.388) USER MOD Single : A 46 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.2!) USER MOD Single : A 47 ASN : amide:sc= -0.441 X(o=-0.44,f=0.0017) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 138:sc= -3.56! (180deg=-8.06!) USER MOD Single : A 62 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.88) USER MOD Single : A 63 TYR OH : rot 30:sc= -0.176 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0405 X(o=-0.04,f=-0.25) USER MOD Single : A 80 MET CE :methyl -147:sc= -1.65 (180deg=-3.52) USER MOD Single : A 82 TYR OH : rot -30:sc= -1.57 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 36:sc= 0.145 USER MOD Single : A 95 SER OG : rot 37:sc= 0.606 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.379 16.153 7.625 1.00 0.00 N ATOM 2 CA GLY A 1 16.470 17.305 7.872 1.00 0.00 C ATOM 3 C GLY A 1 15.007 16.924 7.768 1.00 0.00 C ATOM 4 O GLY A 1 14.666 15.740 7.764 1.00 0.00 O ATOM 0 H1 GLY A 1 18.059 16.074 8.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.821 15.278 7.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.893 16.301 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.666 17.712 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.688 18.096 7.154 1.00 0.00 H new ATOM 10 N SER A 2 14.139 17.927 7.684 1.00 0.00 N ATOM 11 CA SER A 2 12.704 17.690 7.580 1.00 0.00 C ATOM 12 C SER A 2 12.119 18.411 6.370 1.00 0.00 C ATOM 13 O SER A 2 12.310 19.615 6.199 1.00 0.00 O ATOM 14 CB SER A 2 11.996 18.153 8.854 1.00 0.00 C ATOM 15 OG SER A 2 10.955 17.261 9.213 1.00 0.00 O ATOM 0 H SER A 2 14.405 18.912 7.686 1.00 0.00 H new ATOM 0 HA SER A 2 12.547 16.619 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.716 18.223 9.669 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.587 19.152 8.704 1.00 0.00 H new ATOM 0 HG SER A 2 10.520 17.579 10.031 1.00 0.00 H new ATOM 21 N SER A 3 11.407 17.666 5.531 1.00 0.00 N ATOM 22 CA SER A 3 10.794 18.234 4.336 1.00 0.00 C ATOM 23 C SER A 3 9.615 17.385 3.872 1.00 0.00 C ATOM 24 O SER A 3 9.374 17.240 2.674 1.00 0.00 O ATOM 25 CB SER A 3 11.827 18.350 3.213 1.00 0.00 C ATOM 26 OG SER A 3 12.126 17.079 2.662 1.00 0.00 O ATOM 0 H SER A 3 11.240 16.668 5.657 1.00 0.00 H new ATOM 0 HA SER A 3 10.425 19.229 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.447 19.008 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.739 18.806 3.599 1.00 0.00 H new ATOM 0 HG SER A 3 12.787 17.180 1.946 1.00 0.00 H new ATOM 32 N GLY A 4 8.884 16.824 4.830 1.00 0.00 N ATOM 33 CA GLY A 4 7.739 15.997 4.500 1.00 0.00 C ATOM 34 C GLY A 4 8.044 14.516 4.606 1.00 0.00 C ATOM 35 O GLY A 4 9.119 14.127 5.060 1.00 0.00 O ATOM 0 H GLY A 4 9.064 16.928 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.913 16.243 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.410 16.225 3.486 1.00 0.00 H new ATOM 39 N SER A 5 7.094 13.686 4.186 1.00 0.00 N ATOM 40 CA SER A 5 7.266 12.239 4.236 1.00 0.00 C ATOM 41 C SER A 5 7.471 11.667 2.837 1.00 0.00 C ATOM 42 O SER A 5 7.069 12.270 1.843 1.00 0.00 O ATOM 43 CB SER A 5 6.051 11.581 4.894 1.00 0.00 C ATOM 44 OG SER A 5 6.248 11.427 6.288 1.00 0.00 O ATOM 0 H SER A 5 6.197 13.991 3.807 1.00 0.00 H new ATOM 0 HA SER A 5 8.154 12.025 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.163 12.187 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.870 10.607 4.439 1.00 0.00 H new ATOM 0 HG SER A 5 5.457 11.006 6.686 1.00 0.00 H new ATOM 50 N SER A 6 8.103 10.499 2.767 1.00 0.00 N ATOM 51 CA SER A 6 8.363 9.846 1.490 1.00 0.00 C ATOM 52 C SER A 6 7.286 8.811 1.178 1.00 0.00 C ATOM 53 O SER A 6 7.583 7.713 0.710 1.00 0.00 O ATOM 54 CB SER A 6 9.740 9.177 1.507 1.00 0.00 C ATOM 55 OG SER A 6 10.728 10.058 2.014 1.00 0.00 O ATOM 0 H SER A 6 8.444 9.986 3.580 1.00 0.00 H new ATOM 0 HA SER A 6 8.346 10.608 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.703 8.276 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.009 8.866 0.498 1.00 0.00 H new ATOM 0 HG SER A 6 11.598 9.607 2.016 1.00 0.00 H new ATOM 61 N GLY A 7 6.033 9.172 1.440 1.00 0.00 N ATOM 62 CA GLY A 7 4.931 8.264 1.181 1.00 0.00 C ATOM 63 C GLY A 7 3.583 8.886 1.483 1.00 0.00 C ATOM 64 O GLY A 7 3.507 10.010 1.976 1.00 0.00 O ATOM 0 H GLY A 7 5.762 10.076 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.958 7.953 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.056 7.365 1.784 1.00 0.00 H new ATOM 68 N ASP A 8 2.516 8.151 1.186 1.00 0.00 N ATOM 69 CA ASP A 8 1.162 8.637 1.428 1.00 0.00 C ATOM 70 C ASP A 8 0.269 7.517 1.954 1.00 0.00 C ATOM 71 O ASP A 8 -0.899 7.412 1.579 1.00 0.00 O ATOM 72 CB ASP A 8 0.569 9.217 0.142 1.00 0.00 C ATOM 73 CG ASP A 8 1.396 10.362 -0.409 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.946 11.141 0.397 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.491 10.480 -1.649 1.00 0.00 O ATOM 0 H ASP A 8 2.563 7.217 0.778 1.00 0.00 H new ATOM 0 HA ASP A 8 1.213 9.422 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.496 8.430 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.445 9.566 0.337 1.00 0.00 H new ATOM 80 N MET A 9 0.826 6.682 2.826 1.00 0.00 N ATOM 81 CA MET A 9 0.081 5.570 3.404 1.00 0.00 C ATOM 82 C MET A 9 -0.501 5.952 4.763 1.00 0.00 C ATOM 83 O MET A 9 -1.545 5.441 5.167 1.00 0.00 O ATOM 84 CB MET A 9 0.985 4.342 3.545 1.00 0.00 C ATOM 85 CG MET A 9 0.674 3.242 2.544 1.00 0.00 C ATOM 86 SD MET A 9 -0.647 2.149 3.100 1.00 0.00 S ATOM 87 CE MET A 9 -1.015 1.264 1.588 1.00 0.00 C ATOM 0 H MET A 9 1.791 6.755 3.148 1.00 0.00 H new ATOM 0 HA MET A 9 -0.744 5.328 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.024 4.650 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.887 3.942 4.554 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.391 3.692 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.574 2.655 2.364 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.766 0.499 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.397 1.961 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.107 0.792 1.213 1.00 0.00 H new ATOM 97 N LYS A 10 0.183 6.852 5.462 1.00 0.00 N ATOM 98 CA LYS A 10 -0.267 7.300 6.775 1.00 0.00 C ATOM 99 C LYS A 10 -1.628 7.983 6.682 1.00 0.00 C ATOM 100 O LYS A 10 -2.412 7.959 7.631 1.00 0.00 O ATOM 101 CB LYS A 10 0.756 8.257 7.388 1.00 0.00 C ATOM 102 CG LYS A 10 2.088 7.599 7.711 1.00 0.00 C ATOM 103 CD LYS A 10 2.649 8.095 9.035 1.00 0.00 C ATOM 104 CE LYS A 10 2.063 7.328 10.210 1.00 0.00 C ATOM 105 NZ LYS A 10 1.765 8.222 11.362 1.00 0.00 N ATOM 0 H LYS A 10 1.049 7.285 5.142 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.365 6.424 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.926 9.084 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.340 8.684 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.960 6.517 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.800 7.806 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.734 7.989 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.433 9.157 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.149 6.824 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.763 6.553 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.367 7.662 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.641 8.684 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.078 8.946 11.071 1.00 0.00 H new ATOM 119 N GLN A 11 -1.903 8.595 5.534 1.00 0.00 N ATOM 120 CA GLN A 11 -3.168 9.287 5.319 1.00 0.00 C ATOM 121 C GLN A 11 -4.314 8.292 5.151 1.00 0.00 C ATOM 122 O GLN A 11 -5.456 8.581 5.507 1.00 0.00 O ATOM 123 CB GLN A 11 -3.078 10.189 4.089 1.00 0.00 C ATOM 124 CG GLN A 11 -2.715 9.446 2.813 1.00 0.00 C ATOM 125 CD GLN A 11 -3.574 9.856 1.633 1.00 0.00 C ATOM 126 OE1 GLN A 11 -3.490 10.987 1.153 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.408 8.938 1.159 1.00 0.00 N ATOM 0 H GLN A 11 -1.266 8.625 4.738 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.370 9.900 6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.035 10.692 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.334 10.965 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.667 9.630 2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.821 8.374 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.445 8.013 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.012 9.158 0.367 1.00 0.00 H new ATOM 136 N LEU A 12 -4.000 7.121 4.605 1.00 0.00 N ATOM 137 CA LEU A 12 -5.006 6.086 4.390 1.00 0.00 C ATOM 138 C LEU A 12 -5.645 5.665 5.710 1.00 0.00 C ATOM 139 O LEU A 12 -5.010 5.716 6.763 1.00 0.00 O ATOM 140 CB LEU A 12 -4.379 4.871 3.701 1.00 0.00 C ATOM 141 CG LEU A 12 -4.466 4.877 2.175 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.392 3.981 1.577 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.848 4.434 1.719 1.00 0.00 C ATOM 0 H LEU A 12 -3.060 6.865 4.304 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.784 6.498 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.330 4.810 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.865 3.970 4.074 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.298 5.895 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.469 3.997 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.408 4.342 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.528 2.961 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.892 4.444 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.044 3.425 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.599 5.115 2.119 1.00 0.00 H new ATOM 155 N ALA A 13 -6.906 5.250 5.644 1.00 0.00 N ATOM 156 CA ALA A 13 -7.633 4.821 6.833 1.00 0.00 C ATOM 157 C ALA A 13 -7.415 3.336 7.103 1.00 0.00 C ATOM 158 O ALA A 13 -7.192 2.552 6.181 1.00 0.00 O ATOM 159 CB ALA A 13 -9.116 5.119 6.679 1.00 0.00 C ATOM 0 H ALA A 13 -7.445 5.202 4.780 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.248 5.379 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.647 4.794 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.259 6.191 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.506 4.586 5.812 1.00 0.00 H new ATOM 165 N GLU A 14 -7.482 2.956 8.375 1.00 0.00 N ATOM 166 CA GLU A 14 -7.293 1.564 8.768 1.00 0.00 C ATOM 167 C GLU A 14 -8.325 0.664 8.096 1.00 0.00 C ATOM 168 O GLU A 14 -8.047 -0.496 7.792 1.00 0.00 O ATOM 169 CB GLU A 14 -7.389 1.424 10.289 1.00 0.00 C ATOM 170 CG GLU A 14 -8.757 1.781 10.847 1.00 0.00 C ATOM 171 CD GLU A 14 -8.671 2.614 12.111 1.00 0.00 C ATOM 172 OE1 GLU A 14 -7.748 2.377 12.917 1.00 0.00 O ATOM 173 OE2 GLU A 14 -9.528 3.504 12.294 1.00 0.00 O ATOM 0 H GLU A 14 -7.666 3.592 9.151 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.300 1.252 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.149 0.398 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.638 2.064 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.321 2.329 10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.310 0.866 11.056 1.00 0.00 H new ATOM 180 N ASP A 15 -9.516 1.207 7.869 1.00 0.00 N ATOM 181 CA ASP A 15 -10.590 0.453 7.232 1.00 0.00 C ATOM 182 C ASP A 15 -10.205 0.048 5.813 1.00 0.00 C ATOM 183 O ASP A 15 -10.651 -0.982 5.308 1.00 0.00 O ATOM 184 CB ASP A 15 -11.877 1.282 7.208 1.00 0.00 C ATOM 185 CG ASP A 15 -12.781 0.981 8.387 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.566 1.572 9.465 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.703 0.154 8.232 1.00 0.00 O ATOM 0 H ASP A 15 -9.762 2.165 8.116 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.759 -0.453 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.623 2.342 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.416 1.085 6.281 1.00 0.00 H new ATOM 192 N VAL A 16 -9.372 0.866 5.175 1.00 0.00 N ATOM 193 CA VAL A 16 -8.926 0.591 3.815 1.00 0.00 C ATOM 194 C VAL A 16 -7.911 -0.547 3.788 1.00 0.00 C ATOM 195 O VAL A 16 -7.990 -1.442 2.946 1.00 0.00 O ATOM 196 CB VAL A 16 -8.297 1.839 3.166 1.00 0.00 C ATOM 197 CG1 VAL A 16 -7.999 1.586 1.696 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.212 3.044 3.331 1.00 0.00 C ATOM 0 H VAL A 16 -8.994 1.723 5.578 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.809 0.301 3.246 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.355 2.053 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.555 2.479 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.303 0.752 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.925 1.345 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.752 3.916 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.170 2.841 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.370 3.238 4.392 1.00 0.00 H new ATOM 208 N LYS A 17 -6.959 -0.506 4.714 1.00 0.00 N ATOM 209 CA LYS A 17 -5.927 -1.535 4.797 1.00 0.00 C ATOM 210 C LYS A 17 -6.457 -2.786 5.492 1.00 0.00 C ATOM 211 O LYS A 17 -5.995 -3.895 5.228 1.00 0.00 O ATOM 212 CB LYS A 17 -4.705 -1.002 5.545 1.00 0.00 C ATOM 213 CG LYS A 17 -4.106 0.249 4.921 1.00 0.00 C ATOM 214 CD LYS A 17 -4.357 1.480 5.779 1.00 0.00 C ATOM 215 CE LYS A 17 -3.126 2.370 5.854 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.912 2.907 7.225 1.00 0.00 N ATOM 0 H LYS A 17 -6.880 0.228 5.418 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.635 -1.803 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.987 -0.785 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.943 -1.781 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.033 0.111 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.534 0.402 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.192 2.047 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.645 1.171 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.248 1.802 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.233 3.197 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.064 3.508 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.738 3.470 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.784 2.118 7.891 1.00 0.00 H new ATOM 230 N LEU A 18 -7.427 -2.598 6.381 1.00 0.00 N ATOM 231 CA LEU A 18 -8.018 -3.712 7.115 1.00 0.00 C ATOM 232 C LEU A 18 -8.594 -4.753 6.160 1.00 0.00 C ATOM 233 O LEU A 18 -8.502 -5.955 6.408 1.00 0.00 O ATOM 234 CB LEU A 18 -9.113 -3.205 8.057 1.00 0.00 C ATOM 235 CG LEU A 18 -8.628 -2.773 9.442 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.663 -1.888 10.117 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.320 -3.989 10.302 1.00 0.00 C ATOM 0 H LEU A 18 -7.820 -1.685 6.611 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.231 -4.184 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.615 -2.360 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.859 -3.991 8.179 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.711 -2.197 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.301 -1.590 11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.834 -0.999 9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.597 -2.439 10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.976 -3.663 11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.221 -4.592 10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.542 -4.585 9.825 1.00 0.00 H new ATOM 249 N GLN A 19 -9.189 -4.283 5.069 1.00 0.00 N ATOM 250 CA GLN A 19 -9.780 -5.174 4.077 1.00 0.00 C ATOM 251 C GLN A 19 -8.700 -5.843 3.232 1.00 0.00 C ATOM 252 O GLN A 19 -8.872 -6.968 2.765 1.00 0.00 O ATOM 253 CB GLN A 19 -10.743 -4.399 3.176 1.00 0.00 C ATOM 254 CG GLN A 19 -11.814 -3.640 3.940 1.00 0.00 C ATOM 255 CD GLN A 19 -12.522 -2.609 3.082 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.055 -2.928 2.019 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.531 -1.362 3.541 1.00 0.00 N ATOM 0 H GLN A 19 -9.275 -3.291 4.849 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.333 -5.950 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.173 -3.695 2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.223 -5.095 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.546 -4.347 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.360 -3.144 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.077 -1.141 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.992 -0.625 3.007 1.00 0.00 H new ATOM 266 N LEU A 20 -7.588 -5.142 3.038 1.00 0.00 N ATOM 267 CA LEU A 20 -6.481 -5.668 2.248 1.00 0.00 C ATOM 268 C LEU A 20 -5.911 -6.932 2.882 1.00 0.00 C ATOM 269 O LEU A 20 -5.421 -7.821 2.185 1.00 0.00 O ATOM 270 CB LEU A 20 -5.381 -4.614 2.109 1.00 0.00 C ATOM 271 CG LEU A 20 -5.599 -3.593 0.991 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.729 -2.364 1.212 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.308 -4.217 -0.365 1.00 0.00 C ATOM 0 H LEU A 20 -7.430 -4.208 3.417 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.862 -5.920 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.289 -4.080 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.432 -5.122 1.936 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.643 -3.281 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.898 -1.649 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.986 -1.903 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.679 -2.658 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.468 -3.476 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.273 -4.558 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.974 -5.065 -0.526 1.00 0.00 H new ATOM 285 N TYR A 21 -5.980 -7.006 4.207 1.00 0.00 N ATOM 286 CA TYR A 21 -5.470 -8.163 4.935 1.00 0.00 C ATOM 287 C TYR A 21 -6.297 -9.408 4.630 1.00 0.00 C ATOM 288 O TYR A 21 -5.766 -10.516 4.561 1.00 0.00 O ATOM 289 CB TYR A 21 -5.478 -7.887 6.440 1.00 0.00 C ATOM 290 CG TYR A 21 -4.768 -6.610 6.827 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.559 -6.259 6.239 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.306 -5.754 7.780 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.907 -5.092 6.590 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.660 -4.586 8.136 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.461 -4.259 7.539 1.00 0.00 C ATOM 296 OH TYR A 21 -2.814 -3.097 7.890 1.00 0.00 O ATOM 0 H TYR A 21 -6.384 -6.280 4.798 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.445 -8.343 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.510 -7.837 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.009 -8.724 6.957 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.122 -6.909 5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.245 -6.006 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.968 -4.834 6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.092 -3.932 8.879 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.337 -2.624 8.570 1.00 0.00 H new ATOM 306 N LYS A 22 -7.599 -9.218 4.451 1.00 0.00 N ATOM 307 CA LYS A 22 -8.500 -10.326 4.155 1.00 0.00 C ATOM 308 C LYS A 22 -8.313 -10.813 2.721 1.00 0.00 C ATOM 309 O LYS A 22 -8.423 -12.006 2.441 1.00 0.00 O ATOM 310 CB LYS A 22 -9.954 -9.903 4.380 1.00 0.00 C ATOM 311 CG LYS A 22 -10.768 -10.918 5.167 1.00 0.00 C ATOM 312 CD LYS A 22 -11.776 -10.238 6.078 1.00 0.00 C ATOM 313 CE LYS A 22 -12.384 -11.219 7.068 1.00 0.00 C ATOM 314 NZ LYS A 22 -11.456 -11.523 8.192 1.00 0.00 N ATOM 0 H LYS A 22 -8.055 -8.307 4.506 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.260 -11.147 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.969 -8.950 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.430 -9.739 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.289 -11.581 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.099 -11.539 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.289 -9.427 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.567 -9.789 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.311 -10.806 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.642 -12.143 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.921 -12.169 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.595 -11.972 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.203 -10.641 8.681 1.00 0.00 H new ATOM 328 N LEU A 23 -8.031 -9.881 1.817 1.00 0.00 N ATOM 329 CA LEU A 23 -7.829 -10.216 0.412 1.00 0.00 C ATOM 330 C LEU A 23 -6.528 -10.988 0.218 1.00 0.00 C ATOM 331 O LEU A 23 -6.518 -12.070 -0.369 1.00 0.00 O ATOM 332 CB LEU A 23 -7.811 -8.945 -0.439 1.00 0.00 C ATOM 333 CG LEU A 23 -9.164 -8.243 -0.584 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.983 -6.734 -0.610 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.877 -8.719 -1.841 1.00 0.00 C ATOM 0 H LEU A 23 -7.937 -8.888 2.032 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.657 -10.848 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.100 -8.244 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.441 -9.197 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.780 -8.498 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.955 -6.253 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.514 -6.408 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.350 -6.458 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.837 -8.211 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.265 -8.493 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.041 -9.795 -1.781 1.00 0.00 H new ATOM 347 N LEU A 24 -5.432 -10.424 0.714 1.00 0.00 N ATOM 348 CA LEU A 24 -4.124 -11.058 0.594 1.00 0.00 C ATOM 349 C LEU A 24 -4.090 -12.392 1.336 1.00 0.00 C ATOM 350 O LEU A 24 -3.291 -13.272 1.013 1.00 0.00 O ATOM 351 CB LEU A 24 -3.035 -10.132 1.141 1.00 0.00 C ATOM 352 CG LEU A 24 -3.036 -8.718 0.557 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.289 -7.762 1.474 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.417 -8.717 -0.833 1.00 0.00 C ATOM 0 H LEU A 24 -5.423 -9.529 1.203 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.938 -11.248 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.148 -10.062 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.063 -10.587 0.951 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.069 -8.379 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.300 -6.761 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.773 -7.742 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.258 -8.097 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.425 -7.704 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.389 -9.075 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.992 -9.371 -1.488 1.00 0.00 H new ATOM 366 N GLU A 25 -4.962 -12.538 2.329 1.00 0.00 N ATOM 367 CA GLU A 25 -5.030 -13.766 3.116 1.00 0.00 C ATOM 368 C GLU A 25 -5.229 -14.985 2.218 1.00 0.00 C ATOM 369 O GLU A 25 -4.827 -16.095 2.566 1.00 0.00 O ATOM 370 CB GLU A 25 -6.166 -13.676 4.139 1.00 0.00 C ATOM 371 CG GLU A 25 -5.685 -13.674 5.580 1.00 0.00 C ATOM 372 CD GLU A 25 -5.212 -15.039 6.039 1.00 0.00 C ATOM 373 OE1 GLU A 25 -4.765 -15.832 5.183 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.287 -15.317 7.254 1.00 0.00 O ATOM 0 H GLU A 25 -5.632 -11.821 2.608 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.083 -13.882 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.739 -12.768 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.844 -14.516 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.871 -12.957 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.494 -13.337 6.229 1.00 0.00 H new ATOM 381 N ILE A 26 -5.851 -14.772 1.063 1.00 0.00 N ATOM 382 CA ILE A 26 -6.101 -15.855 0.119 1.00 0.00 C ATOM 383 C ILE A 26 -4.792 -16.383 -0.470 1.00 0.00 C ATOM 384 O ILE A 26 -4.078 -15.654 -1.159 1.00 0.00 O ATOM 385 CB ILE A 26 -7.021 -15.398 -1.030 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.291 -14.753 -0.473 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.371 -16.574 -1.931 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.954 -13.793 -1.435 1.00 0.00 C ATOM 0 H ILE A 26 -6.191 -13.860 0.758 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.595 -16.652 0.674 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.489 -14.655 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.001 -15.537 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.045 -14.221 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.021 -16.234 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.458 -16.993 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.885 -17.338 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.848 -13.374 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.261 -12.988 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.231 -14.324 -2.346 1.00 0.00 H new ATOM 400 N PRO A 27 -4.457 -17.661 -0.208 1.00 0.00 N ATOM 401 CA PRO A 27 -3.227 -18.272 -0.722 1.00 0.00 C ATOM 402 C PRO A 27 -3.306 -18.562 -2.217 1.00 0.00 C ATOM 403 O PRO A 27 -3.227 -19.715 -2.643 1.00 0.00 O ATOM 404 CB PRO A 27 -3.124 -19.574 0.074 1.00 0.00 C ATOM 405 CG PRO A 27 -4.534 -19.919 0.408 1.00 0.00 C ATOM 406 CD PRO A 27 -5.246 -18.608 0.604 1.00 0.00 C ATOM 0 HA PRO A 27 -2.364 -17.617 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.651 -20.362 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.524 -19.443 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.995 -20.497 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.583 -20.529 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.281 -18.660 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.267 -18.316 1.654 1.00 0.00 H new ATOM 414 N ASP A 28 -3.462 -17.507 -3.011 1.00 0.00 N ATOM 415 CA ASP A 28 -3.552 -17.649 -4.459 1.00 0.00 C ATOM 416 C ASP A 28 -2.274 -17.153 -5.134 1.00 0.00 C ATOM 417 O ASP A 28 -1.619 -16.235 -4.642 1.00 0.00 O ATOM 418 CB ASP A 28 -4.759 -16.874 -4.992 1.00 0.00 C ATOM 419 CG ASP A 28 -5.972 -17.761 -5.195 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.418 -18.390 -4.212 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.476 -17.827 -6.336 1.00 0.00 O ATOM 0 H ASP A 28 -3.529 -16.546 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.677 -18.707 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.010 -16.074 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.495 -16.402 -5.938 1.00 0.00 H new ATOM 426 N PRO A 29 -1.902 -17.756 -6.277 1.00 0.00 N ATOM 427 CA PRO A 29 -0.698 -17.369 -7.017 1.00 0.00 C ATOM 428 C PRO A 29 -0.644 -15.871 -7.293 1.00 0.00 C ATOM 429 O PRO A 29 0.358 -15.213 -7.010 1.00 0.00 O ATOM 430 CB PRO A 29 -0.819 -18.150 -8.328 1.00 0.00 C ATOM 431 CG PRO A 29 -1.662 -19.330 -7.988 1.00 0.00 C ATOM 432 CD PRO A 29 -2.628 -18.860 -6.935 1.00 0.00 C ATOM 0 HA PRO A 29 0.211 -17.588 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.281 -17.545 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.159 -18.456 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.191 -19.697 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.050 -20.153 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.566 -18.520 -7.373 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.874 -19.655 -6.231 1.00 0.00 H new ATOM 440 N ASP A 30 -1.728 -15.339 -7.848 1.00 0.00 N ATOM 441 CA ASP A 30 -1.805 -13.917 -8.164 1.00 0.00 C ATOM 442 C ASP A 30 -2.749 -13.197 -7.205 1.00 0.00 C ATOM 443 O ASP A 30 -3.499 -12.308 -7.608 1.00 0.00 O ATOM 444 CB ASP A 30 -2.275 -13.721 -9.607 1.00 0.00 C ATOM 445 CG ASP A 30 -1.122 -13.680 -10.590 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.299 -12.744 -10.501 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.041 -14.584 -11.448 1.00 0.00 O ATOM 0 H ASP A 30 -2.565 -15.871 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.809 -13.489 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.952 -14.531 -9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.843 -12.793 -9.678 1.00 0.00 H new ATOM 452 N LYS A 31 -2.706 -13.587 -5.935 1.00 0.00 N ATOM 453 CA LYS A 31 -3.557 -12.977 -4.920 1.00 0.00 C ATOM 454 C LYS A 31 -3.065 -13.323 -3.519 1.00 0.00 C ATOM 455 O LYS A 31 -3.861 -13.509 -2.598 1.00 0.00 O ATOM 456 CB LYS A 31 -5.006 -13.440 -5.095 1.00 0.00 C ATOM 457 CG LYS A 31 -5.817 -12.560 -6.031 1.00 0.00 C ATOM 458 CD LYS A 31 -7.309 -12.701 -5.775 1.00 0.00 C ATOM 459 CE LYS A 31 -8.128 -12.076 -6.892 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.395 -11.480 -6.385 1.00 0.00 N ATOM 0 H LYS A 31 -2.092 -14.322 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.511 -11.895 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.009 -14.461 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.492 -13.463 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.521 -11.519 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.597 -12.827 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.565 -13.756 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.563 -12.226 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.537 -11.306 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.358 -12.833 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.925 -11.064 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.971 -12.220 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.176 -10.739 -5.689 1.00 0.00 H new ATOM 474 N ASN A 32 -1.747 -13.407 -3.363 1.00 0.00 N ATOM 475 CA ASN A 32 -1.148 -13.729 -2.072 1.00 0.00 C ATOM 476 C ASN A 32 -0.345 -12.548 -1.536 1.00 0.00 C ATOM 477 O ASN A 32 0.200 -11.755 -2.305 1.00 0.00 O ATOM 478 CB ASN A 32 -0.248 -14.959 -2.198 1.00 0.00 C ATOM 479 CG ASN A 32 0.338 -15.386 -0.866 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.555 -15.472 -0.709 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.530 -15.658 0.102 1.00 0.00 N ATOM 0 H ASN A 32 -1.074 -13.257 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.952 -13.947 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.822 -15.784 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.561 -14.744 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.195 -15.952 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.531 -15.573 -0.072 1.00 0.00 H new ATOM 488 N TRP A 33 -0.276 -12.436 -0.214 1.00 0.00 N ATOM 489 CA TRP A 33 0.460 -11.351 0.424 1.00 0.00 C ATOM 490 C TRP A 33 1.933 -11.387 0.030 1.00 0.00 C ATOM 491 O TRP A 33 2.558 -10.345 -0.168 1.00 0.00 O ATOM 492 CB TRP A 33 0.324 -11.439 1.945 1.00 0.00 C ATOM 493 CG TRP A 33 0.736 -12.767 2.504 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.076 -13.832 2.769 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.060 -13.170 2.869 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.663 -14.874 3.275 1.00 0.00 N ATOM 497 CE2 TRP A 33 1.977 -14.492 3.346 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.309 -12.543 2.837 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.094 -15.196 3.788 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.417 -13.243 3.277 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.304 -14.557 3.746 1.00 0.00 C ATOM 0 H TRP A 33 -0.721 -13.083 0.437 1.00 0.00 H new ATOM 0 HA TRP A 33 0.035 -10.407 0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.930 -10.657 2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.712 -11.242 2.222 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.143 -13.852 2.605 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.294 -15.783 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.407 -11.530 2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.009 -16.210 4.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.387 -12.768 3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.189 -15.077 4.081 1.00 0.00 H new ATOM 512 N ALA A 34 2.481 -12.592 -0.081 1.00 0.00 N ATOM 513 CA ALA A 34 3.881 -12.762 -0.452 1.00 0.00 C ATOM 514 C ALA A 34 4.162 -12.162 -1.825 1.00 0.00 C ATOM 515 O ALA A 34 5.199 -11.535 -2.039 1.00 0.00 O ATOM 516 CB ALA A 34 4.256 -14.236 -0.432 1.00 0.00 C ATOM 0 H ALA A 34 1.978 -13.464 0.080 1.00 0.00 H new ATOM 0 HA ALA A 34 4.492 -12.232 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.304 -14.349 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.102 -14.637 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.631 -14.780 -1.141 1.00 0.00 H new ATOM 522 N THR A 35 3.231 -12.359 -2.753 1.00 0.00 N ATOM 523 CA THR A 35 3.379 -11.838 -4.106 1.00 0.00 C ATOM 524 C THR A 35 3.381 -10.313 -4.107 1.00 0.00 C ATOM 525 O THR A 35 4.168 -9.684 -4.814 1.00 0.00 O ATOM 526 CB THR A 35 2.252 -12.357 -5.001 1.00 0.00 C ATOM 527 OG1 THR A 35 2.036 -13.740 -4.784 1.00 0.00 O ATOM 528 CG2 THR A 35 2.521 -12.160 -6.478 1.00 0.00 C ATOM 0 H THR A 35 2.366 -12.876 -2.592 1.00 0.00 H new ATOM 0 HA THR A 35 4.335 -12.185 -4.498 1.00 0.00 H new ATOM 0 HB THR A 35 1.374 -11.772 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.521 -14.112 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.683 -12.550 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.643 -11.097 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.431 -12.691 -6.756 1.00 0.00 H new ATOM 536 N LEU A 36 2.495 -9.724 -3.310 1.00 0.00 N ATOM 537 CA LEU A 36 2.396 -8.272 -3.219 1.00 0.00 C ATOM 538 C LEU A 36 3.679 -7.672 -2.651 1.00 0.00 C ATOM 539 O LEU A 36 4.050 -6.548 -2.985 1.00 0.00 O ATOM 540 CB LEU A 36 1.203 -7.875 -2.347 1.00 0.00 C ATOM 541 CG LEU A 36 1.009 -6.370 -2.160 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.708 -5.701 -3.492 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.103 -6.097 -1.159 1.00 0.00 C ATOM 0 H LEU A 36 1.836 -10.230 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 36 2.248 -7.880 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.297 -8.291 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.321 -8.335 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 36 1.935 -5.949 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.573 -4.630 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.538 -5.868 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.203 -6.125 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.228 -5.021 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.034 -6.531 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.155 -6.543 -0.198 1.00 0.00 H new ATOM 555 N ALA A 37 4.351 -8.431 -1.791 1.00 0.00 N ATOM 556 CA ALA A 37 5.591 -7.974 -1.178 1.00 0.00 C ATOM 557 C ALA A 37 6.650 -7.676 -2.235 1.00 0.00 C ATOM 558 O ALA A 37 7.325 -6.650 -2.179 1.00 0.00 O ATOM 559 CB ALA A 37 6.105 -9.011 -0.191 1.00 0.00 C ATOM 0 H ALA A 37 4.057 -9.365 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 37 5.382 -7.049 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.032 -8.656 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.361 -9.171 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.291 -9.949 -0.713 1.00 0.00 H new ATOM 565 N GLN A 38 6.788 -8.582 -3.197 1.00 0.00 N ATOM 566 CA GLN A 38 7.765 -8.415 -4.267 1.00 0.00 C ATOM 567 C GLN A 38 7.402 -7.230 -5.156 1.00 0.00 C ATOM 568 O GLN A 38 8.278 -6.557 -5.700 1.00 0.00 O ATOM 569 CB GLN A 38 7.854 -9.691 -5.107 1.00 0.00 C ATOM 570 CG GLN A 38 8.332 -10.902 -4.324 1.00 0.00 C ATOM 571 CD GLN A 38 7.612 -12.175 -4.723 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.470 -12.139 -5.181 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.279 -13.310 -4.549 1.00 0.00 N ATOM 0 H GLN A 38 6.237 -9.438 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 38 8.736 -8.219 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.873 -9.907 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.531 -9.519 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.403 -11.031 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.183 -10.723 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.224 -13.293 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.846 -14.199 -4.798 1.00 0.00 H new ATOM 582 N LYS A 39 6.105 -6.979 -5.299 1.00 0.00 N ATOM 583 CA LYS A 39 5.625 -5.874 -6.121 1.00 0.00 C ATOM 584 C LYS A 39 5.841 -4.540 -5.415 1.00 0.00 C ATOM 585 O LYS A 39 6.192 -3.542 -6.045 1.00 0.00 O ATOM 586 CB LYS A 39 4.142 -6.059 -6.449 1.00 0.00 C ATOM 587 CG LYS A 39 3.895 -6.717 -7.796 1.00 0.00 C ATOM 588 CD LYS A 39 3.905 -8.233 -7.686 1.00 0.00 C ATOM 589 CE LYS A 39 4.120 -8.887 -9.042 1.00 0.00 C ATOM 590 NZ LYS A 39 3.296 -10.119 -9.200 1.00 0.00 N ATOM 0 H LYS A 39 5.367 -7.526 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 39 6.195 -5.870 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.678 -6.662 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.651 -5.086 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.935 -6.386 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.660 -6.398 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.694 -8.544 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.961 -8.575 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.869 -8.178 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.174 -9.137 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.957 -10.187 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.873 -10.954 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.482 -10.077 -8.555 1.00 0.00 H new ATOM 604 N LEU A 40 5.630 -4.530 -4.103 1.00 0.00 N ATOM 605 CA LEU A 40 5.802 -3.318 -3.310 1.00 0.00 C ATOM 606 C LEU A 40 7.279 -3.038 -3.058 1.00 0.00 C ATOM 607 O LEU A 40 7.698 -1.883 -2.977 1.00 0.00 O ATOM 608 CB LEU A 40 5.059 -3.446 -1.978 1.00 0.00 C ATOM 609 CG LEU A 40 3.535 -3.494 -2.088 1.00 0.00 C ATOM 610 CD1 LEU A 40 2.911 -3.814 -0.739 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.999 -2.176 -2.626 1.00 0.00 C ATOM 0 H LEU A 40 5.340 -5.347 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 40 5.384 -2.483 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.400 -4.351 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.336 -2.604 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 40 3.265 -4.286 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.826 -3.844 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.270 -4.783 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.189 -3.045 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.913 -2.227 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.280 -1.367 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.420 -1.988 -3.614 1.00 0.00 H new ATOM 623 N GLY A 41 8.065 -4.103 -2.936 1.00 0.00 N ATOM 624 CA GLY A 41 9.489 -3.951 -2.696 1.00 0.00 C ATOM 625 C GLY A 41 9.900 -4.428 -1.317 1.00 0.00 C ATOM 626 O GLY A 41 10.889 -3.954 -0.758 1.00 0.00 O ATOM 0 H GLY A 41 7.742 -5.068 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.043 -4.510 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.764 -2.902 -2.811 1.00 0.00 H new ATOM 630 N LEU A 42 9.139 -5.369 -0.766 1.00 0.00 N ATOM 631 CA LEU A 42 9.431 -5.911 0.557 1.00 0.00 C ATOM 632 C LEU A 42 9.840 -7.377 0.466 1.00 0.00 C ATOM 633 O LEU A 42 9.600 -8.158 1.387 1.00 0.00 O ATOM 634 CB LEU A 42 8.212 -5.766 1.470 1.00 0.00 C ATOM 635 CG LEU A 42 7.887 -4.332 1.892 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.502 -4.260 2.516 1.00 0.00 C ATOM 637 CD2 LEU A 42 8.938 -3.812 2.862 1.00 0.00 C ATOM 0 H LEU A 42 8.316 -5.772 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 42 10.262 -5.346 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.344 -6.184 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.375 -6.364 2.366 1.00 0.00 H new ATOM 0 HG LEU A 42 7.896 -3.701 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.288 -3.232 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.759 -4.592 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.465 -4.904 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.692 -2.791 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.960 -4.446 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.916 -3.827 2.381 1.00 0.00 H new ATOM 649 N GLY A 43 10.460 -7.746 -0.651 1.00 0.00 N ATOM 650 CA GLY A 43 10.893 -9.117 -0.840 1.00 0.00 C ATOM 651 C GLY A 43 12.019 -9.505 0.096 1.00 0.00 C ATOM 652 O GLY A 43 12.161 -10.673 0.458 1.00 0.00 O ATOM 0 H GLY A 43 10.670 -7.119 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.047 -9.786 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.219 -9.253 -1.871 1.00 0.00 H new ATOM 656 N ILE A 44 12.824 -8.523 0.491 1.00 0.00 N ATOM 657 CA ILE A 44 13.944 -8.767 1.391 1.00 0.00 C ATOM 658 C ILE A 44 13.455 -9.106 2.797 1.00 0.00 C ATOM 659 O ILE A 44 14.115 -9.838 3.534 1.00 0.00 O ATOM 660 CB ILE A 44 14.887 -7.550 1.458 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.110 -7.868 2.323 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.152 -6.330 1.997 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.274 -6.928 2.095 1.00 0.00 C ATOM 0 H ILE A 44 12.721 -7.551 0.201 1.00 0.00 H new ATOM 0 HA ILE A 44 14.496 -9.617 0.990 1.00 0.00 H new ATOM 0 HB ILE A 44 15.228 -7.324 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.822 -7.828 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.433 -8.889 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.835 -5.482 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.314 -6.091 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.780 -6.543 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.104 -7.213 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.589 -6.985 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.968 -5.908 2.326 1.00 0.00 H new ATOM 675 N LEU A 45 12.295 -8.567 3.162 1.00 0.00 N ATOM 676 CA LEU A 45 11.719 -8.814 4.479 1.00 0.00 C ATOM 677 C LEU A 45 10.470 -9.683 4.374 1.00 0.00 C ATOM 678 O LEU A 45 9.571 -9.596 5.210 1.00 0.00 O ATOM 679 CB LEU A 45 11.378 -7.492 5.167 1.00 0.00 C ATOM 680 CG LEU A 45 12.513 -6.465 5.197 1.00 0.00 C ATOM 681 CD1 LEU A 45 11.954 -5.052 5.157 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.376 -6.665 6.433 1.00 0.00 C ATOM 0 H LEU A 45 11.737 -7.957 2.565 1.00 0.00 H new ATOM 0 HA LEU A 45 12.460 -9.346 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.520 -7.048 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.071 -7.702 6.192 1.00 0.00 H new ATOM 0 HG LEU A 45 13.136 -6.611 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.775 -4.335 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.377 -4.915 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.309 -4.891 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.178 -5.927 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.764 -6.544 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.805 -7.667 6.419 1.00 0.00 H new ATOM 694 N ASN A 46 10.420 -10.521 3.344 1.00 0.00 N ATOM 695 CA ASN A 46 9.280 -11.405 3.131 1.00 0.00 C ATOM 696 C ASN A 46 9.326 -12.592 4.089 1.00 0.00 C ATOM 697 O ASN A 46 8.288 -13.110 4.502 1.00 0.00 O ATOM 698 CB ASN A 46 9.256 -11.901 1.685 1.00 0.00 C ATOM 699 CG ASN A 46 7.850 -11.969 1.121 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.868 -11.841 1.852 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.747 -12.172 -0.188 1.00 0.00 N ATOM 0 H ASN A 46 11.156 -10.607 2.643 1.00 0.00 H new ATOM 0 HA ASN A 46 8.370 -10.838 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.861 -11.238 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.713 -12.889 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.827 -12.227 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.588 -12.273 -0.756 1.00 0.00 H new ATOM 708 N ASN A 47 10.536 -13.015 4.439 1.00 0.00 N ATOM 709 CA ASN A 47 10.718 -14.139 5.348 1.00 0.00 C ATOM 710 C ASN A 47 10.289 -13.770 6.765 1.00 0.00 C ATOM 711 O ASN A 47 9.828 -14.620 7.527 1.00 0.00 O ATOM 712 CB ASN A 47 12.180 -14.591 5.347 1.00 0.00 C ATOM 713 CG ASN A 47 12.709 -14.832 3.948 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.637 -15.945 3.427 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.247 -13.786 3.330 1.00 0.00 N ATOM 0 H ASN A 47 11.405 -12.596 4.107 1.00 0.00 H new ATOM 0 HA ASN A 47 10.090 -14.959 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.792 -13.834 5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.275 -15.506 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.621 -13.888 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.286 -12.881 3.799 1.00 0.00 H new ATOM 722 N ALA A 48 10.444 -12.495 7.112 1.00 0.00 N ATOM 723 CA ALA A 48 10.073 -12.014 8.437 1.00 0.00 C ATOM 724 C ALA A 48 8.562 -12.044 8.629 1.00 0.00 C ATOM 725 O ALA A 48 8.071 -12.333 9.722 1.00 0.00 O ATOM 726 CB ALA A 48 10.607 -10.606 8.654 1.00 0.00 C ATOM 0 H ALA A 48 10.824 -11.778 6.494 1.00 0.00 H new ATOM 0 HA ALA A 48 10.519 -12.679 9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.323 -10.258 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.694 -10.612 8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.187 -9.938 7.902 1.00 0.00 H new ATOM 732 N PHE A 49 7.826 -11.743 7.564 1.00 0.00 N ATOM 733 CA PHE A 49 6.369 -11.736 7.617 1.00 0.00 C ATOM 734 C PHE A 49 5.823 -13.150 7.788 1.00 0.00 C ATOM 735 O PHE A 49 4.845 -13.366 8.504 1.00 0.00 O ATOM 736 CB PHE A 49 5.794 -11.104 6.349 1.00 0.00 C ATOM 737 CG PHE A 49 6.414 -9.780 6.001 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.649 -8.831 6.984 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.761 -9.484 4.694 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.218 -7.612 6.668 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.330 -8.267 4.371 1.00 0.00 C ATOM 742 CZ PHE A 49 7.560 -7.330 5.360 1.00 0.00 C ATOM 0 H PHE A 49 8.215 -11.501 6.653 1.00 0.00 H new ATOM 0 HA PHE A 49 6.065 -11.143 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.934 -11.792 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.720 -10.970 6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.384 -9.047 8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.585 -10.213 3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.395 -6.881 7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.595 -8.048 3.347 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.006 -6.379 5.111 1.00 0.00 H new ATOM 752 N ARG A 50 6.461 -14.110 7.127 1.00 0.00 N ATOM 753 CA ARG A 50 6.039 -15.504 7.204 1.00 0.00 C ATOM 754 C ARG A 50 6.081 -16.007 8.645 1.00 0.00 C ATOM 755 O ARG A 50 5.295 -16.869 9.034 1.00 0.00 O ATOM 756 CB ARG A 50 6.929 -16.379 6.319 1.00 0.00 C ATOM 757 CG ARG A 50 6.173 -17.484 5.600 1.00 0.00 C ATOM 758 CD ARG A 50 6.755 -18.855 5.907 1.00 0.00 C ATOM 759 NE ARG A 50 5.724 -19.889 5.963 1.00 0.00 N ATOM 760 CZ ARG A 50 5.178 -20.450 4.887 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.561 -20.082 3.671 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.247 -21.383 5.027 1.00 0.00 N ATOM 0 H ARG A 50 7.273 -13.948 6.531 1.00 0.00 H new ATOM 0 HA ARG A 50 5.011 -15.566 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.424 -15.749 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.711 -16.825 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.124 -17.459 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.205 -17.307 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.489 -19.116 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.284 -18.819 6.859 1.00 0.00 H new ATOM 0 HE ARG A 50 5.404 -20.199 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.278 -19.365 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.139 -20.516 2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.949 -21.671 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.828 -21.813 4.202 1.00 0.00 H new ATOM 776 N LEU A 51 7.005 -15.462 9.429 1.00 0.00 N ATOM 777 CA LEU A 51 7.149 -15.856 10.826 1.00 0.00 C ATOM 778 C LEU A 51 6.042 -15.248 11.681 1.00 0.00 C ATOM 779 O LEU A 51 5.552 -15.876 12.619 1.00 0.00 O ATOM 780 CB LEU A 51 8.517 -15.427 11.361 1.00 0.00 C ATOM 781 CG LEU A 51 9.716 -16.067 10.659 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.935 -15.162 10.755 1.00 0.00 C ATOM 783 CD2 LEU A 51 10.014 -17.433 11.256 1.00 0.00 C ATOM 0 H LEU A 51 7.665 -14.747 9.122 1.00 0.00 H new ATOM 0 HA LEU A 51 7.070 -16.942 10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.601 -14.344 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.566 -15.667 12.423 1.00 0.00 H new ATOM 0 HG LEU A 51 9.470 -16.199 9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.779 -15.633 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.716 -14.205 10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.185 -14.998 11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.870 -17.874 10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.241 -17.325 12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.145 -18.080 11.135 1.00 0.00 H new ATOM 795 N SER A 52 5.651 -14.020 11.349 1.00 0.00 N ATOM 796 CA SER A 52 4.601 -13.327 12.085 1.00 0.00 C ATOM 797 C SER A 52 3.243 -13.981 11.841 1.00 0.00 C ATOM 798 O SER A 52 3.030 -14.626 10.814 1.00 0.00 O ATOM 799 CB SER A 52 4.552 -11.853 11.679 1.00 0.00 C ATOM 800 OG SER A 52 5.793 -11.215 11.922 1.00 0.00 O ATOM 0 H SER A 52 6.046 -13.486 10.575 1.00 0.00 H new ATOM 0 HA SER A 52 4.831 -13.395 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.299 -11.772 10.622 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.764 -11.346 12.235 1.00 0.00 H new ATOM 0 HG SER A 52 6.471 -11.576 11.314 1.00 0.00 H new ATOM 806 N PRO A 53 2.300 -13.821 12.787 1.00 0.00 N ATOM 807 CA PRO A 53 0.958 -14.398 12.670 1.00 0.00 C ATOM 808 C PRO A 53 0.285 -14.035 11.350 1.00 0.00 C ATOM 809 O PRO A 53 -0.133 -14.912 10.593 1.00 0.00 O ATOM 810 CB PRO A 53 0.199 -13.778 13.845 1.00 0.00 C ATOM 811 CG PRO A 53 1.253 -13.439 14.840 1.00 0.00 C ATOM 812 CD PRO A 53 2.471 -13.065 14.042 1.00 0.00 C ATOM 0 HA PRO A 53 0.981 -15.488 12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.353 -12.891 13.536 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.527 -14.477 14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.936 -12.614 15.478 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.460 -14.286 15.494 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.519 -11.991 13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.390 -13.343 14.557 1.00 0.00 H new ATOM 820 N ALA A 54 0.184 -12.738 11.080 1.00 0.00 N ATOM 821 CA ALA A 54 -0.438 -12.258 9.851 1.00 0.00 C ATOM 822 C ALA A 54 0.584 -11.568 8.952 1.00 0.00 C ATOM 823 O ALA A 54 0.776 -10.355 9.035 1.00 0.00 O ATOM 824 CB ALA A 54 -1.584 -11.311 10.176 1.00 0.00 C ATOM 0 H ALA A 54 0.525 -12.000 11.696 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.834 -13.119 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.040 -10.960 9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.331 -11.835 10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.203 -10.459 10.739 1.00 0.00 H new ATOM 830 N PRO A 55 1.257 -12.335 8.077 1.00 0.00 N ATOM 831 CA PRO A 55 2.262 -11.790 7.159 1.00 0.00 C ATOM 832 C PRO A 55 1.739 -10.599 6.364 1.00 0.00 C ATOM 833 O PRO A 55 2.447 -9.611 6.167 1.00 0.00 O ATOM 834 CB PRO A 55 2.566 -12.964 6.226 1.00 0.00 C ATOM 835 CG PRO A 55 2.242 -14.176 7.027 1.00 0.00 C ATOM 836 CD PRO A 55 1.089 -13.791 7.912 1.00 0.00 C ATOM 0 HA PRO A 55 3.136 -11.413 7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.963 -12.916 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.611 -12.962 5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.975 -15.012 6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.100 -14.493 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.131 -14.036 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.126 -14.311 8.869 1.00 0.00 H new ATOM 844 N SER A 56 0.494 -10.699 5.909 1.00 0.00 N ATOM 845 CA SER A 56 -0.125 -9.630 5.134 1.00 0.00 C ATOM 846 C SER A 56 -0.231 -8.351 5.960 1.00 0.00 C ATOM 847 O SER A 56 -0.075 -7.248 5.437 1.00 0.00 O ATOM 848 CB SER A 56 -1.512 -10.057 4.653 1.00 0.00 C ATOM 849 OG SER A 56 -1.629 -11.469 4.616 1.00 0.00 O ATOM 0 H SER A 56 -0.106 -11.509 6.064 1.00 0.00 H new ATOM 0 HA SER A 56 0.506 -9.431 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.273 -9.644 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.697 -9.648 3.660 1.00 0.00 H new ATOM 0 HG SER A 56 -2.526 -11.715 4.306 1.00 0.00 H new ATOM 855 N LYS A 57 -0.498 -8.508 7.253 1.00 0.00 N ATOM 856 CA LYS A 57 -0.624 -7.364 8.150 1.00 0.00 C ATOM 857 C LYS A 57 0.729 -6.697 8.375 1.00 0.00 C ATOM 858 O LYS A 57 0.861 -5.480 8.242 1.00 0.00 O ATOM 859 CB LYS A 57 -1.219 -7.804 9.489 1.00 0.00 C ATOM 860 CG LYS A 57 -1.905 -6.679 10.249 1.00 0.00 C ATOM 861 CD LYS A 57 -3.349 -7.025 10.577 1.00 0.00 C ATOM 862 CE LYS A 57 -3.441 -8.244 11.481 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.443 -9.228 10.987 1.00 0.00 N ATOM 0 H LYS A 57 -0.631 -9.414 7.702 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.292 -6.639 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.939 -8.603 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.426 -8.220 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.360 -6.477 11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.875 -5.766 9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.826 -6.174 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.897 -7.214 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.464 -8.722 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.709 -7.929 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.475 -10.044 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.381 -8.780 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.174 -9.549 10.035 1.00 0.00 H new ATOM 877 N THR A 58 1.730 -7.501 8.716 1.00 0.00 N ATOM 878 CA THR A 58 3.073 -6.988 8.959 1.00 0.00 C ATOM 879 C THR A 58 3.625 -6.294 7.718 1.00 0.00 C ATOM 880 O THR A 58 4.435 -5.373 7.819 1.00 0.00 O ATOM 881 CB THR A 58 4.008 -8.124 9.380 1.00 0.00 C ATOM 882 OG1 THR A 58 3.428 -8.890 10.422 1.00 0.00 O ATOM 883 CG2 THR A 58 5.358 -7.641 9.862 1.00 0.00 C ATOM 0 H THR A 58 1.637 -8.510 8.830 1.00 0.00 H new ATOM 0 HA THR A 58 3.014 -6.257 9.765 1.00 0.00 H new ATOM 0 HB THR A 58 4.155 -8.725 8.482 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.136 -9.262 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.971 -8.497 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.853 -7.088 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.224 -6.990 10.726 1.00 0.00 H new ATOM 891 N LEU A 59 3.181 -6.742 6.548 1.00 0.00 N ATOM 892 CA LEU A 59 3.631 -6.165 5.287 1.00 0.00 C ATOM 893 C LEU A 59 3.323 -4.671 5.230 1.00 0.00 C ATOM 894 O LEU A 59 4.173 -3.866 4.849 1.00 0.00 O ATOM 895 CB LEU A 59 2.967 -6.878 4.108 1.00 0.00 C ATOM 896 CG LEU A 59 3.628 -6.640 2.750 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.716 -7.673 2.496 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.588 -6.674 1.640 1.00 0.00 C ATOM 0 H LEU A 59 2.510 -7.503 6.447 1.00 0.00 H new ATOM 0 HA LEU A 59 4.711 -6.299 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.960 -7.949 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.927 -6.558 4.049 1.00 0.00 H new ATOM 0 HG LEU A 59 4.090 -5.653 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.175 -7.487 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.475 -7.601 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.279 -8.672 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.075 -6.503 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.098 -7.648 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.845 -5.896 1.814 1.00 0.00 H new ATOM 910 N MET A 60 2.104 -4.308 5.615 1.00 0.00 N ATOM 911 CA MET A 60 1.685 -2.912 5.609 1.00 0.00 C ATOM 912 C MET A 60 2.427 -2.118 6.679 1.00 0.00 C ATOM 913 O MET A 60 2.687 -0.925 6.513 1.00 0.00 O ATOM 914 CB MET A 60 0.175 -2.810 5.839 1.00 0.00 C ATOM 915 CG MET A 60 -0.654 -3.227 4.634 1.00 0.00 C ATOM 916 SD MET A 60 -0.474 -2.094 3.242 1.00 0.00 S ATOM 917 CE MET A 60 -1.206 -3.060 1.924 1.00 0.00 C ATOM 0 H MET A 60 1.389 -4.962 5.935 1.00 0.00 H new ATOM 0 HA MET A 60 1.927 -2.490 4.634 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.097 -3.434 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.075 -1.783 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.358 -4.229 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.704 -3.280 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.832 -2.417 1.306 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.417 -3.496 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.815 -3.857 2.352 1.00 0.00 H new ATOM 927 N ASP A 61 2.766 -2.785 7.777 1.00 0.00 N ATOM 928 CA ASP A 61 3.479 -2.142 8.874 1.00 0.00 C ATOM 929 C ASP A 61 4.921 -1.833 8.481 1.00 0.00 C ATOM 930 O ASP A 61 5.495 -0.837 8.922 1.00 0.00 O ATOM 931 CB ASP A 61 3.453 -3.032 10.119 1.00 0.00 C ATOM 932 CG ASP A 61 3.003 -2.281 11.357 1.00 0.00 C ATOM 933 OD1 ASP A 61 3.599 -1.226 11.661 1.00 0.00 O ATOM 934 OD2 ASP A 61 2.054 -2.747 12.022 1.00 0.00 O ATOM 0 H ASP A 61 2.558 -3.772 7.931 1.00 0.00 H new ATOM 0 HA ASP A 61 2.976 -1.202 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.784 -3.875 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.448 -3.444 10.289 1.00 0.00 H new ATOM 939 N ASN A 62 5.499 -2.694 7.651 1.00 0.00 N ATOM 940 CA ASN A 62 6.874 -2.512 7.198 1.00 0.00 C ATOM 941 C ASN A 62 6.935 -1.556 6.012 1.00 0.00 C ATOM 942 O ASN A 62 7.816 -0.699 5.938 1.00 0.00 O ATOM 943 CB ASN A 62 7.487 -3.860 6.813 1.00 0.00 C ATOM 944 CG ASN A 62 8.124 -4.563 7.996 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.337 -4.761 8.035 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.303 -4.945 8.969 1.00 0.00 N ATOM 0 H ASN A 62 5.038 -3.524 7.278 1.00 0.00 H new ATOM 0 HA ASN A 62 7.447 -2.080 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.714 -4.499 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.237 -3.707 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.673 -5.423 9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.303 -4.760 8.894 1.00 0.00 H new ATOM 953 N TYR A 63 5.993 -1.707 5.086 1.00 0.00 N ATOM 954 CA TYR A 63 5.940 -0.855 3.904 1.00 0.00 C ATOM 955 C TYR A 63 5.770 0.609 4.295 1.00 0.00 C ATOM 956 O TYR A 63 6.246 1.507 3.600 1.00 0.00 O ATOM 957 CB TYR A 63 4.791 -1.288 2.990 1.00 0.00 C ATOM 958 CG TYR A 63 4.858 -0.686 1.605 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.060 -0.617 0.913 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.716 -0.185 0.990 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.124 -0.066 -0.353 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.772 0.367 -0.275 1.00 0.00 C ATOM 963 CZ TYR A 63 4.978 0.424 -0.943 1.00 0.00 C ATOM 964 OH TYR A 63 5.036 0.973 -2.203 1.00 0.00 O ATOM 0 H TYR A 63 5.257 -2.411 5.132 1.00 0.00 H new ATOM 0 HA TYR A 63 6.883 -0.961 3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.795 -2.375 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.845 -1.008 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.960 -1.000 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.770 -0.228 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.067 -0.019 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.876 0.752 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 63 5.754 0.545 -2.714 1.00 0.00 H new ATOM 974 N GLU A 64 5.088 0.843 5.412 1.00 0.00 N ATOM 975 CA GLU A 64 4.854 2.198 5.896 1.00 0.00 C ATOM 976 C GLU A 64 6.134 2.804 6.461 1.00 0.00 C ATOM 977 O GLU A 64 6.381 4.002 6.320 1.00 0.00 O ATOM 978 CB GLU A 64 3.760 2.199 6.965 1.00 0.00 C ATOM 979 CG GLU A 64 3.302 3.591 7.366 1.00 0.00 C ATOM 980 CD GLU A 64 2.215 3.566 8.423 1.00 0.00 C ATOM 981 OE1 GLU A 64 2.236 2.654 9.275 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.342 4.458 8.397 1.00 0.00 O ATOM 0 H GLU A 64 4.688 0.111 5.999 1.00 0.00 H new ATOM 0 HA GLU A 64 4.528 2.806 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.903 1.636 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.127 1.678 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.155 4.156 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.934 4.116 6.485 1.00 0.00 H new ATOM 989 N VAL A 65 6.945 1.969 7.104 1.00 0.00 N ATOM 990 CA VAL A 65 8.199 2.424 7.692 1.00 0.00 C ATOM 991 C VAL A 65 9.121 3.015 6.630 1.00 0.00 C ATOM 992 O VAL A 65 9.795 4.017 6.868 1.00 0.00 O ATOM 993 CB VAL A 65 8.933 1.275 8.412 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.154 1.800 9.152 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.991 0.553 9.366 1.00 0.00 C ATOM 0 H VAL A 65 6.756 0.975 7.231 1.00 0.00 H new ATOM 0 HA VAL A 65 7.946 3.195 8.420 1.00 0.00 H new ATOM 0 HB VAL A 65 9.272 0.560 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.658 0.974 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.838 2.265 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.842 2.537 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.527 -0.255 9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.619 1.256 10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.152 0.140 8.806 1.00 0.00 H new ATOM 1005 N SER A 66 9.143 2.389 5.458 1.00 0.00 N ATOM 1006 CA SER A 66 9.981 2.855 4.360 1.00 0.00 C ATOM 1007 C SER A 66 9.368 4.081 3.691 1.00 0.00 C ATOM 1008 O SER A 66 10.084 4.944 3.180 1.00 0.00 O ATOM 1009 CB SER A 66 10.173 1.739 3.329 1.00 0.00 C ATOM 1010 OG SER A 66 11.400 1.061 3.535 1.00 0.00 O ATOM 0 H SER A 66 8.591 1.559 5.245 1.00 0.00 H new ATOM 0 HA SER A 66 10.952 3.134 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.347 1.031 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.151 2.160 2.324 1.00 0.00 H new ATOM 0 HG SER A 66 11.499 0.352 2.865 1.00 0.00 H new ATOM 1016 N GLY A 67 8.042 4.153 3.698 1.00 0.00 N ATOM 1017 CA GLY A 67 7.355 5.278 3.090 1.00 0.00 C ATOM 1018 C GLY A 67 5.894 4.986 2.818 1.00 0.00 C ATOM 1019 O GLY A 67 5.012 5.706 3.288 1.00 0.00 O ATOM 0 H GLY A 67 7.429 3.452 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.433 6.145 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.850 5.540 2.155 1.00 0.00 H new ATOM 1023 N GLY A 68 5.635 3.928 2.057 1.00 0.00 N ATOM 1024 CA GLY A 68 4.269 3.560 1.737 1.00 0.00 C ATOM 1025 C GLY A 68 3.607 4.551 0.800 1.00 0.00 C ATOM 1026 O GLY A 68 3.206 5.638 1.216 1.00 0.00 O ATOM 0 H GLY A 68 6.348 3.318 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.260 2.570 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.689 3.491 2.657 1.00 0.00 H new ATOM 1030 N THR A 69 3.492 4.175 -0.470 1.00 0.00 N ATOM 1031 CA THR A 69 2.874 5.038 -1.470 1.00 0.00 C ATOM 1032 C THR A 69 1.580 4.423 -1.994 1.00 0.00 C ATOM 1033 O THR A 69 1.543 3.249 -2.361 1.00 0.00 O ATOM 1034 CB THR A 69 3.841 5.285 -2.629 1.00 0.00 C ATOM 1035 OG1 THR A 69 5.182 5.096 -2.212 1.00 0.00 O ATOM 1036 CG2 THR A 69 3.733 6.677 -3.212 1.00 0.00 C ATOM 0 H THR A 69 3.819 3.279 -0.831 1.00 0.00 H new ATOM 0 HA THR A 69 2.637 5.990 -0.995 1.00 0.00 H new ATOM 0 HB THR A 69 3.561 4.564 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.785 5.257 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.446 6.785 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.722 6.837 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.953 7.413 -2.439 1.00 0.00 H new ATOM 1044 N VAL A 70 0.521 5.226 -2.028 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.774 4.760 -2.507 1.00 0.00 C ATOM 1046 C VAL A 70 -0.703 4.361 -3.977 1.00 0.00 C ATOM 1047 O VAL A 70 -1.278 3.352 -4.385 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.859 5.840 -2.332 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.230 5.286 -2.689 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.851 6.382 -0.909 1.00 0.00 C ATOM 0 H VAL A 70 0.535 6.201 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.039 3.889 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.636 6.662 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.982 6.064 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.229 4.953 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.463 4.444 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.624 7.143 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.046 5.569 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.877 6.822 -0.693 1.00 0.00 H new ATOM 1060 N ARG A 71 0.007 5.158 -4.768 1.00 0.00 N ATOM 1061 CA ARG A 71 0.154 4.888 -6.193 1.00 0.00 C ATOM 1062 C ARG A 71 0.816 3.533 -6.424 1.00 0.00 C ATOM 1063 O ARG A 71 0.511 2.838 -7.394 1.00 0.00 O ATOM 1064 CB ARG A 71 0.975 5.994 -6.862 1.00 0.00 C ATOM 1065 CG ARG A 71 0.137 6.963 -7.681 1.00 0.00 C ATOM 1066 CD ARG A 71 0.662 7.095 -9.101 1.00 0.00 C ATOM 1067 NE ARG A 71 -0.266 7.827 -9.961 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.055 8.303 -11.163 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.279 8.128 -11.649 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -0.849 8.955 -11.880 1.00 0.00 N ATOM 0 H ARG A 71 0.490 5.997 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.841 4.866 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.513 6.551 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.724 5.538 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.897 6.620 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.137 7.941 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.624 7.608 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.836 6.103 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.215 7.982 -9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.978 7.627 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.519 8.495 -12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.790 9.092 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.604 9.320 -12.800 1.00 0.00 H new ATOM 1084 N GLU A 72 1.723 3.163 -5.526 1.00 0.00 N ATOM 1085 CA GLU A 72 2.428 1.891 -5.631 1.00 0.00 C ATOM 1086 C GLU A 72 1.505 0.728 -5.276 1.00 0.00 C ATOM 1087 O GLU A 72 1.578 -0.342 -5.879 1.00 0.00 O ATOM 1088 CB GLU A 72 3.652 1.885 -4.715 1.00 0.00 C ATOM 1089 CG GLU A 72 4.921 2.378 -5.392 1.00 0.00 C ATOM 1090 CD GLU A 72 5.846 1.246 -5.793 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.540 0.553 -6.784 1.00 0.00 O ATOM 1092 OE2 GLU A 72 6.876 1.052 -5.113 1.00 0.00 O ATOM 0 H GLU A 72 1.987 3.726 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 72 2.756 1.769 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.448 2.510 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.816 0.872 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.655 2.956 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.449 3.052 -4.718 1.00 0.00 H new ATOM 1099 N LEU A 73 0.638 0.947 -4.294 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.299 -0.082 -3.858 1.00 0.00 C ATOM 1101 C LEU A 73 -1.360 -0.338 -4.925 1.00 0.00 C ATOM 1102 O LEU A 73 -1.736 -1.482 -5.177 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.968 0.329 -2.545 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.776 -0.774 -1.859 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.860 -1.688 -1.060 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.845 -0.170 -0.960 1.00 0.00 C ATOM 0 H LEU A 73 0.564 1.828 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 73 0.261 -1.004 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.199 0.677 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.628 1.175 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.269 -1.369 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.452 -2.466 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.131 -2.147 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.339 -1.106 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.410 -0.969 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.372 0.449 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.519 0.443 -1.558 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.837 0.734 -5.548 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.853 0.624 -6.587 1.00 0.00 C ATOM 1120 C VAL A 74 -2.295 -0.057 -7.830 1.00 0.00 C ATOM 1121 O VAL A 74 -2.989 -0.832 -8.490 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.409 2.006 -6.979 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.601 1.857 -7.911 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.786 2.804 -5.738 1.00 0.00 C ATOM 0 H VAL A 74 -1.536 1.689 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.661 0.019 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.630 2.553 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.980 2.844 -8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.293 1.331 -8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.386 1.290 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.177 3.777 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.548 2.264 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.904 2.943 -5.113 1.00 0.00 H new ATOM 1134 N GLU A 75 -1.037 0.234 -8.146 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.385 -0.352 -9.310 1.00 0.00 C ATOM 1136 C GLU A 75 -0.007 -1.807 -9.047 1.00 0.00 C ATOM 1137 O GLU A 75 -0.204 -2.675 -9.899 1.00 0.00 O ATOM 1138 CB GLU A 75 0.860 0.455 -9.683 1.00 0.00 C ATOM 1139 CG GLU A 75 0.700 1.265 -10.961 1.00 0.00 C ATOM 1140 CD GLU A 75 1.674 0.846 -12.046 1.00 0.00 C ATOM 1141 OE1 GLU A 75 1.612 -0.323 -12.479 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.498 1.688 -12.460 1.00 0.00 O ATOM 0 H GLU A 75 -0.449 0.873 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.088 -0.325 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.104 1.130 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.703 -0.226 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.319 1.154 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.845 2.322 -10.737 1.00 0.00 H new ATOM 1149 N ALA A 76 0.536 -2.067 -7.862 1.00 0.00 N ATOM 1150 CA ALA A 76 0.941 -3.415 -7.487 1.00 0.00 C ATOM 1151 C ALA A 76 -0.246 -4.371 -7.511 1.00 0.00 C ATOM 1152 O ALA A 76 -0.132 -5.508 -7.969 1.00 0.00 O ATOM 1153 CB ALA A 76 1.586 -3.408 -6.110 1.00 0.00 C ATOM 0 H ALA A 76 0.705 -1.361 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 76 1.671 -3.765 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.884 -4.422 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.465 -2.763 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.872 -3.034 -5.376 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.387 -3.904 -7.015 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.596 -4.718 -6.980 1.00 0.00 C ATOM 1161 C LEU A 77 -3.055 -5.070 -8.390 1.00 0.00 C ATOM 1162 O LEU A 77 -3.602 -6.147 -8.625 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.712 -3.980 -6.238 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.547 -3.915 -4.718 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.473 -2.866 -4.124 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.813 -5.277 -4.096 1.00 0.00 C ATOM 0 H LEU A 77 -1.500 -2.966 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.366 -5.642 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.774 -2.963 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.661 -4.466 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.519 -3.629 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.341 -2.835 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.236 -1.890 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.507 -3.120 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.691 -5.213 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.831 -5.591 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.108 -6.005 -4.498 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.828 -4.155 -9.328 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.218 -4.370 -10.716 1.00 0.00 C ATOM 1180 C ARG A 78 -2.293 -5.378 -11.391 1.00 0.00 C ATOM 1181 O ARG A 78 -2.731 -6.187 -12.209 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.198 -3.045 -11.484 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.577 -2.439 -11.689 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.645 -1.634 -12.976 1.00 0.00 C ATOM 1185 NE ARG A 78 -6.023 -1.397 -13.402 1.00 0.00 N ATOM 1186 CZ ARG A 78 -6.775 -2.305 -14.017 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.288 -3.511 -14.281 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -8.018 -2.007 -14.371 1.00 0.00 N ATOM 0 H ARG A 78 -2.376 -3.258 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.231 -4.772 -10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.574 -2.332 -10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.733 -3.205 -12.457 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.324 -3.232 -11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.823 -1.797 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.140 -0.678 -12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.108 -2.163 -13.763 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.432 -0.481 -13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.332 -3.745 -14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.869 -4.204 -14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.397 -1.081 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.595 -2.704 -14.843 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.011 -5.323 -11.042 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.025 -6.231 -11.613 1.00 0.00 C ATOM 1204 C GLN A 79 -0.375 -7.682 -11.299 1.00 0.00 C ATOM 1205 O GLN A 79 -0.157 -8.575 -12.118 1.00 0.00 O ATOM 1206 CB GLN A 79 1.370 -5.903 -11.079 1.00 0.00 C ATOM 1207 CG GLN A 79 1.985 -4.663 -11.705 1.00 0.00 C ATOM 1208 CD GLN A 79 3.500 -4.670 -11.646 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.142 -5.659 -12.000 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.080 -3.563 -11.197 1.00 0.00 N ATOM 0 H GLN A 79 -0.632 -4.659 -10.367 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.032 -6.101 -12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.313 -5.765 -9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.027 -6.754 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.666 -4.589 -12.745 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.609 -3.777 -11.193 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.509 -2.767 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.097 -3.509 -11.135 1.00 0.00 H new ATOM 1219 N MET A 80 -0.918 -7.910 -10.108 1.00 0.00 N ATOM 1220 CA MET A 80 -1.298 -9.253 -9.686 1.00 0.00 C ATOM 1221 C MET A 80 -2.679 -9.621 -10.221 1.00 0.00 C ATOM 1222 O MET A 80 -2.921 -10.764 -10.606 1.00 0.00 O ATOM 1223 CB MET A 80 -1.284 -9.353 -8.160 1.00 0.00 C ATOM 1224 CG MET A 80 0.113 -9.342 -7.563 1.00 0.00 C ATOM 1225 SD MET A 80 0.174 -8.535 -5.951 1.00 0.00 S ATOM 1226 CE MET A 80 -0.805 -9.668 -4.968 1.00 0.00 C ATOM 0 H MET A 80 -1.105 -7.182 -9.418 1.00 0.00 H new ATOM 0 HA MET A 80 -0.572 -9.955 -10.095 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.854 -8.522 -7.744 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.791 -10.270 -7.860 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.470 -10.367 -7.465 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.792 -8.832 -8.246 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.346 -9.112 -4.202 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.517 -10.186 -5.611 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.149 -10.397 -4.492 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.579 -8.643 -10.243 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.923 -8.884 -10.734 1.00 0.00 C ATOM 1238 C GLY A 81 -5.980 -8.668 -9.668 1.00 0.00 C ATOM 1239 O GLY A 81 -6.992 -9.369 -9.636 1.00 0.00 O ATOM 0 H GLY A 81 -3.402 -7.689 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.122 -8.223 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.992 -9.906 -11.107 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.746 -7.696 -8.793 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.685 -7.389 -7.721 1.00 0.00 C ATOM 1245 C TYR A 82 -7.642 -6.277 -8.139 1.00 0.00 C ATOM 1246 O TYR A 82 -7.214 -5.182 -8.504 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.933 -6.981 -6.454 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.669 -8.131 -5.509 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.718 -8.882 -4.989 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.374 -8.466 -5.134 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.481 -9.934 -4.125 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.130 -9.516 -4.271 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.187 -10.247 -3.769 1.00 0.00 C ATOM 1254 OH TYR A 82 -4.948 -11.294 -2.909 1.00 0.00 O ATOM 0 H TYR A 82 -4.913 -7.107 -8.805 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.267 -8.287 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.982 -6.528 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.508 -6.217 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.734 -8.639 -5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.544 -7.896 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.306 -10.508 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.117 -9.764 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.706 -11.393 -2.296 1.00 0.00 H new ATOM 1264 N THR A 83 -8.938 -6.565 -8.083 1.00 0.00 N ATOM 1265 CA THR A 83 -9.955 -5.588 -8.457 1.00 0.00 C ATOM 1266 C THR A 83 -10.735 -5.119 -7.234 1.00 0.00 C ATOM 1267 O THR A 83 -11.188 -3.976 -7.175 1.00 0.00 O ATOM 1268 CB THR A 83 -10.912 -6.187 -9.488 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.203 -6.646 -10.626 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.964 -5.209 -9.967 1.00 0.00 C ATOM 0 H THR A 83 -9.309 -7.466 -7.782 1.00 0.00 H new ATOM 0 HA THR A 83 -9.452 -4.727 -8.896 1.00 0.00 H new ATOM 0 HB THR A 83 -11.409 -7.010 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.833 -7.027 -11.272 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.610 -5.698 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.562 -4.874 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.478 -4.350 -10.430 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.888 -6.009 -6.259 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.613 -5.686 -5.036 1.00 0.00 C ATOM 1280 C GLU A 84 -10.722 -4.930 -4.055 1.00 0.00 C ATOM 1281 O GLU A 84 -11.204 -4.125 -3.257 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.144 -6.964 -4.382 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.221 -6.712 -3.340 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.576 -6.425 -3.957 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -15.255 -7.387 -4.370 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.955 -5.237 -4.029 1.00 0.00 O ATOM 0 H GLU A 84 -10.520 -6.960 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.453 -5.044 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.545 -7.619 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.315 -7.494 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.300 -7.582 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.925 -5.870 -2.714 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.420 -5.193 -4.118 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.464 -4.537 -3.235 1.00 0.00 C ATOM 1295 C ALA A 85 -8.247 -3.082 -3.639 1.00 0.00 C ATOM 1296 O ALA A 85 -8.129 -2.202 -2.786 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.142 -5.290 -3.239 1.00 0.00 C ATOM 0 H ALA A 85 -9.004 -5.856 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.875 -4.547 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.436 -4.790 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.304 -6.311 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.737 -5.309 -4.251 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.195 -2.835 -4.944 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.991 -1.487 -5.458 1.00 0.00 C ATOM 1305 C ILE A 86 -9.216 -0.612 -5.211 1.00 0.00 C ATOM 1306 O ILE A 86 -9.093 0.578 -4.921 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.680 -1.499 -6.968 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.561 -2.497 -7.273 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.298 -0.105 -7.442 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.199 -2.570 -8.740 1.00 0.00 C ATOM 0 H ILE A 86 -8.291 -3.551 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.137 -1.073 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.576 -1.811 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.674 -2.222 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.865 -3.487 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.081 -0.130 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.124 0.582 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.415 0.234 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.399 -3.297 -8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.073 -2.875 -9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.864 -1.591 -9.081 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.398 -1.209 -5.329 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.645 -0.483 -5.119 1.00 0.00 C ATOM 1324 C GLU A 87 -11.717 0.079 -3.703 1.00 0.00 C ATOM 1325 O GLU A 87 -12.330 1.122 -3.470 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.843 -1.398 -5.379 1.00 0.00 C ATOM 1327 CG GLU A 87 -12.959 -1.849 -6.827 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.009 -1.072 -7.596 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.146 -0.955 -7.095 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -13.693 -0.581 -8.701 1.00 0.00 O ATOM 0 H GLU A 87 -10.518 -2.193 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.673 0.349 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.765 -2.276 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.757 -0.876 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.993 -1.732 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.205 -2.911 -6.855 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.089 -0.616 -2.761 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.084 -0.185 -1.370 1.00 0.00 C ATOM 1339 C VAL A 88 -10.344 1.139 -1.207 1.00 0.00 C ATOM 1340 O VAL A 88 -10.795 2.031 -0.489 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.430 -1.239 -0.455 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.574 -0.844 1.007 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.037 -2.613 -0.704 1.00 0.00 C ATOM 0 H VAL A 88 -10.577 -1.480 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.126 -0.056 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.367 -1.287 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.106 -1.601 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.088 0.117 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.631 -0.765 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.563 -3.344 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.107 -2.581 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.876 -2.899 -1.744 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.203 1.260 -1.880 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.400 2.475 -1.812 1.00 0.00 C ATOM 1355 C ILE A 89 -9.097 3.636 -2.512 1.00 0.00 C ATOM 1356 O ILE A 89 -9.180 4.740 -1.972 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.009 2.267 -2.446 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.342 1.016 -1.872 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.133 3.491 -2.219 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.437 0.309 -2.857 1.00 0.00 C ATOM 0 H ILE A 89 -8.815 0.531 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.277 2.713 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.135 2.128 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.761 1.294 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.114 0.323 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.155 3.328 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.602 4.364 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.013 3.659 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.998 -0.569 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.017 -0.000 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.643 0.986 -3.173 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.595 3.381 -3.718 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.283 4.406 -4.493 1.00 0.00 C ATOM 1374 C GLN A 90 -11.595 4.807 -3.826 1.00 0.00 C ATOM 1375 O GLN A 90 -11.968 5.980 -3.822 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.553 3.905 -5.913 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.290 3.594 -6.699 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.309 4.186 -8.095 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.210 5.401 -8.267 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.439 3.328 -9.100 1.00 0.00 N ATOM 0 H GLN A 90 -9.535 2.473 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.638 5.283 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.169 3.007 -5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.130 4.657 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.426 3.979 -6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.167 2.513 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.518 2.329 -8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.460 3.668 -10.061 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.292 3.826 -3.261 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.562 4.078 -2.591 1.00 0.00 C ATOM 1391 C ALA A 91 -13.378 5.002 -1.392 1.00 0.00 C ATOM 1392 O ALA A 91 -14.277 5.767 -1.042 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.199 2.767 -2.156 1.00 0.00 C ATOM 0 H ALA A 91 -11.998 2.849 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.225 4.574 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.147 2.971 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.377 2.141 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.531 2.249 -1.468 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.207 4.927 -0.767 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.906 5.756 0.393 1.00 0.00 C ATOM 1401 C ALA A 92 -11.333 7.105 -0.029 1.00 0.00 C ATOM 1402 O ALA A 92 -11.982 8.140 0.117 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.939 5.035 1.320 1.00 0.00 C ATOM 0 H ALA A 92 -11.452 4.300 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.837 5.939 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.723 5.666 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.387 4.100 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.013 4.822 0.785 1.00 0.00 H new ATOM 1409 N SER A 93 -10.111 7.085 -0.550 1.00 0.00 N ATOM 1410 CA SER A 93 -9.450 8.306 -0.993 1.00 0.00 C ATOM 1411 C SER A 93 -9.292 8.322 -2.510 1.00 0.00 C ATOM 1412 O SER A 93 -9.372 7.281 -3.164 1.00 0.00 O ATOM 1413 CB SER A 93 -8.081 8.439 -0.322 1.00 0.00 C ATOM 1414 OG SER A 93 -8.078 9.491 0.627 1.00 0.00 O ATOM 0 H SER A 93 -9.559 6.237 -0.676 1.00 0.00 H new ATOM 0 HA SER A 93 -10.073 9.153 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.821 7.501 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.318 8.625 -1.078 1.00 0.00 H new ATOM 0 HG SER A 93 -7.193 9.554 1.043 1.00 0.00 H new ATOM 1420 N SER A 94 -9.067 9.508 -3.066 1.00 0.00 N ATOM 1421 CA SER A 94 -8.898 9.660 -4.506 1.00 0.00 C ATOM 1422 C SER A 94 -8.050 10.886 -4.829 1.00 0.00 C ATOM 1423 O SER A 94 -8.129 11.906 -4.143 1.00 0.00 O ATOM 1424 CB SER A 94 -10.261 9.772 -5.191 1.00 0.00 C ATOM 1425 OG SER A 94 -10.716 8.506 -5.636 1.00 0.00 O ATOM 0 H SER A 94 -8.997 10.379 -2.540 1.00 0.00 H new ATOM 0 HA SER A 94 -8.382 8.776 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.986 10.199 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.190 10.454 -6.038 1.00 0.00 H new ATOM 0 HG SER A 94 -10.439 7.816 -4.997 1.00 0.00 H new ATOM 1431 N SER A 95 -7.240 10.780 -5.877 1.00 0.00 N ATOM 1432 CA SER A 95 -6.378 11.880 -6.291 1.00 0.00 C ATOM 1433 C SER A 95 -5.921 11.700 -7.736 1.00 0.00 C ATOM 1434 O SER A 95 -6.299 10.735 -8.400 1.00 0.00 O ATOM 1435 CB SER A 95 -5.161 11.977 -5.368 1.00 0.00 C ATOM 1436 OG SER A 95 -5.417 12.844 -4.276 1.00 0.00 O ATOM 0 H SER A 95 -7.163 9.943 -6.455 1.00 0.00 H new ATOM 0 HA SER A 95 -6.952 12.804 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.903 10.985 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.301 12.340 -5.931 1.00 0.00 H new ATOM 0 HG SER A 95 -6.348 12.740 -3.987 1.00 0.00 H new ATOM 1442 N GLY A 96 -5.107 12.634 -8.215 1.00 0.00 N ATOM 1443 CA GLY A 96 -4.614 12.559 -9.578 1.00 0.00 C ATOM 1444 C GLY A 96 -3.628 13.667 -9.901 1.00 0.00 C ATOM 1445 O GLY A 96 -3.772 14.788 -9.414 1.00 0.00 O ATOM 0 H GLY A 96 -4.780 13.441 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.134 11.593 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.455 12.613 -10.269 1.00 0.00 H new ATOM 1449 N PRO A 97 -2.605 13.383 -10.728 1.00 0.00 N ATOM 1450 CA PRO A 97 -1.597 14.377 -11.106 1.00 0.00 C ATOM 1451 C PRO A 97 -2.133 15.394 -12.107 1.00 0.00 C ATOM 1452 O PRO A 97 -1.977 15.230 -13.317 1.00 0.00 O ATOM 1453 CB PRO A 97 -0.495 13.531 -11.742 1.00 0.00 C ATOM 1454 CG PRO A 97 -1.204 12.343 -12.292 1.00 0.00 C ATOM 1455 CD PRO A 97 -2.352 12.072 -11.357 1.00 0.00 C ATOM 0 HA PRO A 97 -1.264 14.968 -10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.024 14.081 -12.527 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.255 13.240 -11.007 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.562 12.537 -13.303 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.537 11.483 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.229 11.709 -11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.095 11.315 -10.616 1.00 0.00 H new ATOM 1463 N SER A 98 -2.763 16.447 -11.595 1.00 0.00 N ATOM 1464 CA SER A 98 -3.321 17.493 -12.445 1.00 0.00 C ATOM 1465 C SER A 98 -2.743 18.856 -12.080 1.00 0.00 C ATOM 1466 O SER A 98 -3.418 19.879 -12.199 1.00 0.00 O ATOM 1467 CB SER A 98 -4.846 17.520 -12.320 1.00 0.00 C ATOM 1468 OG SER A 98 -5.247 18.166 -11.124 1.00 0.00 O ATOM 0 H SER A 98 -2.900 16.598 -10.596 1.00 0.00 H new ATOM 0 HA SER A 98 -3.053 17.271 -13.478 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.276 18.037 -13.178 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.234 16.501 -12.335 1.00 0.00 H new ATOM 0 HG SER A 98 -6.225 18.172 -11.068 1.00 0.00 H new ATOM 1474 N SER A 99 -1.491 18.863 -11.635 1.00 0.00 N ATOM 1475 CA SER A 99 -0.823 20.101 -11.253 1.00 0.00 C ATOM 1476 C SER A 99 0.561 20.191 -11.888 1.00 0.00 C ATOM 1477 O SER A 99 0.968 19.306 -12.641 1.00 0.00 O ATOM 1478 CB SER A 99 -0.704 20.192 -9.731 1.00 0.00 C ATOM 1479 OG SER A 99 -1.956 19.972 -9.106 1.00 0.00 O ATOM 0 H SER A 99 -0.919 18.025 -11.530 1.00 0.00 H new ATOM 0 HA SER A 99 -1.424 20.935 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.017 19.456 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.322 21.174 -9.451 1.00 0.00 H new ATOM 0 HG SER A 99 -1.852 20.034 -8.134 1.00 0.00 H new ATOM 1485 N GLY A 100 1.279 21.266 -11.582 1.00 0.00 N ATOM 1486 CA GLY A 100 2.610 21.452 -12.130 1.00 0.00 C ATOM 1487 C GLY A 100 2.699 22.664 -13.037 1.00 0.00 C ATOM 1488 O GLY A 100 2.237 23.749 -12.624 1.00 0.00 O ATOM 1489 OXT GLY A 100 3.232 22.529 -14.158 1.00 0.00 O ATOM 0 H GLY A 100 0.963 22.013 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.324 21.560 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.897 20.562 -12.689 1.00 0.00 H new TER 1493 GLY A 100