USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 77 GLN : amide:sc= 0.00082 X(o=-0.38,f=-0.54) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.2!) USER MOD Set 2.1: A 5 HIS : no HE2:sc= -0.0197 X(o=-0.018,f=-0.43) USER MOD Set 2.2: A 7 SER OG : rot 74:sc= 0.00213 USER MOD Set 3.1: A 4 HIS : no HE2:sc= 0.119 K(o=-2.1,f=-3.6) USER MOD Set 3.2: A 74 GLN : amide:sc= -2.2 X(o=-2.1,f=-2) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.664 X(o=-0.66,f=-0.49) USER MOD Single : A 9 MET CE :methyl -164:sc= -0.0376 (180deg=-0.384) USER MOD Single : A 13 THR OG1 : rot -130:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.062) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.068 K(o=-0.068,f=-2.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 44:sc= 0.0828 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 38 THR OG1 : rot 1:sc= 0.882 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= 0.0593 (180deg=-0.388) USER MOD Single : A 52 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.19 X(o=-0.19,f=-0.076) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 52:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -11.053 -17.704 8.459 1.00 75.00 N ATOM 2 CA HIS A 1 -9.611 -17.951 8.232 1.00 75.00 C ATOM 3 C HIS A 1 -9.294 -17.880 6.730 1.00 75.00 C ATOM 4 O HIS A 1 -9.892 -18.613 5.933 1.00 75.00 O ATOM 5 CB HIS A 1 -9.173 -19.333 8.796 1.00 75.00 C ATOM 6 CG HIS A 1 -9.322 -19.484 10.284 1.00 75.00 C ATOM 7 ND1 HIS A 1 -8.457 -18.909 11.190 1.00 75.00 N ATOM 8 CD2 HIS A 1 -10.236 -20.158 11.022 1.00 75.00 C ATOM 9 CE1 HIS A 1 -8.834 -19.227 12.411 1.00 75.00 C ATOM 10 NE2 HIS A 1 -9.910 -19.977 12.335 1.00 75.00 N ATOM 0 H1 HIS A 1 -11.258 -17.754 9.477 1.00 75.00 H new ATOM 0 H2 HIS A 1 -11.304 -16.760 8.101 1.00 75.00 H new ATOM 0 H3 HIS A 1 -11.612 -18.424 7.958 1.00 75.00 H new ATOM 0 HA HIS A 1 -9.054 -17.177 8.761 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -9.758 -20.111 8.306 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -8.130 -19.504 8.531 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -11.068 -20.732 10.642 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -8.341 -18.922 13.322 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -10.420 -20.362 13.130 1.00 75.00 H new ATOM 21 N HIS A 2 -8.343 -16.994 6.367 1.00 75.00 N ATOM 22 CA HIS A 2 -7.854 -16.837 4.991 1.00 75.00 C ATOM 23 C HIS A 2 -6.550 -17.638 4.842 1.00 75.00 C ATOM 24 O HIS A 2 -5.635 -17.491 5.668 1.00 75.00 O ATOM 25 CB HIS A 2 -7.618 -15.333 4.663 1.00 75.00 C ATOM 26 CG HIS A 2 -7.383 -15.046 3.199 1.00 75.00 C ATOM 27 ND1 HIS A 2 -8.364 -14.547 2.374 1.00 75.00 N ATOM 28 CD2 HIS A 2 -6.286 -15.189 2.418 1.00 75.00 C ATOM 29 CE1 HIS A 2 -7.886 -14.397 1.159 1.00 75.00 C ATOM 30 NE2 HIS A 2 -6.630 -14.779 1.161 1.00 75.00 N ATOM 0 H HIS A 2 -7.892 -16.364 7.031 1.00 75.00 H new ATOM 0 HA HIS A 2 -8.598 -17.214 4.289 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -8.482 -14.760 5.000 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -6.759 -14.979 5.233 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -5.320 -15.558 2.730 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -8.433 -14.024 0.306 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -6.009 -14.771 0.352 1.00 75.00 H new ATOM 39 N HIS A 3 -6.476 -18.469 3.781 1.00 75.00 N ATOM 40 CA HIS A 3 -5.324 -19.352 3.506 1.00 75.00 C ATOM 41 C HIS A 3 -4.061 -18.522 3.204 1.00 75.00 C ATOM 42 O HIS A 3 -4.096 -17.564 2.426 1.00 75.00 O ATOM 43 CB HIS A 3 -5.635 -20.334 2.343 1.00 75.00 C ATOM 44 CG HIS A 3 -6.692 -21.350 2.681 1.00 75.00 C ATOM 45 ND1 HIS A 3 -6.397 -22.631 3.084 1.00 75.00 N ATOM 46 CD2 HIS A 3 -8.044 -21.264 2.680 1.00 75.00 C ATOM 47 CE1 HIS A 3 -7.514 -23.286 3.307 1.00 75.00 C ATOM 48 NE2 HIS A 3 -8.526 -22.482 3.069 1.00 75.00 N ATOM 0 H HIS A 3 -7.219 -18.546 3.087 1.00 75.00 H new ATOM 0 HA HIS A 3 -5.135 -19.946 4.400 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -5.957 -19.763 1.472 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -4.719 -20.854 2.063 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -8.631 -20.395 2.420 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -7.588 -24.313 3.632 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -9.512 -22.727 3.160 1.00 75.00 H new ATOM 57 N HIS A 4 -2.957 -18.923 3.840 1.00 75.00 N ATOM 58 CA HIS A 4 -1.693 -18.172 3.876 1.00 75.00 C ATOM 59 C HIS A 4 -0.712 -18.729 2.835 1.00 75.00 C ATOM 60 O HIS A 4 -0.656 -19.941 2.613 1.00 75.00 O ATOM 61 CB HIS A 4 -1.097 -18.255 5.304 1.00 75.00 C ATOM 62 CG HIS A 4 -2.027 -17.736 6.374 1.00 75.00 C ATOM 63 ND1 HIS A 4 -2.219 -16.390 6.617 1.00 75.00 N ATOM 64 CD2 HIS A 4 -2.853 -18.388 7.226 1.00 75.00 C ATOM 65 CE1 HIS A 4 -3.122 -16.245 7.567 1.00 75.00 C ATOM 66 NE2 HIS A 4 -3.514 -17.438 7.955 1.00 75.00 N ATOM 0 H HIS A 4 -2.913 -19.801 4.358 1.00 75.00 H new ATOM 0 HA HIS A 4 -1.878 -17.127 3.629 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -0.845 -19.292 5.524 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -0.167 -17.687 5.335 1.00 75.00 H new ATOM 0 HD1 HIS A 4 -1.738 -15.629 6.138 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -2.968 -19.458 7.314 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.479 -15.305 7.960 1.00 75.00 H new ATOM 75 N HIS A 5 0.072 -17.825 2.225 1.00 75.00 N ATOM 76 CA HIS A 5 0.999 -18.160 1.120 1.00 75.00 C ATOM 77 C HIS A 5 2.155 -17.140 1.079 1.00 75.00 C ATOM 78 O HIS A 5 2.248 -16.276 1.958 1.00 75.00 O ATOM 79 CB HIS A 5 0.232 -18.177 -0.235 1.00 75.00 C ATOM 80 CG HIS A 5 -0.332 -16.828 -0.641 1.00 75.00 C ATOM 81 ND1 HIS A 5 0.297 -15.991 -1.541 1.00 75.00 N ATOM 82 CD2 HIS A 5 -1.457 -16.175 -0.254 1.00 75.00 C ATOM 83 CE1 HIS A 5 -0.412 -14.893 -1.687 1.00 75.00 C ATOM 84 NE2 HIS A 5 -1.477 -14.977 -0.919 1.00 75.00 N ATOM 0 H HIS A 5 0.084 -16.838 2.481 1.00 75.00 H new ATOM 0 HA HIS A 5 1.417 -19.152 1.290 1.00 75.00 H new ATOM 0 HB2 HIS A 5 0.905 -18.529 -1.017 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.585 -18.896 -0.170 1.00 75.00 H new ATOM 0 HD1 HIS A 5 1.175 -16.193 -2.019 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -2.197 -16.532 0.446 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -0.162 -14.062 -2.330 1.00 75.00 H new ATOM 93 N HIS A 6 3.025 -17.246 0.046 1.00 75.00 N ATOM 94 CA HIS A 6 4.121 -16.276 -0.195 1.00 75.00 C ATOM 95 C HIS A 6 3.540 -14.874 -0.447 1.00 75.00 C ATOM 96 O HIS A 6 2.871 -14.650 -1.460 1.00 75.00 O ATOM 97 CB HIS A 6 5.007 -16.697 -1.399 1.00 75.00 C ATOM 98 CG HIS A 6 5.796 -17.956 -1.189 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.835 -18.979 -2.107 1.00 75.00 N ATOM 100 CD2 HIS A 6 6.616 -18.329 -0.182 1.00 75.00 C ATOM 101 CE1 HIS A 6 6.640 -19.923 -1.674 1.00 75.00 C ATOM 102 NE2 HIS A 6 7.131 -19.548 -0.516 1.00 75.00 N ATOM 0 H HIS A 6 2.988 -18.001 -0.639 1.00 75.00 H new ATOM 0 HA HIS A 6 4.748 -16.260 0.697 1.00 75.00 H new ATOM 0 HB2 HIS A 6 4.370 -16.826 -2.274 1.00 75.00 H new ATOM 0 HB3 HIS A 6 5.698 -15.885 -1.625 1.00 75.00 H new ATOM 0 HD2 HIS A 6 6.825 -17.768 0.717 1.00 75.00 H new ATOM 0 HE1 HIS A 6 6.860 -20.849 -2.184 1.00 75.00 H new ATOM 0 HE2 HIS A 6 7.793 -20.083 0.046 1.00 75.00 H new ATOM 111 N SER A 7 3.782 -13.960 0.500 1.00 75.00 N ATOM 112 CA SER A 7 3.220 -12.596 0.497 1.00 75.00 C ATOM 113 C SER A 7 4.282 -11.590 0.991 1.00 75.00 C ATOM 114 O SER A 7 5.454 -11.950 1.165 1.00 75.00 O ATOM 115 CB SER A 7 1.951 -12.555 1.403 1.00 75.00 C ATOM 116 OG SER A 7 0.996 -13.527 1.003 1.00 75.00 O ATOM 0 H SER A 7 4.382 -14.146 1.304 1.00 75.00 H new ATOM 0 HA SER A 7 2.933 -12.319 -0.517 1.00 75.00 H new ATOM 0 HB2 SER A 7 2.237 -12.729 2.440 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.503 -11.563 1.359 1.00 75.00 H new ATOM 0 HG SER A 7 1.301 -14.417 1.276 1.00 75.00 H new ATOM 122 N HIS A 8 3.879 -10.323 1.184 1.00 50.00 N ATOM 123 CA HIS A 8 4.698 -9.324 1.901 1.00 50.00 C ATOM 124 C HIS A 8 4.461 -9.499 3.405 1.00 50.00 C ATOM 125 O HIS A 8 3.369 -9.937 3.809 1.00 50.00 O ATOM 126 CB HIS A 8 4.349 -7.883 1.456 1.00 50.00 C ATOM 127 CG HIS A 8 4.730 -7.557 0.038 1.00 50.00 C ATOM 128 ND1 HIS A 8 4.910 -6.272 -0.403 1.00 75.00 N ATOM 129 CD2 HIS A 8 4.931 -8.348 -1.047 1.00 75.00 C ATOM 130 CE1 HIS A 8 5.198 -6.284 -1.687 1.00 75.00 C ATOM 131 NE2 HIS A 8 5.216 -7.531 -2.101 1.00 75.00 N ATOM 0 H HIS A 8 2.985 -9.962 0.852 1.00 50.00 H new ATOM 0 HA HIS A 8 5.751 -9.482 1.666 1.00 50.00 H new ATOM 0 HB2 HIS A 8 3.276 -7.730 1.575 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.847 -7.180 2.123 1.00 50.00 H new ATOM 0 HD1 HIS A 8 4.833 -5.435 0.175 1.00 75.00 H new ATOM 0 HD2 HIS A 8 4.875 -9.426 -1.071 1.00 75.00 H new ATOM 0 HE1 HIS A 8 5.388 -5.414 -2.298 1.00 75.00 H new ATOM 140 N MET A 9 5.489 -9.172 4.214 1.00 10.00 N ATOM 141 CA MET A 9 5.468 -9.370 5.675 1.00 10.00 C ATOM 142 C MET A 9 4.327 -8.569 6.320 1.00 10.00 C ATOM 143 O MET A 9 4.022 -7.458 5.889 1.00 50.00 O ATOM 144 CB MET A 9 6.834 -8.982 6.324 1.00 50.00 C ATOM 145 CG MET A 9 7.247 -7.504 6.177 1.00 50.00 C ATOM 146 SD MET A 9 8.835 -7.145 6.966 1.00 50.00 S ATOM 147 CE MET A 9 8.468 -7.438 8.704 1.00 75.00 C ATOM 0 H MET A 9 6.358 -8.763 3.871 1.00 10.00 H new ATOM 0 HA MET A 9 5.296 -10.431 5.857 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.793 -9.225 7.386 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.614 -9.604 5.884 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.306 -7.250 5.119 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.476 -6.870 6.615 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.248 -6.991 9.321 1.00 75.00 H new ATOM 0 HE2 MET A 9 7.506 -6.990 8.953 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.428 -8.511 8.891 1.00 75.00 H new ATOM 157 N VAL A 10 3.680 -9.177 7.319 1.00 10.00 N ATOM 158 CA VAL A 10 2.642 -8.522 8.123 1.00 10.00 C ATOM 159 C VAL A 10 3.219 -7.287 8.851 1.00 10.00 C ATOM 160 O VAL A 10 4.208 -7.392 9.582 1.00 50.00 O ATOM 161 CB VAL A 10 2.005 -9.530 9.151 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.005 -10.478 8.457 1.00 50.00 C ATOM 163 CG2 VAL A 10 3.096 -10.333 9.917 1.00 50.00 C ATOM 0 H VAL A 10 3.862 -10.142 7.595 1.00 10.00 H new ATOM 0 HA VAL A 10 1.853 -8.186 7.450 1.00 10.00 H new ATOM 0 HB VAL A 10 1.455 -8.941 9.885 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.582 -11.162 9.192 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.205 -9.894 8.003 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.521 -11.049 7.685 1.00 50.00 H new ATOM 0 HG21 VAL A 10 2.619 -11.018 10.617 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.696 -10.901 9.206 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.738 -9.643 10.465 1.00 50.00 H new ATOM 173 N GLY A 11 2.600 -6.122 8.604 1.00 10.00 N ATOM 174 CA GLY A 11 3.097 -4.858 9.121 1.00 10.00 C ATOM 175 C GLY A 11 4.020 -4.120 8.145 1.00 10.00 C ATOM 176 O GLY A 11 4.657 -3.148 8.545 1.00 50.00 O ATOM 0 H GLY A 11 1.751 -6.040 8.045 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.251 -4.216 9.364 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.636 -5.041 10.051 1.00 10.00 H new ATOM 180 N ASP A 12 4.117 -4.596 6.879 1.00 10.00 N ATOM 181 CA ASP A 12 5.040 -4.023 5.858 1.00 10.00 C ATOM 182 C ASP A 12 4.778 -2.507 5.671 1.00 10.00 C ATOM 183 O ASP A 12 3.791 -2.122 5.046 1.00 50.00 O ATOM 184 CB ASP A 12 4.850 -4.762 4.497 1.00 50.00 C ATOM 185 CG ASP A 12 5.909 -4.464 3.421 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.904 -3.755 3.693 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.729 -4.912 2.272 1.00 50.00 O ATOM 0 H ASP A 12 3.564 -5.381 6.535 1.00 10.00 H new ATOM 0 HA ASP A 12 6.064 -4.158 6.205 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.843 -5.836 4.686 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.870 -4.502 4.097 1.00 50.00 H new ATOM 192 N THR A 13 5.689 -1.664 6.193 1.00 10.00 N ATOM 193 CA THR A 13 5.473 -0.214 6.273 1.00 10.00 C ATOM 194 C THR A 13 5.575 0.413 4.868 1.00 10.00 C ATOM 195 O THR A 13 6.658 0.515 4.290 1.00 50.00 O ATOM 196 CB THR A 13 6.508 0.438 7.242 1.00 50.00 C ATOM 197 OG1 THR A 13 6.451 -0.233 8.519 1.00 50.00 O ATOM 198 CG2 THR A 13 6.265 1.956 7.428 1.00 50.00 C ATOM 0 H THR A 13 6.587 -1.969 6.567 1.00 10.00 H new ATOM 0 HA THR A 13 4.474 -0.028 6.666 1.00 10.00 H new ATOM 0 HB THR A 13 7.498 0.325 6.800 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.372 0.432 9.235 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.011 2.363 8.111 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.344 2.458 6.464 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.269 2.117 7.841 1.00 50.00 H new ATOM 206 N VAL A 14 4.414 0.799 4.325 1.00 10.00 N ATOM 207 CA VAL A 14 4.261 1.295 2.946 1.00 10.00 C ATOM 208 C VAL A 14 3.499 2.628 2.927 1.00 10.00 C ATOM 209 O VAL A 14 3.022 3.107 3.958 1.00 50.00 O ATOM 210 CB VAL A 14 3.501 0.242 2.053 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.313 -1.063 1.919 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.071 -0.027 2.598 1.00 50.00 C ATOM 0 H VAL A 14 3.534 0.776 4.841 1.00 10.00 H new ATOM 0 HA VAL A 14 5.260 1.451 2.538 1.00 10.00 H new ATOM 0 HB VAL A 14 3.395 0.664 1.054 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.764 -1.771 1.298 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.276 -0.846 1.458 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.473 -1.495 2.907 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.571 -0.757 1.962 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.136 -0.415 3.614 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.502 0.903 2.600 1.00 50.00 H new ATOM 222 N TRP A 15 3.426 3.214 1.735 1.00 10.00 N ATOM 223 CA TRP A 15 2.615 4.395 1.430 1.00 10.00 C ATOM 224 C TRP A 15 1.567 3.998 0.390 1.00 10.00 C ATOM 225 O TRP A 15 1.813 3.103 -0.420 1.00 50.00 O ATOM 226 CB TRP A 15 3.518 5.541 0.879 1.00 50.00 C ATOM 227 CG TRP A 15 4.455 6.153 1.907 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.227 6.286 3.245 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.757 6.716 1.674 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.286 6.904 3.851 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.239 7.178 2.912 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.555 6.876 0.545 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.479 7.794 3.054 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.791 7.485 0.685 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.241 7.939 1.931 1.00 50.00 C ATOM 0 H TRP A 15 3.945 2.871 0.927 1.00 10.00 H new ATOM 0 HA TRP A 15 2.125 4.758 2.334 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.111 5.153 0.051 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.880 6.327 0.474 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.336 5.951 3.754 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.353 7.125 4.845 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.217 6.532 -0.421 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.825 8.144 4.016 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.420 7.612 -0.184 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.209 8.413 2.005 1.00 50.00 H new ATOM 246 N VAL A 16 0.406 4.672 0.412 1.00 10.00 N ATOM 247 CA VAL A 16 -0.649 4.477 -0.590 1.00 10.00 C ATOM 248 C VAL A 16 -0.673 5.713 -1.503 1.00 10.00 C ATOM 249 O VAL A 16 -1.018 6.824 -1.077 1.00 50.00 O ATOM 250 CB VAL A 16 -2.065 4.210 0.061 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.205 4.237 -1.000 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.050 2.847 0.802 1.00 50.00 C ATOM 0 H VAL A 16 0.175 5.365 1.124 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.425 3.583 -1.172 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.265 5.011 0.773 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.161 4.049 -0.512 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.230 5.214 -1.483 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.023 3.467 -1.749 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.027 2.666 1.250 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.822 2.050 0.094 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.291 2.866 1.584 1.00 50.00 H new ATOM 262 N ARG A 17 -0.222 5.485 -2.747 1.00 10.00 N ATOM 263 CA ARG A 17 -0.099 6.504 -3.781 1.00 10.00 C ATOM 264 C ARG A 17 -1.443 6.639 -4.550 1.00 10.00 C ATOM 265 O ARG A 17 -1.704 5.935 -5.537 1.00 50.00 O ATOM 266 CB ARG A 17 1.084 6.099 -4.713 1.00 50.00 C ATOM 267 CG ARG A 17 1.518 7.186 -5.700 1.00 50.00 C ATOM 268 CD ARG A 17 2.680 6.761 -6.621 1.00 50.00 C ATOM 269 NE ARG A 17 2.311 5.660 -7.539 1.00 50.00 N ATOM 270 CZ ARG A 17 2.988 5.333 -8.661 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.077 6.008 -9.028 1.00 75.00 N ATOM 272 NH2 ARG A 17 2.566 4.322 -9.410 1.00 75.00 N ATOM 0 H ARG A 17 0.073 4.560 -3.061 1.00 10.00 H new ATOM 0 HA ARG A 17 0.115 7.483 -3.352 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.939 5.825 -4.095 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.799 5.209 -5.275 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.663 7.468 -6.315 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.815 8.074 -5.141 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.008 7.621 -7.205 1.00 50.00 H new ATOM 0 HD3 ARG A 17 3.527 6.450 -6.010 1.00 50.00 H new ATOM 0 HE ARG A 17 1.485 5.108 -7.307 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.411 6.785 -8.458 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.576 5.747 -9.879 1.00 75.00 H new ATOM 0 HH21 ARG A 17 1.735 3.797 -9.137 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.073 4.070 -10.259 1.00 75.00 H new ATOM 286 N ARG A 18 -2.294 7.542 -4.049 1.00 10.00 N ATOM 287 CA ARG A 18 -3.656 7.788 -4.571 1.00 10.00 C ATOM 288 C ARG A 18 -3.649 9.007 -5.508 1.00 10.00 C ATOM 289 O ARG A 18 -3.194 10.086 -5.109 1.00 50.00 O ATOM 290 CB ARG A 18 -4.620 8.034 -3.380 1.00 50.00 C ATOM 291 CG ARG A 18 -6.070 8.427 -3.770 1.00 50.00 C ATOM 292 CD ARG A 18 -6.934 8.735 -2.536 1.00 50.00 C ATOM 293 NE ARG A 18 -8.304 9.170 -2.880 1.00 75.00 N ATOM 294 CZ ARG A 18 -8.975 10.164 -2.269 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.412 10.857 -1.285 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.209 10.464 -2.649 1.00 75.00 N ATOM 0 H ARG A 18 -2.057 8.136 -3.255 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.993 6.919 -5.137 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.657 7.130 -2.772 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.203 8.823 -2.754 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.046 9.299 -4.423 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.525 7.616 -4.338 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.989 7.846 -1.907 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.450 9.513 -1.946 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.777 8.679 -3.639 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -7.462 10.638 -0.986 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -8.930 11.608 -0.829 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.651 9.941 -3.405 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -10.716 11.217 -2.185 1.00 75.00 H new ATOM 310 N HIS A 19 -4.189 8.841 -6.738 1.00 50.00 N ATOM 311 CA HIS A 19 -4.233 9.930 -7.729 1.00 50.00 C ATOM 312 C HIS A 19 -5.187 11.037 -7.264 1.00 50.00 C ATOM 313 O HIS A 19 -6.248 10.755 -6.698 1.00 75.00 O ATOM 314 CB HIS A 19 -4.614 9.421 -9.155 1.00 75.00 C ATOM 315 CG HIS A 19 -6.060 9.006 -9.338 1.00 75.00 C ATOM 316 ND1 HIS A 19 -6.509 7.727 -9.117 1.00 75.00 N ATOM 317 CD2 HIS A 19 -7.148 9.719 -9.728 1.00 75.00 C ATOM 318 CE1 HIS A 19 -7.802 7.672 -9.357 1.00 75.00 C ATOM 319 NE2 HIS A 19 -8.211 8.867 -9.725 1.00 75.00 N ATOM 0 H HIS A 19 -4.598 7.965 -7.063 1.00 50.00 H new ATOM 0 HA HIS A 19 -3.227 10.343 -7.804 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -4.387 10.208 -9.875 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -3.977 8.571 -9.400 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -7.167 10.766 -9.991 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -8.423 6.793 -9.267 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -9.170 9.116 -9.969 1.00 75.00 H new ATOM 328 N GLN A 20 -4.771 12.293 -7.464 1.00 75.00 N ATOM 329 CA GLN A 20 -5.625 13.467 -7.211 1.00 75.00 C ATOM 330 C GLN A 20 -6.502 13.693 -8.438 1.00 75.00 C ATOM 331 O GLN A 20 -7.719 13.877 -8.340 1.00 75.00 O ATOM 332 CB GLN A 20 -4.758 14.717 -6.912 1.00 75.00 C ATOM 333 CG GLN A 20 -3.742 14.528 -5.771 1.00 75.00 C ATOM 334 CD GLN A 20 -4.367 14.044 -4.460 1.00 75.00 C ATOM 335 OE1 GLN A 20 -4.777 14.839 -3.615 1.00 75.00 O ATOM 336 NE2 GLN A 20 -4.430 12.733 -4.272 1.00 75.00 N ATOM 0 H GLN A 20 -3.838 12.527 -7.804 1.00 75.00 H new ATOM 0 HA GLN A 20 -6.253 13.291 -6.338 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -4.221 14.997 -7.818 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -5.416 15.549 -6.662 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -2.984 13.812 -6.087 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -3.231 15.474 -5.592 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -4.082 12.098 -4.990 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -4.826 12.360 -3.409 1.00 75.00 H new ATOM 345 N THR A 21 -5.836 13.654 -9.590 1.00 75.00 N ATOM 346 CA THR A 21 -6.448 13.725 -10.916 1.00 75.00 C ATOM 347 C THR A 21 -5.675 12.727 -11.819 1.00 75.00 C ATOM 348 O THR A 21 -4.721 12.083 -11.353 1.00 75.00 O ATOM 349 CB THR A 21 -6.360 15.203 -11.469 1.00 75.00 C ATOM 350 OG1 THR A 21 -6.828 16.124 -10.467 1.00 75.00 O ATOM 351 CG2 THR A 21 -7.182 15.425 -12.749 1.00 75.00 C ATOM 0 H THR A 21 -4.820 13.569 -9.628 1.00 75.00 H new ATOM 0 HA THR A 21 -7.505 13.460 -10.889 1.00 75.00 H new ATOM 0 HB THR A 21 -5.312 15.376 -11.713 1.00 75.00 H new ATOM 0 HG1 THR A 21 -6.771 17.040 -10.812 1.00 75.00 H new ATOM 0 HG21 THR A 21 -7.077 16.460 -13.074 1.00 75.00 H new ATOM 0 HG22 THR A 21 -6.821 14.760 -13.533 1.00 75.00 H new ATOM 0 HG23 THR A 21 -8.232 15.213 -12.548 1.00 75.00 H new ATOM 359 N LYS A 22 -6.108 12.546 -13.072 1.00 75.00 N ATOM 360 CA LYS A 22 -5.307 11.838 -14.090 1.00 75.00 C ATOM 361 C LYS A 22 -4.147 12.742 -14.540 1.00 75.00 C ATOM 362 O LYS A 22 -3.042 12.266 -14.825 1.00 75.00 O ATOM 363 CB LYS A 22 -6.183 11.451 -15.300 1.00 75.00 C ATOM 364 CG LYS A 22 -7.434 10.617 -14.946 1.00 75.00 C ATOM 365 CD LYS A 22 -8.195 10.138 -16.201 1.00 75.00 C ATOM 366 CE LYS A 22 -8.674 11.299 -17.097 1.00 75.00 C ATOM 367 NZ LYS A 22 -9.295 10.804 -18.352 1.00 75.00 N ATOM 0 H LYS A 22 -7.011 12.879 -13.411 1.00 75.00 H new ATOM 0 HA LYS A 22 -4.907 10.922 -13.656 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -6.501 12.361 -15.808 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -5.575 10.887 -16.007 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -7.135 9.752 -14.353 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.102 11.214 -14.325 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -7.548 9.481 -16.782 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -9.056 9.546 -15.892 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -9.394 11.908 -16.550 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -7.830 11.944 -17.339 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -9.605 11.612 -18.928 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -8.600 10.244 -18.886 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -10.116 10.208 -18.122 1.00 75.00 H new ATOM 381 N ASN A 23 -4.448 14.058 -14.609 1.00 75.00 N ATOM 382 CA ASN A 23 -3.476 15.107 -14.941 1.00 75.00 C ATOM 383 C ASN A 23 -2.410 15.214 -13.845 1.00 50.00 C ATOM 384 O ASN A 23 -1.224 15.020 -14.108 1.00 50.00 O ATOM 385 CB ASN A 23 -4.176 16.485 -15.147 1.00 50.00 C ATOM 386 CG ASN A 23 -5.165 16.515 -16.318 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.899 15.558 -16.569 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.172 17.610 -17.061 1.00 75.00 N ATOM 0 H ASN A 23 -5.386 14.419 -14.432 1.00 75.00 H new ATOM 0 HA ASN A 23 -2.994 14.830 -15.879 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -4.704 16.753 -14.232 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -3.414 17.247 -15.309 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -5.796 17.677 -17.865 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.553 18.387 -16.830 1.00 75.00 H new ATOM 395 N LEU A 24 -2.864 15.512 -12.613 1.00 10.00 N ATOM 396 CA LEU A 24 -1.991 15.624 -11.433 1.00 50.00 C ATOM 397 C LEU A 24 -1.436 14.235 -11.052 1.00 50.00 C ATOM 398 O LEU A 24 -2.189 13.252 -11.061 1.00 50.00 O ATOM 399 CB LEU A 24 -2.781 16.232 -10.243 1.00 50.00 C ATOM 400 CG LEU A 24 -3.393 17.650 -10.488 1.00 75.00 C ATOM 401 CD1 LEU A 24 -4.283 18.091 -9.311 1.00 75.00 C ATOM 402 CD2 LEU A 24 -2.288 18.688 -10.775 1.00 75.00 C ATOM 0 H LEU A 24 -3.849 15.682 -12.409 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.155 16.282 -11.671 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -3.588 15.549 -9.980 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.117 16.287 -9.381 1.00 50.00 H new ATOM 0 HG LEU A 24 -4.029 17.587 -11.371 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -4.692 19.081 -9.515 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.100 17.380 -9.186 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -3.688 18.125 -8.398 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -2.741 19.665 -10.942 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -1.610 18.743 -9.923 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -1.731 18.390 -11.663 1.00 75.00 H new ATOM 414 N GLU A 25 -0.131 14.176 -10.727 1.00 50.00 N ATOM 415 CA GLU A 25 0.551 12.920 -10.360 1.00 10.00 C ATOM 416 C GLU A 25 -0.088 12.288 -9.095 1.00 10.00 C ATOM 417 O GLU A 25 -0.564 13.021 -8.212 1.00 50.00 O ATOM 418 CB GLU A 25 2.074 13.144 -10.137 1.00 50.00 C ATOM 419 CG GLU A 25 2.862 13.524 -11.410 1.00 50.00 C ATOM 420 CD GLU A 25 4.386 13.517 -11.189 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.954 14.556 -10.772 1.00 75.00 O ATOM 422 OE2 GLU A 25 5.019 12.454 -11.395 1.00 75.00 O ATOM 0 H GLU A 25 0.478 14.994 -10.711 1.00 50.00 H new ATOM 0 HA GLU A 25 0.427 12.229 -11.194 1.00 10.00 H new ATOM 0 HB2 GLU A 25 2.207 13.931 -9.395 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.504 12.234 -9.718 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.612 12.826 -12.209 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.552 14.515 -11.743 1.00 50.00 H new ATOM 429 N PRO A 26 -0.139 10.915 -9.015 1.00 10.00 N ATOM 430 CA PRO A 26 -0.649 10.197 -7.831 1.00 50.00 C ATOM 431 C PRO A 26 0.114 10.562 -6.531 1.00 10.00 C ATOM 432 O PRO A 26 1.330 10.372 -6.430 1.00 50.00 O ATOM 433 CB PRO A 26 -0.500 8.702 -8.218 1.00 50.00 C ATOM 434 CG PRO A 26 -0.468 8.693 -9.717 1.00 50.00 C ATOM 435 CD PRO A 26 0.256 9.961 -10.097 1.00 50.00 C ATOM 0 HA PRO A 26 -1.679 10.464 -7.595 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.412 8.275 -7.801 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -1.332 8.110 -7.837 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.051 7.813 -10.096 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -1.475 8.673 -10.134 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.336 9.814 -10.130 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.048 10.319 -11.081 1.00 50.00 H new ATOM 443 N ARG A 27 -0.627 11.120 -5.571 1.00 10.00 N ATOM 444 CA ARG A 27 -0.101 11.621 -4.292 1.00 10.00 C ATOM 445 C ARG A 27 -0.049 10.489 -3.249 1.00 10.00 C ATOM 446 O ARG A 27 -1.079 9.889 -2.923 1.00 50.00 O ATOM 447 CB ARG A 27 -1.013 12.772 -3.809 1.00 50.00 C ATOM 448 CG ARG A 27 -0.592 13.448 -2.488 1.00 50.00 C ATOM 449 CD ARG A 27 -1.561 14.573 -2.090 1.00 50.00 C ATOM 450 NE ARG A 27 -1.159 15.244 -0.840 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.387 16.530 -0.540 1.00 75.00 C ATOM 452 NH1 ARG A 27 -2.015 17.338 -1.389 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.971 17.012 0.614 1.00 75.00 N ATOM 0 H ARG A 27 -1.636 11.241 -5.661 1.00 10.00 H new ATOM 0 HA ARG A 27 0.916 11.989 -4.426 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.052 13.532 -4.589 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.025 12.384 -3.691 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.554 12.702 -1.694 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.414 13.854 -2.592 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.611 15.307 -2.894 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -2.563 14.161 -1.972 1.00 50.00 H new ATOM 0 HE ARG A 27 -0.666 14.682 -0.146 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -2.334 16.982 -2.290 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -2.178 18.313 -1.139 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.479 16.407 1.272 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.141 17.990 0.849 1.00 75.00 H new ATOM 467 N TRP A 28 1.159 10.209 -2.749 1.00 10.00 N ATOM 468 CA TRP A 28 1.398 9.198 -1.702 1.00 10.00 C ATOM 469 C TRP A 28 0.917 9.701 -0.324 1.00 10.00 C ATOM 470 O TRP A 28 0.934 10.906 -0.064 1.00 50.00 O ATOM 471 CB TRP A 28 2.910 8.841 -1.652 1.00 50.00 C ATOM 472 CG TRP A 28 3.805 10.010 -1.288 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.323 10.952 -2.135 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.275 10.362 0.029 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.094 11.843 -1.431 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.077 11.504 -0.102 1.00 50.00 C ATOM 477 CE3 TRP A 28 4.091 9.810 1.296 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.697 12.107 0.984 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.701 10.406 2.380 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.500 11.544 2.219 1.00 50.00 C ATOM 0 H TRP A 28 2.009 10.680 -3.059 1.00 10.00 H new ATOM 0 HA TRP A 28 0.826 8.303 -1.948 1.00 10.00 H new ATOM 0 HB2 TRP A 28 3.061 8.041 -0.927 1.00 50.00 H new ATOM 0 HB3 TRP A 28 3.214 8.452 -2.624 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.150 10.989 -3.200 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.600 12.633 -1.833 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.480 8.929 1.427 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.311 12.987 0.861 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.560 9.989 3.366 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.971 11.987 3.084 1.00 50.00 H new ATOM 491 N LYS A 29 0.478 8.767 0.541 1.00 10.00 N ATOM 492 CA LYS A 29 0.121 9.053 1.957 1.00 10.00 C ATOM 493 C LYS A 29 0.625 7.916 2.856 1.00 10.00 C ATOM 494 O LYS A 29 0.750 6.784 2.391 1.00 50.00 O ATOM 495 CB LYS A 29 -1.419 9.206 2.113 1.00 50.00 C ATOM 496 CG LYS A 29 -2.041 10.364 1.294 1.00 50.00 C ATOM 497 CD LYS A 29 -3.555 10.526 1.532 1.00 50.00 C ATOM 498 CE LYS A 29 -4.366 9.287 1.116 1.00 50.00 C ATOM 499 NZ LYS A 29 -5.811 9.468 1.405 1.00 75.00 N ATOM 0 H LYS A 29 0.358 7.787 0.283 1.00 10.00 H new ATOM 0 HA LYS A 29 0.594 9.989 2.255 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.895 8.272 1.815 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.650 9.360 3.167 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.537 11.295 1.552 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -1.863 10.188 0.233 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.731 10.731 2.588 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -3.914 11.392 0.975 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.226 9.099 0.052 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -3.994 8.411 1.646 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -6.333 8.617 1.114 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -5.944 9.624 2.425 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -6.170 10.290 0.879 1.00 75.00 H new ATOM 513 N GLY A 30 0.900 8.211 4.142 1.00 10.00 N ATOM 514 CA GLY A 30 1.357 7.185 5.089 1.00 10.00 C ATOM 515 C GLY A 30 1.335 7.650 6.554 1.00 10.00 C ATOM 516 O GLY A 30 0.973 8.798 6.830 1.00 50.00 O ATOM 0 H GLY A 30 0.813 9.145 4.543 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.727 6.301 4.987 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.372 6.885 4.826 1.00 10.00 H new ATOM 520 N PRO A 31 1.729 6.774 7.542 1.00 10.00 N ATOM 521 CA PRO A 31 2.197 5.379 7.296 1.00 10.00 C ATOM 522 C PRO A 31 1.043 4.339 7.180 1.00 10.00 C ATOM 523 O PRO A 31 0.094 4.333 7.975 1.00 50.00 O ATOM 524 CB PRO A 31 3.064 5.101 8.549 1.00 50.00 C ATOM 525 CG PRO A 31 2.385 5.871 9.653 1.00 50.00 C ATOM 526 CD PRO A 31 1.769 7.106 8.997 1.00 50.00 C ATOM 0 HA PRO A 31 2.720 5.286 6.344 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.106 4.036 8.775 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.091 5.436 8.404 1.00 50.00 H new ATOM 0 HG2 PRO A 31 1.619 5.264 10.136 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.100 6.156 10.425 1.00 50.00 H new ATOM 0 HD2 PRO A 31 0.771 7.306 9.386 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.369 7.996 9.185 1.00 50.00 H new ATOM 534 N TYR A 32 1.140 3.491 6.156 1.00 10.00 N ATOM 535 CA TYR A 32 0.299 2.291 5.970 1.00 10.00 C ATOM 536 C TYR A 32 1.140 1.037 6.221 1.00 10.00 C ATOM 537 O TYR A 32 2.363 1.129 6.333 1.00 50.00 O ATOM 538 CB TYR A 32 -0.309 2.281 4.547 1.00 50.00 C ATOM 539 CG TYR A 32 -1.414 3.324 4.338 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.123 4.641 3.985 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.756 2.975 4.507 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.135 5.570 3.805 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.759 3.895 4.328 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.448 5.190 3.978 1.00 50.00 C ATOM 545 OH TYR A 32 -4.462 6.112 3.807 1.00 50.00 O ATOM 0 H TYR A 32 1.822 3.616 5.408 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.524 2.306 6.684 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.485 2.457 3.822 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.714 1.290 4.342 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.094 4.941 3.850 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.009 1.962 4.784 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.896 6.587 3.530 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.790 3.604 4.461 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.327 5.680 3.965 1.00 50.00 H new ATOM 555 N THR A 33 0.476 -0.132 6.332 1.00 10.00 N ATOM 556 CA THR A 33 1.135 -1.410 6.681 1.00 10.00 C ATOM 557 C THR A 33 0.424 -2.600 6.000 1.00 10.00 C ATOM 558 O THR A 33 -0.720 -2.900 6.320 1.00 50.00 O ATOM 559 CB THR A 33 1.148 -1.615 8.242 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.160 -1.329 8.774 1.00 50.00 O ATOM 561 CG2 THR A 33 2.193 -0.728 8.951 1.00 50.00 C ATOM 0 H THR A 33 -0.529 -0.218 6.183 1.00 10.00 H new ATOM 0 HA THR A 33 2.163 -1.368 6.321 1.00 10.00 H new ATOM 0 HB THR A 33 1.423 -2.653 8.429 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.843 -1.735 8.200 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.157 -0.911 10.025 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.188 -0.967 8.575 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.973 0.321 8.754 1.00 50.00 H new ATOM 569 N VAL A 34 1.120 -3.272 5.059 1.00 10.00 N ATOM 570 CA VAL A 34 0.604 -4.457 4.348 1.00 10.00 C ATOM 571 C VAL A 34 0.592 -5.682 5.283 1.00 10.00 C ATOM 572 O VAL A 34 1.562 -5.919 6.005 1.00 50.00 O ATOM 573 CB VAL A 34 1.457 -4.775 3.058 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.987 -6.059 2.343 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.456 -3.580 2.082 1.00 50.00 C ATOM 0 H VAL A 34 2.061 -3.005 4.771 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.416 -4.234 4.034 1.00 10.00 H new ATOM 0 HB VAL A 34 2.479 -4.949 3.395 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.606 -6.233 1.463 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.076 -6.907 3.022 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.053 -5.946 2.038 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.051 -3.828 1.203 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.433 -3.360 1.777 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.883 -2.707 2.575 1.00 50.00 H new ATOM 585 N LEU A 35 -0.527 -6.430 5.271 1.00 10.00 N ATOM 586 CA LEU A 35 -0.675 -7.686 6.040 1.00 10.00 C ATOM 587 C LEU A 35 -0.622 -8.910 5.105 1.00 10.00 C ATOM 588 O LEU A 35 -0.162 -9.983 5.508 1.00 50.00 O ATOM 589 CB LEU A 35 -2.003 -7.689 6.846 1.00 50.00 C ATOM 590 CG LEU A 35 -2.207 -6.506 7.848 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.503 -6.693 8.665 1.00 50.00 C ATOM 592 CD2 LEU A 35 -0.979 -6.313 8.770 1.00 50.00 C ATOM 0 H LEU A 35 -1.355 -6.183 4.729 1.00 10.00 H new ATOM 0 HA LEU A 35 0.157 -7.747 6.741 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.833 -7.686 6.139 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.063 -8.624 7.403 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.309 -5.593 7.261 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.622 -5.857 9.355 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.357 -6.730 7.989 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.446 -7.624 9.229 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.162 -5.481 9.450 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -0.810 -7.223 9.346 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.099 -6.099 8.164 1.00 50.00 H new ATOM 604 N LEU A 36 -1.105 -8.743 3.863 1.00 10.00 N ATOM 605 CA LEU A 36 -1.196 -9.851 2.880 1.00 10.00 C ATOM 606 C LEU A 36 -1.037 -9.274 1.471 1.00 10.00 C ATOM 607 O LEU A 36 -1.226 -8.078 1.281 1.00 50.00 O ATOM 608 CB LEU A 36 -2.568 -10.571 3.032 1.00 50.00 C ATOM 609 CG LEU A 36 -2.851 -11.792 2.088 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.950 -13.004 2.424 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.344 -12.168 2.109 1.00 50.00 C ATOM 0 H LEU A 36 -1.442 -7.848 3.508 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.406 -10.581 3.057 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.656 -10.915 4.063 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.355 -9.833 2.874 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.599 -11.488 1.072 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.179 -13.827 1.747 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.903 -12.722 2.311 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.132 -13.319 3.452 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.515 -13.017 1.447 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.638 -12.435 3.124 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.938 -11.319 1.771 1.00 50.00 H new ATOM 623 N THR A 37 -0.666 -10.107 0.486 1.00 10.00 N ATOM 624 CA THR A 37 -0.613 -9.685 -0.927 1.00 10.00 C ATOM 625 C THR A 37 -1.150 -10.785 -1.858 1.00 10.00 C ATOM 626 O THR A 37 -1.312 -11.944 -1.463 1.00 50.00 O ATOM 627 CB THR A 37 0.836 -9.269 -1.367 1.00 50.00 C ATOM 628 OG1 THR A 37 1.771 -10.293 -1.037 1.00 50.00 O ATOM 629 CG2 THR A 37 1.291 -7.963 -0.713 1.00 50.00 C ATOM 0 H THR A 37 -0.397 -11.079 0.640 1.00 10.00 H new ATOM 0 HA THR A 37 -1.254 -8.807 -1.013 1.00 10.00 H new ATOM 0 HB THR A 37 0.801 -9.120 -2.446 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.669 -10.019 -1.319 1.00 50.00 H new ATOM 0 HG21 THR A 37 2.299 -7.719 -1.050 1.00 50.00 H new ATOM 0 HG22 THR A 37 0.610 -7.159 -0.993 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.289 -8.079 0.371 1.00 50.00 H new ATOM 637 N THR A 38 -1.448 -10.346 -3.086 1.00 10.00 N ATOM 638 CA THR A 38 -1.869 -11.178 -4.228 1.00 10.00 C ATOM 639 C THR A 38 -1.210 -10.591 -5.509 1.00 10.00 C ATOM 640 O THR A 38 -0.685 -9.457 -5.447 1.00 50.00 O ATOM 641 CB THR A 38 -3.442 -11.201 -4.375 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.970 -9.869 -4.343 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.125 -12.040 -3.287 1.00 50.00 C ATOM 0 H THR A 38 -1.401 -9.356 -3.326 1.00 10.00 H new ATOM 0 HA THR A 38 -1.551 -12.208 -4.070 1.00 10.00 H new ATOM 0 HB THR A 38 -3.655 -11.665 -5.338 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.235 -9.228 -4.249 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.205 -12.021 -3.437 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.769 -13.069 -3.344 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.887 -11.627 -2.307 1.00 50.00 H new ATOM 651 N PRO A 39 -1.167 -11.356 -6.668 1.00 10.00 N ATOM 652 CA PRO A 39 -0.601 -10.850 -7.946 1.00 10.00 C ATOM 653 C PRO A 39 -1.140 -9.455 -8.350 1.00 10.00 C ATOM 654 O PRO A 39 -2.319 -9.311 -8.679 1.00 50.00 O ATOM 655 CB PRO A 39 -1.025 -11.938 -8.972 1.00 50.00 C ATOM 656 CG PRO A 39 -1.084 -13.203 -8.168 1.00 50.00 C ATOM 657 CD PRO A 39 -1.610 -12.786 -6.806 1.00 50.00 C ATOM 0 HA PRO A 39 0.477 -10.700 -7.880 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.991 -11.707 -9.421 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.306 -12.018 -9.787 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -1.741 -13.936 -8.636 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -0.099 -13.663 -8.086 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.695 -12.875 -6.753 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.200 -13.409 -6.012 1.00 50.00 H new ATOM 665 N THR A 40 -0.254 -8.439 -8.222 1.00 10.00 N ATOM 666 CA THR A 40 -0.489 -7.039 -8.637 1.00 10.00 C ATOM 667 C THR A 40 -1.631 -6.346 -7.820 1.00 10.00 C ATOM 668 O THR A 40 -2.206 -5.330 -8.250 1.00 50.00 O ATOM 669 CB THR A 40 -0.719 -6.935 -10.198 1.00 50.00 C ATOM 670 OG1 THR A 40 0.161 -7.853 -10.884 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.445 -5.521 -10.739 1.00 50.00 C ATOM 0 H THR A 40 0.671 -8.577 -7.815 1.00 10.00 H new ATOM 0 HA THR A 40 0.419 -6.483 -8.403 1.00 10.00 H new ATOM 0 HB THR A 40 -1.766 -7.180 -10.378 1.00 50.00 H new ATOM 0 HG1 THR A 40 0.014 -7.787 -11.851 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.617 -5.503 -11.815 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.113 -4.810 -10.253 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.590 -5.247 -10.533 1.00 50.00 H new ATOM 679 N ALA A 41 -1.921 -6.871 -6.614 1.00 10.00 N ATOM 680 CA ALA A 41 -2.843 -6.231 -5.652 1.00 10.00 C ATOM 681 C ALA A 41 -2.374 -6.539 -4.226 1.00 10.00 C ATOM 682 O ALA A 41 -2.271 -7.698 -3.837 1.00 50.00 O ATOM 683 CB ALA A 41 -4.288 -6.704 -5.867 1.00 50.00 C ATOM 0 H ALA A 41 -1.524 -7.749 -6.278 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.830 -5.153 -5.812 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.942 -6.216 -5.145 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.608 -6.448 -6.877 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.341 -7.784 -5.732 1.00 50.00 H new ATOM 689 N LEU A 42 -2.104 -5.489 -3.450 1.00 10.00 N ATOM 690 CA LEU A 42 -1.497 -5.581 -2.124 1.00 10.00 C ATOM 691 C LEU A 42 -2.574 -5.294 -1.067 1.00 10.00 C ATOM 692 O LEU A 42 -3.229 -4.239 -1.117 1.00 50.00 O ATOM 693 CB LEU A 42 -0.325 -4.555 -2.040 1.00 50.00 C ATOM 694 CG LEU A 42 0.664 -4.555 -3.262 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.823 -3.571 -3.062 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.189 -5.968 -3.606 1.00 50.00 C ATOM 0 H LEU A 42 -2.306 -4.530 -3.733 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.096 -6.578 -1.942 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.747 -3.555 -1.937 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.246 -4.755 -1.133 1.00 50.00 H new ATOM 0 HG LEU A 42 0.081 -4.215 -4.118 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.482 -3.604 -3.930 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.428 -2.562 -2.944 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.385 -3.847 -2.170 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.867 -5.907 -4.457 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.721 -6.378 -2.747 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.350 -6.617 -3.857 1.00 50.00 H new ATOM 708 N LYS A 43 -2.788 -6.236 -0.124 1.00 10.00 N ATOM 709 CA LYS A 43 -3.753 -6.050 0.973 1.00 10.00 C ATOM 710 C LYS A 43 -3.063 -5.332 2.141 1.00 10.00 C ATOM 711 O LYS A 43 -2.254 -5.930 2.882 1.00 50.00 O ATOM 712 CB LYS A 43 -4.345 -7.401 1.459 1.00 50.00 C ATOM 713 CG LYS A 43 -5.326 -7.262 2.644 1.00 50.00 C ATOM 714 CD LYS A 43 -5.913 -8.612 3.098 1.00 50.00 C ATOM 715 CE LYS A 43 -7.064 -8.441 4.097 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.218 -7.727 3.482 1.00 75.00 N ATOM 0 H LYS A 43 -2.303 -7.133 -0.103 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.579 -5.447 0.597 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.860 -7.881 0.627 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.528 -8.061 1.751 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -4.810 -6.795 3.483 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.140 -6.595 2.359 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.270 -9.162 2.227 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.126 -9.213 3.554 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.387 -9.419 4.452 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.713 -7.886 4.967 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.353 -6.812 3.957 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.030 -7.569 2.472 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -9.078 -8.302 3.588 1.00 75.00 H new ATOM 730 N VAL A 44 -3.428 -4.056 2.295 1.00 10.00 N ATOM 731 CA VAL A 44 -2.956 -3.177 3.362 1.00 10.00 C ATOM 732 C VAL A 44 -3.991 -3.172 4.510 1.00 10.00 C ATOM 733 O VAL A 44 -5.177 -3.454 4.283 1.00 50.00 O ATOM 734 CB VAL A 44 -2.729 -1.717 2.800 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.162 -0.769 3.876 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.831 -1.728 1.530 1.00 50.00 C ATOM 0 H VAL A 44 -4.080 -3.595 1.660 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.004 -3.542 3.747 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.707 -1.332 2.511 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.021 0.224 3.448 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.859 -0.708 4.712 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.204 -1.151 4.230 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.696 -0.708 1.171 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.860 -2.158 1.775 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.307 -2.326 0.753 1.00 50.00 H new ATOM 746 N ASP A 45 -3.534 -2.876 5.734 1.00 10.00 N ATOM 747 CA ASP A 45 -4.402 -2.767 6.902 1.00 10.00 C ATOM 748 C ASP A 45 -5.273 -1.507 6.778 1.00 10.00 C ATOM 749 O ASP A 45 -4.779 -0.440 6.385 1.00 50.00 O ATOM 750 CB ASP A 45 -3.569 -2.726 8.203 1.00 50.00 C ATOM 751 CG ASP A 45 -4.453 -2.743 9.464 1.00 50.00 C ATOM 752 OD1 ASP A 45 -4.982 -3.822 9.807 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.644 -1.685 10.100 1.00 50.00 O ATOM 0 H ASP A 45 -2.549 -2.706 5.937 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.047 -3.645 6.947 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -2.892 -3.580 8.225 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.951 -1.828 8.208 1.00 50.00 H new ATOM 758 N GLY A 46 -6.569 -1.660 7.083 1.00 10.00 N ATOM 759 CA GLY A 46 -7.544 -0.580 6.963 1.00 10.00 C ATOM 760 C GLY A 46 -8.244 -0.565 5.612 1.00 10.00 C ATOM 761 O GLY A 46 -9.131 0.262 5.391 1.00 50.00 O ATOM 0 H GLY A 46 -6.966 -2.538 7.419 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.289 -0.680 7.752 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.042 0.375 7.118 1.00 10.00 H new ATOM 765 N ILE A 47 -7.833 -1.467 4.701 1.00 10.00 N ATOM 766 CA ILE A 47 -8.441 -1.597 3.361 1.00 10.00 C ATOM 767 C ILE A 47 -9.563 -2.654 3.393 1.00 10.00 C ATOM 768 O ILE A 47 -9.474 -3.629 4.156 1.00 50.00 O ATOM 769 CB ILE A 47 -7.356 -1.978 2.282 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.228 -0.900 2.242 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.969 -2.196 0.870 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.688 0.506 1.907 1.00 50.00 C ATOM 0 H ILE A 47 -7.072 -2.125 4.871 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.868 -0.634 3.081 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.923 -2.932 2.583 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.732 -0.881 3.212 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.482 -1.205 1.508 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -7.178 -2.456 0.166 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.699 -3.005 0.911 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.461 -1.280 0.541 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.830 1.179 1.905 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.156 0.511 0.922 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.409 0.840 2.653 1.00 50.00 H new ATOM 784 N ALA A 48 -10.608 -2.436 2.553 1.00 10.00 N ATOM 785 CA ALA A 48 -11.770 -3.335 2.416 1.00 10.00 C ATOM 786 C ALA A 48 -11.332 -4.769 2.062 1.00 10.00 C ATOM 787 O ALA A 48 -11.760 -5.729 2.713 1.00 50.00 O ATOM 788 CB ALA A 48 -12.751 -2.784 1.359 1.00 50.00 C ATOM 0 H ALA A 48 -10.662 -1.618 1.946 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.281 -3.376 3.378 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.604 -3.457 1.268 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -13.099 -1.797 1.665 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.244 -2.708 0.397 1.00 50.00 H new ATOM 794 N ALA A 49 -10.461 -4.905 1.038 1.00 10.00 N ATOM 795 CA ALA A 49 -9.903 -6.212 0.653 1.00 10.00 C ATOM 796 C ALA A 49 -8.495 -6.080 0.045 1.00 10.00 C ATOM 797 O ALA A 49 -7.546 -6.649 0.577 1.00 50.00 O ATOM 798 CB ALA A 49 -10.863 -6.918 -0.323 1.00 50.00 C ATOM 0 H ALA A 49 -10.132 -4.126 0.467 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.800 -6.817 1.554 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.448 -7.885 -0.606 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.829 -7.065 0.160 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.993 -6.304 -1.214 1.00 50.00 H new ATOM 804 N TRP A 50 -8.364 -5.326 -1.067 1.00 10.00 N ATOM 805 CA TRP A 50 -7.058 -5.101 -1.756 1.00 10.00 C ATOM 806 C TRP A 50 -6.982 -3.690 -2.353 1.00 10.00 C ATOM 807 O TRP A 50 -8.007 -3.029 -2.567 1.00 50.00 O ATOM 808 CB TRP A 50 -6.800 -6.152 -2.879 1.00 50.00 C ATOM 809 CG TRP A 50 -6.513 -7.551 -2.378 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.318 -8.041 -1.927 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.443 -8.642 -2.297 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.457 -9.351 -1.544 1.00 50.00 N ATOM 813 CE2 TRP A 50 -6.752 -9.746 -1.769 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.796 -8.780 -2.614 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.368 -10.973 -1.549 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.408 -9.996 -2.398 1.00 50.00 C ATOM 817 CH2 TRP A 50 -8.695 -11.078 -1.871 1.00 50.00 C ATOM 0 H TRP A 50 -9.149 -4.855 -1.516 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.285 -5.213 -0.996 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.671 -6.186 -3.534 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.958 -5.817 -3.485 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.398 -7.478 -1.879 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -4.718 -9.936 -1.155 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.353 -7.949 -3.021 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -6.822 -11.810 -1.140 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.454 -10.115 -2.639 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.203 -12.018 -1.714 1.00 50.00 H new ATOM 828 N ILE A 51 -5.743 -3.238 -2.585 1.00 10.00 N ATOM 829 CA ILE A 51 -5.425 -2.036 -3.376 1.00 10.00 C ATOM 830 C ILE A 51 -4.468 -2.461 -4.504 1.00 10.00 C ATOM 831 O ILE A 51 -3.500 -3.168 -4.236 1.00 50.00 O ATOM 832 CB ILE A 51 -4.764 -0.917 -2.477 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.800 -0.309 -1.484 1.00 50.00 C ATOM 834 CG2 ILE A 51 -4.112 0.194 -3.322 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.975 0.405 -2.137 1.00 50.00 C ATOM 0 H ILE A 51 -4.913 -3.706 -2.221 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.339 -1.610 -3.789 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.974 -1.400 -1.902 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -6.186 -1.108 -0.851 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -5.285 0.395 -0.830 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.671 0.941 -2.662 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -3.335 -0.237 -3.953 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.869 0.665 -3.949 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -7.640 0.793 -1.365 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.606 1.230 -2.747 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.522 -0.296 -2.768 1.00 50.00 H new ATOM 847 N HIS A 52 -4.731 -2.009 -5.751 1.00 10.00 N ATOM 848 CA HIS A 52 -3.920 -2.389 -6.928 1.00 10.00 C ATOM 849 C HIS A 52 -2.484 -1.843 -6.726 1.00 10.00 C ATOM 850 O HIS A 52 -2.322 -0.732 -6.212 1.00 50.00 O ATOM 851 CB HIS A 52 -4.560 -1.832 -8.228 1.00 50.00 C ATOM 852 CG HIS A 52 -4.036 -2.426 -9.514 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.846 -2.057 -10.105 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.583 -3.352 -10.336 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.707 -2.715 -11.237 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.737 -3.510 -11.389 1.00 50.00 N ATOM 0 H HIS A 52 -5.502 -1.378 -5.968 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.882 -3.474 -7.027 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.636 -1.998 -8.183 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.405 -0.753 -8.256 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.519 -3.870 -10.184 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.881 -2.616 -11.926 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.882 -4.147 -12.173 1.00 50.00 H new ATOM 865 N ALA A 53 -1.479 -2.633 -7.154 1.00 10.00 N ATOM 866 CA ALA A 53 -0.063 -2.508 -6.723 1.00 10.00 C ATOM 867 C ALA A 53 0.560 -1.110 -6.921 1.00 10.00 C ATOM 868 O ALA A 53 1.337 -0.668 -6.074 1.00 50.00 O ATOM 869 CB ALA A 53 0.791 -3.584 -7.416 1.00 50.00 C ATOM 0 H ALA A 53 -1.626 -3.391 -7.821 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.070 -2.660 -5.644 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.828 -3.487 -7.096 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.419 -4.573 -7.147 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.731 -3.456 -8.497 1.00 50.00 H new ATOM 875 N ALA A 54 0.204 -0.415 -8.017 1.00 10.00 N ATOM 876 CA ALA A 54 0.810 0.905 -8.357 1.00 10.00 C ATOM 877 C ALA A 54 0.181 2.064 -7.553 1.00 10.00 C ATOM 878 O ALA A 54 0.547 3.232 -7.733 1.00 50.00 O ATOM 879 CB ALA A 54 0.739 1.168 -9.874 1.00 50.00 C ATOM 0 H ALA A 54 -0.496 -0.736 -8.686 1.00 10.00 H new ATOM 0 HA ALA A 54 1.860 0.861 -8.069 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.187 2.136 -10.097 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.282 0.386 -10.405 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.303 1.168 -10.195 1.00 50.00 H new ATOM 885 N HIS A 55 -0.773 1.738 -6.667 1.00 10.00 N ATOM 886 CA HIS A 55 -1.300 2.686 -5.669 1.00 10.00 C ATOM 887 C HIS A 55 -0.628 2.438 -4.309 1.00 10.00 C ATOM 888 O HIS A 55 -1.104 2.929 -3.294 1.00 50.00 O ATOM 889 CB HIS A 55 -2.837 2.557 -5.511 1.00 50.00 C ATOM 890 CG HIS A 55 -3.630 2.817 -6.743 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.655 4.037 -7.367 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.444 2.010 -7.464 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.450 3.971 -8.409 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.935 2.753 -8.495 1.00 50.00 N ATOM 0 H HIS A 55 -1.201 0.813 -6.621 1.00 10.00 H new ATOM 0 HA HIS A 55 -1.077 3.693 -6.020 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -3.066 1.551 -5.158 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -3.165 3.249 -4.736 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -3.138 4.864 -7.069 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.663 0.972 -7.260 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.670 4.784 -9.085 1.00 50.00 H new ATOM 903 N VAL A 56 0.455 1.639 -4.295 1.00 10.00 N ATOM 904 CA VAL A 56 1.253 1.360 -3.082 1.00 10.00 C ATOM 905 C VAL A 56 2.752 1.369 -3.462 1.00 10.00 C ATOM 906 O VAL A 56 3.128 0.890 -4.537 1.00 50.00 O ATOM 907 CB VAL A 56 0.874 -0.031 -2.420 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.742 -0.331 -1.173 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.631 -0.111 -2.052 1.00 50.00 C ATOM 0 H VAL A 56 0.805 1.165 -5.128 1.00 10.00 H new ATOM 0 HA VAL A 56 1.037 2.134 -2.346 1.00 10.00 H new ATOM 0 HB VAL A 56 1.080 -0.792 -3.173 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.451 -1.292 -0.750 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.793 -0.365 -1.461 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.594 0.453 -0.430 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.844 -1.081 -1.602 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.875 0.680 -1.343 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -1.233 0.011 -2.953 1.00 50.00 H new ATOM 919 N LYS A 57 3.596 1.928 -2.582 1.00 10.00 N ATOM 920 CA LYS A 57 5.061 1.873 -2.714 1.00 10.00 C ATOM 921 C LYS A 57 5.666 1.598 -1.331 1.00 10.00 C ATOM 922 O LYS A 57 5.068 1.955 -0.317 1.00 50.00 O ATOM 923 CB LYS A 57 5.630 3.201 -3.292 1.00 50.00 C ATOM 924 CG LYS A 57 7.157 3.160 -3.580 1.00 50.00 C ATOM 925 CD LYS A 57 7.748 4.520 -4.018 1.00 50.00 C ATOM 926 CE LYS A 57 7.656 5.601 -2.924 1.00 50.00 C ATOM 927 NZ LYS A 57 8.273 6.883 -3.362 1.00 75.00 N ATOM 0 H LYS A 57 3.281 2.434 -1.754 1.00 10.00 H new ATOM 0 HA LYS A 57 5.325 1.075 -3.409 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.102 3.439 -4.216 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.424 4.009 -2.590 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.677 2.820 -2.684 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.350 2.423 -4.359 1.00 50.00 H new ATOM 0 HD2 LYS A 57 8.793 4.382 -4.297 1.00 50.00 H new ATOM 0 HD3 LYS A 57 7.224 4.867 -4.908 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.610 5.770 -2.667 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.154 5.248 -2.021 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.192 7.586 -2.600 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 9.277 6.727 -3.584 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.782 7.233 -4.209 1.00 75.00 H new ATOM 941 N ALA A 58 6.844 0.963 -1.307 1.00 10.00 N ATOM 942 CA ALA A 58 7.599 0.696 -0.078 1.00 10.00 C ATOM 943 C ALA A 58 7.987 2.016 0.627 1.00 10.00 C ATOM 944 O ALA A 58 8.551 2.916 -0.002 1.00 50.00 O ATOM 945 CB ALA A 58 8.857 -0.128 -0.406 1.00 50.00 C ATOM 0 H ALA A 58 7.304 0.617 -2.149 1.00 10.00 H new ATOM 0 HA ALA A 58 6.967 0.124 0.601 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.413 -0.323 0.511 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.564 -1.074 -0.861 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.486 0.429 -1.101 1.00 50.00 H new ATOM 951 N ALA A 59 7.646 2.134 1.923 1.00 10.00 N ATOM 952 CA ALA A 59 8.054 3.277 2.757 1.00 10.00 C ATOM 953 C ALA A 59 9.226 2.853 3.632 1.00 10.00 C ATOM 954 O ALA A 59 9.251 1.717 4.113 1.00 50.00 O ATOM 955 CB ALA A 59 6.885 3.753 3.626 1.00 50.00 C ATOM 0 H ALA A 59 7.083 1.443 2.419 1.00 10.00 H new ATOM 0 HA ALA A 59 8.355 4.106 2.116 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.205 4.598 4.235 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.057 4.060 2.986 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.560 2.940 4.275 1.00 50.00 H new ATOM 961 N ASP A 60 10.173 3.772 3.850 1.00 10.00 N ATOM 962 CA ASP A 60 11.344 3.531 4.718 1.00 10.00 C ATOM 963 C ASP A 60 10.896 3.635 6.197 1.00 50.00 C ATOM 964 O ASP A 60 10.493 4.720 6.628 1.00 50.00 O ATOM 965 CB ASP A 60 12.459 4.571 4.392 1.00 50.00 C ATOM 966 CG ASP A 60 13.824 4.344 5.088 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.000 3.350 5.835 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.736 5.179 4.887 1.00 75.00 O ATOM 0 H ASP A 60 10.155 4.703 3.434 1.00 10.00 H new ATOM 0 HA ASP A 60 11.751 2.535 4.542 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.620 4.576 3.314 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.095 5.562 4.664 1.00 50.00 H new ATOM 973 N PRO A 61 10.888 2.504 6.983 1.00 50.00 N ATOM 974 CA PRO A 61 10.510 2.533 8.420 1.00 50.00 C ATOM 975 C PRO A 61 11.698 2.913 9.330 1.00 50.00 C ATOM 976 O PRO A 61 11.538 3.026 10.552 1.00 75.00 O ATOM 977 CB PRO A 61 10.055 1.077 8.669 1.00 75.00 C ATOM 978 CG PRO A 61 10.934 0.246 7.769 1.00 75.00 C ATOM 979 CD PRO A 61 11.224 1.108 6.541 1.00 50.00 C ATOM 0 HA PRO A 61 9.749 3.280 8.646 1.00 50.00 H new ATOM 0 HB2 PRO A 61 10.180 0.796 9.715 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.001 0.944 8.427 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.858 -0.032 8.276 1.00 75.00 H new ATOM 0 HG3 PRO A 61 10.435 -0.680 7.485 1.00 75.00 H new ATOM 0 HD2 PRO A 61 12.267 1.027 6.235 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.617 0.803 5.688 1.00 50.00 H new ATOM 987 N GLY A 62 12.895 3.065 8.712 1.00 50.00 N ATOM 988 CA GLY A 62 14.141 3.320 9.433 1.00 50.00 C ATOM 989 C GLY A 62 14.675 2.085 10.149 1.00 75.00 C ATOM 990 O GLY A 62 15.633 2.185 10.927 1.00 75.00 O ATOM 0 H GLY A 62 13.011 3.012 7.700 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.893 3.681 8.732 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.977 4.114 10.162 1.00 50.00 H new ATOM 994 N GLY A 63 14.043 0.913 9.888 1.00 75.00 N ATOM 995 CA GLY A 63 14.318 -0.320 10.627 1.00 75.00 C ATOM 996 C GLY A 63 13.580 -0.387 11.964 1.00 75.00 C ATOM 997 O GLY A 63 13.611 -1.427 12.634 1.00 75.00 O ATOM 0 H GLY A 63 13.335 0.808 9.162 1.00 75.00 H new ATOM 0 HA2 GLY A 63 14.032 -1.176 10.016 1.00 75.00 H new ATOM 0 HA3 GLY A 63 15.390 -0.400 10.805 1.00 75.00 H new ATOM 1001 N GLY A 64 12.887 0.710 12.333 1.00 75.00 N ATOM 1002 CA GLY A 64 12.180 0.815 13.605 1.00 75.00 C ATOM 1003 C GLY A 64 10.919 1.667 13.466 1.00 75.00 C ATOM 1004 O GLY A 64 10.945 2.855 13.813 1.00 75.00 O ATOM 0 H GLY A 64 12.808 1.543 11.750 1.00 75.00 H new ATOM 0 HA2 GLY A 64 11.912 -0.181 13.959 1.00 75.00 H new ATOM 0 HA3 GLY A 64 12.838 1.254 14.355 1.00 75.00 H new ATOM 1008 N PRO A 65 9.790 1.074 12.921 1.00 75.00 N ATOM 1009 CA PRO A 65 8.457 1.751 12.807 1.00 75.00 C ATOM 1010 C PRO A 65 7.898 2.247 14.161 1.00 75.00 C ATOM 1011 O PRO A 65 6.996 3.088 14.174 1.00 75.00 O ATOM 1012 CB PRO A 65 7.534 0.643 12.203 1.00 75.00 C ATOM 1013 CG PRO A 65 8.275 -0.643 12.426 1.00 75.00 C ATOM 1014 CD PRO A 65 9.737 -0.294 12.330 1.00 75.00 C ATOM 0 HA PRO A 65 8.524 2.653 12.199 1.00 75.00 H new ATOM 0 HB2 PRO A 65 6.561 0.628 12.694 1.00 75.00 H new ATOM 0 HB3 PRO A 65 7.353 0.815 11.142 1.00 75.00 H new ATOM 0 HG2 PRO A 65 8.037 -1.068 13.401 1.00 75.00 H new ATOM 0 HG3 PRO A 65 8.000 -1.388 11.679 1.00 75.00 H new ATOM 0 HD2 PRO A 65 10.358 -0.998 12.884 1.00 75.00 H new ATOM 0 HD3 PRO A 65 10.088 -0.303 11.298 1.00 75.00 H new ATOM 1022 N SER A 66 8.418 1.665 15.278 1.00 75.00 N ATOM 1023 CA SER A 66 8.061 2.047 16.664 1.00 75.00 C ATOM 1024 C SER A 66 6.568 1.773 16.963 1.00 75.00 C ATOM 1025 O SER A 66 5.956 2.446 17.799 1.00 75.00 O ATOM 1026 CB SER A 66 8.454 3.529 16.930 1.00 75.00 C ATOM 1027 OG SER A 66 9.824 3.744 16.641 1.00 75.00 O ATOM 0 H SER A 66 9.103 0.911 15.235 1.00 75.00 H new ATOM 0 HA SER A 66 8.630 1.423 17.353 1.00 75.00 H new ATOM 0 HB2 SER A 66 7.840 4.189 16.317 1.00 75.00 H new ATOM 0 HB3 SER A 66 8.253 3.782 17.971 1.00 75.00 H new ATOM 0 HG SER A 66 10.051 4.682 16.813 1.00 75.00 H new ATOM 1033 N SER A 67 6.013 0.741 16.305 1.00 75.00 N ATOM 1034 CA SER A 67 4.581 0.404 16.383 1.00 75.00 C ATOM 1035 C SER A 67 4.392 -1.112 16.448 1.00 75.00 C ATOM 1036 O SER A 67 5.291 -1.873 16.070 1.00 75.00 O ATOM 1037 CB SER A 67 3.844 0.992 15.153 1.00 75.00 C ATOM 1038 OG SER A 67 2.443 0.769 15.239 1.00 75.00 O ATOM 0 H SER A 67 6.547 0.115 15.702 1.00 75.00 H new ATOM 0 HA SER A 67 4.160 0.837 17.291 1.00 75.00 H new ATOM 0 HB2 SER A 67 4.041 2.062 15.085 1.00 75.00 H new ATOM 0 HB3 SER A 67 4.232 0.537 14.241 1.00 75.00 H new ATOM 0 HG SER A 67 2.002 1.151 14.452 1.00 75.00 H new ATOM 1044 N ARG A 68 3.211 -1.540 16.938 1.00 75.00 N ATOM 1045 CA ARG A 68 2.824 -2.955 16.977 1.00 75.00 C ATOM 1046 C ARG A 68 2.586 -3.459 15.553 1.00 75.00 C ATOM 1047 O ARG A 68 1.590 -3.106 14.933 1.00 75.00 O ATOM 1048 CB ARG A 68 1.546 -3.159 17.836 1.00 75.00 C ATOM 1049 CG ARG A 68 1.709 -2.786 19.319 1.00 75.00 C ATOM 1050 CD ARG A 68 2.788 -3.629 20.020 1.00 75.00 C ATOM 1051 NE ARG A 68 3.009 -3.200 21.406 1.00 75.00 N ATOM 1052 CZ ARG A 68 3.561 -3.957 22.365 1.00 75.00 C ATOM 1053 NH1 ARG A 68 3.954 -5.209 22.117 1.00 75.00 N ATOM 1054 NH2 ARG A 68 3.732 -3.448 23.572 1.00 75.00 N ATOM 0 H ARG A 68 2.503 -0.911 17.316 1.00 75.00 H new ATOM 0 HA ARG A 68 3.633 -3.525 17.435 1.00 75.00 H new ATOM 0 HB2 ARG A 68 0.739 -2.563 17.411 1.00 75.00 H new ATOM 0 HB3 ARG A 68 1.241 -4.203 17.768 1.00 75.00 H new ATOM 0 HG2 ARG A 68 1.968 -1.730 19.399 1.00 75.00 H new ATOM 0 HG3 ARG A 68 0.757 -2.921 19.832 1.00 75.00 H new ATOM 0 HD2 ARG A 68 2.492 -4.678 20.008 1.00 75.00 H new ATOM 0 HD3 ARG A 68 3.723 -3.555 19.465 1.00 75.00 H new ATOM 0 HE ARG A 68 2.721 -2.255 21.659 1.00 75.00 H new ATOM 0 HH11 ARG A 68 3.836 -5.605 21.185 1.00 75.00 H new ATOM 0 HH12 ARG A 68 4.372 -5.769 22.860 1.00 75.00 H new ATOM 0 HH21 ARG A 68 3.445 -2.489 23.766 1.00 75.00 H new ATOM 0 HH22 ARG A 68 4.151 -4.014 24.310 1.00 75.00 H new ATOM 1068 N LEU A 69 3.568 -4.203 15.027 1.00 75.00 N ATOM 1069 CA LEU A 69 3.502 -4.873 13.709 1.00 75.00 C ATOM 1070 C LEU A 69 3.864 -6.366 13.852 1.00 75.00 C ATOM 1071 O LEU A 69 3.637 -7.155 12.927 1.00 75.00 O ATOM 1072 CB LEU A 69 4.465 -4.182 12.702 1.00 75.00 C ATOM 1073 CG LEU A 69 4.228 -2.654 12.462 1.00 75.00 C ATOM 1074 CD1 LEU A 69 5.217 -2.098 11.433 1.00 75.00 C ATOM 1075 CD2 LEU A 69 2.769 -2.368 12.047 1.00 75.00 C ATOM 0 H LEU A 69 4.451 -4.363 15.511 1.00 75.00 H new ATOM 0 HA LEU A 69 2.484 -4.793 13.328 1.00 75.00 H new ATOM 0 HB2 LEU A 69 5.487 -4.320 13.055 1.00 75.00 H new ATOM 0 HB3 LEU A 69 4.387 -4.696 11.744 1.00 75.00 H new ATOM 0 HG LEU A 69 4.406 -2.140 13.407 1.00 75.00 H new ATOM 0 HD11 LEU A 69 5.029 -1.034 11.286 1.00 75.00 H new ATOM 0 HD12 LEU A 69 6.236 -2.240 11.794 1.00 75.00 H new ATOM 0 HD13 LEU A 69 5.091 -2.623 10.486 1.00 75.00 H new ATOM 0 HD21 LEU A 69 2.639 -1.297 11.888 1.00 75.00 H new ATOM 0 HD22 LEU A 69 2.542 -2.902 11.124 1.00 75.00 H new ATOM 0 HD23 LEU A 69 2.094 -2.702 12.835 1.00 75.00 H new ATOM 1087 N THR A 70 4.443 -6.730 15.016 1.00 75.00 N ATOM 1088 CA THR A 70 4.855 -8.101 15.318 1.00 75.00 C ATOM 1089 C THR A 70 3.632 -8.933 15.751 1.00 75.00 C ATOM 1090 O THR A 70 3.270 -8.995 16.934 1.00 75.00 O ATOM 1091 CB THR A 70 5.971 -8.129 16.410 1.00 75.00 C ATOM 1092 OG1 THR A 70 7.080 -7.319 15.978 1.00 75.00 O ATOM 1093 CG2 THR A 70 6.475 -9.560 16.701 1.00 75.00 C ATOM 0 H THR A 70 4.635 -6.071 15.771 1.00 75.00 H new ATOM 0 HA THR A 70 5.276 -8.544 14.415 1.00 75.00 H new ATOM 0 HB THR A 70 5.538 -7.737 17.330 1.00 75.00 H new ATOM 0 HG1 THR A 70 7.782 -7.333 16.662 1.00 75.00 H new ATOM 0 HG21 THR A 70 7.250 -9.524 17.467 1.00 75.00 H new ATOM 0 HG22 THR A 70 5.645 -10.174 17.052 1.00 75.00 H new ATOM 0 HG23 THR A 70 6.886 -9.993 15.789 1.00 75.00 H new ATOM 1101 N TRP A 71 2.963 -9.499 14.750 1.00 75.00 N ATOM 1102 CA TRP A 71 1.878 -10.464 14.922 1.00 75.00 C ATOM 1103 C TRP A 71 2.083 -11.609 13.932 1.00 75.00 C ATOM 1104 O TRP A 71 2.549 -11.393 12.813 1.00 75.00 O ATOM 1105 CB TRP A 71 0.485 -9.790 14.751 1.00 75.00 C ATOM 1106 CG TRP A 71 0.394 -8.740 13.654 1.00 75.00 C ATOM 1107 CD1 TRP A 71 0.625 -8.909 12.320 1.00 75.00 C ATOM 1108 CD2 TRP A 71 0.034 -7.365 13.813 1.00 75.00 C ATOM 1109 NE1 TRP A 71 0.446 -7.728 11.648 1.00 75.00 N ATOM 1110 CE2 TRP A 71 0.073 -6.767 12.538 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -0.321 -6.586 14.909 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -0.225 -5.429 12.331 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -0.619 -5.261 14.708 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -0.574 -4.694 13.425 1.00 75.00 C ATOM 0 H TRP A 71 3.165 -9.295 13.771 1.00 75.00 H new ATOM 0 HA TRP A 71 1.899 -10.862 15.937 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -0.252 -10.567 14.548 1.00 75.00 H new ATOM 0 HB3 TRP A 71 0.207 -9.326 15.697 1.00 75.00 H new ATOM 0 HD1 TRP A 71 0.909 -9.843 11.858 1.00 75.00 H new ATOM 0 HE1 TRP A 71 0.572 -7.591 10.645 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -0.361 -7.015 15.899 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -0.183 -4.988 11.346 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -0.893 -4.645 15.552 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -0.822 -3.650 13.301 1.00 75.00 H new ATOM 1125 N ARG A 72 1.733 -12.823 14.353 1.00 75.00 N ATOM 1126 CA ARG A 72 1.910 -14.040 13.544 1.00 75.00 C ATOM 1127 C ARG A 72 0.624 -14.364 12.750 1.00 75.00 C ATOM 1128 O ARG A 72 0.190 -15.519 12.673 1.00 75.00 O ATOM 1129 CB ARG A 72 2.358 -15.215 14.461 1.00 75.00 C ATOM 1130 CG ARG A 72 1.406 -15.570 15.627 1.00 75.00 C ATOM 1131 CD ARG A 72 1.952 -16.716 16.493 1.00 75.00 C ATOM 1132 NE ARG A 72 1.029 -17.107 17.568 1.00 75.00 N ATOM 1133 CZ ARG A 72 1.334 -17.950 18.565 1.00 75.00 C ATOM 1134 NH1 ARG A 72 2.542 -18.500 18.660 1.00 75.00 N ATOM 1135 NH2 ARG A 72 0.425 -18.241 19.472 1.00 75.00 N ATOM 0 H ARG A 72 1.316 -12.997 15.268 1.00 75.00 H new ATOM 0 HA ARG A 72 2.695 -13.877 12.805 1.00 75.00 H new ATOM 0 HB2 ARG A 72 2.488 -16.103 13.842 1.00 75.00 H new ATOM 0 HB3 ARG A 72 3.335 -14.971 14.878 1.00 75.00 H new ATOM 0 HG2 ARG A 72 1.252 -14.688 16.249 1.00 75.00 H new ATOM 0 HG3 ARG A 72 0.432 -15.852 15.226 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.152 -17.580 15.860 1.00 75.00 H new ATOM 0 HD3 ARG A 72 2.904 -16.414 16.930 1.00 75.00 H new ATOM 0 HE ARG A 72 0.090 -16.709 17.555 1.00 75.00 H new ATOM 0 HH11 ARG A 72 3.257 -18.283 17.966 1.00 75.00 H new ATOM 0 HH12 ARG A 72 2.753 -19.139 19.427 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -0.505 -17.826 19.414 1.00 75.00 H new ATOM 0 HH22 ARG A 72 0.651 -18.882 20.233 1.00 75.00 H new ATOM 1149 N VAL A 73 0.046 -13.314 12.126 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.112 -13.445 11.226 1.00 75.00 C ATOM 1151 C VAL A 73 -0.728 -14.331 10.023 1.00 75.00 C ATOM 1152 O VAL A 73 -1.284 -15.424 9.840 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.625 -12.029 10.753 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.739 -12.141 9.677 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.102 -11.188 11.966 1.00 50.00 C ATOM 0 H VAL A 73 0.372 -12.354 12.235 1.00 75.00 H new ATOM 0 HA VAL A 73 -1.931 -13.920 11.766 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.784 -11.516 10.286 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.061 -11.143 9.382 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.352 -12.670 8.806 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.587 -12.689 10.087 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.452 -10.216 11.620 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -2.916 -11.708 12.471 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.274 -11.049 12.661 1.00 50.00 H new ATOM 1165 N GLN A 74 0.261 -13.864 9.242 1.00 75.00 N ATOM 1166 CA GLN A 74 0.872 -14.663 8.176 1.00 75.00 C ATOM 1167 C GLN A 74 1.948 -15.576 8.805 1.00 75.00 C ATOM 1168 O GLN A 74 3.143 -15.242 8.852 1.00 75.00 O ATOM 1169 CB GLN A 74 1.454 -13.757 7.050 1.00 75.00 C ATOM 1170 CG GLN A 74 2.152 -14.527 5.908 1.00 75.00 C ATOM 1171 CD GLN A 74 1.253 -15.491 5.137 1.00 75.00 C ATOM 1172 OE1 GLN A 74 0.055 -15.256 4.955 1.00 75.00 O ATOM 1173 NE2 GLN A 74 1.829 -16.600 4.683 1.00 75.00 N ATOM 0 H GLN A 74 0.655 -12.927 9.334 1.00 75.00 H new ATOM 0 HA GLN A 74 0.114 -15.284 7.698 1.00 75.00 H new ATOM 0 HB2 GLN A 74 0.646 -13.159 6.628 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.168 -13.062 7.492 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.572 -13.806 5.207 1.00 75.00 H new ATOM 0 HG3 GLN A 74 2.988 -15.088 6.326 1.00 75.00 H new ATOM 0 HE21 GLN A 74 2.822 -16.764 4.850 1.00 75.00 H new ATOM 0 HE22 GLN A 74 1.278 -17.286 4.167 1.00 75.00 H new ATOM 1182 N ARG A 75 1.477 -16.692 9.373 1.00 75.00 N ATOM 1183 CA ARG A 75 2.335 -17.737 9.947 1.00 75.00 C ATOM 1184 C ARG A 75 1.686 -19.088 9.614 1.00 75.00 C ATOM 1185 O ARG A 75 0.866 -19.619 10.369 1.00 75.00 O ATOM 1186 CB ARG A 75 2.541 -17.516 11.487 1.00 75.00 C ATOM 1187 CG ARG A 75 3.814 -18.163 12.112 1.00 75.00 C ATOM 1188 CD ARG A 75 3.766 -19.705 12.207 1.00 75.00 C ATOM 1189 NE ARG A 75 5.008 -20.262 12.753 1.00 75.00 N ATOM 1190 CZ ARG A 75 5.336 -21.565 12.762 1.00 75.00 C ATOM 1191 NH1 ARG A 75 4.522 -22.492 12.267 1.00 75.00 N ATOM 1192 NH2 ARG A 75 6.494 -21.931 13.283 1.00 75.00 N ATOM 0 H ARG A 75 0.481 -16.898 9.448 1.00 75.00 H new ATOM 0 HA ARG A 75 3.337 -17.705 9.519 1.00 75.00 H new ATOM 0 HB2 ARG A 75 2.573 -16.443 11.678 1.00 75.00 H new ATOM 0 HB3 ARG A 75 1.667 -17.906 12.009 1.00 75.00 H new ATOM 0 HG2 ARG A 75 4.682 -17.875 11.519 1.00 75.00 H new ATOM 0 HG3 ARG A 75 3.961 -17.754 13.112 1.00 75.00 H new ATOM 0 HD2 ARG A 75 2.928 -20.003 12.837 1.00 75.00 H new ATOM 0 HD3 ARG A 75 3.586 -20.124 11.217 1.00 75.00 H new ATOM 0 HE ARG A 75 5.677 -19.607 13.159 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.623 -22.221 11.868 1.00 75.00 H new ATOM 0 HH12 ARG A 75 4.796 -23.474 12.287 1.00 75.00 H new ATOM 0 HH21 ARG A 75 7.124 -21.228 13.671 1.00 75.00 H new ATOM 0 HH22 ARG A 75 6.758 -22.916 13.298 1.00 75.00 H new ATOM 1206 N SER A 76 2.002 -19.584 8.418 1.00 75.00 N ATOM 1207 CA SER A 76 1.571 -20.900 7.935 1.00 75.00 C ATOM 1208 C SER A 76 2.646 -21.938 8.279 1.00 75.00 C ATOM 1209 O SER A 76 2.374 -22.968 8.907 1.00 75.00 O ATOM 1210 CB SER A 76 1.339 -20.808 6.417 1.00 75.00 C ATOM 1211 OG SER A 76 2.443 -20.178 5.769 1.00 75.00 O ATOM 0 H SER A 76 2.575 -19.075 7.744 1.00 75.00 H new ATOM 0 HA SER A 76 0.641 -21.209 8.412 1.00 75.00 H new ATOM 0 HB2 SER A 76 1.193 -21.807 6.006 1.00 75.00 H new ATOM 0 HB3 SER A 76 0.427 -20.246 6.218 1.00 75.00 H new ATOM 0 HG SER A 76 2.274 -20.132 4.805 1.00 75.00 H new ATOM 1217 N GLN A 77 3.881 -21.617 7.861 1.00 75.00 N ATOM 1218 CA GLN A 77 5.070 -22.448 8.077 1.00 75.00 C ATOM 1219 C GLN A 77 6.320 -21.542 8.080 1.00 75.00 C ATOM 1220 O GLN A 77 7.174 -21.657 8.962 1.00 75.00 O ATOM 1221 CB GLN A 77 5.166 -23.557 6.983 1.00 75.00 C ATOM 1222 CG GLN A 77 5.133 -23.045 5.523 1.00 75.00 C ATOM 1223 CD GLN A 77 5.330 -24.136 4.464 1.00 75.00 C ATOM 1224 OE1 GLN A 77 4.936 -25.286 4.648 1.00 75.00 O ATOM 1225 NE2 GLN A 77 5.946 -23.783 3.349 1.00 75.00 N ATOM 0 H GLN A 77 4.082 -20.755 7.354 1.00 75.00 H new ATOM 0 HA GLN A 77 5.001 -22.952 9.041 1.00 75.00 H new ATOM 0 HB2 GLN A 77 6.089 -24.116 7.135 1.00 75.00 H new ATOM 0 HB3 GLN A 77 4.343 -24.257 7.125 1.00 75.00 H new ATOM 0 HG2 GLN A 77 4.177 -22.552 5.345 1.00 75.00 H new ATOM 0 HG3 GLN A 77 5.909 -22.290 5.398 1.00 75.00 H new ATOM 0 HE21 GLN A 77 6.262 -22.821 3.224 1.00 75.00 H new ATOM 0 HE22 GLN A 77 6.105 -24.472 2.614 1.00 75.00 H new ATOM 1234 N ASN A 78 6.393 -20.626 7.091 1.00 75.00 N ATOM 1235 CA ASN A 78 7.511 -19.681 6.919 1.00 75.00 C ATOM 1236 C ASN A 78 7.071 -18.264 7.337 1.00 75.00 C ATOM 1237 O ASN A 78 6.215 -17.669 6.666 1.00 75.00 O ATOM 1238 CB ASN A 78 8.008 -19.670 5.442 1.00 75.00 C ATOM 1239 CG ASN A 78 8.687 -20.980 5.030 1.00 75.00 C ATOM 1240 OD1 ASN A 78 8.057 -21.888 4.489 1.00 75.00 O ATOM 1241 ND2 ASN A 78 9.981 -21.091 5.290 1.00 75.00 N ATOM 0 H ASN A 78 5.667 -20.523 6.382 1.00 75.00 H new ATOM 0 HA ASN A 78 8.335 -20.005 7.555 1.00 75.00 H new ATOM 0 HB2 ASN A 78 7.162 -19.482 4.781 1.00 75.00 H new ATOM 0 HB3 ASN A 78 8.708 -18.846 5.306 1.00 75.00 H new ATOM 0 HD21 ASN A 78 10.480 -21.945 5.041 1.00 75.00 H new ATOM 0 HD22 ASN A 78 10.479 -20.322 5.739 1.00 75.00 H new ATOM 1248 N PRO A 79 7.597 -17.724 8.485 1.00 75.00 N ATOM 1249 CA PRO A 79 7.420 -16.296 8.842 1.00 75.00 C ATOM 1250 C PRO A 79 8.262 -15.387 7.906 1.00 75.00 C ATOM 1251 O PRO A 79 9.464 -15.612 7.716 1.00 75.00 O ATOM 1252 CB PRO A 79 7.895 -16.235 10.316 1.00 75.00 C ATOM 1253 CG PRO A 79 8.859 -17.381 10.461 1.00 75.00 C ATOM 1254 CD PRO A 79 8.365 -18.469 9.528 1.00 75.00 C ATOM 0 HA PRO A 79 6.397 -15.938 8.728 1.00 75.00 H new ATOM 0 HB2 PRO A 79 8.378 -15.283 10.536 1.00 75.00 H new ATOM 0 HB3 PRO A 79 7.057 -16.335 11.005 1.00 75.00 H new ATOM 0 HG2 PRO A 79 9.871 -17.074 10.199 1.00 75.00 H new ATOM 0 HG3 PRO A 79 8.890 -17.736 11.491 1.00 75.00 H new ATOM 0 HD2 PRO A 79 9.193 -19.028 9.092 1.00 75.00 H new ATOM 0 HD3 PRO A 79 7.735 -19.188 10.051 1.00 75.00 H new ATOM 1262 N LEU A 80 7.615 -14.352 7.345 1.00 75.00 N ATOM 1263 CA LEU A 80 8.162 -13.561 6.222 1.00 75.00 C ATOM 1264 C LEU A 80 9.217 -12.520 6.649 1.00 75.00 C ATOM 1265 O LEU A 80 9.865 -11.913 5.782 1.00 75.00 O ATOM 1266 CB LEU A 80 7.002 -12.875 5.465 1.00 75.00 C ATOM 1267 CG LEU A 80 5.877 -13.822 4.941 1.00 75.00 C ATOM 1268 CD1 LEU A 80 4.804 -13.024 4.198 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.438 -14.966 4.061 1.00 75.00 C ATOM 0 H LEU A 80 6.696 -14.037 7.656 1.00 75.00 H new ATOM 0 HA LEU A 80 8.684 -14.259 5.568 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.549 -12.135 6.126 1.00 75.00 H new ATOM 0 HB3 LEU A 80 7.418 -12.332 4.616 1.00 75.00 H new ATOM 0 HG LEU A 80 5.416 -14.293 5.809 1.00 75.00 H new ATOM 0 HD11 LEU A 80 4.029 -13.702 3.840 1.00 75.00 H new ATOM 0 HD12 LEU A 80 4.362 -12.291 4.874 1.00 75.00 H new ATOM 0 HD13 LEU A 80 5.255 -12.509 3.350 1.00 75.00 H new ATOM 0 HD21 LEU A 80 5.618 -15.598 3.720 1.00 75.00 H new ATOM 0 HD22 LEU A 80 6.953 -14.543 3.198 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.139 -15.564 4.644 1.00 75.00 H new ATOM 1281 N LYS A 81 9.386 -12.300 7.973 1.00 75.00 N ATOM 1282 CA LYS A 81 10.449 -11.419 8.486 1.00 75.00 C ATOM 1283 C LYS A 81 11.794 -12.167 8.395 1.00 75.00 C ATOM 1284 O LYS A 81 12.155 -12.950 9.283 1.00 75.00 O ATOM 1285 CB LYS A 81 10.181 -10.944 9.940 1.00 75.00 C ATOM 1286 CG LYS A 81 11.236 -9.931 10.461 1.00 75.00 C ATOM 1287 CD LYS A 81 11.022 -9.538 11.938 1.00 75.00 C ATOM 1288 CE LYS A 81 12.091 -8.560 12.459 1.00 75.00 C ATOM 1289 NZ LYS A 81 11.925 -8.272 13.910 1.00 75.00 N ATOM 0 H LYS A 81 8.802 -12.719 8.697 1.00 75.00 H new ATOM 0 HA LYS A 81 10.474 -10.518 7.873 1.00 75.00 H new ATOM 0 HB2 LYS A 81 9.193 -10.486 9.989 1.00 75.00 H new ATOM 0 HB3 LYS A 81 10.163 -11.811 10.600 1.00 75.00 H new ATOM 0 HG2 LYS A 81 12.231 -10.361 10.346 1.00 75.00 H new ATOM 0 HG3 LYS A 81 11.204 -9.033 9.844 1.00 75.00 H new ATOM 0 HD2 LYS A 81 10.037 -9.084 12.049 1.00 75.00 H new ATOM 0 HD3 LYS A 81 11.030 -10.438 12.553 1.00 75.00 H new ATOM 0 HE2 LYS A 81 13.082 -8.979 12.284 1.00 75.00 H new ATOM 0 HE3 LYS A 81 12.035 -7.628 11.896 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 12.665 -7.610 14.219 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 10.990 -7.848 14.075 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 12.004 -9.157 14.451 1.00 75.00 H new ATOM 1303 N ILE A 82 12.485 -11.953 7.274 1.00 75.00 N ATOM 1304 CA ILE A 82 13.778 -12.582 6.968 1.00 75.00 C ATOM 1305 C ILE A 82 14.939 -11.679 7.427 1.00 75.00 C ATOM 1306 O ILE A 82 14.717 -10.595 7.997 1.00 75.00 O ATOM 1307 CB ILE A 82 13.877 -12.884 5.421 1.00 75.00 C ATOM 1308 CG1 ILE A 82 13.808 -11.562 4.576 1.00 75.00 C ATOM 1309 CG2 ILE A 82 12.765 -13.879 4.995 1.00 75.00 C ATOM 1310 CD1 ILE A 82 13.997 -11.757 3.077 1.00 75.00 C ATOM 0 H ILE A 82 12.159 -11.327 6.538 1.00 75.00 H new ATOM 0 HA ILE A 82 13.851 -13.525 7.510 1.00 75.00 H new ATOM 0 HB ILE A 82 14.845 -13.345 5.225 1.00 75.00 H new ATOM 0 HG12 ILE A 82 12.843 -11.086 4.748 1.00 75.00 H new ATOM 0 HG13 ILE A 82 14.572 -10.874 4.939 1.00 75.00 H new ATOM 0 HG21 ILE A 82 12.845 -14.078 3.926 1.00 75.00 H new ATOM 0 HG22 ILE A 82 12.880 -14.811 5.548 1.00 75.00 H new ATOM 0 HG23 ILE A 82 11.788 -13.447 5.211 1.00 75.00 H new ATOM 0 HD11 ILE A 82 13.934 -10.792 2.574 1.00 75.00 H new ATOM 0 HD12 ILE A 82 14.974 -12.202 2.888 1.00 75.00 H new ATOM 0 HD13 ILE A 82 13.218 -12.417 2.695 1.00 75.00 H new ATOM 1322 N ARG A 83 16.175 -12.148 7.176 1.00 75.00 N ATOM 1323 CA ARG A 83 17.403 -11.396 7.474 1.00 75.00 C ATOM 1324 C ARG A 83 17.501 -10.143 6.583 1.00 75.00 C ATOM 1325 O ARG A 83 17.010 -10.134 5.442 1.00 75.00 O ATOM 1326 CB ARG A 83 18.656 -12.299 7.280 1.00 75.00 C ATOM 1327 CG ARG A 83 18.895 -12.802 5.827 1.00 75.00 C ATOM 1328 CD ARG A 83 20.083 -13.771 5.724 1.00 75.00 C ATOM 1329 NE ARG A 83 21.330 -13.160 6.229 1.00 75.00 N ATOM 1330 CZ ARG A 83 22.447 -13.822 6.541 1.00 75.00 C ATOM 1331 NH1 ARG A 83 22.528 -15.146 6.412 1.00 75.00 N ATOM 1332 NH2 ARG A 83 23.494 -13.147 7.007 1.00 75.00 N ATOM 0 H ARG A 83 16.348 -13.063 6.759 1.00 75.00 H new ATOM 0 HA ARG A 83 17.365 -11.076 8.515 1.00 75.00 H new ATOM 0 HB2 ARG A 83 19.537 -11.745 7.604 1.00 75.00 H new ATOM 0 HB3 ARG A 83 18.565 -13.165 7.936 1.00 75.00 H new ATOM 0 HG2 ARG A 83 17.994 -13.298 5.466 1.00 75.00 H new ATOM 0 HG3 ARG A 83 19.071 -11.947 5.175 1.00 75.00 H new ATOM 0 HD2 ARG A 83 19.865 -14.676 6.291 1.00 75.00 H new ATOM 0 HD3 ARG A 83 20.219 -14.071 4.685 1.00 75.00 H new ATOM 0 HE ARG A 83 21.338 -12.147 6.349 1.00 75.00 H new ATOM 0 HH11 ARG A 83 21.726 -15.675 6.069 1.00 75.00 H new ATOM 0 HH12 ARG A 83 23.392 -15.630 6.657 1.00 75.00 H new ATOM 0 HH21 ARG A 83 23.438 -12.135 7.123 1.00 75.00 H new ATOM 0 HH22 ARG A 83 24.353 -13.641 7.249 1.00 75.00 H new ATOM 1346 N LEU A 84 18.142 -9.094 7.114 1.00 75.00 N ATOM 1347 CA LEU A 84 18.327 -7.818 6.399 1.00 75.00 C ATOM 1348 C LEU A 84 19.479 -7.928 5.379 1.00 75.00 C ATOM 1349 O LEU A 84 20.123 -8.982 5.260 1.00 75.00 O ATOM 1350 CB LEU A 84 18.581 -6.676 7.413 1.00 75.00 C ATOM 1351 CG LEU A 84 17.520 -6.522 8.551 1.00 75.00 C ATOM 1352 CD1 LEU A 84 17.914 -5.391 9.520 1.00 75.00 C ATOM 1353 CD2 LEU A 84 16.094 -6.315 7.981 1.00 75.00 C ATOM 0 H LEU A 84 18.548 -9.103 8.050 1.00 75.00 H new ATOM 0 HA LEU A 84 17.417 -7.587 5.845 1.00 75.00 H new ATOM 0 HB2 LEU A 84 19.557 -6.835 7.872 1.00 75.00 H new ATOM 0 HB3 LEU A 84 18.636 -5.736 6.865 1.00 75.00 H new ATOM 0 HG LEU A 84 17.503 -7.454 9.116 1.00 75.00 H new ATOM 0 HD11 LEU A 84 17.160 -5.303 10.303 1.00 75.00 H new ATOM 0 HD12 LEU A 84 18.880 -5.618 9.970 1.00 75.00 H new ATOM 0 HD13 LEU A 84 17.980 -4.450 8.973 1.00 75.00 H new ATOM 0 HD21 LEU A 84 15.385 -6.212 8.803 1.00 75.00 H new ATOM 0 HD22 LEU A 84 16.074 -5.413 7.369 1.00 75.00 H new ATOM 0 HD23 LEU A 84 15.818 -7.174 7.369 1.00 75.00 H new ATOM 1365 N THR A 85 19.733 -6.825 4.658 1.00 75.00 N ATOM 1366 CA THR A 85 20.662 -6.791 3.522 1.00 75.00 C ATOM 1367 C THR A 85 22.147 -6.774 3.986 1.00 75.00 C ATOM 1368 O THR A 85 22.788 -5.722 4.042 1.00 75.00 O ATOM 1369 CB THR A 85 20.324 -5.569 2.599 1.00 75.00 C ATOM 1370 OG1 THR A 85 20.324 -4.354 3.373 1.00 75.00 O ATOM 1371 CG2 THR A 85 18.948 -5.731 1.917 1.00 75.00 C ATOM 0 H THR A 85 19.294 -5.924 4.850 1.00 75.00 H new ATOM 0 HA THR A 85 20.535 -7.707 2.945 1.00 75.00 H new ATOM 0 HB THR A 85 21.089 -5.523 1.824 1.00 75.00 H new ATOM 0 HG1 THR A 85 21.162 -4.287 3.877 1.00 75.00 H new ATOM 0 HG21 THR A 85 18.750 -4.864 1.286 1.00 75.00 H new ATOM 0 HG22 THR A 85 18.949 -6.633 1.305 1.00 75.00 H new ATOM 0 HG23 THR A 85 18.172 -5.810 2.678 1.00 75.00 H new ATOM 1379 N ARG A 86 22.662 -7.964 4.365 1.00 75.00 N ATOM 1380 CA ARG A 86 24.071 -8.169 4.777 1.00 75.00 C ATOM 1381 C ARG A 86 24.559 -9.522 4.237 1.00 75.00 C ATOM 1382 O ARG A 86 23.911 -10.549 4.481 1.00 75.00 O ATOM 1383 CB ARG A 86 24.247 -8.178 6.325 1.00 75.00 C ATOM 1384 CG ARG A 86 23.852 -6.885 7.071 1.00 75.00 C ATOM 1385 CD ARG A 86 24.133 -6.994 8.581 1.00 75.00 C ATOM 1386 NE ARG A 86 23.492 -8.200 9.169 1.00 75.00 N ATOM 1387 CZ ARG A 86 24.115 -9.121 9.935 1.00 75.00 C ATOM 1388 NH1 ARG A 86 25.404 -9.013 10.238 1.00 75.00 N ATOM 1389 NH2 ARG A 86 23.438 -10.166 10.389 1.00 75.00 N ATOM 0 H ARG A 86 22.107 -8.819 4.394 1.00 75.00 H new ATOM 0 HA ARG A 86 24.649 -7.338 4.372 1.00 75.00 H new ATOM 0 HB2 ARG A 86 23.657 -9.000 6.731 1.00 75.00 H new ATOM 0 HB3 ARG A 86 25.292 -8.395 6.548 1.00 75.00 H new ATOM 0 HG2 ARG A 86 24.405 -6.042 6.657 1.00 75.00 H new ATOM 0 HG3 ARG A 86 22.793 -6.681 6.911 1.00 75.00 H new ATOM 0 HD2 ARG A 86 25.209 -7.034 8.750 1.00 75.00 H new ATOM 0 HD3 ARG A 86 23.764 -6.102 9.086 1.00 75.00 H new ATOM 0 HE ARG A 86 22.500 -8.343 8.978 1.00 75.00 H new ATOM 0 HH11 ARG A 86 25.945 -8.221 9.890 1.00 75.00 H new ATOM 0 HH12 ARG A 86 25.853 -9.722 10.819 1.00 75.00 H new ATOM 0 HH21 ARG A 86 22.450 -10.272 10.159 1.00 75.00 H new ATOM 0 HH22 ARG A 86 23.905 -10.864 10.968 1.00 75.00 H new ATOM 1403 N GLU A 87 25.705 -9.518 3.534 1.00 75.00 N ATOM 1404 CA GLU A 87 26.336 -10.739 3.010 1.00 75.00 C ATOM 1405 C GLU A 87 27.179 -11.415 4.114 1.00 75.00 C ATOM 1406 O GLU A 87 28.271 -10.939 4.446 1.00 75.00 O ATOM 1407 CB GLU A 87 27.216 -10.404 1.776 1.00 75.00 C ATOM 1408 CG GLU A 87 26.477 -9.640 0.656 1.00 75.00 C ATOM 1409 CD GLU A 87 27.350 -9.409 -0.589 1.00 75.00 C ATOM 1410 OE1 GLU A 87 28.234 -8.530 -0.546 1.00 75.00 O ATOM 1411 OE2 GLU A 87 27.168 -10.124 -1.598 1.00 75.00 O ATOM 0 H GLU A 87 26.220 -8.665 3.313 1.00 75.00 H new ATOM 0 HA GLU A 87 25.556 -11.433 2.695 1.00 75.00 H new ATOM 0 HB2 GLU A 87 28.069 -9.809 2.103 1.00 75.00 H new ATOM 0 HB3 GLU A 87 27.613 -11.332 1.365 1.00 75.00 H new ATOM 0 HG2 GLU A 87 25.586 -10.198 0.370 1.00 75.00 H new ATOM 0 HG3 GLU A 87 26.140 -8.677 1.041 1.00 75.00 H new ATOM 1418 N ALA A 88 26.630 -12.492 4.694 1.00 75.00 N ATOM 1419 CA ALA A 88 27.287 -13.289 5.745 1.00 75.00 C ATOM 1420 C ALA A 88 26.588 -14.662 5.852 1.00 75.00 C ATOM 1421 O ALA A 88 25.382 -14.735 5.607 1.00 75.00 O ATOM 1422 CB ALA A 88 27.243 -12.541 7.093 1.00 75.00 C ATOM 0 H ALA A 88 25.704 -12.840 4.444 1.00 75.00 H new ATOM 0 HA ALA A 88 28.334 -13.444 5.485 1.00 75.00 H new ATOM 0 HB1 ALA A 88 27.732 -13.143 7.859 1.00 75.00 H new ATOM 0 HB2 ALA A 88 27.760 -11.586 6.996 1.00 75.00 H new ATOM 0 HB3 ALA A 88 26.206 -12.365 7.378 1.00 75.00 H new ATOM 1428 N PRO A 89 27.335 -15.775 6.183 1.00 75.00 N ATOM 1429 CA PRO A 89 26.754 -17.148 6.331 1.00 75.00 C ATOM 1430 C PRO A 89 25.501 -17.195 7.261 1.00 75.00 C ATOM 1431 O PRO A 89 25.653 -17.023 8.484 1.00 75.00 O ATOM 1432 CB PRO A 89 27.943 -17.975 6.903 1.00 75.00 C ATOM 1433 CG PRO A 89 29.163 -17.271 6.387 1.00 75.00 C ATOM 1434 CD PRO A 89 28.815 -15.794 6.409 1.00 75.00 C ATOM 1435 OXT PRO A 89 24.375 -17.404 6.759 1.00 75.00 O ATOM 0 HA PRO A 89 26.373 -17.536 5.386 1.00 75.00 H new ATOM 0 HB2 PRO A 89 27.926 -17.995 7.993 1.00 75.00 H new ATOM 0 HB3 PRO A 89 27.907 -19.010 6.564 1.00 75.00 H new ATOM 0 HG2 PRO A 89 30.031 -17.480 7.012 1.00 75.00 H new ATOM 0 HG3 PRO A 89 29.410 -17.601 5.378 1.00 75.00 H new ATOM 0 HD2 PRO A 89 29.081 -15.334 7.361 1.00 75.00 H new ATOM 0 HD3 PRO A 89 29.346 -15.246 5.631 1.00 75.00 H new TER 1443 PRO A 89