USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 67 TYR OH : rot 80:sc= -1.47 USER MOD Set 1.2: A 77 THR OG1 : rot -72:sc= -1.12 USER MOD Set 2.1: A 22 THR OG1 : rot -110:sc= 0.613 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.215 K(o=0.83,f=-1.1!) USER MOD Set 3.1: A 5 SER OG : rot 160:sc= -0.41 USER MOD Set 3.2: A 13 THR OG1 : rot 177:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 49:sc= 0.00486 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.4!) USER MOD Single : A 14 GLN : amide:sc= -0.355 K(o=-0.35,f=-2.8!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 53:sc= 1.14 USER MOD Single : A 43 MET CE :methyl 176:sc= -0.0679 (180deg=-0.123) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.012 (180deg=-0.278) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 164:sc= -0.0517 (180deg=-0.352) USER MOD Single : A 52 HIS : no HE2:sc= -2.76! C(o=-2.8!,f=-8.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= 0.00646 (180deg=0) USER MOD Single : A 56 SER OG : rot -113:sc= -0.869 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.812) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 76 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-2.2!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.153 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 97 SER OG : rot 180:sc= -0.221 USER MOD Single : A 98 SER OG : rot 180:sc= -0.098 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.767 21.058 3.017 1.00 0.00 N ATOM 2 CA GLY A 1 6.769 22.272 3.817 1.00 0.00 C ATOM 3 C GLY A 1 8.062 22.393 4.626 1.00 0.00 C ATOM 4 O GLY A 1 9.007 23.053 4.197 1.00 0.00 O ATOM 0 H1 GLY A 1 5.880 20.999 2.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.572 21.075 2.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.848 20.230 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.660 23.140 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.913 22.269 4.491 1.00 0.00 H new ATOM 8 N SER A 2 8.062 21.746 5.782 1.00 0.00 N ATOM 9 CA SER A 2 9.223 21.773 6.655 1.00 0.00 C ATOM 10 C SER A 2 10.444 21.219 5.919 1.00 0.00 C ATOM 11 O SER A 2 10.321 20.689 4.816 1.00 0.00 O ATOM 12 CB SER A 2 8.968 20.976 7.936 1.00 0.00 C ATOM 13 OG SER A 2 7.797 21.420 8.617 1.00 0.00 O ATOM 0 H SER A 2 7.276 21.200 6.134 1.00 0.00 H new ATOM 0 HA SER A 2 9.415 22.808 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.866 19.919 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.829 21.068 8.598 1.00 0.00 H new ATOM 0 HG SER A 2 7.668 20.886 9.428 1.00 0.00 H new ATOM 19 N SER A 3 11.596 21.360 6.559 1.00 0.00 N ATOM 20 CA SER A 3 12.838 20.880 5.979 1.00 0.00 C ATOM 21 C SER A 3 13.227 19.541 6.609 1.00 0.00 C ATOM 22 O SER A 3 13.027 19.333 7.805 1.00 0.00 O ATOM 23 CB SER A 3 13.963 21.900 6.163 1.00 0.00 C ATOM 24 OG SER A 3 15.240 21.349 5.855 1.00 0.00 O ATOM 0 H SER A 3 11.695 21.800 7.474 1.00 0.00 H new ATOM 0 HA SER A 3 12.683 20.740 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.777 22.763 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.962 22.259 7.192 1.00 0.00 H new ATOM 0 HG SER A 3 15.931 22.032 5.983 1.00 0.00 H new ATOM 30 N GLY A 4 13.776 18.669 5.777 1.00 0.00 N ATOM 31 CA GLY A 4 14.195 17.356 6.238 1.00 0.00 C ATOM 32 C GLY A 4 14.004 16.304 5.144 1.00 0.00 C ATOM 33 O GLY A 4 14.938 15.995 4.406 1.00 0.00 O ATOM 0 H GLY A 4 13.941 18.846 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.243 17.389 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.620 17.076 7.121 1.00 0.00 H new ATOM 37 N SER A 5 12.788 15.783 5.074 1.00 0.00 N ATOM 38 CA SER A 5 12.463 14.772 4.082 1.00 0.00 C ATOM 39 C SER A 5 13.339 13.535 4.290 1.00 0.00 C ATOM 40 O SER A 5 14.375 13.606 4.950 1.00 0.00 O ATOM 41 CB SER A 5 12.640 15.315 2.663 1.00 0.00 C ATOM 42 OG SER A 5 11.400 15.400 1.965 1.00 0.00 O ATOM 0 H SER A 5 12.016 16.042 5.688 1.00 0.00 H new ATOM 0 HA SER A 5 11.416 14.494 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.099 16.302 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.323 14.670 2.111 1.00 0.00 H new ATOM 0 HG SER A 5 11.488 16.026 1.217 1.00 0.00 H new ATOM 48 N SER A 6 12.892 12.429 3.713 1.00 0.00 N ATOM 49 CA SER A 6 13.622 11.177 3.827 1.00 0.00 C ATOM 50 C SER A 6 13.168 10.206 2.736 1.00 0.00 C ATOM 51 O SER A 6 11.976 10.099 2.451 1.00 0.00 O ATOM 52 CB SER A 6 13.429 10.551 5.209 1.00 0.00 C ATOM 53 OG SER A 6 14.607 10.644 6.006 1.00 0.00 O ATOM 0 H SER A 6 12.033 12.374 3.165 1.00 0.00 H new ATOM 0 HA SER A 6 14.684 11.387 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.605 11.048 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.149 9.504 5.097 1.00 0.00 H new ATOM 0 HG SER A 6 14.945 11.563 5.984 1.00 0.00 H new ATOM 59 N GLY A 7 14.142 9.522 2.154 1.00 0.00 N ATOM 60 CA GLY A 7 13.857 8.563 1.100 1.00 0.00 C ATOM 61 C GLY A 7 14.450 9.021 -0.234 1.00 0.00 C ATOM 62 O GLY A 7 15.250 9.954 -0.273 1.00 0.00 O ATOM 0 H GLY A 7 15.130 9.613 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.267 7.589 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.779 8.438 0.999 1.00 0.00 H new ATOM 66 N VAL A 8 14.033 8.344 -1.294 1.00 0.00 N ATOM 67 CA VAL A 8 14.512 8.671 -2.626 1.00 0.00 C ATOM 68 C VAL A 8 13.364 9.262 -3.446 1.00 0.00 C ATOM 69 O VAL A 8 12.940 8.676 -4.440 1.00 0.00 O ATOM 70 CB VAL A 8 15.136 7.433 -3.275 1.00 0.00 C ATOM 71 CG1 VAL A 8 14.081 6.351 -3.515 1.00 0.00 C ATOM 72 CG2 VAL A 8 15.852 7.799 -4.577 1.00 0.00 C ATOM 0 H VAL A 8 13.369 7.571 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 8 15.296 9.426 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 8 15.879 7.031 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.550 5.482 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.635 6.060 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.306 6.739 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.287 6.902 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.138 8.237 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.643 8.520 -4.367 1.00 0.00 H new ATOM 82 N SER A 9 12.893 10.416 -2.998 1.00 0.00 N ATOM 83 CA SER A 9 11.802 11.094 -3.677 1.00 0.00 C ATOM 84 C SER A 9 12.216 12.521 -4.039 1.00 0.00 C ATOM 85 O SER A 9 12.623 13.292 -3.171 1.00 0.00 O ATOM 86 CB SER A 9 10.540 11.110 -2.812 1.00 0.00 C ATOM 87 OG SER A 9 9.906 9.835 -2.768 1.00 0.00 O ATOM 0 H SER A 9 13.247 10.899 -2.172 1.00 0.00 H new ATOM 0 HA SER A 9 11.576 10.546 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.798 11.421 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.841 11.849 -3.204 1.00 0.00 H new ATOM 0 HG SER A 9 9.106 9.887 -2.205 1.00 0.00 H new ATOM 93 N SER A 10 12.098 12.831 -5.322 1.00 0.00 N ATOM 94 CA SER A 10 12.456 14.152 -5.809 1.00 0.00 C ATOM 95 C SER A 10 11.193 14.986 -6.033 1.00 0.00 C ATOM 96 O SER A 10 11.077 16.096 -5.514 1.00 0.00 O ATOM 97 CB SER A 10 13.269 14.062 -7.101 1.00 0.00 C ATOM 98 OG SER A 10 14.539 14.696 -6.979 1.00 0.00 O ATOM 0 H SER A 10 11.759 12.190 -6.039 1.00 0.00 H new ATOM 0 HA SER A 10 13.076 14.638 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.411 13.015 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.710 14.525 -7.914 1.00 0.00 H new ATOM 0 HG SER A 10 15.028 14.615 -7.825 1.00 0.00 H new ATOM 104 N GLN A 11 10.278 14.421 -6.807 1.00 0.00 N ATOM 105 CA GLN A 11 9.029 15.098 -7.107 1.00 0.00 C ATOM 106 C GLN A 11 8.301 15.466 -5.813 1.00 0.00 C ATOM 107 O GLN A 11 8.121 16.645 -5.511 1.00 0.00 O ATOM 108 CB GLN A 11 8.141 14.238 -8.009 1.00 0.00 C ATOM 109 CG GLN A 11 7.551 15.069 -9.151 1.00 0.00 C ATOM 110 CD GLN A 11 8.611 15.373 -10.212 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.799 15.433 -9.941 1.00 0.00 O ATOM 112 NE2 GLN A 11 8.116 15.560 -11.432 1.00 0.00 N ATOM 0 H GLN A 11 10.377 13.501 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 11 9.258 16.017 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.723 13.413 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.336 13.799 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.720 14.530 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.148 16.002 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.110 15.495 -11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.742 15.768 -12.210 1.00 0.00 H new ATOM 121 N GLU A 12 7.902 14.436 -5.082 1.00 0.00 N ATOM 122 CA GLU A 12 7.197 14.636 -3.827 1.00 0.00 C ATOM 123 C GLU A 12 7.564 13.534 -2.830 1.00 0.00 C ATOM 124 O GLU A 12 7.601 12.357 -3.186 1.00 0.00 O ATOM 125 CB GLU A 12 5.685 14.692 -4.050 1.00 0.00 C ATOM 126 CG GLU A 12 4.977 15.329 -2.852 1.00 0.00 C ATOM 127 CD GLU A 12 3.963 16.379 -3.310 1.00 0.00 C ATOM 128 OE1 GLU A 12 3.224 16.073 -4.270 1.00 0.00 O ATOM 129 OE2 GLU A 12 3.949 17.463 -2.688 1.00 0.00 O ATOM 0 H GLU A 12 8.054 13.460 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 12 7.505 15.594 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.468 15.264 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.300 13.685 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.470 14.558 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.713 15.791 -2.194 1.00 0.00 H new ATOM 136 N THR A 13 7.827 13.955 -1.602 1.00 0.00 N ATOM 137 CA THR A 13 8.190 13.019 -0.552 1.00 0.00 C ATOM 138 C THR A 13 6.938 12.508 0.164 1.00 0.00 C ATOM 139 O THR A 13 6.677 11.306 0.184 1.00 0.00 O ATOM 140 CB THR A 13 9.181 13.717 0.382 1.00 0.00 C ATOM 141 OG1 THR A 13 10.366 13.843 -0.400 1.00 0.00 O ATOM 142 CG2 THR A 13 9.603 12.831 1.556 1.00 0.00 C ATOM 0 H THR A 13 7.796 14.932 -1.311 1.00 0.00 H new ATOM 0 HA THR A 13 8.676 12.134 -0.963 1.00 0.00 H new ATOM 0 HB THR A 13 8.735 14.636 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.044 14.334 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.306 13.374 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.724 12.560 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.079 11.927 1.177 1.00 0.00 H new ATOM 150 N GLN A 14 6.196 13.447 0.733 1.00 0.00 N ATOM 151 CA GLN A 14 4.978 13.107 1.448 1.00 0.00 C ATOM 152 C GLN A 14 3.939 12.534 0.482 1.00 0.00 C ATOM 153 O GLN A 14 3.324 13.274 -0.285 1.00 0.00 O ATOM 154 CB GLN A 14 4.422 14.322 2.193 1.00 0.00 C ATOM 155 CG GLN A 14 5.032 14.432 3.593 1.00 0.00 C ATOM 156 CD GLN A 14 5.652 15.814 3.813 1.00 0.00 C ATOM 157 OE1 GLN A 14 5.486 16.730 3.025 1.00 0.00 O ATOM 158 NE2 GLN A 14 6.373 15.911 4.926 1.00 0.00 N ATOM 0 H GLN A 14 6.415 14.443 0.713 1.00 0.00 H new ATOM 0 HA GLN A 14 5.216 12.345 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.635 15.229 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.338 14.241 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.263 14.250 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.793 13.663 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.471 15.104 5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.828 16.792 5.164 1.00 0.00 H new ATOM 167 N GLY A 15 3.774 11.221 0.551 1.00 0.00 N ATOM 168 CA GLY A 15 2.820 10.541 -0.308 1.00 0.00 C ATOM 169 C GLY A 15 1.837 9.707 0.517 1.00 0.00 C ATOM 170 O GLY A 15 0.638 9.979 0.521 1.00 0.00 O ATOM 0 H GLY A 15 4.285 10.610 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.273 11.274 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.351 9.896 -1.008 1.00 0.00 H new ATOM 174 N GLY A 16 2.383 8.708 1.196 1.00 0.00 N ATOM 175 CA GLY A 16 1.569 7.833 2.023 1.00 0.00 C ATOM 176 C GLY A 16 2.399 6.671 2.572 1.00 0.00 C ATOM 177 O GLY A 16 3.627 6.697 2.513 1.00 0.00 O ATOM 0 H GLY A 16 3.378 8.485 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.141 8.401 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.735 7.445 1.438 1.00 0.00 H new ATOM 181 N PRO A 17 1.676 5.651 3.108 1.00 0.00 N ATOM 182 CA PRO A 17 2.331 4.482 3.667 1.00 0.00 C ATOM 183 C PRO A 17 2.862 3.569 2.560 1.00 0.00 C ATOM 184 O PRO A 17 2.086 2.936 1.847 1.00 0.00 O ATOM 185 CB PRO A 17 1.275 3.814 4.532 1.00 0.00 C ATOM 186 CG PRO A 17 -0.060 4.368 4.061 1.00 0.00 C ATOM 187 CD PRO A 17 0.220 5.585 3.195 1.00 0.00 C ATOM 0 HA PRO A 17 3.210 4.736 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.309 2.730 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.439 4.033 5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.608 3.615 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.682 4.641 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.231 5.481 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.192 6.491 3.640 1.00 0.00 H new ATOM 195 N LEU A 18 4.182 3.530 2.451 1.00 0.00 N ATOM 196 CA LEU A 18 4.826 2.705 1.443 1.00 0.00 C ATOM 197 C LEU A 18 4.611 1.229 1.784 1.00 0.00 C ATOM 198 O LEU A 18 4.386 0.883 2.943 1.00 0.00 O ATOM 199 CB LEU A 18 6.298 3.094 1.293 1.00 0.00 C ATOM 200 CG LEU A 18 6.574 4.558 0.947 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.975 4.728 0.356 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.490 5.116 0.022 1.00 0.00 C ATOM 0 H LEU A 18 4.823 4.057 3.044 1.00 0.00 H new ATOM 0 HA LEU A 18 4.374 2.875 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.812 2.859 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.741 2.469 0.518 1.00 0.00 H new ATOM 0 HG LEU A 18 6.542 5.139 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.145 5.778 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.718 4.394 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.061 4.132 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.710 6.158 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.466 4.537 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.521 5.050 0.516 1.00 0.00 H new ATOM 214 N ALA A 19 4.688 0.400 0.755 1.00 0.00 N ATOM 215 CA ALA A 19 4.505 -1.031 0.931 1.00 0.00 C ATOM 216 C ALA A 19 5.566 -1.561 1.897 1.00 0.00 C ATOM 217 O ALA A 19 6.727 -1.159 1.833 1.00 0.00 O ATOM 218 CB ALA A 19 4.559 -1.725 -0.432 1.00 0.00 C ATOM 0 H ALA A 19 4.875 0.691 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 19 3.528 -1.242 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.422 -2.798 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.767 -1.334 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.527 -1.538 -0.898 1.00 0.00 H new ATOM 224 N PRO A 20 5.118 -2.481 2.794 1.00 0.00 N ATOM 225 CA PRO A 20 6.016 -3.070 3.773 1.00 0.00 C ATOM 226 C PRO A 20 6.936 -4.104 3.120 1.00 0.00 C ATOM 227 O PRO A 20 8.051 -4.331 3.587 1.00 0.00 O ATOM 228 CB PRO A 20 5.105 -3.670 4.831 1.00 0.00 C ATOM 229 CG PRO A 20 3.739 -3.803 4.178 1.00 0.00 C ATOM 230 CD PRO A 20 3.751 -2.981 2.900 1.00 0.00 C ATOM 0 HA PRO A 20 6.693 -2.340 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.476 -4.640 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.056 -3.031 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.521 -4.848 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.958 -3.450 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.484 -3.589 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.033 -2.163 2.949 1.00 0.00 H new ATOM 238 N MET A 21 6.434 -4.704 2.050 1.00 0.00 N ATOM 239 CA MET A 21 7.197 -5.708 1.329 1.00 0.00 C ATOM 240 C MET A 21 6.520 -6.063 0.003 1.00 0.00 C ATOM 241 O MET A 21 5.304 -5.936 -0.130 1.00 0.00 O ATOM 242 CB MET A 21 7.327 -6.966 2.189 1.00 0.00 C ATOM 243 CG MET A 21 8.091 -8.063 1.444 1.00 0.00 C ATOM 244 SD MET A 21 8.870 -9.165 2.612 1.00 0.00 S ATOM 245 CE MET A 21 10.527 -8.503 2.605 1.00 0.00 C ATOM 0 H MET A 21 5.509 -4.514 1.666 1.00 0.00 H new ATOM 0 HA MET A 21 8.185 -5.301 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.844 -6.724 3.118 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.336 -7.329 2.461 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.409 -8.622 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.844 -7.616 0.795 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.152 -9.079 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.938 -8.563 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.504 -7.462 2.926 1.00 0.00 H new ATOM 255 N THR A 22 7.337 -6.501 -0.943 1.00 0.00 N ATOM 256 CA THR A 22 6.832 -6.876 -2.253 1.00 0.00 C ATOM 257 C THR A 22 5.779 -7.978 -2.124 1.00 0.00 C ATOM 258 O THR A 22 6.113 -9.135 -1.873 1.00 0.00 O ATOM 259 CB THR A 22 8.026 -7.275 -3.123 1.00 0.00 C ATOM 260 OG1 THR A 22 8.748 -6.059 -3.301 1.00 0.00 O ATOM 261 CG2 THR A 22 7.610 -7.672 -4.541 1.00 0.00 C ATOM 0 H THR A 22 8.345 -6.605 -0.829 1.00 0.00 H new ATOM 0 HA THR A 22 6.324 -6.041 -2.735 1.00 0.00 H new ATOM 0 HB THR A 22 8.556 -8.104 -2.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.660 -5.759 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.494 -7.946 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.929 -8.522 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.110 -6.831 -5.022 1.00 0.00 H new ATOM 269 N GLY A 23 4.528 -7.580 -2.301 1.00 0.00 N ATOM 270 CA GLY A 23 3.423 -8.519 -2.207 1.00 0.00 C ATOM 271 C GLY A 23 2.247 -8.071 -3.076 1.00 0.00 C ATOM 272 O GLY A 23 2.381 -7.151 -3.881 1.00 0.00 O ATOM 0 H GLY A 23 4.255 -6.620 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.755 -9.509 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.101 -8.604 -1.169 1.00 0.00 H new ATOM 276 N THR A 24 1.121 -8.742 -2.884 1.00 0.00 N ATOM 277 CA THR A 24 -0.078 -8.424 -3.640 1.00 0.00 C ATOM 278 C THR A 24 -1.200 -7.978 -2.700 1.00 0.00 C ATOM 279 O THR A 24 -1.298 -8.461 -1.573 1.00 0.00 O ATOM 280 CB THR A 24 -0.443 -9.648 -4.484 1.00 0.00 C ATOM 281 OG1 THR A 24 0.696 -9.848 -5.316 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.579 -9.362 -5.469 1.00 0.00 C ATOM 0 H THR A 24 1.014 -9.505 -2.215 1.00 0.00 H new ATOM 0 HA THR A 24 0.091 -7.584 -4.314 1.00 0.00 H new ATOM 0 HB THR A 24 -0.730 -10.469 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.546 -10.624 -5.895 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.799 -10.262 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.469 -9.056 -4.919 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.280 -8.563 -6.148 1.00 0.00 H new ATOM 290 N ILE A 25 -2.016 -7.062 -3.198 1.00 0.00 N ATOM 291 CA ILE A 25 -3.127 -6.545 -2.416 1.00 0.00 C ATOM 292 C ILE A 25 -4.223 -7.609 -2.329 1.00 0.00 C ATOM 293 O ILE A 25 -4.719 -8.080 -3.352 1.00 0.00 O ATOM 294 CB ILE A 25 -3.610 -5.211 -2.988 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.428 -4.301 -3.330 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.599 -4.532 -2.038 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.506 -4.122 -2.122 1.00 0.00 C ATOM 0 H ILE A 25 -1.931 -6.664 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.808 -6.331 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.143 -5.411 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.866 -4.726 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.796 -3.329 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.926 -3.586 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.462 -5.180 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.114 -4.346 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.674 -3.471 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.065 -3.674 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.121 -5.093 -1.811 1.00 0.00 H new ATOM 309 N GLU A 26 -4.569 -7.958 -1.099 1.00 0.00 N ATOM 310 CA GLU A 26 -5.596 -8.958 -0.865 1.00 0.00 C ATOM 311 C GLU A 26 -6.929 -8.282 -0.535 1.00 0.00 C ATOM 312 O GLU A 26 -7.954 -8.593 -1.140 1.00 0.00 O ATOM 313 CB GLU A 26 -5.180 -9.922 0.247 1.00 0.00 C ATOM 314 CG GLU A 26 -6.270 -10.965 0.504 1.00 0.00 C ATOM 315 CD GLU A 26 -6.419 -11.909 -0.691 1.00 0.00 C ATOM 316 OE1 GLU A 26 -7.146 -11.523 -1.631 1.00 0.00 O ATOM 317 OE2 GLU A 26 -5.802 -12.994 -0.637 1.00 0.00 O ATOM 0 H GLU A 26 -4.156 -7.566 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.722 -9.541 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.251 -10.422 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.983 -9.364 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.025 -11.539 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.219 -10.465 0.697 1.00 0.00 H new ATOM 324 N LYS A 27 -6.871 -7.369 0.424 1.00 0.00 N ATOM 325 CA LYS A 27 -8.061 -6.647 0.842 1.00 0.00 C ATOM 326 C LYS A 27 -7.733 -5.157 0.961 1.00 0.00 C ATOM 327 O LYS A 27 -6.603 -4.791 1.280 1.00 0.00 O ATOM 328 CB LYS A 27 -8.634 -7.255 2.124 1.00 0.00 C ATOM 329 CG LYS A 27 -9.612 -8.387 1.805 1.00 0.00 C ATOM 330 CD LYS A 27 -11.047 -7.865 1.720 1.00 0.00 C ATOM 331 CE LYS A 27 -11.494 -7.722 0.263 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.959 -7.529 0.187 1.00 0.00 N ATOM 0 H LYS A 27 -6.019 -7.113 0.923 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.847 -6.742 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.823 -7.635 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.142 -6.483 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.335 -8.856 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.546 -9.157 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.717 -8.546 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.117 -6.900 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.985 -6.875 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.209 -8.611 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.245 -7.434 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.440 -8.349 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.223 -6.668 0.707 1.00 0.00 H new ATOM 346 N VAL A 28 -8.740 -4.339 0.697 1.00 0.00 N ATOM 347 CA VAL A 28 -8.573 -2.898 0.770 1.00 0.00 C ATOM 348 C VAL A 28 -9.699 -2.300 1.616 1.00 0.00 C ATOM 349 O VAL A 28 -10.814 -2.115 1.130 1.00 0.00 O ATOM 350 CB VAL A 28 -8.505 -2.306 -0.639 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.638 -0.782 -0.602 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.217 -2.727 -1.349 1.00 0.00 C ATOM 0 H VAL A 28 -9.676 -4.647 0.432 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.631 -2.648 1.259 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.346 -2.701 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.586 -0.388 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.595 -0.511 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.828 -0.360 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.194 -2.293 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.356 -2.375 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.182 -3.814 -1.425 1.00 0.00 H new ATOM 362 N PHE A 29 -9.369 -2.015 2.867 1.00 0.00 N ATOM 363 CA PHE A 29 -10.339 -1.442 3.785 1.00 0.00 C ATOM 364 C PHE A 29 -10.158 0.073 3.899 1.00 0.00 C ATOM 365 O PHE A 29 -10.073 0.610 5.002 1.00 0.00 O ATOM 366 CB PHE A 29 -10.090 -2.078 5.154 1.00 0.00 C ATOM 367 CG PHE A 29 -10.094 -3.608 5.139 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.134 -4.280 4.575 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.059 -4.296 5.690 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.138 -5.699 4.561 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.063 -5.716 5.677 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.102 -6.388 5.113 1.00 0.00 C ATOM 0 H PHE A 29 -8.443 -2.170 3.267 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.350 -1.634 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.130 -1.731 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.854 -1.730 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.957 -3.733 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.234 -3.763 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.963 -6.232 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.241 -6.262 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.105 -7.468 5.103 1.00 0.00 H new ATOM 382 N VAL A 30 -10.104 0.719 2.743 1.00 0.00 N ATOM 383 CA VAL A 30 -9.935 2.162 2.699 1.00 0.00 C ATOM 384 C VAL A 30 -10.639 2.716 1.460 1.00 0.00 C ATOM 385 O VAL A 30 -11.292 1.974 0.728 1.00 0.00 O ATOM 386 CB VAL A 30 -8.447 2.515 2.750 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.833 2.113 4.092 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.691 1.872 1.586 1.00 0.00 C ATOM 0 H VAL A 30 -10.174 0.270 1.830 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.396 2.628 3.570 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.356 3.597 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.775 2.375 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.344 2.639 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.942 1.038 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.636 2.139 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.795 0.788 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.103 2.230 0.643 1.00 0.00 H new ATOM 398 N LYS A 31 -10.483 4.017 1.262 1.00 0.00 N ATOM 399 CA LYS A 31 -11.097 4.680 0.124 1.00 0.00 C ATOM 400 C LYS A 31 -10.658 6.145 0.095 1.00 0.00 C ATOM 401 O LYS A 31 -9.723 6.531 0.795 1.00 0.00 O ATOM 402 CB LYS A 31 -12.615 4.493 0.149 1.00 0.00 C ATOM 403 CG LYS A 31 -13.216 5.056 1.438 1.00 0.00 C ATOM 404 CD LYS A 31 -13.934 6.381 1.176 1.00 0.00 C ATOM 405 CE LYS A 31 -15.413 6.287 1.556 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.224 5.875 0.389 1.00 0.00 N ATOM 0 H LYS A 31 -9.940 4.630 1.871 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.759 4.227 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.061 4.991 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.856 3.433 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.917 4.336 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.428 5.205 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.457 7.177 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.841 6.647 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.541 5.570 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.761 7.251 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.225 5.816 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.116 6.574 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.902 4.945 0.054 1.00 0.00 H new ATOM 420 N ALA A 32 -11.354 6.922 -0.722 1.00 0.00 N ATOM 421 CA ALA A 32 -11.048 8.337 -0.851 1.00 0.00 C ATOM 422 C ALA A 32 -12.039 9.147 -0.012 1.00 0.00 C ATOM 423 O ALA A 32 -13.189 8.745 0.155 1.00 0.00 O ATOM 424 CB ALA A 32 -11.074 8.732 -2.328 1.00 0.00 C ATOM 0 H ALA A 32 -12.129 6.599 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.047 8.550 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.845 9.793 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.332 8.149 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.064 8.536 -2.740 1.00 0.00 H new ATOM 430 N GLY A 33 -11.556 10.274 0.491 1.00 0.00 N ATOM 431 CA GLY A 33 -12.386 11.144 1.308 1.00 0.00 C ATOM 432 C GLY A 33 -12.855 10.424 2.574 1.00 0.00 C ATOM 433 O GLY A 33 -13.846 10.820 3.186 1.00 0.00 O ATOM 0 H GLY A 33 -10.602 10.605 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.824 12.038 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.250 11.474 0.732 1.00 0.00 H new ATOM 437 N ASP A 34 -12.121 9.379 2.929 1.00 0.00 N ATOM 438 CA ASP A 34 -12.450 8.601 4.111 1.00 0.00 C ATOM 439 C ASP A 34 -11.616 9.099 5.293 1.00 0.00 C ATOM 440 O ASP A 34 -10.672 9.866 5.111 1.00 0.00 O ATOM 441 CB ASP A 34 -12.133 7.119 3.900 1.00 0.00 C ATOM 442 CG ASP A 34 -13.288 6.162 4.200 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.445 6.582 3.981 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.989 5.031 4.640 1.00 0.00 O ATOM 0 H ASP A 34 -11.300 9.053 2.419 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.516 8.718 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.820 6.974 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.285 6.851 4.531 1.00 0.00 H new ATOM 449 N LYS A 35 -11.996 8.644 6.478 1.00 0.00 N ATOM 450 CA LYS A 35 -11.295 9.034 7.689 1.00 0.00 C ATOM 451 C LYS A 35 -10.864 7.779 8.450 1.00 0.00 C ATOM 452 O LYS A 35 -11.681 6.899 8.719 1.00 0.00 O ATOM 453 CB LYS A 35 -12.152 9.992 8.519 1.00 0.00 C ATOM 454 CG LYS A 35 -12.623 11.177 7.674 1.00 0.00 C ATOM 455 CD LYS A 35 -13.946 10.860 6.973 1.00 0.00 C ATOM 456 CE LYS A 35 -14.502 12.097 6.265 1.00 0.00 C ATOM 457 NZ LYS A 35 -15.597 12.699 7.059 1.00 0.00 N ATOM 0 H LYS A 35 -12.780 8.009 6.625 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.388 9.586 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.015 9.460 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.577 10.354 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.745 12.055 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.864 11.423 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.795 10.059 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.670 10.498 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.707 12.828 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.870 11.823 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.964 13.537 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.362 12.005 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.235 12.978 7.993 1.00 0.00 H new ATOM 471 N VAL A 36 -9.580 7.735 8.777 1.00 0.00 N ATOM 472 CA VAL A 36 -9.031 6.602 9.501 1.00 0.00 C ATOM 473 C VAL A 36 -8.334 7.102 10.769 1.00 0.00 C ATOM 474 O VAL A 36 -7.954 8.269 10.853 1.00 0.00 O ATOM 475 CB VAL A 36 -8.104 5.796 8.588 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.874 5.217 7.400 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.924 6.647 8.116 1.00 0.00 C ATOM 0 H VAL A 36 -8.905 8.466 8.553 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.827 5.926 9.812 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.705 4.963 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.193 4.649 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.664 4.560 7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.315 6.029 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.281 6.050 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.296 7.509 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.353 6.988 8.980 1.00 0.00 H new ATOM 487 N LYS A 37 -8.187 6.194 11.722 1.00 0.00 N ATOM 488 CA LYS A 37 -7.542 6.529 12.981 1.00 0.00 C ATOM 489 C LYS A 37 -6.174 5.848 13.045 1.00 0.00 C ATOM 490 O LYS A 37 -6.046 4.671 12.710 1.00 0.00 O ATOM 491 CB LYS A 37 -8.456 6.184 14.159 1.00 0.00 C ATOM 492 CG LYS A 37 -9.923 6.436 13.806 1.00 0.00 C ATOM 493 CD LYS A 37 -10.495 5.281 12.982 1.00 0.00 C ATOM 494 CE LYS A 37 -11.881 4.878 13.490 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.872 3.476 13.964 1.00 0.00 N ATOM 0 H LYS A 37 -8.503 5.227 11.648 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.367 7.603 13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.319 5.139 14.436 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.179 6.783 15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.505 6.559 14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.011 7.366 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.559 5.574 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.822 4.425 13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.184 5.540 14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.615 4.994 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.820 3.219 14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.603 2.847 13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.186 3.376 14.739 1.00 0.00 H new ATOM 509 N ALA A 38 -5.185 6.617 13.477 1.00 0.00 N ATOM 510 CA ALA A 38 -3.831 6.102 13.589 1.00 0.00 C ATOM 511 C ALA A 38 -3.877 4.670 14.125 1.00 0.00 C ATOM 512 O ALA A 38 -4.257 4.445 15.273 1.00 0.00 O ATOM 513 CB ALA A 38 -3.004 7.032 14.480 1.00 0.00 C ATOM 0 H ALA A 38 -5.295 7.593 13.754 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.349 6.072 12.612 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.988 6.646 14.565 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.978 8.029 14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.456 7.084 15.471 1.00 0.00 H new ATOM 519 N GLY A 39 -3.484 3.739 13.269 1.00 0.00 N ATOM 520 CA GLY A 39 -3.475 2.334 13.642 1.00 0.00 C ATOM 521 C GLY A 39 -4.750 1.633 13.168 1.00 0.00 C ATOM 522 O GLY A 39 -5.371 0.889 13.924 1.00 0.00 O ATOM 0 H GLY A 39 -3.169 3.930 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.603 1.844 13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.386 2.242 14.724 1.00 0.00 H new ATOM 526 N ASP A 40 -5.102 1.897 11.918 1.00 0.00 N ATOM 527 CA ASP A 40 -6.291 1.301 11.334 1.00 0.00 C ATOM 528 C ASP A 40 -5.883 0.389 10.175 1.00 0.00 C ATOM 529 O ASP A 40 -4.973 0.715 9.415 1.00 0.00 O ATOM 530 CB ASP A 40 -7.232 2.374 10.782 1.00 0.00 C ATOM 531 CG ASP A 40 -8.268 2.900 11.778 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.871 3.132 12.940 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.433 3.058 11.354 1.00 0.00 O ATOM 0 H ASP A 40 -4.584 2.516 11.294 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.804 0.739 12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.634 3.213 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.756 1.967 9.917 1.00 0.00 H new ATOM 538 N SER A 41 -6.577 -0.736 10.076 1.00 0.00 N ATOM 539 CA SER A 41 -6.298 -1.697 9.022 1.00 0.00 C ATOM 540 C SER A 41 -6.678 -1.108 7.663 1.00 0.00 C ATOM 541 O SER A 41 -7.818 -1.245 7.220 1.00 0.00 O ATOM 542 CB SER A 41 -7.048 -3.009 9.261 1.00 0.00 C ATOM 543 OG SER A 41 -8.439 -2.887 8.979 1.00 0.00 O ATOM 0 H SER A 41 -7.332 -1.003 10.708 1.00 0.00 H new ATOM 0 HA SER A 41 -5.230 -1.914 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.618 -3.791 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.914 -3.320 10.297 1.00 0.00 H new ATOM 0 HG SER A 41 -8.559 -2.529 8.075 1.00 0.00 H new ATOM 549 N LEU A 42 -5.703 -0.464 7.038 1.00 0.00 N ATOM 550 CA LEU A 42 -5.922 0.147 5.738 1.00 0.00 C ATOM 551 C LEU A 42 -6.248 -0.944 4.716 1.00 0.00 C ATOM 552 O LEU A 42 -7.387 -1.056 4.264 1.00 0.00 O ATOM 553 CB LEU A 42 -4.726 1.018 5.347 1.00 0.00 C ATOM 554 CG LEU A 42 -4.319 2.091 6.358 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.071 2.842 5.889 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.484 3.040 6.649 1.00 0.00 C ATOM 0 H LEU A 42 -4.759 -0.352 7.408 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.779 0.820 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.869 0.367 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.952 1.507 4.399 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.064 1.597 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.803 3.599 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.245 2.140 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.274 3.323 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.168 3.793 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.794 3.529 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.321 2.474 7.058 1.00 0.00 H new ATOM 568 N MET A 43 -5.229 -1.721 4.381 1.00 0.00 N ATOM 569 CA MET A 43 -5.393 -2.799 3.420 1.00 0.00 C ATOM 570 C MET A 43 -4.606 -4.039 3.848 1.00 0.00 C ATOM 571 O MET A 43 -3.896 -4.012 4.852 1.00 0.00 O ATOM 572 CB MET A 43 -4.908 -2.335 2.045 1.00 0.00 C ATOM 573 CG MET A 43 -5.708 -1.123 1.562 1.00 0.00 C ATOM 574 SD MET A 43 -4.610 0.253 1.265 1.00 0.00 S ATOM 575 CE MET A 43 -4.118 -0.099 -0.414 1.00 0.00 C ATOM 0 H MET A 43 -4.286 -1.626 4.758 1.00 0.00 H new ATOM 0 HA MET A 43 -6.450 -3.061 3.373 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.849 -2.080 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.006 -3.149 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.247 -1.373 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.455 -0.849 2.307 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.483 0.706 -0.783 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.566 -1.039 -0.442 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.004 -0.180 -1.044 1.00 0.00 H new ATOM 585 N VAL A 44 -4.759 -5.097 3.065 1.00 0.00 N ATOM 586 CA VAL A 44 -4.072 -6.345 3.350 1.00 0.00 C ATOM 587 C VAL A 44 -3.280 -6.779 2.115 1.00 0.00 C ATOM 588 O VAL A 44 -3.806 -6.776 1.003 1.00 0.00 O ATOM 589 CB VAL A 44 -5.076 -7.400 3.818 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.397 -8.758 4.006 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.779 -6.956 5.103 1.00 0.00 C ATOM 0 H VAL A 44 -5.349 -5.115 2.233 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.359 -6.212 4.163 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.834 -7.509 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.133 -9.490 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.965 -9.083 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.609 -8.670 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.487 -7.724 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.039 -6.805 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.312 -6.023 4.922 1.00 0.00 H new ATOM 601 N MET A 45 -2.028 -7.144 2.353 1.00 0.00 N ATOM 602 CA MET A 45 -1.159 -7.580 1.274 1.00 0.00 C ATOM 603 C MET A 45 -0.777 -9.053 1.438 1.00 0.00 C ATOM 604 O MET A 45 -1.024 -9.648 2.486 1.00 0.00 O ATOM 605 CB MET A 45 0.108 -6.723 1.260 1.00 0.00 C ATOM 606 CG MET A 45 -0.131 -5.402 0.525 1.00 0.00 C ATOM 607 SD MET A 45 1.347 -4.402 0.571 1.00 0.00 S ATOM 608 CE MET A 45 2.311 -5.215 -0.692 1.00 0.00 C ATOM 0 H MET A 45 -1.596 -7.146 3.277 1.00 0.00 H new ATOM 0 HA MET A 45 -1.696 -7.466 0.332 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.426 -6.522 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.917 -7.271 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.416 -5.598 -0.509 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.959 -4.864 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.112 -4.553 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.741 -6.132 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.670 -5.458 -1.539 1.00 0.00 H new ATOM 618 N ILE A 46 -0.182 -9.598 0.388 1.00 0.00 N ATOM 619 CA ILE A 46 0.236 -10.989 0.402 1.00 0.00 C ATOM 620 C ILE A 46 1.654 -11.097 -0.161 1.00 0.00 C ATOM 621 O ILE A 46 1.908 -10.694 -1.295 1.00 0.00 O ATOM 622 CB ILE A 46 -0.785 -11.863 -0.329 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.157 -11.783 0.343 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.287 -13.305 -0.447 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.198 -12.641 1.609 1.00 0.00 C ATOM 0 H ILE A 46 0.021 -9.101 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 46 0.269 -11.366 1.424 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.901 -11.478 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.383 -10.747 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.927 -12.118 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.031 -13.905 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.650 -13.322 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.124 -13.716 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.184 -12.566 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.996 -13.680 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.444 -12.288 2.312 1.00 0.00 H new ATOM 637 N ALA A 47 2.542 -11.643 0.657 1.00 0.00 N ATOM 638 CA ALA A 47 3.928 -11.810 0.255 1.00 0.00 C ATOM 639 C ALA A 47 4.334 -13.274 0.433 1.00 0.00 C ATOM 640 O ALA A 47 4.482 -14.004 -0.546 1.00 0.00 O ATOM 641 CB ALA A 47 4.812 -10.857 1.062 1.00 0.00 C ATOM 0 H ALA A 47 2.328 -11.976 1.597 1.00 0.00 H new ATOM 0 HA ALA A 47 4.055 -11.559 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.852 -10.982 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.502 -9.829 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.713 -11.080 2.124 1.00 0.00 H new ATOM 647 N MET A 48 4.503 -13.660 1.689 1.00 0.00 N ATOM 648 CA MET A 48 4.889 -15.024 2.008 1.00 0.00 C ATOM 649 C MET A 48 3.690 -15.829 2.511 1.00 0.00 C ATOM 650 O MET A 48 3.677 -16.280 3.656 1.00 0.00 O ATOM 651 CB MET A 48 5.981 -15.008 3.080 1.00 0.00 C ATOM 652 CG MET A 48 7.282 -14.423 2.528 1.00 0.00 C ATOM 653 SD MET A 48 8.660 -15.461 2.986 1.00 0.00 S ATOM 654 CE MET A 48 9.951 -14.712 2.007 1.00 0.00 C ATOM 0 H MET A 48 4.380 -13.052 2.498 1.00 0.00 H new ATOM 0 HA MET A 48 5.265 -15.497 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.648 -14.420 3.935 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.158 -16.022 3.440 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.222 -14.342 1.443 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.431 -13.415 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.889 -15.242 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.686 -14.768 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.068 -13.668 2.297 1.00 0.00 H new ATOM 664 N LYS A 49 2.712 -15.987 1.632 1.00 0.00 N ATOM 665 CA LYS A 49 1.511 -16.730 1.973 1.00 0.00 C ATOM 666 C LYS A 49 0.998 -16.264 3.337 1.00 0.00 C ATOM 667 O LYS A 49 0.361 -17.030 4.059 1.00 0.00 O ATOM 668 CB LYS A 49 1.773 -18.236 1.896 1.00 0.00 C ATOM 669 CG LYS A 49 1.142 -18.839 0.640 1.00 0.00 C ATOM 670 CD LYS A 49 -0.312 -19.241 0.896 1.00 0.00 C ATOM 671 CE LYS A 49 -1.126 -19.208 -0.400 1.00 0.00 C ATOM 672 NZ LYS A 49 -2.558 -18.977 -0.106 1.00 0.00 N ATOM 0 H LYS A 49 2.727 -15.613 0.683 1.00 0.00 H new ATOM 0 HA LYS A 49 0.721 -16.530 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.847 -18.422 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.367 -18.725 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.185 -18.117 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.714 -19.711 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.346 -20.242 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.757 -18.565 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.751 -18.420 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.006 -20.149 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.096 -18.957 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.916 -19.744 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.669 -18.067 0.386 1.00 0.00 H new ATOM 686 N MET A 50 1.293 -15.010 3.648 1.00 0.00 N ATOM 687 CA MET A 50 0.870 -14.433 4.912 1.00 0.00 C ATOM 688 C MET A 50 0.117 -13.120 4.690 1.00 0.00 C ATOM 689 O MET A 50 0.415 -12.379 3.754 1.00 0.00 O ATOM 690 CB MET A 50 2.095 -14.177 5.792 1.00 0.00 C ATOM 691 CG MET A 50 2.563 -15.467 6.469 1.00 0.00 C ATOM 692 SD MET A 50 1.903 -15.563 8.124 1.00 0.00 S ATOM 693 CE MET A 50 0.586 -16.739 7.866 1.00 0.00 C ATOM 0 H MET A 50 1.820 -14.378 3.046 1.00 0.00 H new ATOM 0 HA MET A 50 0.199 -15.136 5.405 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.903 -13.766 5.186 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.854 -13.431 6.550 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.238 -16.330 5.889 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.652 -15.496 6.501 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.254 -17.130 8.828 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.248 -16.247 7.366 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.947 -17.560 7.246 1.00 0.00 H new ATOM 703 N GLU A 51 -0.845 -12.871 5.567 1.00 0.00 N ATOM 704 CA GLU A 51 -1.643 -11.660 5.478 1.00 0.00 C ATOM 705 C GLU A 51 -0.995 -10.537 6.291 1.00 0.00 C ATOM 706 O GLU A 51 -0.900 -10.627 7.514 1.00 0.00 O ATOM 707 CB GLU A 51 -3.079 -11.914 5.942 1.00 0.00 C ATOM 708 CG GLU A 51 -3.649 -13.176 5.292 1.00 0.00 C ATOM 709 CD GLU A 51 -3.521 -14.380 6.229 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.030 -14.271 7.365 1.00 0.00 O ATOM 711 OE2 GLU A 51 -2.917 -15.381 5.787 1.00 0.00 O ATOM 0 H GLU A 51 -1.090 -13.487 6.342 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.683 -11.350 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.102 -12.017 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.704 -11.057 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.697 -13.017 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.123 -13.379 4.359 1.00 0.00 H new ATOM 718 N HIS A 52 -0.567 -9.505 5.579 1.00 0.00 N ATOM 719 CA HIS A 52 0.069 -8.366 6.219 1.00 0.00 C ATOM 720 C HIS A 52 -0.951 -7.238 6.390 1.00 0.00 C ATOM 721 O HIS A 52 -1.514 -6.752 5.411 1.00 0.00 O ATOM 722 CB HIS A 52 1.311 -7.929 5.440 1.00 0.00 C ATOM 723 CG HIS A 52 2.057 -9.066 4.785 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.562 -10.140 5.497 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.378 -9.287 3.478 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.159 -10.963 4.647 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.044 -10.432 3.396 1.00 0.00 N ATOM 0 H HIS A 52 -0.648 -9.434 4.565 1.00 0.00 H new ATOM 0 HA HIS A 52 0.416 -8.649 7.213 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.013 -7.214 4.673 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.987 -7.407 6.117 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.487 -10.275 6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.132 -8.639 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.650 -11.891 4.900 1.00 0.00 H new ATOM 735 N THR A 53 -1.157 -6.856 7.642 1.00 0.00 N ATOM 736 CA THR A 53 -2.099 -5.795 7.954 1.00 0.00 C ATOM 737 C THR A 53 -1.393 -4.437 7.953 1.00 0.00 C ATOM 738 O THR A 53 -0.727 -4.079 8.924 1.00 0.00 O ATOM 739 CB THR A 53 -2.765 -6.132 9.290 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.295 -7.440 9.093 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.998 -5.268 9.564 1.00 0.00 C ATOM 0 H THR A 53 -0.688 -7.262 8.452 1.00 0.00 H new ATOM 0 HA THR A 53 -2.878 -5.722 7.195 1.00 0.00 H new ATOM 0 HB THR A 53 -2.044 -6.003 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.743 -7.738 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.432 -5.548 10.524 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.708 -4.218 9.589 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.733 -5.422 8.774 1.00 0.00 H new ATOM 749 N ILE A 54 -1.563 -3.719 6.853 1.00 0.00 N ATOM 750 CA ILE A 54 -0.950 -2.409 6.713 1.00 0.00 C ATOM 751 C ILE A 54 -1.666 -1.415 7.630 1.00 0.00 C ATOM 752 O ILE A 54 -2.735 -0.910 7.289 1.00 0.00 O ATOM 753 CB ILE A 54 -0.926 -1.983 5.244 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.212 -2.676 4.491 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.854 -0.460 5.115 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.207 -4.072 4.028 1.00 0.00 C ATOM 0 H ILE A 54 -2.116 -4.019 6.050 1.00 0.00 H new ATOM 0 HA ILE A 54 0.093 -2.441 7.029 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.860 -2.301 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.502 -2.075 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.087 -2.750 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.838 -0.185 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.725 -0.013 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.053 -0.096 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.620 -4.542 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.473 -4.678 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.067 -3.992 3.364 1.00 0.00 H new ATOM 768 N LYS A 55 -1.049 -1.163 8.774 1.00 0.00 N ATOM 769 CA LYS A 55 -1.614 -0.239 9.742 1.00 0.00 C ATOM 770 C LYS A 55 -1.260 1.194 9.339 1.00 0.00 C ATOM 771 O LYS A 55 -0.131 1.469 8.938 1.00 0.00 O ATOM 772 CB LYS A 55 -1.169 -0.607 11.159 1.00 0.00 C ATOM 773 CG LYS A 55 -1.875 -1.875 11.643 1.00 0.00 C ATOM 774 CD LYS A 55 -2.799 -1.571 12.824 1.00 0.00 C ATOM 775 CE LYS A 55 -3.659 -2.787 13.174 1.00 0.00 C ATOM 776 NZ LYS A 55 -5.089 -2.410 13.236 1.00 0.00 N ATOM 0 H LYS A 55 -0.162 -1.583 9.053 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.702 -0.311 9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.090 -0.758 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.387 0.217 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.453 -2.308 10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.134 -2.618 11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.205 -1.280 13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.441 -0.725 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.515 -3.569 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.344 -3.199 14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.593 -3.062 13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.177 -1.439 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.504 -2.463 12.284 1.00 0.00 H new ATOM 790 N SER A 56 -2.247 2.070 9.461 1.00 0.00 N ATOM 791 CA SER A 56 -2.054 3.468 9.115 1.00 0.00 C ATOM 792 C SER A 56 -0.902 4.055 9.932 1.00 0.00 C ATOM 793 O SER A 56 -0.728 3.714 11.101 1.00 0.00 O ATOM 794 CB SER A 56 -3.333 4.275 9.345 1.00 0.00 C ATOM 795 OG SER A 56 -3.563 5.221 8.305 1.00 0.00 O ATOM 0 H SER A 56 -3.183 1.838 9.795 1.00 0.00 H new ATOM 0 HA SER A 56 -1.806 3.526 8.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.183 3.596 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.266 4.796 10.300 1.00 0.00 H new ATOM 0 HG SER A 56 -3.478 6.129 8.664 1.00 0.00 H new ATOM 801 N PRO A 57 -0.124 4.952 9.267 1.00 0.00 N ATOM 802 CA PRO A 57 1.007 5.590 9.920 1.00 0.00 C ATOM 803 C PRO A 57 0.538 6.669 10.898 1.00 0.00 C ATOM 804 O PRO A 57 1.183 6.911 11.917 1.00 0.00 O ATOM 805 CB PRO A 57 1.854 6.143 8.786 1.00 0.00 C ATOM 806 CG PRO A 57 0.940 6.203 7.573 1.00 0.00 C ATOM 807 CD PRO A 57 -0.300 5.380 7.883 1.00 0.00 C ATOM 0 HA PRO A 57 1.586 4.898 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.240 7.132 9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.716 5.503 8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.668 7.235 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.448 5.811 6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.208 5.971 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.386 4.525 7.212 1.00 0.00 H new ATOM 815 N LYS A 58 -0.581 7.289 10.553 1.00 0.00 N ATOM 816 CA LYS A 58 -1.143 8.337 11.388 1.00 0.00 C ATOM 817 C LYS A 58 -2.616 8.537 11.024 1.00 0.00 C ATOM 818 O LYS A 58 -3.171 7.781 10.228 1.00 0.00 O ATOM 819 CB LYS A 58 -0.305 9.613 11.283 1.00 0.00 C ATOM 820 CG LYS A 58 -0.313 10.158 9.854 1.00 0.00 C ATOM 821 CD LYS A 58 -0.767 11.619 9.826 1.00 0.00 C ATOM 822 CE LYS A 58 -1.050 12.079 8.395 1.00 0.00 C ATOM 823 NZ LYS A 58 -2.302 12.866 8.341 1.00 0.00 N ATOM 0 H LYS A 58 -1.113 7.086 9.707 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.110 8.047 12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.697 10.367 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.720 9.406 11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.685 10.076 9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.977 9.555 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.664 11.736 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.003 12.251 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.219 12.682 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.129 11.213 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.578 13.011 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.057 12.352 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.152 13.789 8.797 1.00 0.00 H new ATOM 837 N ASP A 59 -3.207 9.559 11.626 1.00 0.00 N ATOM 838 CA ASP A 59 -4.605 9.868 11.376 1.00 0.00 C ATOM 839 C ASP A 59 -4.699 10.940 10.289 1.00 0.00 C ATOM 840 O ASP A 59 -3.931 11.901 10.291 1.00 0.00 O ATOM 841 CB ASP A 59 -5.283 10.411 12.635 1.00 0.00 C ATOM 842 CG ASP A 59 -4.388 11.267 13.533 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.387 10.710 14.034 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.725 12.459 13.700 1.00 0.00 O ATOM 0 H ASP A 59 -2.743 10.183 12.286 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.103 8.949 11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.147 11.005 12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.660 9.571 13.218 1.00 0.00 H new ATOM 849 N GLY A 60 -5.647 10.740 9.385 1.00 0.00 N ATOM 850 CA GLY A 60 -5.851 11.677 8.294 1.00 0.00 C ATOM 851 C GLY A 60 -6.959 11.194 7.356 1.00 0.00 C ATOM 852 O GLY A 60 -7.588 10.168 7.609 1.00 0.00 O ATOM 0 H GLY A 60 -6.283 9.942 9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.111 12.657 8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.923 11.797 7.735 1.00 0.00 H new ATOM 856 N THR A 61 -7.164 11.957 6.292 1.00 0.00 N ATOM 857 CA THR A 61 -8.185 11.619 5.315 1.00 0.00 C ATOM 858 C THR A 61 -7.541 11.127 4.018 1.00 0.00 C ATOM 859 O THR A 61 -6.733 11.832 3.415 1.00 0.00 O ATOM 860 CB THR A 61 -9.079 12.846 5.122 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.842 12.913 6.323 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.126 12.642 4.025 1.00 0.00 C ATOM 0 H THR A 61 -6.641 12.808 6.085 1.00 0.00 H new ATOM 0 HA THR A 61 -8.808 10.796 5.664 1.00 0.00 H new ATOM 0 HB THR A 61 -8.461 13.710 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.448 13.682 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.733 13.542 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.626 12.439 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.766 11.799 4.285 1.00 0.00 H new ATOM 870 N VAL A 62 -7.921 9.919 3.627 1.00 0.00 N ATOM 871 CA VAL A 62 -7.390 9.324 2.412 1.00 0.00 C ATOM 872 C VAL A 62 -7.925 10.088 1.199 1.00 0.00 C ATOM 873 O VAL A 62 -9.108 9.994 0.875 1.00 0.00 O ATOM 874 CB VAL A 62 -7.722 7.831 2.373 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.211 7.190 1.081 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.161 7.112 3.601 1.00 0.00 C ATOM 0 H VAL A 62 -8.590 9.336 4.130 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.303 9.402 2.391 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.807 7.728 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.460 6.129 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.679 7.675 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.129 7.309 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.411 6.052 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.078 7.228 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.594 7.542 4.504 1.00 0.00 H new ATOM 886 N LYS A 63 -7.028 10.826 0.562 1.00 0.00 N ATOM 887 CA LYS A 63 -7.396 11.605 -0.608 1.00 0.00 C ATOM 888 C LYS A 63 -7.736 10.657 -1.760 1.00 0.00 C ATOM 889 O LYS A 63 -8.745 10.839 -2.441 1.00 0.00 O ATOM 890 CB LYS A 63 -6.296 12.614 -0.947 1.00 0.00 C ATOM 891 CG LYS A 63 -6.627 13.374 -2.233 1.00 0.00 C ATOM 892 CD LYS A 63 -5.695 14.574 -2.415 1.00 0.00 C ATOM 893 CE LYS A 63 -6.340 15.639 -3.305 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.358 16.163 -4.280 1.00 0.00 N ATOM 0 H LYS A 63 -6.048 10.901 0.834 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.289 12.196 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.178 13.319 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.344 12.095 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.536 12.705 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.662 13.714 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.456 15.004 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.755 14.245 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.193 15.213 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.721 16.454 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.812 16.884 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.557 16.588 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.015 15.385 -4.879 1.00 0.00 H new ATOM 908 N LYS A 64 -6.876 9.666 -1.943 1.00 0.00 N ATOM 909 CA LYS A 64 -7.074 8.690 -3.001 1.00 0.00 C ATOM 910 C LYS A 64 -6.237 7.444 -2.702 1.00 0.00 C ATOM 911 O LYS A 64 -5.510 7.404 -1.710 1.00 0.00 O ATOM 912 CB LYS A 64 -6.782 9.313 -4.367 1.00 0.00 C ATOM 913 CG LYS A 64 -5.552 10.221 -4.304 1.00 0.00 C ATOM 914 CD LYS A 64 -4.482 9.763 -5.297 1.00 0.00 C ATOM 915 CE LYS A 64 -4.645 10.470 -6.644 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.335 10.610 -7.318 1.00 0.00 N ATOM 0 H LYS A 64 -6.041 9.518 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.117 8.374 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.620 8.525 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.646 9.888 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.842 11.248 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.142 10.215 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.492 9.970 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.550 8.684 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.328 9.904 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.090 11.454 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.464 11.092 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.694 11.169 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.925 9.668 -7.479 1.00 0.00 H new ATOM 930 N VAL A 65 -6.366 6.459 -3.578 1.00 0.00 N ATOM 931 CA VAL A 65 -5.631 5.216 -3.420 1.00 0.00 C ATOM 932 C VAL A 65 -4.655 5.054 -4.587 1.00 0.00 C ATOM 933 O VAL A 65 -4.683 5.835 -5.537 1.00 0.00 O ATOM 934 CB VAL A 65 -6.606 4.044 -3.290 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.891 2.790 -2.782 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.784 4.409 -2.385 1.00 0.00 C ATOM 0 H VAL A 65 -6.969 6.496 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.042 5.235 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.001 3.825 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.606 1.972 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.102 2.512 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.454 2.991 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.462 3.559 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.414 4.667 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.317 5.261 -2.807 1.00 0.00 H new ATOM 946 N PHE A 66 -3.814 4.036 -4.478 1.00 0.00 N ATOM 947 CA PHE A 66 -2.831 3.762 -5.512 1.00 0.00 C ATOM 948 C PHE A 66 -2.998 2.346 -6.065 1.00 0.00 C ATOM 949 O PHE A 66 -2.849 2.123 -7.266 1.00 0.00 O ATOM 950 CB PHE A 66 -1.452 3.884 -4.861 1.00 0.00 C ATOM 951 CG PHE A 66 -0.966 5.326 -4.697 1.00 0.00 C ATOM 952 CD1 PHE A 66 -0.521 6.021 -5.778 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.981 5.912 -3.470 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.070 7.359 -5.625 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.530 7.250 -3.317 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.085 7.945 -4.398 1.00 0.00 C ATOM 0 H PHE A 66 -3.793 3.390 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.954 4.462 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.481 3.408 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.728 3.334 -5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.511 5.556 -6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.336 5.360 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.285 7.911 -6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.540 7.715 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.257 8.963 -4.282 1.00 0.00 H new ATOM 966 N TYR A 67 -3.303 1.424 -5.163 1.00 0.00 N ATOM 967 CA TYR A 67 -3.492 0.036 -5.546 1.00 0.00 C ATOM 968 C TYR A 67 -4.835 -0.495 -5.041 1.00 0.00 C ATOM 969 O TYR A 67 -5.363 -0.007 -4.043 1.00 0.00 O ATOM 970 CB TYR A 67 -2.362 -0.745 -4.872 1.00 0.00 C ATOM 971 CG TYR A 67 -0.971 -0.432 -5.429 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.683 -0.696 -6.752 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.005 0.113 -4.607 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.626 -0.402 -7.276 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.303 0.407 -5.132 1.00 0.00 C ATOM 976 CZ TYR A 67 1.554 0.135 -6.440 1.00 0.00 C ATOM 977 OH TYR A 67 2.790 0.412 -6.935 1.00 0.00 O ATOM 0 H TYR A 67 -3.424 1.612 -4.168 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.482 -0.067 -6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.372 -0.529 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.555 -1.812 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.439 -1.123 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.230 0.319 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.865 -0.604 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.068 0.834 -4.501 1.00 0.00 H new ATOM 0 HH TYR A 67 2.763 1.259 -7.426 1.00 0.00 H new ATOM 987 N ARG A 68 -5.348 -1.488 -5.752 1.00 0.00 N ATOM 988 CA ARG A 68 -6.619 -2.091 -5.388 1.00 0.00 C ATOM 989 C ARG A 68 -6.449 -3.595 -5.166 1.00 0.00 C ATOM 990 O ARG A 68 -5.335 -4.114 -5.229 1.00 0.00 O ATOM 991 CB ARG A 68 -7.670 -1.859 -6.475 1.00 0.00 C ATOM 992 CG ARG A 68 -8.124 -0.398 -6.496 1.00 0.00 C ATOM 993 CD ARG A 68 -9.603 -0.289 -6.873 1.00 0.00 C ATOM 994 NE ARG A 68 -9.814 0.877 -7.760 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.836 2.148 -7.337 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.659 2.425 -6.038 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.035 3.143 -8.213 1.00 0.00 N ATOM 0 H ARG A 68 -4.906 -1.890 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.957 -1.620 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.258 -2.130 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.528 -2.508 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.961 0.051 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.521 0.164 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.927 -1.201 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.210 -0.187 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.951 0.702 -8.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.507 1.668 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.676 3.393 -5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.170 2.933 -9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.052 4.111 -7.891 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.570 -4.254 -4.910 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.559 -5.688 -4.678 1.00 0.00 C ATOM 1013 C GLU A 69 -6.871 -6.408 -5.839 1.00 0.00 C ATOM 1014 O GLU A 69 -6.964 -5.974 -6.986 1.00 0.00 O ATOM 1015 CB GLU A 69 -8.977 -6.220 -4.466 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.438 -5.993 -3.025 1.00 0.00 C ATOM 1017 CD GLU A 69 -10.929 -6.303 -2.870 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.311 -7.440 -3.223 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.652 -5.397 -2.404 1.00 0.00 O ATOM 0 H GLU A 69 -8.492 -3.821 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.993 -5.885 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.662 -5.723 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.008 -7.285 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.860 -6.625 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.246 -4.960 -2.737 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.195 -7.497 -5.501 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.492 -8.282 -6.501 1.00 0.00 C ATOM 1028 C GLY A 70 -4.526 -7.408 -7.304 1.00 0.00 C ATOM 1029 O GLY A 70 -4.465 -7.507 -8.529 1.00 0.00 O ATOM 0 H GLY A 70 -6.120 -7.854 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.941 -9.087 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.211 -8.749 -7.174 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.794 -6.572 -6.582 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.834 -5.682 -7.211 1.00 0.00 C ATOM 1035 C ALA A 71 -1.443 -5.946 -6.631 1.00 0.00 C ATOM 1036 O ALA A 71 -1.317 -6.443 -5.513 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.280 -4.231 -7.018 1.00 0.00 C ATOM 0 H ALA A 71 -3.847 -6.493 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.784 -5.868 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.560 -3.563 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.260 -4.088 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.339 -4.007 -5.953 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.434 -5.603 -7.418 1.00 0.00 N ATOM 1044 CA GLN A 72 0.943 -5.797 -6.997 1.00 0.00 C ATOM 1045 C GLN A 72 1.612 -4.447 -6.732 1.00 0.00 C ATOM 1046 O GLN A 72 1.450 -3.507 -7.509 1.00 0.00 O ATOM 1047 CB GLN A 72 1.726 -6.603 -8.035 1.00 0.00 C ATOM 1048 CG GLN A 72 3.233 -6.449 -7.826 1.00 0.00 C ATOM 1049 CD GLN A 72 4.000 -7.585 -8.507 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.549 -8.184 -9.469 1.00 0.00 O ATOM 1051 NE2 GLN A 72 5.182 -7.846 -7.955 1.00 0.00 N ATOM 0 H GLN A 72 -0.543 -5.192 -8.345 1.00 0.00 H new ATOM 0 HA GLN A 72 0.941 -6.368 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.451 -7.656 -7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.458 -6.269 -9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.563 -5.491 -8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.457 -6.442 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.499 -7.306 -7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.771 -8.586 -8.337 1.00 0.00 H new ATOM 1060 N ALA A 73 2.351 -4.394 -5.634 1.00 0.00 N ATOM 1061 CA ALA A 73 3.046 -3.174 -5.257 1.00 0.00 C ATOM 1062 C ALA A 73 4.408 -3.533 -4.659 1.00 0.00 C ATOM 1063 O ALA A 73 4.492 -4.349 -3.743 1.00 0.00 O ATOM 1064 CB ALA A 73 2.177 -2.370 -4.288 1.00 0.00 C ATOM 0 H ALA A 73 2.484 -5.176 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 73 3.224 -2.548 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.698 -1.455 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.233 -2.116 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.980 -2.965 -3.397 1.00 0.00 H new ATOM 1070 N ASN A 74 5.440 -2.903 -5.201 1.00 0.00 N ATOM 1071 CA ASN A 74 6.794 -3.145 -4.733 1.00 0.00 C ATOM 1072 C ASN A 74 6.953 -2.566 -3.325 1.00 0.00 C ATOM 1073 O ASN A 74 6.194 -1.687 -2.923 1.00 0.00 O ATOM 1074 CB ASN A 74 7.821 -2.468 -5.642 1.00 0.00 C ATOM 1075 CG ASN A 74 8.732 -3.502 -6.306 1.00 0.00 C ATOM 1076 OD1 ASN A 74 8.906 -4.611 -5.830 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.301 -3.078 -7.431 1.00 0.00 N ATOM 0 H ASN A 74 5.366 -2.225 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 74 6.965 -4.222 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.307 -1.886 -6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.422 -1.769 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.926 -3.695 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.112 -2.136 -7.774 1.00 0.00 H new ATOM 1084 N ARG A 75 7.946 -3.083 -2.616 1.00 0.00 N ATOM 1085 CA ARG A 75 8.214 -2.628 -1.262 1.00 0.00 C ATOM 1086 C ARG A 75 8.769 -1.203 -1.282 1.00 0.00 C ATOM 1087 O ARG A 75 9.887 -0.962 -0.829 1.00 0.00 O ATOM 1088 CB ARG A 75 9.215 -3.548 -0.561 1.00 0.00 C ATOM 1089 CG ARG A 75 9.354 -3.181 0.918 1.00 0.00 C ATOM 1090 CD ARG A 75 10.360 -4.097 1.619 1.00 0.00 C ATOM 1091 NE ARG A 75 11.737 -3.747 1.206 1.00 0.00 N ATOM 1092 CZ ARG A 75 12.351 -4.255 0.128 1.00 0.00 C ATOM 1093 NH1 ARG A 75 11.713 -5.139 -0.651 1.00 0.00 N ATOM 1094 NH2 ARG A 75 13.602 -3.879 -0.170 1.00 0.00 N ATOM 0 H ARG A 75 8.574 -3.812 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 75 7.273 -2.647 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.889 -4.584 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.186 -3.475 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.676 -2.144 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.384 -3.258 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.260 -4.000 2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.151 -5.138 1.371 1.00 0.00 H new ATOM 0 HE ARG A 75 12.252 -3.077 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.761 -5.425 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.180 -5.526 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.087 -3.206 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.069 -4.266 -0.990 1.00 0.00 H new ATOM 1108 N HIS A 76 7.963 -0.295 -1.811 1.00 0.00 N ATOM 1109 CA HIS A 76 8.359 1.101 -1.896 1.00 0.00 C ATOM 1110 C HIS A 76 7.187 1.937 -2.411 1.00 0.00 C ATOM 1111 O HIS A 76 6.962 3.053 -1.945 1.00 0.00 O ATOM 1112 CB HIS A 76 9.619 1.257 -2.749 1.00 0.00 C ATOM 1113 CG HIS A 76 9.720 2.585 -3.459 1.00 0.00 C ATOM 1114 ND1 HIS A 76 10.887 3.327 -3.502 1.00 0.00 N ATOM 1115 CD2 HIS A 76 8.786 3.297 -4.155 1.00 0.00 C ATOM 1116 CE1 HIS A 76 10.656 4.433 -4.193 1.00 0.00 C ATOM 1117 NE2 HIS A 76 9.353 4.413 -4.597 1.00 0.00 N ATOM 0 H HIS A 76 7.036 -0.499 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 76 8.615 1.471 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.494 1.130 -2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.645 0.458 -3.490 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.760 3.002 -4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.373 5.214 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.891 5.136 -5.148 1.00 0.00 H new ATOM 1125 N THR A 77 6.469 1.366 -3.368 1.00 0.00 N ATOM 1126 CA THR A 77 5.325 2.045 -3.952 1.00 0.00 C ATOM 1127 C THR A 77 4.289 2.368 -2.874 1.00 0.00 C ATOM 1128 O THR A 77 4.181 1.654 -1.878 1.00 0.00 O ATOM 1129 CB THR A 77 4.777 1.165 -5.078 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.232 0.035 -4.401 1.00 0.00 O ATOM 1131 CG2 THR A 77 5.886 0.575 -5.953 1.00 0.00 C ATOM 0 H THR A 77 6.658 0.441 -3.753 1.00 0.00 H new ATOM 0 HA THR A 77 5.611 3.005 -4.381 1.00 0.00 H new ATOM 0 HB THR A 77 4.098 1.750 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.960 -0.518 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.443 -0.041 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.459 1.383 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.546 -0.038 -5.339 1.00 0.00 H new ATOM 1139 N PRO A 78 3.534 3.473 -3.116 1.00 0.00 N ATOM 1140 CA PRO A 78 2.510 3.899 -2.177 1.00 0.00 C ATOM 1141 C PRO A 78 1.278 2.996 -2.262 1.00 0.00 C ATOM 1142 O PRO A 78 1.005 2.408 -3.308 1.00 0.00 O ATOM 1143 CB PRO A 78 2.214 5.343 -2.547 1.00 0.00 C ATOM 1144 CG PRO A 78 2.739 5.527 -3.962 1.00 0.00 C ATOM 1145 CD PRO A 78 3.634 4.342 -4.284 1.00 0.00 C ATOM 0 HA PRO A 78 2.834 3.826 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.144 5.547 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.702 6.031 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.913 5.586 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.296 6.460 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.303 3.830 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.663 4.658 -4.455 1.00 0.00 H new ATOM 1153 N LEU A 79 0.566 2.913 -1.148 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.631 2.092 -1.083 1.00 0.00 C ATOM 1155 C LEU A 79 -1.865 2.996 -1.088 1.00 0.00 C ATOM 1156 O LEU A 79 -2.761 2.825 -1.915 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.567 1.145 0.117 1.00 0.00 C ATOM 1158 CG LEU A 79 0.776 0.451 0.352 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.961 0.101 1.830 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.925 -0.776 -0.550 1.00 0.00 C ATOM 0 H LEU A 79 0.795 3.401 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.701 1.451 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.824 1.709 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.332 0.379 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 79 1.571 1.147 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.923 -0.391 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.930 1.013 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.162 -0.568 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.888 -1.250 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.124 -1.484 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.869 -0.469 -1.594 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.874 3.937 -0.156 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.984 4.868 -0.043 1.00 0.00 C ATOM 1174 C VAL A 80 -2.441 6.297 0.020 1.00 0.00 C ATOM 1175 O VAL A 80 -1.421 6.550 0.659 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.851 4.504 1.164 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.990 3.567 0.758 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -3.005 3.887 2.280 1.00 0.00 C ATOM 0 H VAL A 80 -1.130 4.075 0.528 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.628 4.803 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.294 5.423 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.591 3.324 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.617 4.057 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.575 2.651 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.645 3.637 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.521 2.982 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.245 4.601 2.598 1.00 0.00 H new ATOM 1188 N GLU A 81 -3.148 7.194 -0.652 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.750 8.591 -0.680 1.00 0.00 C ATOM 1190 C GLU A 81 -3.518 9.384 0.378 1.00 0.00 C ATOM 1191 O GLU A 81 -4.748 9.375 0.394 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.956 9.192 -2.072 1.00 0.00 C ATOM 1193 CG GLU A 81 -2.881 10.719 -2.027 1.00 0.00 C ATOM 1194 CD GLU A 81 -2.052 11.262 -3.194 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.854 10.914 -3.249 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -2.637 12.014 -4.003 1.00 0.00 O ATOM 0 H GLU A 81 -3.994 6.980 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.687 8.650 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.198 8.807 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.925 8.883 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.887 11.137 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.439 11.037 -1.083 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.762 10.050 1.238 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.357 10.847 2.298 1.00 0.00 C ATOM 1205 C PHE A 82 -3.577 12.290 1.841 1.00 0.00 C ATOM 1206 O PHE A 82 -2.890 12.772 0.942 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.373 10.839 3.469 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.506 9.621 4.386 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.675 9.387 5.041 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.456 8.772 4.545 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.798 8.257 5.891 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.579 7.642 5.396 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.748 7.408 6.051 1.00 0.00 C ATOM 0 H PHE A 82 -1.742 10.054 1.223 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.325 10.432 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.357 10.876 3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.520 11.743 4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.509 10.061 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.528 8.957 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.726 8.071 6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.744 6.968 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.842 6.548 6.698 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.537 12.940 2.482 1.00 0.00 N ATOM 1224 CA GLU A 83 -4.856 14.319 2.154 1.00 0.00 C ATOM 1225 C GLU A 83 -3.728 15.248 2.609 1.00 0.00 C ATOM 1226 O GLU A 83 -2.906 14.869 3.442 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.192 14.735 2.771 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.366 14.143 1.989 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.714 15.014 0.780 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.784 15.677 0.272 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.902 14.996 0.391 1.00 0.00 O ATOM 0 H GLU A 83 -5.105 12.537 3.227 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.953 14.401 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.237 14.402 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.269 15.822 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.115 13.136 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.235 14.056 2.641 1.00 0.00 H new ATOM 1238 N GLU A 84 -3.727 16.446 2.044 1.00 0.00 N ATOM 1239 CA GLU A 84 -2.714 17.432 2.381 1.00 0.00 C ATOM 1240 C GLU A 84 -2.788 17.780 3.869 1.00 0.00 C ATOM 1241 O GLU A 84 -3.875 17.857 4.439 1.00 0.00 O ATOM 1242 CB GLU A 84 -2.860 18.686 1.517 1.00 0.00 C ATOM 1243 CG GLU A 84 -1.894 18.649 0.330 1.00 0.00 C ATOM 1244 CD GLU A 84 -2.574 19.150 -0.945 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -3.480 18.435 -1.424 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -2.172 20.238 -1.413 1.00 0.00 O ATOM 0 H GLU A 84 -4.412 16.757 1.355 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.734 17.002 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.885 18.765 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.666 19.573 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.021 19.265 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.536 17.631 0.179 1.00 0.00 H new ATOM 1253 N GLU A 85 -1.617 17.981 4.456 1.00 0.00 N ATOM 1254 CA GLU A 85 -1.535 18.320 5.867 1.00 0.00 C ATOM 1255 C GLU A 85 -1.939 19.779 6.087 1.00 0.00 C ATOM 1256 O GLU A 85 -1.799 20.608 5.189 1.00 0.00 O ATOM 1257 CB GLU A 85 -0.132 18.051 6.414 1.00 0.00 C ATOM 1258 CG GLU A 85 0.876 19.059 5.858 1.00 0.00 C ATOM 1259 CD GLU A 85 1.605 19.786 6.990 1.00 0.00 C ATOM 1260 OE1 GLU A 85 0.925 20.559 7.699 1.00 0.00 O ATOM 1261 OE2 GLU A 85 2.826 19.552 7.121 1.00 0.00 O ATOM 0 H GLU A 85 -0.717 17.916 3.980 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.231 17.685 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.145 18.107 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.177 17.039 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.600 18.544 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.361 19.784 5.228 1.00 0.00 H new ATOM 1268 N GLU A 86 -2.433 20.048 7.286 1.00 0.00 N ATOM 1269 CA GLU A 86 -2.859 21.392 7.636 1.00 0.00 C ATOM 1270 C GLU A 86 -1.851 22.037 8.589 1.00 0.00 C ATOM 1271 O GLU A 86 -1.544 21.482 9.643 1.00 0.00 O ATOM 1272 CB GLU A 86 -4.262 21.381 8.247 1.00 0.00 C ATOM 1273 CG GLU A 86 -4.908 22.766 8.161 1.00 0.00 C ATOM 1274 CD GLU A 86 -5.527 23.166 9.502 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -6.070 22.259 10.169 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -5.444 24.369 9.829 1.00 0.00 O ATOM 0 H GLU A 86 -2.548 19.358 8.028 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.900 21.988 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.884 20.653 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.206 21.066 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.160 23.503 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.676 22.766 7.387 1.00 0.00 H new ATOM 1283 N SER A 87 -1.363 23.201 8.184 1.00 0.00 N ATOM 1284 CA SER A 87 -0.396 23.927 8.989 1.00 0.00 C ATOM 1285 C SER A 87 -0.981 24.223 10.371 1.00 0.00 C ATOM 1286 O SER A 87 -1.886 25.045 10.503 1.00 0.00 O ATOM 1287 CB SER A 87 0.026 25.228 8.302 1.00 0.00 C ATOM 1288 OG SER A 87 1.367 25.169 7.825 1.00 0.00 O ATOM 0 H SER A 87 -1.619 23.659 7.309 1.00 0.00 H new ATOM 0 HA SER A 87 0.490 23.303 9.103 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.646 25.433 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.073 26.057 9.003 1.00 0.00 H new ATOM 0 HG SER A 87 1.598 26.017 7.392 1.00 0.00 H new ATOM 1294 N ASP A 88 -0.441 23.535 11.367 1.00 0.00 N ATOM 1295 CA ASP A 88 -0.899 23.714 12.734 1.00 0.00 C ATOM 1296 C ASP A 88 0.141 23.135 13.695 1.00 0.00 C ATOM 1297 O ASP A 88 0.126 21.940 13.987 1.00 0.00 O ATOM 1298 CB ASP A 88 -2.221 22.982 12.972 1.00 0.00 C ATOM 1299 CG ASP A 88 -3.436 23.890 13.172 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -3.678 24.266 14.340 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -4.096 24.188 12.153 1.00 0.00 O ATOM 0 H ASP A 88 0.309 22.853 11.254 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.041 24.781 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.413 22.325 12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.114 22.345 13.850 1.00 0.00 H new ATOM 1306 N LYS A 89 1.021 24.010 14.161 1.00 0.00 N ATOM 1307 CA LYS A 89 2.067 23.601 15.083 1.00 0.00 C ATOM 1308 C LYS A 89 3.004 22.617 14.380 1.00 0.00 C ATOM 1309 O LYS A 89 2.610 21.955 13.421 1.00 0.00 O ATOM 1310 CB LYS A 89 1.457 23.054 16.376 1.00 0.00 C ATOM 1311 CG LYS A 89 1.283 24.165 17.413 1.00 0.00 C ATOM 1312 CD LYS A 89 -0.180 24.290 17.842 1.00 0.00 C ATOM 1313 CE LYS A 89 -0.290 24.885 19.247 1.00 0.00 C ATOM 1314 NZ LYS A 89 -0.456 23.811 20.253 1.00 0.00 N ATOM 0 H LYS A 89 1.031 25.000 13.917 1.00 0.00 H new ATOM 0 HA LYS A 89 2.670 24.459 15.380 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.491 22.597 16.162 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.097 22.270 16.781 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.904 23.955 18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.626 25.112 16.997 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.718 24.920 17.133 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.654 23.309 17.820 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.603 25.468 19.473 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.137 25.569 19.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.529 24.232 21.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.321 23.272 20.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.365 23.174 20.219 1.00 0.00 H new ATOM 1328 N ARG A 90 4.227 22.551 14.885 1.00 0.00 N ATOM 1329 CA ARG A 90 5.224 21.659 14.318 1.00 0.00 C ATOM 1330 C ARG A 90 6.478 21.638 15.194 1.00 0.00 C ATOM 1331 O ARG A 90 6.622 22.461 16.097 1.00 0.00 O ATOM 1332 CB ARG A 90 5.607 22.091 12.901 1.00 0.00 C ATOM 1333 CG ARG A 90 4.908 21.221 11.854 1.00 0.00 C ATOM 1334 CD ARG A 90 4.155 22.083 10.839 1.00 0.00 C ATOM 1335 NE ARG A 90 4.521 21.681 9.463 1.00 0.00 N ATOM 1336 CZ ARG A 90 4.207 22.384 8.366 1.00 0.00 C ATOM 1337 NH1 ARG A 90 3.518 23.528 8.478 1.00 0.00 N ATOM 1338 NH2 ARG A 90 4.581 21.943 7.158 1.00 0.00 N ATOM 0 H ARG A 90 4.550 23.101 15.681 1.00 0.00 H new ATOM 0 HA ARG A 90 4.790 20.660 14.276 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.336 23.136 12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.687 22.020 12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.644 20.605 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.212 20.541 12.346 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.080 21.975 10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.394 23.135 10.995 1.00 0.00 H new ATOM 0 HE ARG A 90 5.045 20.814 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.233 23.864 9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.279 24.063 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.105 21.072 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.342 22.478 6.323 1.00 0.00 H new ATOM 1352 N GLU A 91 7.353 20.689 14.896 1.00 0.00 N ATOM 1353 CA GLU A 91 8.591 20.550 15.646 1.00 0.00 C ATOM 1354 C GLU A 91 9.708 20.036 14.736 1.00 0.00 C ATOM 1355 O GLU A 91 9.457 19.251 13.822 1.00 0.00 O ATOM 1356 CB GLU A 91 8.400 19.631 16.853 1.00 0.00 C ATOM 1357 CG GLU A 91 7.526 20.297 17.918 1.00 0.00 C ATOM 1358 CD GLU A 91 7.208 19.323 19.054 1.00 0.00 C ATOM 1359 OE1 GLU A 91 8.176 18.751 19.599 1.00 0.00 O ATOM 1360 OE2 GLU A 91 6.003 19.173 19.353 1.00 0.00 O ATOM 0 H GLU A 91 7.230 20.009 14.146 1.00 0.00 H new ATOM 0 HA GLU A 91 8.878 21.532 16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.940 18.696 16.533 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.371 19.379 17.280 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.037 21.173 18.318 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.599 20.648 17.465 1.00 0.00 H new ATOM 1367 N SER A 92 10.917 20.499 15.017 1.00 0.00 N ATOM 1368 CA SER A 92 12.073 20.095 14.235 1.00 0.00 C ATOM 1369 C SER A 92 13.348 20.255 15.066 1.00 0.00 C ATOM 1370 O SER A 92 13.413 21.105 15.953 1.00 0.00 O ATOM 1371 CB SER A 92 12.176 20.909 12.943 1.00 0.00 C ATOM 1372 OG SER A 92 11.995 20.098 11.786 1.00 0.00 O ATOM 0 H SER A 92 11.121 21.150 15.775 1.00 0.00 H new ATOM 0 HA SER A 92 11.953 19.046 13.963 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.426 21.700 12.952 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.151 21.394 12.897 1.00 0.00 H new ATOM 0 HG SER A 92 12.066 20.654 10.982 1.00 0.00 H new ATOM 1378 N GLU A 93 14.331 19.426 14.748 1.00 0.00 N ATOM 1379 CA GLU A 93 15.600 19.464 15.454 1.00 0.00 C ATOM 1380 C GLU A 93 16.725 19.874 14.501 1.00 0.00 C ATOM 1381 O GLU A 93 16.824 19.352 13.392 1.00 0.00 O ATOM 1382 CB GLU A 93 15.903 18.117 16.113 1.00 0.00 C ATOM 1383 CG GLU A 93 16.987 18.260 17.182 1.00 0.00 C ATOM 1384 CD GLU A 93 17.214 16.936 17.915 1.00 0.00 C ATOM 1385 OE1 GLU A 93 17.159 15.892 17.230 1.00 0.00 O ATOM 1386 OE2 GLU A 93 17.436 16.999 19.144 1.00 0.00 O ATOM 0 H GLU A 93 14.274 18.724 14.011 1.00 0.00 H new ATOM 0 HA GLU A 93 15.530 20.210 16.246 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.995 17.716 16.563 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.226 17.402 15.356 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.918 18.588 16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.698 19.030 17.897 1.00 0.00 H new ATOM 1393 N SER A 94 17.545 20.804 14.969 1.00 0.00 N ATOM 1394 CA SER A 94 18.659 21.289 14.173 1.00 0.00 C ATOM 1395 C SER A 94 19.973 20.719 14.709 1.00 0.00 C ATOM 1396 O SER A 94 20.021 20.203 15.824 1.00 0.00 O ATOM 1397 CB SER A 94 18.707 22.818 14.167 1.00 0.00 C ATOM 1398 OG SER A 94 19.649 23.319 13.223 1.00 0.00 O ATOM 0 H SER A 94 17.460 21.234 15.890 1.00 0.00 H new ATOM 0 HA SER A 94 18.517 20.953 13.146 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.717 23.211 13.935 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.966 23.176 15.163 1.00 0.00 H new ATOM 0 HG SER A 94 19.648 24.299 13.249 1.00 0.00 H new ATOM 1404 N GLY A 95 21.008 20.831 13.889 1.00 0.00 N ATOM 1405 CA GLY A 95 22.320 20.332 14.266 1.00 0.00 C ATOM 1406 C GLY A 95 23.421 21.021 13.458 1.00 0.00 C ATOM 1407 O GLY A 95 23.739 20.597 12.348 1.00 0.00 O ATOM 0 H GLY A 95 20.965 21.260 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 95 22.485 20.501 15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 95 22.364 19.255 14.103 1.00 0.00 H new ATOM 1411 N PRO A 96 23.988 22.099 14.062 1.00 0.00 N ATOM 1412 CA PRO A 96 25.048 22.851 13.411 1.00 0.00 C ATOM 1413 C PRO A 96 26.372 22.085 13.458 1.00 0.00 C ATOM 1414 O PRO A 96 26.553 21.203 14.296 1.00 0.00 O ATOM 1415 CB PRO A 96 25.102 24.177 14.152 1.00 0.00 C ATOM 1416 CG PRO A 96 24.396 23.943 15.478 1.00 0.00 C ATOM 1417 CD PRO A 96 23.637 22.630 15.377 1.00 0.00 C ATOM 0 HA PRO A 96 24.860 23.011 12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 96 26.133 24.495 14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 96 24.609 24.964 13.581 1.00 0.00 H new ATOM 0 HG2 PRO A 96 25.118 23.905 16.293 1.00 0.00 H new ATOM 0 HG3 PRO A 96 23.712 24.763 15.696 1.00 0.00 H new ATOM 0 HD2 PRO A 96 23.927 21.943 16.172 1.00 0.00 H new ATOM 0 HD3 PRO A 96 22.562 22.786 15.467 1.00 0.00 H new ATOM 1425 N SER A 97 27.262 22.451 12.548 1.00 0.00 N ATOM 1426 CA SER A 97 28.564 21.809 12.475 1.00 0.00 C ATOM 1427 C SER A 97 29.551 22.712 11.732 1.00 0.00 C ATOM 1428 O SER A 97 29.167 23.751 11.198 1.00 0.00 O ATOM 1429 CB SER A 97 28.469 20.446 11.787 1.00 0.00 C ATOM 1430 OG SER A 97 29.718 19.760 11.785 1.00 0.00 O ATOM 0 H SER A 97 27.108 23.183 11.855 1.00 0.00 H new ATOM 0 HA SER A 97 28.923 21.647 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 97 27.721 19.836 12.293 1.00 0.00 H new ATOM 0 HB3 SER A 97 28.128 20.581 10.761 1.00 0.00 H new ATOM 0 HG SER A 97 29.615 18.894 11.338 1.00 0.00 H new ATOM 1436 N SER A 98 30.804 22.281 11.720 1.00 0.00 N ATOM 1437 CA SER A 98 31.849 23.037 11.051 1.00 0.00 C ATOM 1438 C SER A 98 32.175 22.397 9.700 1.00 0.00 C ATOM 1439 O SER A 98 31.781 21.262 9.436 1.00 0.00 O ATOM 1440 CB SER A 98 33.109 23.121 11.916 1.00 0.00 C ATOM 1441 OG SER A 98 34.110 23.943 11.323 1.00 0.00 O ATOM 0 H SER A 98 31.119 21.418 12.163 1.00 0.00 H new ATOM 0 HA SER A 98 31.485 24.051 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 98 32.849 23.517 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 98 33.509 22.119 12.073 1.00 0.00 H new ATOM 0 HG SER A 98 34.897 23.972 11.906 1.00 0.00 H new ATOM 1447 N GLY A 99 32.890 23.153 8.881 1.00 0.00 N ATOM 1448 CA GLY A 99 33.273 22.674 7.563 1.00 0.00 C ATOM 1449 C GLY A 99 34.684 22.083 7.584 1.00 0.00 C ATOM 1450 O GLY A 99 35.670 22.818 7.555 1.00 0.00 O ATOM 0 H GLY A 99 33.215 24.094 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 99 32.563 21.918 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 99 33.229 23.495 6.847 1.00 0.00 H new TER 1454 GLY A 99