USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 70 GLN : amide:sc= 1.17 K(o=2.7,f=-1.8!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.869 K(o=2.7,f=-3.6) USER MOD Set 1.3: A 80 HIS : no HD1:sc= 0.671 K(o=2.7,f=-0.13!) USER MOD Set 2.1: A 35 TYR OH : rot -139:sc= -0.979 USER MOD Set 2.2: A 59 THR OG1 : rot 75:sc= 0.661 USER MOD Set 2.3: A 63 GLN : amide:sc= -0.164! K(o=-0.48!,f=-1) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.335 K(o=2,f=0.27) USER MOD Set 3.2: A 20 SER OG : rot -78:sc= 1.24 USER MOD Set 3.3: A 24 SER OG : rot -91:sc= 0.382 USER MOD Set 4.1: A 13 TYR OH : rot 21:sc= 1.65 USER MOD Set 4.2: A 40 LYS NZ :NH3+ -136:sc= 1.11 (180deg=-0.00263) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.0792 K(o=0.16,f=-0.4) USER MOD Set 5.2: A 10 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= -0.0986 (180deg=-0.108) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= 0.846 (180deg=0.396) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 18 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 19 THR OG1 : rot -15:sc= 0.712 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -157:sc= -0.178 (180deg=-0.805) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc=-0.00628 (180deg=-0.119) USER MOD Single : A 45 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.017) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1.3) USER MOD Single : A 69 TYR OH : rot 150:sc= 0.0185 USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 0.19 (180deg=0.0409) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.545 K(o=0.55,f=-5!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.009 16.333 -3.236 1.00 0.00 N ATOM 2 CA MET A 1 24.533 16.411 -1.832 1.00 0.00 C ATOM 3 C MET A 1 23.187 15.712 -1.677 1.00 0.00 C ATOM 4 O MET A 1 22.273 16.227 -1.028 1.00 0.00 O ATOM 5 CB MET A 1 24.416 17.874 -1.392 1.00 0.00 C ATOM 6 CG MET A 1 25.750 18.596 -1.300 1.00 0.00 C ATOM 7 SD MET A 1 25.577 20.303 -0.743 1.00 0.00 S ATOM 8 CE MET A 1 27.294 20.816 -0.709 1.00 0.00 C ATOM 0 H1 MET A 1 25.897 15.792 -3.272 1.00 0.00 H new ATOM 0 H2 MET A 1 24.291 15.859 -3.820 1.00 0.00 H new ATOM 0 H3 MET A 1 25.174 17.293 -3.601 1.00 0.00 H new ATOM 0 HA MET A 1 25.261 15.905 -1.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.774 18.405 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.925 17.913 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.404 18.058 -0.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.234 18.583 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.357 21.854 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.849 20.184 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.721 20.723 -1.707 1.00 0.00 H new ATOM 20 N ASP A 2 23.077 14.529 -2.262 1.00 0.00 N ATOM 21 CA ASP A 2 21.854 13.744 -2.185 1.00 0.00 C ATOM 22 C ASP A 2 22.101 12.459 -1.406 1.00 0.00 C ATOM 23 O ASP A 2 23.177 11.866 -1.504 1.00 0.00 O ATOM 24 CB ASP A 2 21.339 13.423 -3.590 1.00 0.00 C ATOM 25 CG ASP A 2 20.161 12.474 -3.574 1.00 0.00 C ATOM 26 OD1 ASP A 2 19.103 12.839 -3.021 1.00 0.00 O ATOM 27 OD2 ASP A 2 20.294 11.351 -4.098 1.00 0.00 O ATOM 0 H ASP A 2 23.825 14.089 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 2 21.097 14.329 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.049 14.349 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.146 12.985 -4.178 1.00 0.00 H new ATOM 32 N PHE A 3 21.108 12.036 -0.636 1.00 0.00 N ATOM 33 CA PHE A 3 21.234 10.853 0.207 1.00 0.00 C ATOM 34 C PHE A 3 21.290 9.583 -0.634 1.00 0.00 C ATOM 35 O PHE A 3 22.081 8.681 -0.364 1.00 0.00 O ATOM 36 CB PHE A 3 20.057 10.757 1.181 1.00 0.00 C ATOM 37 CG PHE A 3 19.880 11.967 2.053 1.00 0.00 C ATOM 38 CD1 PHE A 3 20.620 12.115 3.214 1.00 0.00 C ATOM 39 CD2 PHE A 3 18.969 12.953 1.711 1.00 0.00 C ATOM 40 CE1 PHE A 3 20.453 13.223 4.021 1.00 0.00 C ATOM 41 CE2 PHE A 3 18.796 14.063 2.516 1.00 0.00 C ATOM 42 CZ PHE A 3 19.541 14.199 3.670 1.00 0.00 C ATOM 0 H PHE A 3 20.200 12.497 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 3 22.164 10.949 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.141 10.596 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 3 20.196 9.882 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.336 11.355 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.388 12.853 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.035 13.326 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.079 14.823 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.411 15.068 4.298 1.00 0.00 H new ATOM 52 N GLY A 4 20.441 9.520 -1.651 1.00 0.00 N ATOM 53 CA GLY A 4 20.342 8.326 -2.466 1.00 0.00 C ATOM 54 C GLY A 4 19.189 7.447 -2.024 1.00 0.00 C ATOM 55 O GLY A 4 19.013 6.333 -2.519 1.00 0.00 O ATOM 0 H GLY A 4 19.817 10.278 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.207 8.607 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.274 7.764 -2.405 1.00 0.00 H new ATOM 59 N LYS A 5 18.410 7.957 -1.076 1.00 0.00 N ATOM 60 CA LYS A 5 17.272 7.229 -0.532 1.00 0.00 C ATOM 61 C LYS A 5 16.033 8.109 -0.579 1.00 0.00 C ATOM 62 O LYS A 5 16.031 9.218 -0.044 1.00 0.00 O ATOM 63 CB LYS A 5 17.526 6.783 0.915 1.00 0.00 C ATOM 64 CG LYS A 5 18.709 5.840 1.094 1.00 0.00 C ATOM 65 CD LYS A 5 20.027 6.592 1.123 1.00 0.00 C ATOM 66 CE LYS A 5 21.199 5.658 1.349 1.00 0.00 C ATOM 67 NZ LYS A 5 22.482 6.401 1.417 1.00 0.00 N ATOM 0 H LYS A 5 18.549 8.881 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 5 17.123 6.337 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.689 7.668 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.628 6.293 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.590 5.279 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.722 5.114 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.163 7.125 0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.001 7.342 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.050 5.103 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.243 4.926 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.257 5.784 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.432 7.238 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.657 6.703 2.397 1.00 0.00 H new ATOM 81 N PRO A 6 14.968 7.637 -1.237 1.00 0.00 N ATOM 82 CA PRO A 6 13.730 8.400 -1.369 1.00 0.00 C ATOM 83 C PRO A 6 12.831 8.300 -0.139 1.00 0.00 C ATOM 84 O PRO A 6 11.982 9.166 0.080 1.00 0.00 O ATOM 85 CB PRO A 6 13.060 7.749 -2.578 1.00 0.00 C ATOM 86 CG PRO A 6 13.524 6.330 -2.556 1.00 0.00 C ATOM 87 CD PRO A 6 14.896 6.335 -1.929 1.00 0.00 C ATOM 0 HA PRO A 6 13.919 9.468 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.974 7.811 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.349 8.245 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.838 5.707 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.560 5.919 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.020 5.506 -1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.679 6.239 -2.681 1.00 0.00 H new ATOM 95 N ASN A 7 13.028 7.248 0.666 1.00 0.00 N ATOM 96 CA ASN A 7 12.144 6.952 1.802 1.00 0.00 C ATOM 97 C ASN A 7 10.707 6.794 1.316 1.00 0.00 C ATOM 98 O ASN A 7 9.749 7.046 2.049 1.00 0.00 O ATOM 99 CB ASN A 7 12.220 8.054 2.872 1.00 0.00 C ATOM 100 CG ASN A 7 13.584 8.154 3.527 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.313 7.172 3.633 1.00 0.00 O ATOM 102 ND2 ASN A 7 13.933 9.346 3.983 1.00 0.00 N ATOM 0 H ASN A 7 13.795 6.585 0.551 1.00 0.00 H new ATOM 0 HA ASN A 7 12.478 6.019 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.971 9.012 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.469 7.861 3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.835 9.473 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.300 10.138 3.876 1.00 0.00 H new ATOM 109 N GLN A 8 10.574 6.351 0.071 1.00 0.00 N ATOM 110 CA GLN A 8 9.282 6.238 -0.584 1.00 0.00 C ATOM 111 C GLN A 8 8.567 4.958 -0.180 1.00 0.00 C ATOM 112 O GLN A 8 8.954 3.862 -0.582 1.00 0.00 O ATOM 113 CB GLN A 8 9.465 6.280 -2.104 1.00 0.00 C ATOM 114 CG GLN A 8 8.204 5.961 -2.896 1.00 0.00 C ATOM 115 CD GLN A 8 8.450 5.931 -4.392 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.291 6.666 -4.911 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.735 5.063 -5.095 1.00 0.00 N ATOM 0 H GLN A 8 11.360 6.061 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 8 8.666 7.080 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.818 7.271 -2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.245 5.572 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.812 4.995 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.440 6.705 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.048 4.472 -4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.872 4.987 -6.103 1.00 0.00 H new ATOM 126 N VAL A 9 7.534 5.098 0.629 1.00 0.00 N ATOM 127 CA VAL A 9 6.664 3.984 0.943 1.00 0.00 C ATOM 128 C VAL A 9 5.565 3.902 -0.103 1.00 0.00 C ATOM 129 O VAL A 9 4.871 4.883 -0.367 1.00 0.00 O ATOM 130 CB VAL A 9 6.047 4.116 2.352 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.047 3.000 2.614 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.141 4.105 3.409 1.00 0.00 C ATOM 0 H VAL A 9 7.278 5.976 1.081 1.00 0.00 H new ATOM 0 HA VAL A 9 7.259 3.071 0.935 1.00 0.00 H new ATOM 0 HB VAL A 9 5.516 5.067 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.626 3.115 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.247 3.048 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.550 2.036 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.692 4.199 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.695 3.168 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.820 4.940 3.238 1.00 0.00 H new ATOM 142 N THR A 10 5.428 2.748 -0.721 1.00 0.00 N ATOM 143 CA THR A 10 4.454 2.571 -1.776 1.00 0.00 C ATOM 144 C THR A 10 3.354 1.619 -1.332 1.00 0.00 C ATOM 145 O THR A 10 3.565 0.408 -1.239 1.00 0.00 O ATOM 146 CB THR A 10 5.123 2.039 -3.056 1.00 0.00 C ATOM 147 OG1 THR A 10 6.307 2.802 -3.328 1.00 0.00 O ATOM 148 CG2 THR A 10 4.175 2.130 -4.244 1.00 0.00 C ATOM 0 H THR A 10 5.980 1.917 -0.510 1.00 0.00 H new ATOM 0 HA THR A 10 4.013 3.544 -1.993 1.00 0.00 H new ATOM 0 HB THR A 10 5.382 0.992 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.735 2.463 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.672 1.748 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.283 1.537 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.891 3.170 -4.404 1.00 0.00 H new ATOM 156 N VAL A 11 2.195 2.173 -1.024 1.00 0.00 N ATOM 157 CA VAL A 11 1.052 1.372 -0.637 1.00 0.00 C ATOM 158 C VAL A 11 0.238 1.011 -1.870 1.00 0.00 C ATOM 159 O VAL A 11 -0.379 1.874 -2.499 1.00 0.00 O ATOM 160 CB VAL A 11 0.161 2.102 0.388 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.033 1.243 0.771 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.969 2.484 1.621 1.00 0.00 C ATOM 0 H VAL A 11 2.022 3.178 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 11 1.425 0.464 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.214 3.016 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.648 1.777 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.625 1.026 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.683 0.309 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.324 2.998 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.375 1.584 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.787 3.143 1.330 1.00 0.00 H new ATOM 172 N ASN A 12 0.264 -0.262 -2.223 1.00 0.00 N ATOM 173 CA ASN A 12 -0.421 -0.739 -3.411 1.00 0.00 C ATOM 174 C ASN A 12 -1.734 -1.403 -3.038 1.00 0.00 C ATOM 175 O ASN A 12 -1.777 -2.261 -2.157 1.00 0.00 O ATOM 176 CB ASN A 12 0.460 -1.727 -4.184 1.00 0.00 C ATOM 177 CG ASN A 12 1.605 -1.052 -4.915 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.483 0.080 -5.383 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.730 -1.745 -5.010 1.00 0.00 N ATOM 0 H ASN A 12 0.755 -0.987 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.628 0.120 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.863 -2.465 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.155 -2.268 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.538 -1.343 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.788 -2.681 -4.608 1.00 0.00 H new ATOM 186 N TYR A 13 -2.800 -0.988 -3.701 1.00 0.00 N ATOM 187 CA TYR A 13 -4.108 -1.588 -3.498 1.00 0.00 C ATOM 188 C TYR A 13 -4.285 -2.730 -4.489 1.00 0.00 C ATOM 189 O TYR A 13 -4.658 -2.512 -5.644 1.00 0.00 O ATOM 190 CB TYR A 13 -5.211 -0.542 -3.684 1.00 0.00 C ATOM 191 CG TYR A 13 -5.061 0.679 -2.791 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.632 0.712 -1.524 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.359 1.801 -3.218 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.510 1.824 -0.714 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.229 2.913 -2.409 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.810 2.921 -1.160 1.00 0.00 C ATOM 197 OH TYR A 13 -4.698 4.036 -0.358 1.00 0.00 O ATOM 0 H TYR A 13 -2.785 -0.234 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.179 -1.974 -2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.220 -0.219 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.176 -1.008 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.181 -0.147 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.908 1.803 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.963 1.832 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.674 3.773 -2.754 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.860 3.785 0.575 1.00 0.00 H new ATOM 207 N LEU A 14 -3.999 -3.941 -4.040 1.00 0.00 N ATOM 208 CA LEU A 14 -3.887 -5.077 -4.937 1.00 0.00 C ATOM 209 C LEU A 14 -5.145 -5.926 -4.973 1.00 0.00 C ATOM 210 O LEU A 14 -5.804 -6.148 -3.957 1.00 0.00 O ATOM 211 CB LEU A 14 -2.698 -5.948 -4.537 1.00 0.00 C ATOM 212 CG LEU A 14 -1.335 -5.260 -4.610 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.234 -6.223 -4.208 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.085 -4.719 -6.009 1.00 0.00 C ATOM 0 H LEU A 14 -3.840 -4.162 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.738 -4.671 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.854 -6.303 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.679 -6.827 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.333 -4.422 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.730 -5.718 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.404 -6.565 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.235 -7.079 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.110 -4.233 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.105 -5.540 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.860 -3.996 -6.263 1.00 0.00 H new ATOM 226 N ASP A 15 -5.463 -6.374 -6.174 1.00 0.00 N ATOM 227 CA ASP A 15 -6.513 -7.356 -6.410 1.00 0.00 C ATOM 228 C ASP A 15 -6.054 -8.726 -5.904 1.00 0.00 C ATOM 229 O ASP A 15 -4.885 -8.912 -5.564 1.00 0.00 O ATOM 230 CB ASP A 15 -6.807 -7.418 -7.922 1.00 0.00 C ATOM 231 CG ASP A 15 -8.067 -8.191 -8.290 1.00 0.00 C ATOM 232 OD1 ASP A 15 -8.036 -9.440 -8.290 1.00 0.00 O ATOM 233 OD2 ASP A 15 -9.083 -7.547 -8.620 1.00 0.00 O ATOM 0 H ASP A 15 -4.995 -6.064 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.420 -7.071 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.896 -6.401 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.956 -7.875 -8.426 1.00 0.00 H new ATOM 238 N GLU A 16 -6.964 -9.680 -5.886 1.00 0.00 N ATOM 239 CA GLU A 16 -6.652 -11.046 -5.497 1.00 0.00 C ATOM 240 C GLU A 16 -5.785 -11.687 -6.573 1.00 0.00 C ATOM 241 O GLU A 16 -4.900 -12.492 -6.286 1.00 0.00 O ATOM 242 CB GLU A 16 -7.940 -11.853 -5.304 1.00 0.00 C ATOM 243 CG GLU A 16 -7.702 -13.299 -4.899 1.00 0.00 C ATOM 244 CD GLU A 16 -8.975 -14.115 -4.869 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.478 -14.473 -5.957 1.00 0.00 O ATOM 246 OE2 GLU A 16 -9.472 -14.408 -3.760 1.00 0.00 O ATOM 0 H GLU A 16 -7.941 -9.533 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.110 -11.037 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.551 -11.368 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.512 -11.834 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.999 -13.756 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.236 -13.324 -3.914 1.00 0.00 H new ATOM 253 N ASN A 17 -6.034 -11.290 -7.819 1.00 0.00 N ATOM 254 CA ASN A 17 -5.222 -11.729 -8.954 1.00 0.00 C ATOM 255 C ASN A 17 -3.907 -10.958 -8.956 1.00 0.00 C ATOM 256 O ASN A 17 -3.018 -11.200 -9.778 1.00 0.00 O ATOM 257 CB ASN A 17 -5.966 -11.485 -10.272 1.00 0.00 C ATOM 258 CG ASN A 17 -7.340 -12.129 -10.311 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.580 -13.169 -9.690 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.258 -11.503 -11.033 1.00 0.00 N ATOM 0 H ASN A 17 -6.797 -10.661 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.025 -12.797 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.070 -10.411 -10.429 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.367 -11.871 -11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.205 -11.878 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.018 -10.646 -11.531 1.00 0.00 H new ATOM 267 N ASN A 18 -3.815 -10.039 -8.003 1.00 0.00 N ATOM 268 CA ASN A 18 -2.673 -9.153 -7.820 1.00 0.00 C ATOM 269 C ASN A 18 -2.554 -8.147 -8.960 1.00 0.00 C ATOM 270 O ASN A 18 -1.874 -8.379 -9.962 1.00 0.00 O ATOM 271 CB ASN A 18 -1.361 -9.930 -7.644 1.00 0.00 C ATOM 272 CG ASN A 18 -0.165 -9.011 -7.461 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.289 -7.908 -6.938 1.00 0.00 O ATOM 274 ND2 ASN A 18 1.005 -9.462 -7.888 1.00 0.00 N ATOM 0 H ASN A 18 -4.554 -9.885 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.854 -8.600 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.445 -10.589 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.198 -10.565 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.841 -8.887 -7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.070 -10.385 -8.318 1.00 0.00 H new ATOM 281 N THR A 19 -3.255 -7.041 -8.801 1.00 0.00 N ATOM 282 CA THR A 19 -3.206 -5.924 -9.731 1.00 0.00 C ATOM 283 C THR A 19 -3.652 -4.672 -8.990 1.00 0.00 C ATOM 284 O THR A 19 -4.581 -4.739 -8.185 1.00 0.00 O ATOM 285 CB THR A 19 -4.124 -6.164 -10.954 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.788 -7.407 -11.585 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.000 -5.035 -11.969 1.00 0.00 C ATOM 0 H THR A 19 -3.884 -6.889 -8.012 1.00 0.00 H new ATOM 0 HA THR A 19 -2.188 -5.813 -10.103 1.00 0.00 H new ATOM 0 HB THR A 19 -5.153 -6.197 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.917 -7.715 -11.258 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.657 -5.233 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.285 -4.092 -11.501 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.969 -4.970 -12.317 1.00 0.00 H new ATOM 295 N SER A 20 -2.995 -3.548 -9.229 1.00 0.00 N ATOM 296 CA SER A 20 -3.321 -2.329 -8.509 1.00 0.00 C ATOM 297 C SER A 20 -4.639 -1.756 -9.030 1.00 0.00 C ATOM 298 O SER A 20 -4.682 -1.077 -10.061 1.00 0.00 O ATOM 299 CB SER A 20 -2.181 -1.311 -8.634 1.00 0.00 C ATOM 300 OG SER A 20 -2.229 -0.356 -7.586 1.00 0.00 O ATOM 0 H SER A 20 -2.240 -3.455 -9.909 1.00 0.00 H new ATOM 0 HA SER A 20 -3.443 -2.559 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.223 -1.830 -8.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.247 -0.803 -9.596 1.00 0.00 H new ATOM 0 HG SER A 20 -2.925 0.306 -7.779 1.00 0.00 H new ATOM 306 N ILE A 21 -5.718 -2.064 -8.319 1.00 0.00 N ATOM 307 CA ILE A 21 -7.058 -1.640 -8.718 1.00 0.00 C ATOM 308 C ILE A 21 -7.290 -0.174 -8.380 1.00 0.00 C ATOM 309 O ILE A 21 -8.259 0.437 -8.828 1.00 0.00 O ATOM 310 CB ILE A 21 -8.144 -2.508 -8.047 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.938 -2.551 -6.528 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.133 -3.911 -8.634 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.951 -3.407 -5.798 1.00 0.00 C ATOM 0 H ILE A 21 -5.691 -2.609 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.129 -1.768 -9.798 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.118 -2.060 -8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.938 -2.929 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.984 -1.535 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.903 -4.513 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.330 -3.859 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.158 -4.368 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.740 -3.388 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.953 -3.018 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.890 -4.433 -6.162 1.00 0.00 H new ATOM 325 N ALA A 22 -6.389 0.379 -7.586 1.00 0.00 N ATOM 326 CA ALA A 22 -6.412 1.790 -7.253 1.00 0.00 C ATOM 327 C ALA A 22 -5.015 2.364 -7.436 1.00 0.00 C ATOM 328 O ALA A 22 -4.037 1.619 -7.386 1.00 0.00 O ATOM 329 CB ALA A 22 -6.905 1.992 -5.826 1.00 0.00 C ATOM 0 H ALA A 22 -5.623 -0.138 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.101 2.313 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.916 3.057 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.913 1.589 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.239 1.476 -5.135 1.00 0.00 H new ATOM 335 N PRO A 23 -4.898 3.679 -7.681 1.00 0.00 N ATOM 336 CA PRO A 23 -3.598 4.333 -7.860 1.00 0.00 C ATOM 337 C PRO A 23 -2.652 4.068 -6.695 1.00 0.00 C ATOM 338 O PRO A 23 -3.047 4.174 -5.531 1.00 0.00 O ATOM 339 CB PRO A 23 -3.952 5.821 -7.933 1.00 0.00 C ATOM 340 CG PRO A 23 -5.368 5.853 -8.391 1.00 0.00 C ATOM 341 CD PRO A 23 -6.017 4.629 -7.810 1.00 0.00 C ATOM 0 HA PRO A 23 -3.075 3.963 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.839 6.302 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.299 6.349 -8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.868 6.759 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.427 5.847 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.480 4.839 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.800 4.242 -8.462 1.00 0.00 H new ATOM 349 N SER A 24 -1.414 3.705 -7.015 1.00 0.00 N ATOM 350 CA SER A 24 -0.402 3.445 -6.002 1.00 0.00 C ATOM 351 C SER A 24 -0.226 4.658 -5.098 1.00 0.00 C ATOM 352 O SER A 24 -0.016 5.777 -5.570 1.00 0.00 O ATOM 353 CB SER A 24 0.926 3.085 -6.666 1.00 0.00 C ATOM 354 OG SER A 24 0.774 1.984 -7.548 1.00 0.00 O ATOM 0 H SER A 24 -1.088 3.584 -7.974 1.00 0.00 H new ATOM 0 HA SER A 24 -0.731 2.604 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.306 3.946 -7.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.665 2.843 -5.902 1.00 0.00 H new ATOM 0 HG SER A 24 0.947 1.150 -7.063 1.00 0.00 H new ATOM 360 N LEU A 25 -0.319 4.431 -3.802 1.00 0.00 N ATOM 361 CA LEU A 25 -0.233 5.505 -2.832 1.00 0.00 C ATOM 362 C LEU A 25 1.216 5.728 -2.416 1.00 0.00 C ATOM 363 O LEU A 25 1.819 4.887 -1.744 1.00 0.00 O ATOM 364 CB LEU A 25 -1.104 5.173 -1.621 1.00 0.00 C ATOM 365 CG LEU A 25 -1.109 6.215 -0.503 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.691 7.533 -0.995 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.893 5.694 0.689 1.00 0.00 C ATOM 0 H LEU A 25 -0.455 3.506 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.599 6.428 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.129 5.028 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.769 4.223 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.080 6.398 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.685 8.259 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.090 7.909 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.715 7.375 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.891 6.443 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.920 5.487 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.431 4.777 1.056 1.00 0.00 H new ATOM 379 N TYR A 26 1.776 6.851 -2.839 1.00 0.00 N ATOM 380 CA TYR A 26 3.157 7.178 -2.535 1.00 0.00 C ATOM 381 C TYR A 26 3.238 7.971 -1.239 1.00 0.00 C ATOM 382 O TYR A 26 2.819 9.128 -1.173 1.00 0.00 O ATOM 383 CB TYR A 26 3.783 7.968 -3.685 1.00 0.00 C ATOM 384 CG TYR A 26 3.621 7.292 -5.029 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.334 6.138 -5.341 1.00 0.00 C ATOM 386 CD2 TYR A 26 2.744 7.796 -5.979 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.175 5.512 -6.563 1.00 0.00 C ATOM 388 CE2 TYR A 26 2.577 7.174 -7.202 1.00 0.00 C ATOM 389 CZ TYR A 26 3.296 6.033 -7.489 1.00 0.00 C ATOM 390 OH TYR A 26 3.126 5.407 -8.703 1.00 0.00 O ATOM 0 H TYR A 26 1.290 7.554 -3.397 1.00 0.00 H new ATOM 0 HA TYR A 26 3.715 6.250 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.329 8.958 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.844 8.112 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.022 5.726 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.181 8.691 -5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.737 4.618 -6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.888 7.579 -7.928 1.00 0.00 H new ATOM 0 HH TYR A 26 2.471 5.902 -9.238 1.00 0.00 H new ATOM 400 N LEU A 27 3.754 7.331 -0.207 1.00 0.00 N ATOM 401 CA LEU A 27 3.872 7.938 1.104 1.00 0.00 C ATOM 402 C LEU A 27 5.334 8.262 1.399 1.00 0.00 C ATOM 403 O LEU A 27 6.148 7.362 1.605 1.00 0.00 O ATOM 404 CB LEU A 27 3.311 6.981 2.159 1.00 0.00 C ATOM 405 CG LEU A 27 3.278 7.507 3.595 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.255 8.624 3.747 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.967 6.376 4.556 1.00 0.00 C ATOM 0 H LEU A 27 4.104 6.374 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 27 3.302 8.867 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.296 6.709 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.904 6.066 2.142 1.00 0.00 H new ATOM 0 HG LEU A 27 4.261 7.916 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.254 8.978 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.513 9.447 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.265 8.248 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.946 6.760 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.996 5.946 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.735 5.607 4.474 1.00 0.00 H new ATOM 419 N SER A 28 5.673 9.538 1.381 1.00 0.00 N ATOM 420 CA SER A 28 7.032 9.961 1.664 1.00 0.00 C ATOM 421 C SER A 28 7.094 10.662 3.014 1.00 0.00 C ATOM 422 O SER A 28 6.208 11.450 3.352 1.00 0.00 O ATOM 423 CB SER A 28 7.532 10.883 0.554 1.00 0.00 C ATOM 424 OG SER A 28 7.387 10.261 -0.713 1.00 0.00 O ATOM 0 H SER A 28 5.026 10.299 1.174 1.00 0.00 H new ATOM 0 HA SER A 28 7.677 9.084 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.974 11.819 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.579 11.133 0.725 1.00 0.00 H new ATOM 0 HG SER A 28 7.710 10.866 -1.413 1.00 0.00 H new ATOM 430 N GLY A 29 8.128 10.366 3.786 1.00 0.00 N ATOM 431 CA GLY A 29 8.255 10.948 5.103 1.00 0.00 C ATOM 432 C GLY A 29 9.682 10.956 5.597 1.00 0.00 C ATOM 433 O GLY A 29 10.622 10.868 4.800 1.00 0.00 O ATOM 0 H GLY A 29 8.882 9.732 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.875 11.969 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.634 10.390 5.804 1.00 0.00 H new ATOM 437 N LEU A 30 9.850 11.051 6.906 1.00 0.00 N ATOM 438 CA LEU A 30 11.171 11.110 7.509 1.00 0.00 C ATOM 439 C LEU A 30 11.646 9.713 7.876 1.00 0.00 C ATOM 440 O LEU A 30 10.839 8.837 8.183 1.00 0.00 O ATOM 441 CB LEU A 30 11.144 11.994 8.758 1.00 0.00 C ATOM 442 CG LEU A 30 10.655 13.427 8.532 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.591 14.180 9.850 1.00 0.00 C ATOM 444 CD2 LEU A 30 11.559 14.153 7.547 1.00 0.00 C ATOM 0 H LEU A 30 9.081 11.089 7.575 1.00 0.00 H new ATOM 0 HA LEU A 30 11.863 11.540 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.504 11.522 9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.149 12.032 9.178 1.00 0.00 H new ATOM 0 HG LEU A 30 9.651 13.385 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.242 15.197 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.902 13.673 10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.583 14.211 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.195 15.170 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.575 14.185 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.556 13.625 6.593 1.00 0.00 H new ATOM 456 N PHE A 31 12.951 9.499 7.847 1.00 0.00 N ATOM 457 CA PHE A 31 13.505 8.202 8.195 1.00 0.00 C ATOM 458 C PHE A 31 13.251 7.905 9.670 1.00 0.00 C ATOM 459 O PHE A 31 13.410 8.784 10.520 1.00 0.00 O ATOM 460 CB PHE A 31 15.007 8.154 7.896 1.00 0.00 C ATOM 461 CG PHE A 31 15.622 6.804 8.139 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.533 5.807 7.182 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.282 6.528 9.326 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.089 4.563 7.404 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.840 5.284 9.554 1.00 0.00 C ATOM 466 CZ PHE A 31 16.744 4.301 8.591 1.00 0.00 C ATOM 0 H PHE A 31 13.643 10.202 7.588 1.00 0.00 H new ATOM 0 HA PHE A 31 13.012 7.442 7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.172 8.438 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.517 8.894 8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.023 6.005 6.251 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.361 7.295 10.083 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.012 3.795 6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.350 5.082 10.484 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.180 3.328 8.765 1.00 0.00 H new ATOM 476 N ASN A 32 12.839 6.669 9.954 1.00 0.00 N ATOM 477 CA ASN A 32 12.555 6.221 11.321 1.00 0.00 C ATOM 478 C ASN A 32 11.300 6.915 11.864 1.00 0.00 C ATOM 479 O ASN A 32 11.075 6.979 13.071 1.00 0.00 O ATOM 480 CB ASN A 32 13.773 6.462 12.236 1.00 0.00 C ATOM 481 CG ASN A 32 13.720 5.665 13.532 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.112 4.500 13.571 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.267 6.294 14.604 1.00 0.00 N ATOM 0 H ASN A 32 12.692 5.950 9.245 1.00 0.00 H new ATOM 0 HA ASN A 32 12.361 5.148 11.303 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.682 6.202 11.695 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.836 7.524 12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.234 5.812 15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.950 7.261 14.532 1.00 0.00 H new ATOM 490 N GLU A 33 10.472 7.422 10.959 1.00 0.00 N ATOM 491 CA GLU A 33 9.194 8.005 11.342 1.00 0.00 C ATOM 492 C GLU A 33 8.094 6.956 11.222 1.00 0.00 C ATOM 493 O GLU A 33 7.951 6.315 10.181 1.00 0.00 O ATOM 494 CB GLU A 33 8.870 9.226 10.472 1.00 0.00 C ATOM 495 CG GLU A 33 7.454 9.756 10.651 1.00 0.00 C ATOM 496 CD GLU A 33 7.138 10.928 9.739 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.691 10.991 8.621 1.00 0.00 O ATOM 498 OE2 GLU A 33 6.313 11.782 10.131 1.00 0.00 O ATOM 0 H GLU A 33 10.663 7.441 9.957 1.00 0.00 H new ATOM 0 HA GLU A 33 9.257 8.338 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.577 10.022 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.019 8.963 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.744 8.952 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.315 10.062 11.688 1.00 0.00 H new ATOM 505 N ALA A 34 7.341 6.768 12.296 1.00 0.00 N ATOM 506 CA ALA A 34 6.255 5.801 12.303 1.00 0.00 C ATOM 507 C ALA A 34 5.036 6.379 11.602 1.00 0.00 C ATOM 508 O ALA A 34 4.465 7.378 12.049 1.00 0.00 O ATOM 509 CB ALA A 34 5.911 5.396 13.727 1.00 0.00 C ATOM 0 H ALA A 34 7.463 7.273 13.174 1.00 0.00 H new ATOM 0 HA ALA A 34 6.577 4.910 11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.096 4.672 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.786 4.949 14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.604 6.276 14.292 1.00 0.00 H new ATOM 515 N TYR A 35 4.639 5.755 10.508 1.00 0.00 N ATOM 516 CA TYR A 35 3.557 6.275 9.687 1.00 0.00 C ATOM 517 C TYR A 35 2.314 5.398 9.773 1.00 0.00 C ATOM 518 O TYR A 35 2.280 4.412 10.509 1.00 0.00 O ATOM 519 CB TYR A 35 4.013 6.395 8.229 1.00 0.00 C ATOM 520 CG TYR A 35 4.468 5.089 7.606 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.552 4.214 7.034 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.812 4.737 7.578 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.959 3.032 6.456 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.228 3.555 6.995 1.00 0.00 C ATOM 525 CZ TYR A 35 5.297 2.706 6.437 1.00 0.00 C ATOM 526 OH TYR A 35 5.703 1.533 5.848 1.00 0.00 O ATOM 0 H TYR A 35 5.049 4.886 10.166 1.00 0.00 H new ATOM 0 HA TYR A 35 3.296 7.262 10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.193 6.800 7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.831 7.114 8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.502 4.466 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.543 5.398 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.232 2.363 6.019 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.277 3.298 6.977 1.00 0.00 H new ATOM 0 HH TYR A 35 6.395 1.112 6.400 1.00 0.00 H new ATOM 536 N ASN A 36 1.297 5.780 9.012 1.00 0.00 N ATOM 537 CA ASN A 36 0.057 5.024 8.930 1.00 0.00 C ATOM 538 C ASN A 36 -0.270 4.726 7.476 1.00 0.00 C ATOM 539 O ASN A 36 0.281 5.350 6.570 1.00 0.00 O ATOM 540 CB ASN A 36 -1.098 5.801 9.562 1.00 0.00 C ATOM 541 CG ASN A 36 -0.980 5.913 11.071 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.440 5.039 11.810 1.00 0.00 O ATOM 543 ND2 ASN A 36 -0.371 6.991 11.541 1.00 0.00 N ATOM 0 H ASN A 36 1.309 6.621 8.436 1.00 0.00 H new ATOM 0 HA ASN A 36 0.190 4.090 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.135 6.801 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.039 5.311 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.269 7.121 12.548 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.004 7.691 10.896 1.00 0.00 H new ATOM 550 N VAL A 37 -1.173 3.785 7.257 1.00 0.00 N ATOM 551 CA VAL A 37 -1.551 3.386 5.913 1.00 0.00 C ATOM 552 C VAL A 37 -3.044 3.600 5.687 1.00 0.00 C ATOM 553 O VAL A 37 -3.872 2.811 6.144 1.00 0.00 O ATOM 554 CB VAL A 37 -1.188 1.908 5.650 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.713 1.435 4.306 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.317 1.716 5.726 1.00 0.00 C ATOM 0 H VAL A 37 -1.660 3.281 7.998 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.994 4.010 5.214 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.664 1.305 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.439 0.391 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.798 1.532 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.279 2.042 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.560 0.670 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.802 2.341 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.670 1.999 6.718 1.00 0.00 H new ATOM 566 N PRO A 38 -3.408 4.697 5.008 1.00 0.00 N ATOM 567 CA PRO A 38 -4.797 4.976 4.664 1.00 0.00 C ATOM 568 C PRO A 38 -5.298 4.062 3.548 1.00 0.00 C ATOM 569 O PRO A 38 -4.989 4.259 2.371 1.00 0.00 O ATOM 570 CB PRO A 38 -4.777 6.439 4.213 1.00 0.00 C ATOM 571 CG PRO A 38 -3.378 6.691 3.763 1.00 0.00 C ATOM 572 CD PRO A 38 -2.492 5.754 4.544 1.00 0.00 C ATOM 0 HA PRO A 38 -5.473 4.800 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.488 6.611 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.054 7.106 5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.279 6.514 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.096 7.729 3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.696 5.346 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.013 6.263 5.381 1.00 0.00 H new ATOM 580 N MET A 39 -6.042 3.039 3.935 1.00 0.00 N ATOM 581 CA MET A 39 -6.598 2.087 2.985 1.00 0.00 C ATOM 582 C MET A 39 -7.885 2.631 2.380 1.00 0.00 C ATOM 583 O MET A 39 -8.546 3.482 2.976 1.00 0.00 O ATOM 584 CB MET A 39 -6.851 0.748 3.680 1.00 0.00 C ATOM 585 CG MET A 39 -5.572 0.004 4.033 1.00 0.00 C ATOM 586 SD MET A 39 -5.864 -1.434 5.076 1.00 0.00 S ATOM 587 CE MET A 39 -6.435 -0.643 6.578 1.00 0.00 C ATOM 0 H MET A 39 -6.277 2.845 4.908 1.00 0.00 H new ATOM 0 HA MET A 39 -5.883 1.932 2.177 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.426 0.921 4.590 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.462 0.120 3.032 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.077 -0.313 3.115 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.891 0.685 4.543 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.272 -1.310 7.425 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.882 0.284 6.734 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.499 -0.421 6.491 1.00 0.00 H new ATOM 597 N LYS A 40 -8.229 2.153 1.193 1.00 0.00 N ATOM 598 CA LYS A 40 -9.426 2.608 0.499 1.00 0.00 C ATOM 599 C LYS A 40 -10.380 1.443 0.287 1.00 0.00 C ATOM 600 O LYS A 40 -10.011 0.292 0.502 1.00 0.00 O ATOM 601 CB LYS A 40 -9.064 3.236 -0.851 1.00 0.00 C ATOM 602 CG LYS A 40 -8.215 4.492 -0.738 1.00 0.00 C ATOM 603 CD LYS A 40 -8.000 5.135 -2.097 1.00 0.00 C ATOM 604 CE LYS A 40 -7.241 6.446 -1.981 1.00 0.00 C ATOM 605 NZ LYS A 40 -5.817 6.248 -1.594 1.00 0.00 N ATOM 0 H LYS A 40 -7.694 1.447 0.688 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.913 3.364 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.529 2.500 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.982 3.477 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.700 5.203 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.251 4.244 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.448 4.450 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.964 5.313 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.285 6.973 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.730 7.081 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.556 6.941 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.690 5.286 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.209 6.378 -2.428 1.00 0.00 H new ATOM 619 N LYS A 41 -11.602 1.734 -0.124 1.00 0.00 N ATOM 620 CA LYS A 41 -12.569 0.682 -0.382 1.00 0.00 C ATOM 621 C LYS A 41 -13.101 0.782 -1.804 1.00 0.00 C ATOM 622 O LYS A 41 -13.607 1.827 -2.217 1.00 0.00 O ATOM 623 CB LYS A 41 -13.722 0.745 0.617 1.00 0.00 C ATOM 624 CG LYS A 41 -14.591 -0.500 0.606 1.00 0.00 C ATOM 625 CD LYS A 41 -15.770 -0.365 1.549 1.00 0.00 C ATOM 626 CE LYS A 41 -16.540 -1.669 1.663 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.771 -1.506 2.475 1.00 0.00 N ATOM 0 H LYS A 41 -11.946 2.681 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.063 -0.276 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.319 0.890 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.341 1.614 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.953 -0.683 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.992 -1.365 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.417 -0.062 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.435 0.422 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.805 -2.024 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.904 -2.430 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.272 -2.416 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.516 -1.190 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.389 -0.798 2.030 1.00 0.00 H new ATOM 641 N ILE A 42 -12.983 -0.309 -2.547 1.00 0.00 N ATOM 642 CA ILE A 42 -13.455 -0.360 -3.926 1.00 0.00 C ATOM 643 C ILE A 42 -14.867 -0.959 -3.955 1.00 0.00 C ATOM 644 O ILE A 42 -15.294 -1.562 -2.971 1.00 0.00 O ATOM 645 CB ILE A 42 -12.487 -1.198 -4.802 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.034 -0.775 -4.547 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.816 -1.054 -6.284 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.739 0.671 -4.900 1.00 0.00 C ATOM 0 H ILE A 42 -12.562 -1.177 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.486 0.650 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.610 -2.245 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.799 -0.936 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.372 -1.421 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.120 -1.653 -6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.834 -1.398 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.729 -0.007 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.692 0.890 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.940 0.835 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.373 1.328 -4.304 1.00 0.00 H new ATOM 660 N LYS A 43 -15.583 -0.780 -5.070 1.00 0.00 N ATOM 661 CA LYS A 43 -16.977 -1.226 -5.187 1.00 0.00 C ATOM 662 C LYS A 43 -17.128 -2.718 -4.895 1.00 0.00 C ATOM 663 O LYS A 43 -16.833 -3.557 -5.748 1.00 0.00 O ATOM 664 CB LYS A 43 -17.523 -0.952 -6.592 1.00 0.00 C ATOM 665 CG LYS A 43 -17.355 0.479 -7.071 1.00 0.00 C ATOM 666 CD LYS A 43 -18.114 0.707 -8.369 1.00 0.00 C ATOM 667 CE LYS A 43 -17.779 2.049 -8.997 1.00 0.00 C ATOM 668 NZ LYS A 43 -16.394 2.074 -9.535 1.00 0.00 N ATOM 0 H LYS A 43 -15.219 -0.327 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.543 -0.660 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.024 -1.617 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.583 -1.205 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.717 1.168 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.297 0.695 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.877 -0.091 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.186 0.655 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.485 2.261 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.895 2.838 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.273 2.909 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.716 2.117 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.222 1.213 -10.092 1.00 0.00 H new ATOM 682 N GLY A 44 -17.586 -3.042 -3.694 1.00 0.00 N ATOM 683 CA GLY A 44 -17.830 -4.428 -3.341 1.00 0.00 C ATOM 684 C GLY A 44 -16.553 -5.177 -3.023 1.00 0.00 C ATOM 685 O GLY A 44 -16.460 -6.387 -3.246 1.00 0.00 O ATOM 0 H GLY A 44 -17.794 -2.369 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.496 -4.469 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.344 -4.925 -4.164 1.00 0.00 H new ATOM 689 N TYR A 45 -15.562 -4.462 -2.514 1.00 0.00 N ATOM 690 CA TYR A 45 -14.297 -5.075 -2.142 1.00 0.00 C ATOM 691 C TYR A 45 -14.083 -5.012 -0.636 1.00 0.00 C ATOM 692 O TYR A 45 -14.340 -3.993 0.004 1.00 0.00 O ATOM 693 CB TYR A 45 -13.130 -4.407 -2.876 1.00 0.00 C ATOM 694 CG TYR A 45 -13.019 -4.811 -4.331 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.898 -4.311 -5.281 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.037 -5.698 -4.751 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.806 -4.683 -6.609 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.935 -6.074 -6.078 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.824 -5.563 -7.002 1.00 0.00 C ATOM 700 OH TYR A 45 -12.733 -5.940 -8.323 1.00 0.00 O ATOM 0 H TYR A 45 -15.609 -3.457 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.335 -6.123 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.245 -3.325 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.200 -4.657 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.669 -3.618 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.341 -6.101 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.501 -4.285 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.164 -6.763 -6.389 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.866 -6.368 -8.482 1.00 0.00 H new ATOM 710 N THR A 46 -13.629 -6.122 -0.087 1.00 0.00 N ATOM 711 CA THR A 46 -13.348 -6.243 1.331 1.00 0.00 C ATOM 712 C THR A 46 -11.867 -6.554 1.518 1.00 0.00 C ATOM 713 O THR A 46 -11.266 -7.197 0.665 1.00 0.00 O ATOM 714 CB THR A 46 -14.201 -7.373 1.942 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.570 -7.199 1.558 1.00 0.00 O ATOM 716 CG2 THR A 46 -14.100 -7.397 3.460 1.00 0.00 C ATOM 0 H THR A 46 -13.443 -6.973 -0.617 1.00 0.00 H new ATOM 0 HA THR A 46 -13.594 -5.308 1.834 1.00 0.00 H new ATOM 0 HB THR A 46 -13.820 -8.322 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.112 -7.918 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.715 -8.207 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.062 -7.554 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.451 -6.447 3.863 1.00 0.00 H new ATOM 724 N LEU A 47 -11.266 -6.092 2.600 1.00 0.00 N ATOM 725 CA LEU A 47 -9.859 -6.377 2.832 1.00 0.00 C ATOM 726 C LEU A 47 -9.675 -7.835 3.224 1.00 0.00 C ATOM 727 O LEU A 47 -10.442 -8.378 4.024 1.00 0.00 O ATOM 728 CB LEU A 47 -9.279 -5.481 3.925 1.00 0.00 C ATOM 729 CG LEU A 47 -7.753 -5.512 4.023 1.00 0.00 C ATOM 730 CD1 LEU A 47 -7.130 -4.918 2.772 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.274 -4.771 5.259 1.00 0.00 C ATOM 0 H LEU A 47 -11.718 -5.529 3.320 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.326 -6.176 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.599 -4.455 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.699 -5.781 4.885 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.438 -6.552 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.044 -4.947 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.441 -5.495 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.457 -3.885 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.186 -4.807 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.601 -3.732 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.692 -5.241 6.150 1.00 0.00 H new ATOM 743 N LEU A 48 -8.677 -8.476 2.637 1.00 0.00 N ATOM 744 CA LEU A 48 -8.311 -9.822 3.036 1.00 0.00 C ATOM 745 C LEU A 48 -7.496 -9.745 4.318 1.00 0.00 C ATOM 746 O LEU A 48 -7.913 -10.252 5.364 1.00 0.00 O ATOM 747 CB LEU A 48 -7.503 -10.507 1.927 1.00 0.00 C ATOM 748 CG LEU A 48 -7.079 -11.948 2.219 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.295 -12.853 2.342 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.144 -12.456 1.133 1.00 0.00 C ATOM 0 H LEU A 48 -8.109 -8.086 1.885 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.211 -10.412 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.095 -10.499 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.608 -9.915 1.734 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.546 -11.962 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.970 -13.873 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.929 -12.501 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.858 -12.835 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.852 -13.482 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.654 -12.425 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.255 -11.826 1.094 1.00 0.00 H new ATOM 762 N LYS A 49 -6.351 -9.070 4.209 1.00 0.00 N ATOM 763 CA LYS A 49 -5.434 -8.822 5.320 1.00 0.00 C ATOM 764 C LYS A 49 -4.094 -8.369 4.751 1.00 0.00 C ATOM 765 O LYS A 49 -3.828 -8.555 3.563 1.00 0.00 O ATOM 766 CB LYS A 49 -5.220 -10.073 6.188 1.00 0.00 C ATOM 767 CG LYS A 49 -4.663 -9.763 7.571 1.00 0.00 C ATOM 768 CD LYS A 49 -4.525 -11.015 8.421 1.00 0.00 C ATOM 769 CE LYS A 49 -4.255 -10.670 9.879 1.00 0.00 C ATOM 770 NZ LYS A 49 -3.001 -9.889 10.055 1.00 0.00 N ATOM 0 H LYS A 49 -6.029 -8.672 3.327 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.872 -8.053 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.169 -10.597 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.538 -10.750 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.689 -9.283 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.318 -9.053 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.437 -11.608 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.713 -11.631 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.094 -10.099 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.192 -11.589 10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.826 -9.737 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.204 -10.414 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.095 -8.969 9.579 1.00 0.00 H new ATOM 784 N TYR A 50 -3.269 -7.763 5.587 1.00 0.00 N ATOM 785 CA TYR A 50 -1.917 -7.387 5.196 1.00 0.00 C ATOM 786 C TYR A 50 -0.905 -8.149 6.040 1.00 0.00 C ATOM 787 O TYR A 50 -1.125 -8.365 7.234 1.00 0.00 O ATOM 788 CB TYR A 50 -1.706 -5.871 5.337 1.00 0.00 C ATOM 789 CG TYR A 50 -2.451 -5.245 6.495 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.119 -5.536 7.812 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.492 -4.359 6.263 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.806 -4.965 8.863 1.00 0.00 C ATOM 793 CE2 TYR A 50 -4.184 -3.783 7.307 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.839 -4.088 8.607 1.00 0.00 C ATOM 795 OH TYR A 50 -4.533 -3.518 9.652 1.00 0.00 O ATOM 0 H TYR A 50 -3.512 -7.519 6.547 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.773 -7.648 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.641 -5.674 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.019 -5.385 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.309 -6.221 8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.765 -4.116 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.536 -5.204 9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.993 -3.096 7.108 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.228 -2.924 9.298 1.00 0.00 H new ATOM 805 N ASP A 51 0.177 -8.586 5.414 1.00 0.00 N ATOM 806 CA ASP A 51 1.238 -9.287 6.127 1.00 0.00 C ATOM 807 C ASP A 51 2.052 -8.308 6.951 1.00 0.00 C ATOM 808 O ASP A 51 2.161 -8.443 8.171 1.00 0.00 O ATOM 809 CB ASP A 51 2.164 -10.030 5.157 1.00 0.00 C ATOM 810 CG ASP A 51 1.513 -11.243 4.527 1.00 0.00 C ATOM 811 OD1 ASP A 51 1.320 -12.255 5.236 1.00 0.00 O ATOM 812 OD2 ASP A 51 1.208 -11.197 3.315 1.00 0.00 O ATOM 0 H ASP A 51 0.345 -8.469 4.415 1.00 0.00 H new ATOM 0 HA ASP A 51 0.768 -10.017 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.481 -9.345 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.063 -10.342 5.689 1.00 0.00 H new ATOM 817 N SER A 52 2.607 -7.313 6.273 1.00 0.00 N ATOM 818 CA SER A 52 3.440 -6.308 6.912 1.00 0.00 C ATOM 819 C SER A 52 2.634 -5.478 7.907 1.00 0.00 C ATOM 820 O SER A 52 1.513 -5.055 7.616 1.00 0.00 O ATOM 821 CB SER A 52 4.055 -5.403 5.843 1.00 0.00 C ATOM 822 OG SER A 52 4.696 -6.173 4.838 1.00 0.00 O ATOM 0 H SER A 52 2.492 -7.181 5.268 1.00 0.00 H new ATOM 0 HA SER A 52 4.233 -6.812 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.278 -4.784 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.775 -4.726 6.303 1.00 0.00 H new ATOM 0 HG SER A 52 5.081 -5.575 4.164 1.00 0.00 H new ATOM 828 N GLU A 53 3.201 -5.275 9.090 1.00 0.00 N ATOM 829 CA GLU A 53 2.580 -4.438 10.106 1.00 0.00 C ATOM 830 C GLU A 53 2.464 -3.001 9.610 1.00 0.00 C ATOM 831 O GLU A 53 3.459 -2.384 9.235 1.00 0.00 O ATOM 832 CB GLU A 53 3.384 -4.489 11.407 1.00 0.00 C ATOM 833 CG GLU A 53 3.384 -5.860 12.065 1.00 0.00 C ATOM 834 CD GLU A 53 4.234 -5.912 13.318 1.00 0.00 C ATOM 835 OE1 GLU A 53 3.861 -5.274 14.324 1.00 0.00 O ATOM 836 OE2 GLU A 53 5.273 -6.608 13.307 1.00 0.00 O ATOM 0 H GLU A 53 4.094 -5.681 9.369 1.00 0.00 H new ATOM 0 HA GLU A 53 1.579 -4.820 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.413 -4.193 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.976 -3.759 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.360 -6.138 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.750 -6.599 11.353 1.00 0.00 H new ATOM 843 N ILE A 54 1.239 -2.486 9.611 1.00 0.00 N ATOM 844 CA ILE A 54 0.953 -1.142 9.113 1.00 0.00 C ATOM 845 C ILE A 54 1.726 -0.080 9.891 1.00 0.00 C ATOM 846 O ILE A 54 2.180 0.914 9.323 1.00 0.00 O ATOM 847 CB ILE A 54 -0.565 -0.848 9.178 1.00 0.00 C ATOM 848 CG1 ILE A 54 -1.323 -1.796 8.249 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.869 0.598 8.822 1.00 0.00 C ATOM 850 CD1 ILE A 54 -0.880 -1.719 6.802 1.00 0.00 C ATOM 0 H ILE A 54 0.418 -2.985 9.955 1.00 0.00 H new ATOM 0 HA ILE A 54 1.278 -1.102 8.073 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.896 -1.012 10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.194 -2.818 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.388 -1.571 8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.944 0.768 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.360 1.260 9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.521 0.804 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.463 -2.420 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.035 -0.707 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.177 -1.974 6.731 1.00 0.00 H new ATOM 862 N LEU A 55 1.881 -0.295 11.189 1.00 0.00 N ATOM 863 CA LEU A 55 2.653 0.619 12.012 1.00 0.00 C ATOM 864 C LEU A 55 4.141 0.343 11.846 1.00 0.00 C ATOM 865 O LEU A 55 4.708 -0.529 12.510 1.00 0.00 O ATOM 866 CB LEU A 55 2.247 0.507 13.482 1.00 0.00 C ATOM 867 CG LEU A 55 0.803 0.909 13.788 1.00 0.00 C ATOM 868 CD1 LEU A 55 0.520 0.779 15.274 1.00 0.00 C ATOM 869 CD2 LEU A 55 0.530 2.331 13.318 1.00 0.00 C ATOM 0 H LEU A 55 1.485 -1.090 11.691 1.00 0.00 H new ATOM 0 HA LEU A 55 2.445 1.637 11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.398 -0.522 13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.915 1.130 14.076 1.00 0.00 H new ATOM 0 HG LEU A 55 0.138 0.235 13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.511 1.069 15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.674 -0.254 15.585 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.194 1.429 15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.502 2.597 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.203 3.019 13.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.693 2.396 12.242 1.00 0.00 H new ATOM 881 N GLY A 56 4.758 1.065 10.927 1.00 0.00 N ATOM 882 CA GLY A 56 6.172 0.909 10.682 1.00 0.00 C ATOM 883 C GLY A 56 6.846 2.240 10.460 1.00 0.00 C ATOM 884 O GLY A 56 6.184 3.281 10.443 1.00 0.00 O ATOM 0 H GLY A 56 4.299 1.763 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.635 0.403 11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.323 0.274 9.809 1.00 0.00 H new ATOM 888 N VAL A 57 8.156 2.218 10.289 1.00 0.00 N ATOM 889 CA VAL A 57 8.916 3.439 10.081 1.00 0.00 C ATOM 890 C VAL A 57 9.389 3.541 8.636 1.00 0.00 C ATOM 891 O VAL A 57 9.549 2.523 7.957 1.00 0.00 O ATOM 892 CB VAL A 57 10.136 3.521 11.030 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.683 3.576 12.482 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.080 2.347 10.809 1.00 0.00 C ATOM 0 H VAL A 57 8.717 1.366 10.290 1.00 0.00 H new ATOM 0 HA VAL A 57 8.250 4.273 10.303 1.00 0.00 H new ATOM 0 HB VAL A 57 10.678 4.439 10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.555 3.633 13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.057 4.455 12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.111 2.679 12.719 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.928 2.429 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.551 1.414 11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.438 2.356 9.779 1.00 0.00 H new ATOM 904 N PHE A 58 9.583 4.767 8.161 1.00 0.00 N ATOM 905 CA PHE A 58 10.120 4.987 6.823 1.00 0.00 C ATOM 906 C PHE A 58 11.541 4.451 6.731 1.00 0.00 C ATOM 907 O PHE A 58 12.352 4.654 7.641 1.00 0.00 O ATOM 908 CB PHE A 58 10.100 6.471 6.453 1.00 0.00 C ATOM 909 CG PHE A 58 8.722 7.034 6.248 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.108 6.959 5.010 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.043 7.642 7.291 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.843 7.479 4.816 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.780 8.166 7.102 1.00 0.00 C ATOM 914 CZ PHE A 58 6.178 8.084 5.862 1.00 0.00 C ATOM 0 H PHE A 58 9.377 5.620 8.680 1.00 0.00 H new ATOM 0 HA PHE A 58 9.486 4.451 6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.599 7.037 7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.679 6.615 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.624 6.488 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.507 7.707 8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.375 7.412 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.263 8.640 7.923 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.190 8.492 5.712 1.00 0.00 H new ATOM 924 N THR A 59 11.834 3.768 5.636 1.00 0.00 N ATOM 925 CA THR A 59 13.117 3.116 5.457 1.00 0.00 C ATOM 926 C THR A 59 13.887 3.718 4.288 1.00 0.00 C ATOM 927 O THR A 59 13.300 4.387 3.434 1.00 0.00 O ATOM 928 CB THR A 59 12.928 1.606 5.221 1.00 0.00 C ATOM 929 OG1 THR A 59 11.914 1.385 4.223 1.00 0.00 O ATOM 930 CG2 THR A 59 12.538 0.901 6.512 1.00 0.00 C ATOM 0 H THR A 59 11.192 3.652 4.852 1.00 0.00 H new ATOM 0 HA THR A 59 13.692 3.272 6.370 1.00 0.00 H new ATOM 0 HB THR A 59 13.875 1.195 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.275 1.596 3.337 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.410 -0.164 6.320 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.322 1.044 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.603 1.317 6.886 1.00 0.00 H new ATOM 938 N GLU A 60 15.195 3.465 4.264 1.00 0.00 N ATOM 939 CA GLU A 60 16.076 3.940 3.198 1.00 0.00 C ATOM 940 C GLU A 60 15.530 3.547 1.829 1.00 0.00 C ATOM 941 O GLU A 60 15.358 4.384 0.938 1.00 0.00 O ATOM 942 CB GLU A 60 17.470 3.331 3.373 1.00 0.00 C ATOM 943 CG GLU A 60 18.156 3.707 4.676 1.00 0.00 C ATOM 944 CD GLU A 60 18.893 5.028 4.594 1.00 0.00 C ATOM 945 OE1 GLU A 60 18.276 6.081 4.835 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.110 5.012 4.306 1.00 0.00 O ATOM 0 H GLU A 60 15.674 2.924 4.984 1.00 0.00 H new ATOM 0 HA GLU A 60 16.132 5.027 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.389 2.245 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.099 3.646 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.412 3.761 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.859 2.921 4.951 1.00 0.00 H new ATOM 953 N SER A 61 15.261 2.263 1.677 1.00 0.00 N ATOM 954 CA SER A 61 14.768 1.727 0.423 1.00 0.00 C ATOM 955 C SER A 61 13.250 1.868 0.342 1.00 0.00 C ATOM 956 O SER A 61 12.571 1.897 1.375 1.00 0.00 O ATOM 957 CB SER A 61 15.176 0.256 0.291 1.00 0.00 C ATOM 958 OG SER A 61 14.648 -0.522 1.354 1.00 0.00 O ATOM 0 H SER A 61 15.377 1.567 2.414 1.00 0.00 H new ATOM 0 HA SER A 61 15.208 2.291 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.822 -0.138 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.263 0.177 0.284 1.00 0.00 H new ATOM 0 HG SER A 61 14.923 -1.456 1.243 1.00 0.00 H new ATOM 964 N PRO A 62 12.702 1.984 -0.882 1.00 0.00 N ATOM 965 CA PRO A 62 11.254 2.049 -1.099 1.00 0.00 C ATOM 966 C PRO A 62 10.524 0.882 -0.443 1.00 0.00 C ATOM 967 O PRO A 62 10.696 -0.274 -0.830 1.00 0.00 O ATOM 968 CB PRO A 62 11.115 1.982 -2.622 1.00 0.00 C ATOM 969 CG PRO A 62 12.408 2.502 -3.141 1.00 0.00 C ATOM 970 CD PRO A 62 13.453 2.074 -2.148 1.00 0.00 C ATOM 0 HA PRO A 62 10.815 2.945 -0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.935 0.961 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.277 2.585 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.622 2.099 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.382 3.587 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.899 1.117 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.266 2.797 -2.083 1.00 0.00 H new ATOM 978 N GLN A 63 9.725 1.193 0.564 1.00 0.00 N ATOM 979 CA GLN A 63 9.009 0.180 1.319 1.00 0.00 C ATOM 980 C GLN A 63 7.659 -0.091 0.664 1.00 0.00 C ATOM 981 O GLN A 63 6.825 0.806 0.550 1.00 0.00 O ATOM 982 CB GLN A 63 8.833 0.647 2.766 1.00 0.00 C ATOM 983 CG GLN A 63 8.407 -0.449 3.726 1.00 0.00 C ATOM 984 CD GLN A 63 8.411 0.011 5.172 1.00 0.00 C ATOM 985 OE1 GLN A 63 7.641 -0.480 5.993 1.00 0.00 O ATOM 986 NE2 GLN A 63 9.294 0.940 5.503 1.00 0.00 N ATOM 0 H GLN A 63 9.555 2.148 0.879 1.00 0.00 H new ATOM 0 HA GLN A 63 9.580 -0.748 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.773 1.075 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.091 1.445 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.407 -0.792 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.076 -1.303 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.918 1.326 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.350 1.270 6.466 1.00 0.00 H new ATOM 995 N THR A 64 7.458 -1.315 0.211 1.00 0.00 N ATOM 996 CA THR A 64 6.251 -1.665 -0.515 1.00 0.00 C ATOM 997 C THR A 64 5.236 -2.349 0.399 1.00 0.00 C ATOM 998 O THR A 64 5.486 -3.440 0.911 1.00 0.00 O ATOM 999 CB THR A 64 6.578 -2.594 -1.699 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.725 -2.095 -2.406 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.397 -2.697 -2.654 1.00 0.00 C ATOM 0 H THR A 64 8.116 -2.085 0.333 1.00 0.00 H new ATOM 0 HA THR A 64 5.817 -0.739 -0.892 1.00 0.00 H new ATOM 0 HB THR A 64 6.792 -3.587 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.931 -2.690 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.654 -3.359 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.534 -3.098 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.156 -1.708 -3.043 1.00 0.00 H new ATOM 1009 N ILE A 65 4.099 -1.702 0.607 1.00 0.00 N ATOM 1010 CA ILE A 65 3.029 -2.283 1.403 1.00 0.00 C ATOM 1011 C ILE A 65 1.922 -2.779 0.487 1.00 0.00 C ATOM 1012 O ILE A 65 1.203 -1.988 -0.127 1.00 0.00 O ATOM 1013 CB ILE A 65 2.449 -1.276 2.420 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.569 -0.732 3.309 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.359 -1.933 3.271 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.109 0.330 4.276 1.00 0.00 C ATOM 0 H ILE A 65 3.894 -0.774 0.236 1.00 0.00 H new ATOM 0 HA ILE A 65 3.451 -3.115 1.967 1.00 0.00 H new ATOM 0 HB ILE A 65 1.997 -0.448 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.009 -1.556 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.356 -0.320 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.964 -1.206 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.554 -2.283 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.782 -2.778 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.955 0.669 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.695 1.172 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.344 -0.083 4.933 1.00 0.00 H new ATOM 1028 N ASN A 66 1.812 -4.089 0.381 1.00 0.00 N ATOM 1029 CA ASN A 66 0.844 -4.702 -0.512 1.00 0.00 C ATOM 1030 C ASN A 66 -0.472 -4.950 0.206 1.00 0.00 C ATOM 1031 O ASN A 66 -0.612 -5.906 0.968 1.00 0.00 O ATOM 1032 CB ASN A 66 1.403 -6.007 -1.081 1.00 0.00 C ATOM 1033 CG ASN A 66 2.543 -5.770 -2.054 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.572 -4.765 -2.767 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.500 -6.685 -2.080 1.00 0.00 N ATOM 0 H ASN A 66 2.383 -4.753 0.904 1.00 0.00 H new ATOM 0 HA ASN A 66 0.653 -4.016 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.752 -6.637 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.605 -6.552 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.297 -6.571 -2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.440 -7.503 -1.474 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.427 -4.066 -0.028 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.746 -4.176 0.570 1.00 0.00 C ATOM 1044 C ILE A 67 -3.671 -4.922 -0.382 1.00 0.00 C ATOM 1045 O ILE A 67 -4.109 -4.372 -1.389 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.334 -2.784 0.891 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.397 -2.002 1.816 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.708 -2.914 1.525 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.199 -2.644 3.174 1.00 0.00 C ATOM 0 H ILE A 67 -1.310 -3.255 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.656 -4.726 1.507 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.435 -2.236 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.427 -1.897 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.795 -0.997 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.104 -1.922 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.379 -3.429 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.629 -3.484 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.523 -2.031 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.160 -2.725 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.771 -3.638 3.047 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.949 -6.177 -0.068 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.690 -7.040 -0.976 1.00 0.00 C ATOM 1063 C ILE A 68 -6.166 -7.101 -0.594 1.00 0.00 C ATOM 1064 O ILE A 68 -6.519 -7.400 0.552 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.096 -8.464 -0.995 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.621 -8.405 -1.403 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -4.880 -9.362 -1.946 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -1.909 -9.738 -1.328 1.00 0.00 C ATOM 0 H ILE A 68 -3.673 -6.621 0.808 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.605 -6.611 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.169 -8.889 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.551 -8.024 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.105 -7.692 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.445 -10.361 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.919 -9.418 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.838 -8.949 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.870 -9.613 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.945 -10.113 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.398 -10.450 -1.993 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.019 -6.813 -1.564 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.453 -6.809 -1.348 1.00 0.00 C ATOM 1082 C TYR A 69 -9.101 -8.035 -1.970 1.00 0.00 C ATOM 1083 O TYR A 69 -8.668 -8.525 -3.013 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.080 -5.543 -1.937 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.619 -4.275 -1.263 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -7.500 -3.591 -1.717 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -9.299 -3.767 -0.163 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -7.069 -2.438 -1.095 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.874 -2.612 0.463 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.759 -1.952 -0.005 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.329 -0.805 0.625 1.00 0.00 O ATOM 0 H TYR A 69 -6.738 -6.577 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.627 -6.829 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.841 -5.489 -2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.165 -5.614 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.958 -3.968 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.172 -4.283 0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.195 -1.918 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.413 -2.228 1.316 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.097 -0.339 1.017 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.138 -8.523 -1.317 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.919 -9.623 -1.835 1.00 0.00 C ATOM 1103 C GLN A 70 -12.284 -9.108 -2.263 1.00 0.00 C ATOM 1104 O GLN A 70 -12.746 -8.070 -1.789 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.062 -10.734 -0.790 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.687 -10.275 0.517 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.825 -11.399 1.521 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -12.005 -12.557 1.151 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.729 -11.067 2.798 1.00 0.00 N ATOM 0 H GLN A 70 -10.460 -8.168 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.407 -10.049 -2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.668 -11.537 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.077 -11.153 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.078 -9.480 0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.670 -9.849 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.579 -10.093 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.805 -11.785 3.519 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.919 -9.826 -3.162 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.192 -9.402 -3.716 1.00 0.00 C ATOM 1120 C LYS A 71 -15.336 -10.009 -2.920 1.00 0.00 C ATOM 1121 O LYS A 71 -15.190 -11.090 -2.350 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.248 -9.826 -5.184 1.00 0.00 C ATOM 1123 CG LYS A 71 -13.085 -9.261 -5.975 1.00 0.00 C ATOM 1124 CD LYS A 71 -12.680 -10.138 -7.147 1.00 0.00 C ATOM 1125 CE LYS A 71 -11.386 -9.627 -7.761 1.00 0.00 C ATOM 1126 NZ LYS A 71 -10.895 -10.484 -8.871 1.00 0.00 N ATOM 0 H LYS A 71 -12.574 -10.713 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.290 -8.318 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.238 -10.914 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.186 -9.489 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.352 -8.271 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.230 -9.134 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.551 -11.168 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.470 -10.143 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.541 -8.614 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.620 -9.569 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.869 -10.357 -8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.100 -11.481 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.373 -10.215 -9.755 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.468 -9.318 -2.863 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.623 -9.833 -2.142 1.00 0.00 C ATOM 1142 C LYS A 72 -18.394 -10.821 -3.008 1.00 0.00 C ATOM 1143 O LYS A 72 -19.593 -10.667 -3.248 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.543 -8.702 -1.675 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.886 -7.747 -0.693 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.901 -7.136 0.260 1.00 0.00 C ATOM 1147 CE LYS A 72 -20.009 -6.400 -0.475 1.00 0.00 C ATOM 1148 NZ LYS A 72 -21.095 -5.993 0.453 1.00 0.00 N ATOM 0 H LYS A 72 -16.610 -8.409 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.257 -10.351 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.882 -8.139 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.429 -9.135 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.125 -8.279 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.378 -6.954 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.337 -7.922 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.394 -6.446 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.599 -5.518 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.417 -7.040 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.836 -5.493 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -21.502 -6.838 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.709 -5.363 1.185 1.00 0.00 H new ATOM 1162 N ALA A 73 -17.675 -11.818 -3.493 1.00 0.00 N ATOM 1163 CA ALA A 73 -18.257 -12.917 -4.247 1.00 0.00 C ATOM 1164 C ALA A 73 -17.563 -14.226 -3.859 1.00 0.00 C ATOM 1165 O ALA A 73 -18.232 -15.203 -3.526 1.00 0.00 O ATOM 1166 CB ALA A 73 -18.177 -12.661 -5.749 1.00 0.00 C ATOM 0 H ALA A 73 -16.664 -11.889 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 73 -19.315 -12.997 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.620 -13.500 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.720 -11.748 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.133 -12.552 -6.044 1.00 0.00 H new ATOM 1172 N PRO A 74 -16.211 -14.277 -3.898 1.00 0.00 N ATOM 1173 CA PRO A 74 -15.461 -15.385 -3.310 1.00 0.00 C ATOM 1174 C PRO A 74 -15.538 -15.338 -1.789 1.00 0.00 C ATOM 1175 O PRO A 74 -14.978 -14.440 -1.157 1.00 0.00 O ATOM 1176 CB PRO A 74 -14.015 -15.160 -3.776 1.00 0.00 C ATOM 1177 CG PRO A 74 -14.096 -14.129 -4.848 1.00 0.00 C ATOM 1178 CD PRO A 74 -15.308 -13.306 -4.537 1.00 0.00 C ATOM 0 HA PRO A 74 -15.853 -16.356 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.386 -14.821 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.576 -16.084 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.198 -13.511 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.181 -14.593 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.072 -12.475 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.748 -12.878 -5.438 1.00 0.00 H new ATOM 1186 N GLU A 75 -16.257 -16.280 -1.210 1.00 0.00 N ATOM 1187 CA GLU A 75 -16.462 -16.303 0.227 1.00 0.00 C ATOM 1188 C GLU A 75 -15.214 -16.820 0.935 1.00 0.00 C ATOM 1189 O GLU A 75 -14.687 -17.884 0.599 1.00 0.00 O ATOM 1190 CB GLU A 75 -17.679 -17.164 0.566 1.00 0.00 C ATOM 1191 CG GLU A 75 -18.078 -17.117 2.029 1.00 0.00 C ATOM 1192 CD GLU A 75 -19.395 -17.815 2.284 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -19.391 -19.047 2.485 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -20.442 -17.135 2.275 1.00 0.00 O ATOM 0 H GLU A 75 -16.711 -17.042 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 75 -16.649 -15.287 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.523 -16.837 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -17.469 -18.197 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.299 -17.584 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.151 -16.078 2.351 1.00 0.00 H new ATOM 1201 N GLN A 76 -14.737 -16.048 1.902 1.00 0.00 N ATOM 1202 CA GLN A 76 -13.531 -16.398 2.634 1.00 0.00 C ATOM 1203 C GLN A 76 -13.839 -17.488 3.655 1.00 0.00 C ATOM 1204 O GLN A 76 -14.734 -17.334 4.487 1.00 0.00 O ATOM 1205 CB GLN A 76 -12.964 -15.168 3.345 1.00 0.00 C ATOM 1206 CG GLN A 76 -11.481 -15.281 3.657 1.00 0.00 C ATOM 1207 CD GLN A 76 -10.986 -14.183 4.577 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -11.543 -13.085 4.624 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -9.914 -14.462 5.294 1.00 0.00 N ATOM 0 H GLN A 76 -15.170 -15.173 2.197 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.789 -16.768 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.131 -14.289 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.512 -15.010 4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.285 -16.249 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.916 -15.250 2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.481 -15.383 5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.518 -13.756 5.915 1.00 0.00 H new ATOM 1218 N ALA A 77 -13.104 -18.587 3.581 1.00 0.00 N ATOM 1219 CA ALA A 77 -13.318 -19.710 4.483 1.00 0.00 C ATOM 1220 C ALA A 77 -12.789 -19.409 5.880 1.00 0.00 C ATOM 1221 O ALA A 77 -13.318 -19.902 6.877 1.00 0.00 O ATOM 1222 CB ALA A 77 -12.658 -20.961 3.930 1.00 0.00 C ATOM 0 H ALA A 77 -12.353 -18.726 2.905 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.392 -19.878 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.825 -21.793 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.087 -21.199 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.587 -20.790 3.822 1.00 0.00 H new ATOM 1228 N LEU A 78 -11.746 -18.594 5.951 1.00 0.00 N ATOM 1229 CA LEU A 78 -11.134 -18.267 7.228 1.00 0.00 C ATOM 1230 C LEU A 78 -11.732 -16.995 7.809 1.00 0.00 C ATOM 1231 O LEU A 78 -11.338 -15.884 7.455 1.00 0.00 O ATOM 1232 CB LEU A 78 -9.616 -18.130 7.088 1.00 0.00 C ATOM 1233 CG LEU A 78 -8.884 -19.421 6.713 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -7.387 -19.176 6.610 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -9.177 -20.513 7.734 1.00 0.00 C ATOM 0 H LEU A 78 -11.309 -18.150 5.143 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.342 -19.087 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.402 -17.375 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.211 -17.760 8.030 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.245 -19.752 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.884 -20.105 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.193 -18.425 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.009 -18.822 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.649 -21.425 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.843 -20.189 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.249 -20.708 7.761 1.00 0.00 H new ATOM 1247 N GLU A 79 -12.709 -17.177 8.681 1.00 0.00 N ATOM 1248 CA GLU A 79 -13.346 -16.072 9.378 1.00 0.00 C ATOM 1249 C GLU A 79 -12.306 -15.352 10.241 1.00 0.00 C ATOM 1250 O GLU A 79 -11.580 -15.991 11.004 1.00 0.00 O ATOM 1251 CB GLU A 79 -14.508 -16.623 10.222 1.00 0.00 C ATOM 1252 CG GLU A 79 -15.524 -15.584 10.685 1.00 0.00 C ATOM 1253 CD GLU A 79 -15.184 -14.975 12.029 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -15.017 -15.739 13.007 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -15.062 -13.733 12.110 1.00 0.00 O ATOM 0 H GLU A 79 -13.083 -18.094 8.926 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.751 -15.348 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.029 -17.384 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.095 -17.120 11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.588 -14.791 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.508 -16.048 10.742 1.00 0.00 H new ATOM 1262 N HIS A 80 -12.231 -14.024 10.100 1.00 0.00 N ATOM 1263 CA HIS A 80 -11.207 -13.216 10.784 1.00 0.00 C ATOM 1264 C HIS A 80 -11.309 -13.345 12.303 1.00 0.00 C ATOM 1265 O HIS A 80 -10.375 -13.002 13.030 1.00 0.00 O ATOM 1266 CB HIS A 80 -11.329 -11.738 10.394 1.00 0.00 C ATOM 1267 CG HIS A 80 -10.963 -11.433 8.967 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -11.759 -10.677 8.134 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -9.863 -11.752 8.242 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -11.165 -10.542 6.963 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -10.011 -11.184 6.997 1.00 0.00 N ATOM 0 H HIS A 80 -12.868 -13.481 9.517 1.00 0.00 H new ATOM 0 HA HIS A 80 -10.237 -13.597 10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.355 -11.413 10.569 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.691 -11.148 11.053 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.024 -12.343 8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.557 -9.997 6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.342 -11.248 6.230 1.00 0.00 H new ATOM 1280 N HIS A 81 -12.461 -13.819 12.753 1.00 0.00 N ATOM 1281 CA HIS A 81 -12.747 -14.084 14.156 1.00 0.00 C ATOM 1282 C HIS A 81 -13.080 -12.817 14.912 1.00 0.00 C ATOM 1283 O HIS A 81 -12.266 -12.271 15.656 1.00 0.00 O ATOM 1284 CB HIS A 81 -11.639 -14.883 14.850 1.00 0.00 C ATOM 1285 CG HIS A 81 -11.663 -16.336 14.495 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -12.772 -16.958 13.958 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -10.711 -17.294 14.599 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -12.503 -18.232 13.752 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -11.259 -18.461 14.128 1.00 0.00 N ATOM 0 H HIS A 81 -13.244 -14.036 12.136 1.00 0.00 H new ATOM 0 HA HIS A 81 -13.635 -14.716 14.170 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.670 -14.463 14.579 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.742 -14.776 15.930 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -13.661 -16.503 13.753 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.709 -17.164 14.981 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.185 -18.964 13.345 1.00 0.00 H new ATOM 1298 N HIS A 82 -14.294 -12.342 14.678 1.00 0.00 N ATOM 1299 CA HIS A 82 -14.869 -11.268 15.473 1.00 0.00 C ATOM 1300 C HIS A 82 -15.729 -11.886 16.567 1.00 0.00 C ATOM 1301 O HIS A 82 -16.269 -11.194 17.433 1.00 0.00 O ATOM 1302 CB HIS A 82 -15.711 -10.326 14.602 1.00 0.00 C ATOM 1303 CG HIS A 82 -14.911 -9.515 13.627 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -14.694 -8.163 13.772 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -14.282 -9.871 12.482 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -13.968 -7.723 12.762 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -13.700 -8.739 11.964 1.00 0.00 N ATOM 0 H HIS A 82 -14.904 -12.687 13.937 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.067 -10.676 15.915 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -16.444 -10.916 14.052 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -16.268 -9.649 15.250 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -14.245 -10.862 12.055 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -13.647 -6.703 12.613 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.152 -8.692 11.105 1.00 0.00 H new ATOM 1316 N HIS A 83 -15.855 -13.207 16.497 1.00 0.00 N ATOM 1317 CA HIS A 83 -16.622 -13.979 17.464 1.00 0.00 C ATOM 1318 C HIS A 83 -15.830 -15.211 17.877 1.00 0.00 C ATOM 1319 O HIS A 83 -15.142 -15.813 17.053 1.00 0.00 O ATOM 1320 CB HIS A 83 -17.968 -14.425 16.873 1.00 0.00 C ATOM 1321 CG HIS A 83 -18.933 -13.308 16.611 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -20.065 -13.096 17.369 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -18.932 -12.337 15.667 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -20.715 -12.046 16.902 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -20.049 -11.567 15.870 1.00 0.00 N ATOM 0 H HIS A 83 -15.426 -13.773 15.765 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.813 -13.345 18.330 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.782 -14.955 15.938 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.432 -15.137 17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.189 -12.195 14.896 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -21.637 -11.647 17.299 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -20.320 -10.756 15.313 1.00 0.00 H new ATOM 1334 N HIS A 84 -15.922 -15.575 19.146 1.00 0.00 N ATOM 1335 CA HIS A 84 -15.297 -16.801 19.631 1.00 0.00 C ATOM 1336 C HIS A 84 -16.324 -17.920 19.641 1.00 0.00 C ATOM 1337 O HIS A 84 -16.062 -19.033 19.180 1.00 0.00 O ATOM 1338 CB HIS A 84 -14.716 -16.608 21.035 1.00 0.00 C ATOM 1339 CG HIS A 84 -13.479 -15.764 21.072 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -13.451 -14.489 21.594 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -12.215 -16.028 20.669 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -12.226 -14.008 21.508 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -11.454 -14.922 20.954 1.00 0.00 N ATOM 0 H HIS A 84 -16.421 -15.043 19.859 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.476 -17.061 18.962 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -15.474 -16.151 21.671 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.489 -17.585 21.461 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.868 -16.941 20.208 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.908 -13.029 21.836 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.456 -14.823 20.768 1.00 0.00 H new ATOM 1352 N HIS A 85 -17.498 -17.598 20.163 1.00 0.00 N ATOM 1353 CA HIS A 85 -18.627 -18.511 20.190 1.00 0.00 C ATOM 1354 C HIS A 85 -19.885 -17.733 20.545 1.00 0.00 C ATOM 1355 O HIS A 85 -20.575 -17.269 19.618 1.00 0.00 O ATOM 1356 CB HIS A 85 -18.401 -19.643 21.199 1.00 0.00 C ATOM 1357 CG HIS A 85 -19.528 -20.630 21.251 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -19.743 -21.572 20.271 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -20.510 -20.810 22.164 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -20.808 -22.287 20.579 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -21.293 -21.848 21.724 1.00 0.00 N ATOM 1362 OXT HIS A 85 -20.148 -17.551 21.753 1.00 0.00 O ATOM 0 H HIS A 85 -17.694 -16.689 20.582 1.00 0.00 H new ATOM 0 HA HIS A 85 -18.737 -18.964 19.205 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.480 -20.168 20.944 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -18.259 -19.213 22.190 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -20.652 -20.242 23.071 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -21.215 -23.097 19.991 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -22.114 -22.218 22.203 1.00 0.00 H new TER 1371 HIS A 85