USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 66:sc= 0.185 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00138 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -5.91! C(o=-6.7!,f=-5.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.552 K(o=-0.55,f=-2.9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -1.35 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 124:sc= 0.828 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -41:sc= 0.69 USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.137 (180deg=-1.27) USER MOD Single : A 68 THR OG1 : rot -75:sc= 1.06 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.949 0.864 -4.738 1.00 0.00 N ATOM 2 CA MET A 1 0.209 2.058 -4.264 1.00 0.00 C ATOM 3 C MET A 1 1.097 3.289 -4.349 1.00 0.00 C ATOM 4 O MET A 1 2.076 3.401 -3.639 1.00 0.00 O ATOM 5 CB MET A 1 -0.213 1.866 -2.800 1.00 0.00 C ATOM 6 CG MET A 1 -1.184 2.982 -2.409 1.00 0.00 C ATOM 7 SD MET A 1 -2.290 2.670 -1.012 1.00 0.00 S ATOM 8 CE MET A 1 -1.293 3.493 0.256 1.00 0.00 C ATOM 0 H1 MET A 1 0.334 0.027 -4.676 1.00 0.00 H new ATOM 0 H2 MET A 1 1.242 1.006 -5.726 1.00 0.00 H new ATOM 0 H3 MET A 1 1.791 0.719 -4.145 1.00 0.00 H new ATOM 0 HA MET A 1 -0.671 2.189 -4.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.686 0.893 -2.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.662 1.884 -2.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.599 3.874 -2.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.798 3.215 -3.279 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.798 3.421 1.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.317 3.012 0.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.163 4.543 -0.008 1.00 0.00 H new ATOM 17 N SER A 2 0.740 4.193 -5.216 1.00 0.00 N ATOM 18 CA SER A 2 1.553 5.423 -5.359 1.00 0.00 C ATOM 19 C SER A 2 1.279 6.389 -4.215 1.00 0.00 C ATOM 20 O SER A 2 0.457 6.127 -3.361 1.00 0.00 O ATOM 21 CB SER A 2 1.172 6.104 -6.681 1.00 0.00 C ATOM 22 OG SER A 2 2.384 6.689 -7.130 1.00 0.00 O ATOM 0 H SER A 2 -0.075 4.131 -5.827 1.00 0.00 H new ATOM 0 HA SER A 2 2.609 5.155 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.785 5.385 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.397 6.856 -6.533 1.00 0.00 H new ATOM 0 HG SER A 2 2.229 7.149 -7.981 1.00 0.00 H new ATOM 28 N LYS A 3 1.974 7.492 -4.220 1.00 0.00 N ATOM 29 CA LYS A 3 1.766 8.485 -3.141 1.00 0.00 C ATOM 30 C LYS A 3 2.355 9.835 -3.526 1.00 0.00 C ATOM 31 O LYS A 3 2.536 10.698 -2.691 1.00 0.00 O ATOM 32 CB LYS A 3 2.471 7.978 -1.873 1.00 0.00 C ATOM 33 CG LYS A 3 1.750 8.532 -0.642 1.00 0.00 C ATOM 34 CD LYS A 3 2.668 8.406 0.576 1.00 0.00 C ATOM 35 CE LYS A 3 2.729 6.939 1.005 1.00 0.00 C ATOM 36 NZ LYS A 3 3.126 6.829 2.437 1.00 0.00 N ATOM 0 H LYS A 3 2.671 7.744 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 3 0.696 8.608 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.468 6.888 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.514 8.294 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.480 9.576 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.823 7.985 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.667 8.769 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.295 9.022 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.757 6.469 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.443 6.401 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.162 5.826 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.063 7.259 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.430 7.325 3.029 1.00 0.00 H new ATOM 50 N GLU A 4 2.649 9.994 -4.789 1.00 0.00 N ATOM 51 CA GLU A 4 3.225 11.282 -5.241 1.00 0.00 C ATOM 52 C GLU A 4 2.217 12.410 -5.066 1.00 0.00 C ATOM 53 O GLU A 4 1.239 12.484 -5.784 1.00 0.00 O ATOM 54 CB GLU A 4 3.576 11.158 -6.732 1.00 0.00 C ATOM 55 CG GLU A 4 4.637 10.069 -6.910 1.00 0.00 C ATOM 56 CD GLU A 4 6.010 10.635 -6.540 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.032 11.790 -6.147 1.00 0.00 O ATOM 58 OE2 GLU A 4 6.959 9.879 -6.669 1.00 0.00 O ATOM 0 H GLU A 4 2.515 9.292 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 4 4.111 11.508 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.684 10.912 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.948 12.110 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.403 9.211 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.642 9.716 -7.941 1.00 0.00 H new ATOM 65 N ASP A 5 2.474 13.269 -4.107 1.00 0.00 N ATOM 66 CA ASP A 5 1.545 14.408 -3.858 1.00 0.00 C ATOM 67 C ASP A 5 2.320 15.712 -3.716 1.00 0.00 C ATOM 68 O ASP A 5 3.322 15.915 -4.372 1.00 0.00 O ATOM 69 CB ASP A 5 0.793 14.136 -2.545 1.00 0.00 C ATOM 70 CG ASP A 5 1.746 14.339 -1.364 1.00 0.00 C ATOM 71 OD1 ASP A 5 2.936 14.190 -1.595 1.00 0.00 O ATOM 72 OD2 ASP A 5 1.232 14.634 -0.297 1.00 0.00 O ATOM 0 H ASP A 5 3.285 13.227 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 5 0.854 14.499 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.062 14.807 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.402 13.119 -2.541 1.00 0.00 H new ATOM 77 N SER A 6 1.836 16.577 -2.866 1.00 0.00 N ATOM 78 CA SER A 6 2.535 17.870 -2.672 1.00 0.00 C ATOM 79 C SER A 6 3.546 17.758 -1.541 1.00 0.00 C ATOM 80 O SER A 6 3.369 16.978 -0.627 1.00 0.00 O ATOM 81 CB SER A 6 1.494 18.938 -2.294 1.00 0.00 C ATOM 82 OG SER A 6 2.247 19.921 -1.599 1.00 0.00 O ATOM 0 H SER A 6 0.995 16.443 -2.305 1.00 0.00 H new ATOM 0 HA SER A 6 3.053 18.140 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.012 19.356 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.705 18.522 -1.667 1.00 0.00 H new ATOM 0 HG SER A 6 2.880 20.344 -2.216 1.00 0.00 H new ATOM 88 N PHE A 7 4.591 18.535 -1.616 1.00 0.00 N ATOM 89 CA PHE A 7 5.615 18.471 -0.540 1.00 0.00 C ATOM 90 C PHE A 7 6.432 19.749 -0.498 1.00 0.00 C ATOM 91 O PHE A 7 6.414 20.527 -1.428 1.00 0.00 O ATOM 92 CB PHE A 7 6.555 17.278 -0.808 1.00 0.00 C ATOM 93 CG PHE A 7 6.877 17.199 -2.301 1.00 0.00 C ATOM 94 CD1 PHE A 7 5.978 16.623 -3.177 1.00 0.00 C ATOM 95 CD2 PHE A 7 8.070 17.702 -2.794 1.00 0.00 C ATOM 96 CE1 PHE A 7 6.264 16.549 -4.524 1.00 0.00 C ATOM 97 CE2 PHE A 7 8.353 17.628 -4.142 1.00 0.00 C ATOM 98 CZ PHE A 7 7.451 17.051 -5.006 1.00 0.00 C ATOM 0 H PHE A 7 4.778 19.202 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 7 5.109 18.348 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.474 17.391 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.085 16.351 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.044 16.228 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.782 18.154 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.555 16.096 -5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.284 18.024 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 7 7.674 16.992 -6.061 1.00 0.00 H new ATOM 108 N GLU A 8 7.140 19.942 0.580 1.00 0.00 N ATOM 109 CA GLU A 8 7.963 21.166 0.700 1.00 0.00 C ATOM 110 C GLU A 8 9.364 20.952 0.139 1.00 0.00 C ATOM 111 O GLU A 8 9.853 19.842 0.081 1.00 0.00 O ATOM 112 CB GLU A 8 8.076 21.523 2.189 1.00 0.00 C ATOM 113 CG GLU A 8 6.673 21.706 2.768 1.00 0.00 C ATOM 114 CD GLU A 8 6.025 20.334 2.969 1.00 0.00 C ATOM 115 OE1 GLU A 8 6.663 19.525 3.623 1.00 0.00 O ATOM 116 OE2 GLU A 8 4.928 20.173 2.459 1.00 0.00 O ATOM 0 H GLU A 8 7.181 19.306 1.376 1.00 0.00 H new ATOM 0 HA GLU A 8 7.488 21.966 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.604 20.735 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.656 22.437 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.726 22.238 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.066 22.312 2.096 1.00 0.00 H new ATOM 123 N MET A 9 9.980 22.028 -0.265 1.00 0.00 N ATOM 124 CA MET A 9 11.347 21.930 -0.827 1.00 0.00 C ATOM 125 C MET A 9 12.031 23.290 -0.775 1.00 0.00 C ATOM 126 O MET A 9 11.473 24.277 -1.198 1.00 0.00 O ATOM 127 CB MET A 9 11.236 21.484 -2.292 1.00 0.00 C ATOM 128 CG MET A 9 12.520 20.760 -2.697 1.00 0.00 C ATOM 129 SD MET A 9 12.579 20.044 -4.356 1.00 0.00 S ATOM 130 CE MET A 9 14.210 19.274 -4.212 1.00 0.00 C ATOM 0 H MET A 9 9.591 22.970 -0.228 1.00 0.00 H new ATOM 0 HA MET A 9 11.931 21.215 -0.248 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.377 20.825 -2.420 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.073 22.348 -2.936 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.348 21.463 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.698 19.960 -1.978 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.455 18.764 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.958 20.041 -4.010 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.201 18.552 -3.395 1.00 0.00 H new ATOM 140 N GLU A 10 13.226 23.317 -0.259 1.00 0.00 N ATOM 141 CA GLU A 10 13.954 24.612 -0.174 1.00 0.00 C ATOM 142 C GLU A 10 14.477 25.046 -1.540 1.00 0.00 C ATOM 143 O GLU A 10 14.884 24.227 -2.339 1.00 0.00 O ATOM 144 CB GLU A 10 15.142 24.429 0.780 1.00 0.00 C ATOM 145 CG GLU A 10 14.622 23.949 2.135 1.00 0.00 C ATOM 146 CD GLU A 10 15.653 23.016 2.775 1.00 0.00 C ATOM 147 OE1 GLU A 10 15.954 22.021 2.136 1.00 0.00 O ATOM 148 OE2 GLU A 10 16.082 23.352 3.866 1.00 0.00 O ATOM 0 H GLU A 10 13.727 22.506 0.105 1.00 0.00 H new ATOM 0 HA GLU A 10 13.270 25.380 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.847 23.706 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.681 25.369 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.433 24.802 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.673 23.428 2.009 1.00 0.00 H new ATOM 155 N GLY A 11 14.454 26.337 -1.786 1.00 0.00 N ATOM 156 CA GLY A 11 14.949 26.838 -3.098 1.00 0.00 C ATOM 157 C GLY A 11 15.324 28.307 -2.968 1.00 0.00 C ATOM 158 O GLY A 11 15.354 28.839 -1.875 1.00 0.00 O ATOM 0 H GLY A 11 14.118 27.052 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.814 26.257 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.181 26.713 -3.861 1.00 0.00 H new ATOM 162 N THR A 12 15.598 28.929 -4.082 1.00 0.00 N ATOM 163 CA THR A 12 15.972 30.363 -4.053 1.00 0.00 C ATOM 164 C THR A 12 15.091 31.143 -5.010 1.00 0.00 C ATOM 165 O THR A 12 14.621 30.605 -5.988 1.00 0.00 O ATOM 166 CB THR A 12 17.432 30.489 -4.494 1.00 0.00 C ATOM 167 OG1 THR A 12 18.098 29.404 -3.879 1.00 0.00 O ATOM 168 CG2 THR A 12 18.084 31.737 -3.885 1.00 0.00 C ATOM 0 H THR A 12 15.578 28.503 -5.008 1.00 0.00 H new ATOM 0 HA THR A 12 15.842 30.761 -3.046 1.00 0.00 H new ATOM 0 HB THR A 12 17.488 30.524 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.047 29.422 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.121 31.803 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.543 32.626 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.052 31.670 -2.798 1.00 0.00 H new ATOM 176 N VAL A 13 14.887 32.397 -4.716 1.00 0.00 N ATOM 177 CA VAL A 13 14.006 33.240 -5.637 1.00 0.00 C ATOM 178 C VAL A 13 14.782 34.237 -6.477 1.00 0.00 C ATOM 179 O VAL A 13 15.127 35.272 -5.987 1.00 0.00 O ATOM 180 CB VAL A 13 13.078 34.096 -4.756 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.081 34.839 -5.647 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.320 33.187 -3.782 1.00 0.00 C ATOM 0 H VAL A 13 15.271 32.883 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 13 13.492 32.539 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 13 13.669 34.817 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.422 35.447 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.622 35.483 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.488 34.118 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.662 33.791 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.726 32.467 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.032 32.656 -3.151 1.00 0.00 H new ATOM 192 N VAL A 14 14.991 33.960 -7.754 1.00 0.00 N ATOM 193 CA VAL A 14 15.741 34.945 -8.547 1.00 0.00 C ATOM 194 C VAL A 14 15.162 35.051 -9.949 1.00 0.00 C ATOM 195 O VAL A 14 15.636 34.467 -10.900 1.00 0.00 O ATOM 196 CB VAL A 14 17.200 34.458 -8.625 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.141 35.611 -8.269 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.406 33.311 -7.634 1.00 0.00 C ATOM 0 H VAL A 14 14.680 33.123 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 14 15.680 35.929 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 14 17.415 34.111 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.174 35.268 -8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.993 36.431 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.927 35.957 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.438 32.965 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.192 33.660 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.734 32.490 -7.883 1.00 0.00 H new ATOM 208 N ASP A 15 14.149 35.839 -10.003 1.00 0.00 N ATOM 209 CA ASP A 15 13.413 36.115 -11.266 1.00 0.00 C ATOM 210 C ASP A 15 12.166 36.893 -10.937 1.00 0.00 C ATOM 211 O ASP A 15 11.591 36.693 -9.883 1.00 0.00 O ATOM 212 CB ASP A 15 12.968 34.836 -11.927 1.00 0.00 C ATOM 213 CG ASP A 15 12.276 35.179 -13.249 1.00 0.00 C ATOM 214 OD1 ASP A 15 13.004 35.510 -14.170 1.00 0.00 O ATOM 215 OD2 ASP A 15 11.060 35.093 -13.262 1.00 0.00 O ATOM 0 H ASP A 15 13.776 36.331 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 15 14.079 36.664 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.824 34.186 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.286 34.291 -11.274 1.00 0.00 H new ATOM 220 N THR A 16 11.739 37.719 -11.835 1.00 0.00 N ATOM 221 CA THR A 16 10.508 38.517 -11.575 1.00 0.00 C ATOM 222 C THR A 16 9.469 38.244 -12.652 1.00 0.00 C ATOM 223 O THR A 16 9.512 38.822 -13.720 1.00 0.00 O ATOM 224 CB THR A 16 10.877 40.001 -11.605 1.00 0.00 C ATOM 225 OG1 THR A 16 9.655 40.690 -11.776 1.00 0.00 O ATOM 226 CG2 THR A 16 11.689 40.331 -12.865 1.00 0.00 C ATOM 0 H THR A 16 12.183 37.882 -12.739 1.00 0.00 H new ATOM 0 HA THR A 16 10.094 38.242 -10.605 1.00 0.00 H new ATOM 0 HB THR A 16 11.438 40.261 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.824 41.655 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.942 41.391 -12.868 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.605 39.740 -12.873 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.098 40.097 -13.750 1.00 0.00 H new ATOM 234 N LEU A 17 8.549 37.361 -12.351 1.00 0.00 N ATOM 235 CA LEU A 17 7.502 37.039 -13.343 1.00 0.00 C ATOM 236 C LEU A 17 6.357 38.063 -13.240 1.00 0.00 C ATOM 237 O LEU A 17 6.309 38.838 -12.296 1.00 0.00 O ATOM 238 CB LEU A 17 6.966 35.625 -13.031 1.00 0.00 C ATOM 239 CG LEU A 17 7.912 34.569 -13.632 1.00 0.00 C ATOM 240 CD1 LEU A 17 8.579 33.796 -12.506 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.104 33.604 -14.499 1.00 0.00 C ATOM 0 H LEU A 17 8.485 36.858 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 17 7.912 37.074 -14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.887 35.485 -11.953 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.964 35.506 -13.443 1.00 0.00 H new ATOM 0 HG LEU A 17 8.672 35.059 -14.240 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.250 33.047 -12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.149 34.483 -11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.817 33.303 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.770 32.854 -14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.348 33.111 -13.887 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.617 34.157 -15.302 1.00 0.00 H new ATOM 253 N PRO A 18 5.412 38.025 -14.179 1.00 0.00 N ATOM 254 CA PRO A 18 4.301 38.964 -14.147 1.00 0.00 C ATOM 255 C PRO A 18 3.077 38.348 -13.504 1.00 0.00 C ATOM 256 O PRO A 18 2.976 37.144 -13.373 1.00 0.00 O ATOM 257 CB PRO A 18 3.983 39.196 -15.635 1.00 0.00 C ATOM 258 CG PRO A 18 4.613 37.994 -16.417 1.00 0.00 C ATOM 259 CD PRO A 18 5.488 37.217 -15.410 1.00 0.00 C ATOM 0 HA PRO A 18 4.552 39.863 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.906 39.244 -15.799 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.400 40.143 -15.978 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.835 37.351 -16.830 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.212 38.349 -17.256 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.111 36.207 -15.249 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.515 37.122 -15.763 1.00 0.00 H new ATOM 267 N ASN A 19 2.178 39.200 -13.096 1.00 0.00 N ATOM 268 CA ASN A 19 0.940 38.721 -12.448 1.00 0.00 C ATOM 269 C ASN A 19 1.235 38.362 -11.003 1.00 0.00 C ATOM 270 O ASN A 19 0.559 37.550 -10.407 1.00 0.00 O ATOM 271 CB ASN A 19 0.419 37.476 -13.191 1.00 0.00 C ATOM 272 CG ASN A 19 -1.112 37.516 -13.227 1.00 0.00 C ATOM 273 OD1 ASN A 19 -1.709 38.069 -14.129 1.00 0.00 O ATOM 274 ND2 ASN A 19 -1.785 36.945 -12.265 1.00 0.00 N ATOM 0 H ASN A 19 2.254 40.213 -13.187 1.00 0.00 H new ATOM 0 HA ASN A 19 0.184 39.505 -12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.818 37.449 -14.205 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.760 36.570 -12.690 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.805 36.965 -12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.291 36.479 -11.504 1.00 0.00 H new ATOM 281 N THR A 20 2.261 38.985 -10.472 1.00 0.00 N ATOM 282 CA THR A 20 2.649 38.719 -9.065 1.00 0.00 C ATOM 283 C THR A 20 3.295 37.342 -8.925 1.00 0.00 C ATOM 284 O THR A 20 2.799 36.491 -8.213 1.00 0.00 O ATOM 285 CB THR A 20 1.383 38.784 -8.189 1.00 0.00 C ATOM 286 OG1 THR A 20 0.538 39.717 -8.829 1.00 0.00 O ATOM 287 CG2 THR A 20 1.691 39.420 -6.825 1.00 0.00 C ATOM 0 H THR A 20 2.843 39.666 -10.960 1.00 0.00 H new ATOM 0 HA THR A 20 3.375 39.467 -8.748 1.00 0.00 H new ATOM 0 HB THR A 20 0.972 37.783 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.295 39.807 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.781 39.454 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.444 38.825 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.067 40.433 -6.972 1.00 0.00 H new ATOM 295 N MET A 21 4.403 37.138 -9.609 1.00 0.00 N ATOM 296 CA MET A 21 5.072 35.818 -9.511 1.00 0.00 C ATOM 297 C MET A 21 6.578 35.956 -9.633 1.00 0.00 C ATOM 298 O MET A 21 7.082 36.998 -10.007 1.00 0.00 O ATOM 299 CB MET A 21 4.573 34.933 -10.665 1.00 0.00 C ATOM 300 CG MET A 21 3.174 34.411 -10.337 1.00 0.00 C ATOM 301 SD MET A 21 2.401 33.295 -11.540 1.00 0.00 S ATOM 302 CE MET A 21 0.709 33.389 -10.897 1.00 0.00 C ATOM 0 H MET A 21 4.857 37.821 -10.216 1.00 0.00 H new ATOM 0 HA MET A 21 4.837 35.380 -8.541 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.552 35.504 -11.593 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.257 34.099 -10.820 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.223 33.893 -9.379 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.516 35.270 -10.202 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.054 32.763 -11.503 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.692 33.039 -9.865 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.362 34.422 -10.936 1.00 0.00 H new ATOM 312 N PHE A 22 7.273 34.903 -9.315 1.00 0.00 N ATOM 313 CA PHE A 22 8.738 34.942 -9.406 1.00 0.00 C ATOM 314 C PHE A 22 9.235 33.554 -9.765 1.00 0.00 C ATOM 315 O PHE A 22 8.515 32.593 -9.586 1.00 0.00 O ATOM 316 CB PHE A 22 9.288 35.343 -8.028 1.00 0.00 C ATOM 317 CG PHE A 22 8.533 36.578 -7.536 1.00 0.00 C ATOM 318 CD1 PHE A 22 7.284 36.449 -6.952 1.00 0.00 C ATOM 319 CD2 PHE A 22 9.078 37.841 -7.682 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.595 37.565 -6.523 1.00 0.00 C ATOM 321 CE2 PHE A 22 8.385 38.955 -7.251 1.00 0.00 C ATOM 322 CZ PHE A 22 7.145 38.814 -6.673 1.00 0.00 C ATOM 0 H PHE A 22 6.879 34.018 -8.996 1.00 0.00 H new ATOM 0 HA PHE A 22 9.065 35.655 -10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.170 34.522 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.355 35.555 -8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.846 35.469 -6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.051 37.957 -8.136 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.621 37.456 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.817 39.938 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.604 39.686 -6.337 1.00 0.00 H new ATOM 332 N ARG A 23 10.447 33.450 -10.257 1.00 0.00 N ATOM 333 CA ARG A 23 10.946 32.077 -10.614 1.00 0.00 C ATOM 334 C ARG A 23 11.772 31.559 -9.489 1.00 0.00 C ATOM 335 O ARG A 23 12.686 32.224 -9.035 1.00 0.00 O ATOM 336 CB ARG A 23 11.838 32.102 -11.874 1.00 0.00 C ATOM 337 CG ARG A 23 11.873 30.701 -12.491 1.00 0.00 C ATOM 338 CD ARG A 23 12.401 30.793 -13.926 1.00 0.00 C ATOM 339 NE ARG A 23 13.083 32.107 -14.108 1.00 0.00 N ATOM 340 CZ ARG A 23 14.128 32.187 -14.889 1.00 0.00 C ATOM 341 NH1 ARG A 23 14.033 31.763 -16.119 1.00 0.00 N ATOM 342 NH2 ARG A 23 15.234 32.695 -14.413 1.00 0.00 N ATOM 0 H ARG A 23 11.093 34.221 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 23 10.078 31.447 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.450 32.821 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.847 32.424 -11.614 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.511 30.046 -11.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.875 30.264 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.096 29.977 -14.125 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.580 30.693 -14.636 1.00 0.00 H new ATOM 0 HE ARG A 23 12.737 32.937 -13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.152 31.376 -16.458 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.839 31.818 -16.741 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.271 33.021 -13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.060 32.766 -15.007 1.00 0.00 H new ATOM 356 N VAL A 24 11.450 30.383 -9.050 1.00 0.00 N ATOM 357 CA VAL A 24 12.205 29.796 -7.947 1.00 0.00 C ATOM 358 C VAL A 24 13.103 28.740 -8.510 1.00 0.00 C ATOM 359 O VAL A 24 12.651 27.842 -9.194 1.00 0.00 O ATOM 360 CB VAL A 24 11.213 29.173 -6.971 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.922 28.135 -6.132 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.668 30.262 -6.054 1.00 0.00 C ATOM 0 H VAL A 24 10.691 29.808 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 24 12.803 30.546 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 24 10.398 28.706 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.215 27.688 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.331 27.360 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.732 28.608 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.957 29.825 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.490 30.717 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.166 31.023 -6.651 1.00 0.00 H new ATOM 372 N GLU A 25 14.351 28.848 -8.219 1.00 0.00 N ATOM 373 CA GLU A 25 15.294 27.850 -8.745 1.00 0.00 C ATOM 374 C GLU A 25 15.555 26.707 -7.784 1.00 0.00 C ATOM 375 O GLU A 25 15.839 26.884 -6.615 1.00 0.00 O ATOM 376 CB GLU A 25 16.623 28.560 -9.028 1.00 0.00 C ATOM 377 CG GLU A 25 16.448 29.504 -10.218 1.00 0.00 C ATOM 378 CD GLU A 25 17.804 30.111 -10.588 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.751 29.784 -9.892 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.815 30.869 -11.544 1.00 0.00 O ATOM 0 H GLU A 25 14.761 29.582 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 25 14.852 27.418 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.944 29.120 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.402 27.828 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.035 28.962 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.739 30.294 -9.969 1.00 0.00 H new ATOM 387 N LEU A 26 15.444 25.572 -8.339 1.00 0.00 N ATOM 388 CA LEU A 26 15.647 24.320 -7.646 1.00 0.00 C ATOM 389 C LEU A 26 16.656 23.609 -8.502 1.00 0.00 C ATOM 390 O LEU A 26 16.569 22.420 -8.726 1.00 0.00 O ATOM 391 CB LEU A 26 14.330 23.524 -7.569 1.00 0.00 C ATOM 392 CG LEU A 26 13.344 24.296 -6.708 1.00 0.00 C ATOM 393 CD1 LEU A 26 12.002 23.571 -6.710 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.870 24.367 -5.274 1.00 0.00 C ATOM 0 H LEU A 26 15.201 25.457 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 26 15.980 24.447 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.921 23.372 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.510 22.536 -7.145 1.00 0.00 H new ATOM 0 HG LEU A 26 13.222 25.304 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.291 24.121 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.624 23.507 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.131 22.566 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.164 24.920 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.986 23.358 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.835 24.873 -5.265 1.00 0.00 H new ATOM 406 N GLU A 27 17.563 24.444 -9.059 1.00 0.00 N ATOM 407 CA GLU A 27 18.641 23.962 -9.954 1.00 0.00 C ATOM 408 C GLU A 27 19.191 22.640 -9.535 1.00 0.00 C ATOM 409 O GLU A 27 20.010 22.069 -10.225 1.00 0.00 O ATOM 410 CB GLU A 27 19.764 24.998 -9.917 1.00 0.00 C ATOM 411 CG GLU A 27 20.258 25.243 -11.335 1.00 0.00 C ATOM 412 CD GLU A 27 19.114 25.792 -12.191 1.00 0.00 C ATOM 413 OE1 GLU A 27 18.697 26.898 -11.893 1.00 0.00 O ATOM 414 OE2 GLU A 27 18.723 25.073 -13.097 1.00 0.00 O ATOM 0 H GLU A 27 17.570 25.452 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 27 18.227 23.833 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.404 25.928 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 27 20.582 24.645 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.089 25.949 -11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.634 24.315 -11.765 1.00 0.00 H new ATOM 421 N ASN A 28 18.768 22.166 -8.428 1.00 0.00 N ATOM 422 CA ASN A 28 19.262 20.877 -8.004 1.00 0.00 C ATOM 423 C ASN A 28 18.604 19.878 -8.964 1.00 0.00 C ATOM 424 O ASN A 28 18.412 18.718 -8.659 1.00 0.00 O ATOM 425 CB ASN A 28 18.796 20.600 -6.569 1.00 0.00 C ATOM 426 CG ASN A 28 19.807 21.191 -5.589 1.00 0.00 C ATOM 427 OD1 ASN A 28 19.645 22.291 -5.099 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.868 20.499 -5.283 1.00 0.00 N ATOM 0 H ASN A 28 18.102 22.619 -7.802 1.00 0.00 H new ATOM 0 HA ASN A 28 20.350 20.816 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.812 21.038 -6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.699 19.527 -6.406 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.557 20.881 -4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.009 19.575 -5.691 1.00 0.00 H new ATOM 435 N GLY A 29 18.275 20.411 -10.146 1.00 0.00 N ATOM 436 CA GLY A 29 17.628 19.620 -11.207 1.00 0.00 C ATOM 437 C GLY A 29 16.198 20.166 -11.505 1.00 0.00 C ATOM 438 O GLY A 29 15.595 19.768 -12.484 1.00 0.00 O ATOM 0 H GLY A 29 18.445 21.386 -10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.232 19.654 -12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.568 18.575 -10.903 1.00 0.00 H new ATOM 442 N HIS A 30 15.681 21.072 -10.650 1.00 0.00 N ATOM 443 CA HIS A 30 14.295 21.625 -10.904 1.00 0.00 C ATOM 444 C HIS A 30 14.224 23.179 -10.985 1.00 0.00 C ATOM 445 O HIS A 30 15.050 23.882 -10.457 1.00 0.00 O ATOM 446 CB HIS A 30 13.389 21.164 -9.755 1.00 0.00 C ATOM 447 CG HIS A 30 12.693 19.866 -10.159 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.260 18.893 -10.693 1.00 0.00 N ATOM 449 CD2 HIS A 30 11.366 19.499 -10.038 1.00 0.00 C ATOM 450 CE1 HIS A 30 12.448 17.949 -10.925 1.00 0.00 C ATOM 451 NE2 HIS A 30 11.205 18.243 -10.539 1.00 0.00 N ATOM 0 H HIS A 30 16.152 21.432 -9.820 1.00 0.00 H new ATOM 0 HA HIS A 30 13.980 21.251 -11.878 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.977 21.010 -8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.650 21.932 -9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.583 20.110 -9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.730 17.012 -11.383 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.359 17.677 -10.602 1.00 0.00 H new ATOM 459 N VAL A 31 13.258 23.650 -11.730 1.00 0.00 N ATOM 460 CA VAL A 31 13.045 25.127 -11.901 1.00 0.00 C ATOM 461 C VAL A 31 11.551 25.382 -11.632 1.00 0.00 C ATOM 462 O VAL A 31 10.735 24.596 -12.072 1.00 0.00 O ATOM 463 CB VAL A 31 13.391 25.513 -13.353 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.177 25.275 -14.256 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.771 26.994 -13.403 1.00 0.00 C ATOM 0 H VAL A 31 12.594 23.066 -12.238 1.00 0.00 H new ATOM 0 HA VAL A 31 13.669 25.713 -11.226 1.00 0.00 H new ATOM 0 HB VAL A 31 14.225 24.903 -13.700 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.427 25.549 -15.281 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.898 24.222 -14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.342 25.884 -13.911 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.017 27.272 -14.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.932 27.597 -13.054 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.635 27.170 -12.762 1.00 0.00 H new ATOM 475 N VAL A 32 11.184 26.448 -10.935 1.00 0.00 N ATOM 476 CA VAL A 32 9.729 26.649 -10.697 1.00 0.00 C ATOM 477 C VAL A 32 9.338 28.107 -10.624 1.00 0.00 C ATOM 478 O VAL A 32 10.163 28.994 -10.658 1.00 0.00 O ATOM 479 CB VAL A 32 9.388 26.023 -9.361 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.914 25.666 -9.328 1.00 0.00 C ATOM 481 CG2 VAL A 32 10.211 24.756 -9.159 1.00 0.00 C ATOM 0 H VAL A 32 11.809 27.152 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 32 9.194 26.198 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 32 9.613 26.735 -8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.670 25.216 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.318 26.568 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.693 24.958 -10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.962 24.310 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.989 24.047 -9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.272 25.004 -9.180 1.00 0.00 H new ATOM 491 N THR A 33 8.058 28.301 -10.520 1.00 0.00 N ATOM 492 CA THR A 33 7.497 29.659 -10.434 1.00 0.00 C ATOM 493 C THR A 33 6.627 29.725 -9.206 1.00 0.00 C ATOM 494 O THR A 33 5.570 29.125 -9.172 1.00 0.00 O ATOM 495 CB THR A 33 6.644 29.911 -11.671 1.00 0.00 C ATOM 496 OG1 THR A 33 7.555 30.284 -12.685 1.00 0.00 O ATOM 497 CG2 THR A 33 5.750 31.144 -11.481 1.00 0.00 C ATOM 0 H THR A 33 7.366 27.553 -10.491 1.00 0.00 H new ATOM 0 HA THR A 33 8.289 30.406 -10.376 1.00 0.00 H new ATOM 0 HB THR A 33 6.037 29.031 -11.884 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.066 30.460 -13.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.152 31.301 -12.378 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.090 30.987 -10.628 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.372 32.021 -11.302 1.00 0.00 H new ATOM 505 N ALA A 34 7.075 30.454 -8.213 1.00 0.00 N ATOM 506 CA ALA A 34 6.272 30.557 -6.970 1.00 0.00 C ATOM 507 C ALA A 34 5.721 31.948 -6.776 1.00 0.00 C ATOM 508 O ALA A 34 5.939 32.832 -7.581 1.00 0.00 O ATOM 509 CB ALA A 34 7.188 30.228 -5.785 1.00 0.00 C ATOM 0 H ALA A 34 7.952 30.974 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 34 5.433 29.865 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.621 30.297 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.579 29.217 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.016 30.936 -5.758 1.00 0.00 H new ATOM 515 N HIS A 35 5.010 32.117 -5.705 1.00 0.00 N ATOM 516 CA HIS A 35 4.425 33.437 -5.418 1.00 0.00 C ATOM 517 C HIS A 35 4.232 33.593 -3.917 1.00 0.00 C ATOM 518 O HIS A 35 4.019 32.615 -3.217 1.00 0.00 O ATOM 519 CB HIS A 35 3.052 33.527 -6.112 1.00 0.00 C ATOM 520 CG HIS A 35 2.323 34.783 -5.628 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.821 36.040 -5.353 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 1.096 34.856 -5.403 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 1.801 36.848 -4.954 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.762 36.017 -5.019 1.00 0.00 N flip ATOM 0 H HIS A 35 4.810 31.392 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 35 5.087 34.222 -5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.180 33.561 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.460 32.640 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.407 34.033 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.827 37.887 -4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.194 36.285 -4.786 1.00 0.00 H new ATOM 532 N ILE A 36 4.311 34.810 -3.442 1.00 0.00 N ATOM 533 CA ILE A 36 4.134 35.042 -1.983 1.00 0.00 C ATOM 534 C ILE A 36 2.762 35.637 -1.695 1.00 0.00 C ATOM 535 O ILE A 36 2.230 36.388 -2.489 1.00 0.00 O ATOM 536 CB ILE A 36 5.200 36.029 -1.518 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.154 36.158 -0.002 1.00 0.00 C ATOM 538 CG2 ILE A 36 4.900 37.405 -2.136 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.451 36.805 0.485 1.00 0.00 C ATOM 0 H ILE A 36 4.489 35.645 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 36 4.224 34.091 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 36 6.184 35.675 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.297 36.761 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.029 35.176 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.655 38.122 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.917 37.327 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.916 37.743 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.425 36.900 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.299 36.184 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.556 37.793 0.036 1.00 0.00 H new ATOM 551 N SER A 37 2.211 35.291 -0.563 1.00 0.00 N ATOM 552 CA SER A 37 0.875 35.829 -0.212 1.00 0.00 C ATOM 553 C SER A 37 0.852 37.347 -0.350 1.00 0.00 C ATOM 554 O SER A 37 1.881 37.991 -0.308 1.00 0.00 O ATOM 555 CB SER A 37 0.572 35.465 1.250 1.00 0.00 C ATOM 556 OG SER A 37 0.126 34.118 1.187 1.00 0.00 O ATOM 0 H SER A 37 2.627 34.664 0.126 1.00 0.00 H new ATOM 0 HA SER A 37 0.132 35.402 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.458 35.562 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.191 36.118 1.673 1.00 0.00 H new ATOM 0 HG SER A 37 -0.090 33.802 2.089 1.00 0.00 H new ATOM 562 N GLY A 38 -0.322 37.892 -0.512 1.00 0.00 N ATOM 563 CA GLY A 38 -0.427 39.371 -0.655 1.00 0.00 C ATOM 564 C GLY A 38 -0.355 40.043 0.718 1.00 0.00 C ATOM 565 O GLY A 38 0.290 41.059 0.884 1.00 0.00 O ATOM 0 H GLY A 38 -1.205 37.383 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.378 39.740 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.365 39.630 -1.146 1.00 0.00 H new ATOM 569 N LYS A 39 -1.021 39.458 1.676 1.00 0.00 N ATOM 570 CA LYS A 39 -1.004 40.045 3.038 1.00 0.00 C ATOM 571 C LYS A 39 0.423 40.338 3.486 1.00 0.00 C ATOM 572 O LYS A 39 0.733 41.436 3.904 1.00 0.00 O ATOM 573 CB LYS A 39 -1.625 39.031 4.010 1.00 0.00 C ATOM 574 CG LYS A 39 -3.095 38.820 3.643 1.00 0.00 C ATOM 575 CD LYS A 39 -3.843 38.277 4.864 1.00 0.00 C ATOM 576 CE LYS A 39 -5.195 37.716 4.419 1.00 0.00 C ATOM 577 NZ LYS A 39 -5.063 36.286 4.018 1.00 0.00 N ATOM 0 H LYS A 39 -1.571 38.605 1.572 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.567 40.979 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.086 38.085 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.542 39.393 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.540 39.760 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.178 38.122 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.255 37.498 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.989 39.070 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.917 37.807 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.580 38.300 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.990 35.922 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.390 36.207 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.717 35.730 4.826 1.00 0.00 H new ATOM 591 N MET A 40 1.267 39.348 3.394 1.00 0.00 N ATOM 592 CA MET A 40 2.675 39.550 3.808 1.00 0.00 C ATOM 593 C MET A 40 3.329 40.661 2.996 1.00 0.00 C ATOM 594 O MET A 40 3.988 41.526 3.538 1.00 0.00 O ATOM 595 CB MET A 40 3.441 38.240 3.564 1.00 0.00 C ATOM 596 CG MET A 40 2.917 37.166 4.520 1.00 0.00 C ATOM 597 SD MET A 40 1.150 36.782 4.454 1.00 0.00 S ATOM 598 CE MET A 40 1.234 35.174 5.282 1.00 0.00 C ATOM 0 H MET A 40 1.040 38.414 3.051 1.00 0.00 H new ATOM 0 HA MET A 40 2.700 39.831 4.861 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.314 37.917 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.509 38.394 3.721 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.469 36.246 4.328 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.157 37.475 5.537 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.233 34.747 5.351 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.876 34.504 4.710 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.644 35.302 6.284 1.00 0.00 H new ATOM 608 N ARG A 41 3.133 40.616 1.709 1.00 0.00 N ATOM 609 CA ARG A 41 3.729 41.653 0.842 1.00 0.00 C ATOM 610 C ARG A 41 3.367 43.050 1.327 1.00 0.00 C ATOM 611 O ARG A 41 4.217 43.911 1.440 1.00 0.00 O ATOM 612 CB ARG A 41 3.171 41.470 -0.572 1.00 0.00 C ATOM 613 CG ARG A 41 4.251 41.843 -1.583 1.00 0.00 C ATOM 614 CD ARG A 41 3.649 41.868 -2.994 1.00 0.00 C ATOM 615 NE ARG A 41 2.242 42.355 -2.920 1.00 0.00 N ATOM 616 CZ ARG A 41 1.991 43.623 -3.107 1.00 0.00 C ATOM 617 NH1 ARG A 41 1.815 44.058 -4.323 1.00 0.00 N ATOM 618 NH2 ARG A 41 1.922 44.412 -2.069 1.00 0.00 N ATOM 0 H ARG A 41 2.585 39.904 1.225 1.00 0.00 H new ATOM 0 HA ARG A 41 4.814 41.549 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.855 40.438 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.290 42.096 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.671 42.819 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.069 41.124 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.237 42.518 -3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.678 40.870 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 41 1.482 41.703 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.874 43.411 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.618 45.045 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.063 44.035 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.727 45.405 -2.195 1.00 0.00 H new ATOM 632 N LYS A 42 2.112 43.249 1.603 1.00 0.00 N ATOM 633 CA LYS A 42 1.674 44.577 2.079 1.00 0.00 C ATOM 634 C LYS A 42 1.981 44.761 3.560 1.00 0.00 C ATOM 635 O LYS A 42 1.978 45.868 4.062 1.00 0.00 O ATOM 636 CB LYS A 42 0.155 44.688 1.871 1.00 0.00 C ATOM 637 CG LYS A 42 -0.153 44.619 0.373 1.00 0.00 C ATOM 638 CD LYS A 42 -1.661 44.440 0.179 1.00 0.00 C ATOM 639 CE LYS A 42 -1.983 44.466 -1.318 1.00 0.00 C ATOM 640 NZ LYS A 42 -2.893 45.602 -1.634 1.00 0.00 N ATOM 0 H LYS A 42 1.375 42.549 1.519 1.00 0.00 H new ATOM 0 HA LYS A 42 2.207 45.345 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.356 43.882 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.214 45.625 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.184 45.529 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.386 43.789 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.987 43.496 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.203 45.234 0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.062 44.559 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.449 43.526 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.102 45.606 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.779 45.496 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.434 46.498 -1.371 1.00 0.00 H new ATOM 654 N ASN A 43 2.246 43.672 4.234 1.00 0.00 N ATOM 655 CA ASN A 43 2.555 43.766 5.686 1.00 0.00 C ATOM 656 C ASN A 43 4.059 43.777 5.929 1.00 0.00 C ATOM 657 O ASN A 43 4.505 43.844 7.058 1.00 0.00 O ATOM 658 CB ASN A 43 1.952 42.541 6.391 1.00 0.00 C ATOM 659 CG ASN A 43 1.999 42.756 7.906 1.00 0.00 C ATOM 660 OD1 ASN A 43 2.252 43.845 8.381 1.00 0.00 O ATOM 661 ND2 ASN A 43 1.761 41.748 8.697 1.00 0.00 N ATOM 0 H ASN A 43 2.261 42.730 3.843 1.00 0.00 H new ATOM 0 HA ASN A 43 2.134 44.693 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.923 42.389 6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.507 41.642 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.788 41.876 9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.548 40.831 8.305 1.00 0.00 H new ATOM 668 N TYR A 44 4.818 43.715 4.870 1.00 0.00 N ATOM 669 CA TYR A 44 6.288 43.721 5.034 1.00 0.00 C ATOM 670 C TYR A 44 6.980 44.141 3.746 1.00 0.00 C ATOM 671 O TYR A 44 6.423 44.029 2.672 1.00 0.00 O ATOM 672 CB TYR A 44 6.743 42.298 5.393 1.00 0.00 C ATOM 673 CG TYR A 44 6.378 41.997 6.849 1.00 0.00 C ATOM 674 CD1 TYR A 44 7.108 42.547 7.884 1.00 0.00 C ATOM 675 CD2 TYR A 44 5.313 41.172 7.147 1.00 0.00 C ATOM 676 CE1 TYR A 44 6.779 42.273 9.196 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.983 40.899 8.459 1.00 0.00 C ATOM 678 CZ TYR A 44 5.714 41.448 9.494 1.00 0.00 C ATOM 679 OH TYR A 44 5.383 41.175 10.806 1.00 0.00 O ATOM 0 H TYR A 44 4.482 43.661 3.908 1.00 0.00 H new ATOM 0 HA TYR A 44 6.551 44.430 5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.267 41.575 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.819 42.202 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.943 43.196 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.733 40.736 6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.360 42.708 9.996 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.147 40.251 8.678 1.00 0.00 H new ATOM 0 HH TYR A 44 4.606 40.578 10.830 1.00 0.00 H new ATOM 689 N ILE A 45 8.188 44.621 3.877 1.00 0.00 N ATOM 690 CA ILE A 45 8.934 45.054 2.677 1.00 0.00 C ATOM 691 C ILE A 45 9.393 43.848 1.867 1.00 0.00 C ATOM 692 O ILE A 45 9.804 42.847 2.420 1.00 0.00 O ATOM 693 CB ILE A 45 10.160 45.840 3.135 1.00 0.00 C ATOM 694 CG1 ILE A 45 9.723 47.108 3.866 1.00 0.00 C ATOM 695 CG2 ILE A 45 10.984 46.234 1.895 1.00 0.00 C ATOM 696 CD1 ILE A 45 9.385 48.202 2.846 1.00 0.00 C ATOM 0 H ILE A 45 8.683 44.729 4.763 1.00 0.00 H new ATOM 0 HA ILE A 45 8.287 45.669 2.051 1.00 0.00 H new ATOM 0 HB ILE A 45 10.756 45.225 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.854 46.898 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.518 47.449 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.864 46.797 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.297 45.334 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.375 46.850 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.074 49.105 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.265 48.419 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.576 47.860 2.201 1.00 0.00 H new ATOM 708 N ARG A 46 9.318 43.963 0.568 1.00 0.00 N ATOM 709 CA ARG A 46 9.746 42.829 -0.287 1.00 0.00 C ATOM 710 C ARG A 46 11.268 42.744 -0.366 1.00 0.00 C ATOM 711 O ARG A 46 11.919 43.642 -0.859 1.00 0.00 O ATOM 712 CB ARG A 46 9.187 43.046 -1.704 1.00 0.00 C ATOM 713 CG ARG A 46 8.975 44.543 -1.943 1.00 0.00 C ATOM 714 CD ARG A 46 8.694 44.772 -3.429 1.00 0.00 C ATOM 715 NE ARG A 46 8.174 46.153 -3.620 1.00 0.00 N ATOM 716 CZ ARG A 46 7.754 46.520 -4.799 1.00 0.00 C ATOM 717 NH1 ARG A 46 8.237 45.923 -5.854 1.00 0.00 N ATOM 718 NH2 ARG A 46 6.863 47.469 -4.882 1.00 0.00 N ATOM 0 H ARG A 46 8.982 44.787 0.070 1.00 0.00 H new ATOM 0 HA ARG A 46 9.369 41.902 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.877 42.642 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.245 42.511 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.142 44.907 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.858 45.103 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.605 44.630 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.968 44.044 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 46 8.146 46.806 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.931 45.183 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.921 46.196 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.507 47.910 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.522 47.770 -5.795 1.00 0.00 H new ATOM 732 N ILE A 47 11.805 41.658 0.122 1.00 0.00 N ATOM 733 CA ILE A 47 13.279 41.489 0.087 1.00 0.00 C ATOM 734 C ILE A 47 13.780 41.417 -1.347 1.00 0.00 C ATOM 735 O ILE A 47 13.086 40.947 -2.228 1.00 0.00 O ATOM 736 CB ILE A 47 13.639 40.190 0.794 1.00 0.00 C ATOM 737 CG1 ILE A 47 13.006 40.162 2.180 1.00 0.00 C ATOM 738 CG2 ILE A 47 15.171 40.121 0.943 1.00 0.00 C ATOM 739 CD1 ILE A 47 13.857 40.993 3.145 1.00 0.00 C ATOM 0 H ILE A 47 11.286 40.886 0.541 1.00 0.00 H new ATOM 0 HA ILE A 47 13.743 42.343 0.581 1.00 0.00 H new ATOM 0 HB ILE A 47 13.272 39.343 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.992 40.560 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.930 39.135 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.446 39.195 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.634 40.147 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.518 40.971 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.406 40.974 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.862 40.575 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.910 42.022 2.790 1.00 0.00 H new ATOM 751 N LEU A 48 14.981 41.883 -1.559 1.00 0.00 N ATOM 752 CA LEU A 48 15.537 41.848 -2.930 1.00 0.00 C ATOM 753 C LEU A 48 15.532 40.426 -3.493 1.00 0.00 C ATOM 754 O LEU A 48 15.208 39.478 -2.806 1.00 0.00 O ATOM 755 CB LEU A 48 16.990 42.353 -2.884 1.00 0.00 C ATOM 756 CG LEU A 48 17.008 43.796 -2.373 1.00 0.00 C ATOM 757 CD1 LEU A 48 18.107 43.939 -1.318 1.00 0.00 C ATOM 758 CD2 LEU A 48 17.306 44.742 -3.540 1.00 0.00 C ATOM 0 H LEU A 48 15.592 42.282 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 48 14.921 42.478 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.588 41.717 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.437 42.301 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 48 16.041 44.045 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.126 44.965 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.907 43.259 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.072 43.695 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.320 45.771 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.277 44.495 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.534 44.634 -4.302 1.00 0.00 H new ATOM 770 N THR A 49 15.898 40.321 -4.735 1.00 0.00 N ATOM 771 CA THR A 49 15.934 38.991 -5.403 1.00 0.00 C ATOM 772 C THR A 49 16.871 38.017 -4.722 1.00 0.00 C ATOM 773 O THR A 49 17.854 38.375 -4.106 1.00 0.00 O ATOM 774 CB THR A 49 16.409 39.203 -6.839 1.00 0.00 C ATOM 775 OG1 THR A 49 16.449 37.919 -7.417 1.00 0.00 O ATOM 776 CG2 THR A 49 17.866 39.685 -6.863 1.00 0.00 C ATOM 0 H THR A 49 16.177 41.106 -5.324 1.00 0.00 H new ATOM 0 HA THR A 49 14.933 38.562 -5.357 1.00 0.00 H new ATOM 0 HB THR A 49 15.759 39.921 -7.340 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.591 38.000 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.184 39.830 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.946 40.628 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.504 38.940 -6.388 1.00 0.00 H new ATOM 784 N GLY A 50 16.505 36.806 -4.872 1.00 0.00 N ATOM 785 CA GLY A 50 17.242 35.667 -4.308 1.00 0.00 C ATOM 786 C GLY A 50 16.922 35.536 -2.853 1.00 0.00 C ATOM 787 O GLY A 50 17.680 35.942 -1.993 1.00 0.00 O ATOM 0 H GLY A 50 15.672 36.536 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.974 34.751 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.314 35.811 -4.444 1.00 0.00 H new ATOM 791 N ASP A 51 15.788 34.959 -2.620 1.00 0.00 N ATOM 792 CA ASP A 51 15.330 34.742 -1.254 1.00 0.00 C ATOM 793 C ASP A 51 15.422 33.278 -0.976 1.00 0.00 C ATOM 794 O ASP A 51 14.746 32.513 -1.641 1.00 0.00 O ATOM 795 CB ASP A 51 13.864 35.190 -1.140 1.00 0.00 C ATOM 796 CG ASP A 51 13.811 36.706 -0.953 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.289 37.380 -1.850 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.295 37.103 0.078 1.00 0.00 O ATOM 0 H ASP A 51 15.152 34.624 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 51 15.935 35.307 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.314 34.903 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.384 34.691 -0.298 1.00 0.00 H new ATOM 803 N LYS A 52 16.199 32.857 -0.042 1.00 0.00 N ATOM 804 CA LYS A 52 16.220 31.409 0.163 1.00 0.00 C ATOM 805 C LYS A 52 14.941 31.081 0.894 1.00 0.00 C ATOM 806 O LYS A 52 14.779 31.481 2.033 1.00 0.00 O ATOM 807 CB LYS A 52 17.436 31.026 1.021 1.00 0.00 C ATOM 808 CG LYS A 52 18.641 30.798 0.108 1.00 0.00 C ATOM 809 CD LYS A 52 19.805 30.252 0.939 1.00 0.00 C ATOM 810 CE LYS A 52 20.411 29.045 0.227 1.00 0.00 C ATOM 811 NZ LYS A 52 21.671 28.624 0.901 1.00 0.00 N ATOM 0 H LYS A 52 16.795 33.423 0.563 1.00 0.00 H new ATOM 0 HA LYS A 52 16.293 30.863 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.653 31.816 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.223 30.124 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.384 30.096 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.929 31.732 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.561 31.024 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.456 29.966 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.699 28.220 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.614 29.293 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.072 27.802 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.354 29.408 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.468 28.368 1.888 1.00 0.00 H new ATOM 825 N VAL A 53 14.049 30.348 0.253 1.00 0.00 N ATOM 826 CA VAL A 53 12.764 30.021 0.951 1.00 0.00 C ATOM 827 C VAL A 53 12.332 28.589 0.813 1.00 0.00 C ATOM 828 O VAL A 53 13.022 27.772 0.233 1.00 0.00 O ATOM 829 CB VAL A 53 11.672 30.877 0.294 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.051 32.358 0.387 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.565 30.468 -1.183 1.00 0.00 C ATOM 0 H VAL A 53 14.153 29.975 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 53 12.916 30.212 2.013 1.00 0.00 H new ATOM 0 HB VAL A 53 10.719 30.724 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.274 32.963 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.152 32.643 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.998 32.524 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.794 31.064 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.521 30.637 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.304 29.412 -1.250 1.00 0.00 H new ATOM 841 N ARG A 54 11.157 28.310 1.369 1.00 0.00 N ATOM 842 CA ARG A 54 10.628 26.932 1.291 1.00 0.00 C ATOM 843 C ARG A 54 9.590 26.876 0.196 1.00 0.00 C ATOM 844 O ARG A 54 8.599 27.579 0.244 1.00 0.00 O ATOM 845 CB ARG A 54 9.978 26.570 2.637 1.00 0.00 C ATOM 846 CG ARG A 54 10.098 25.051 2.886 1.00 0.00 C ATOM 847 CD ARG A 54 10.235 24.787 4.393 1.00 0.00 C ATOM 848 NE ARG A 54 10.871 23.453 4.593 1.00 0.00 N ATOM 849 CZ ARG A 54 10.129 22.380 4.640 1.00 0.00 C ATOM 850 NH1 ARG A 54 8.831 22.503 4.575 1.00 0.00 N ATOM 851 NH2 ARG A 54 10.712 21.218 4.747 1.00 0.00 N ATOM 0 H ARG A 54 10.566 28.980 1.861 1.00 0.00 H new ATOM 0 HA ARG A 54 11.431 26.228 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.463 27.119 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.929 26.865 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.220 24.537 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.963 24.652 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.838 25.566 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.256 24.813 4.871 1.00 0.00 H new ATOM 0 HE ARG A 54 11.883 23.379 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.410 23.428 4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.238 21.674 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.729 21.160 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.151 20.367 4.785 1.00 0.00 H new ATOM 865 N VAL A 55 9.829 26.041 -0.767 1.00 0.00 N ATOM 866 CA VAL A 55 8.879 25.919 -1.881 1.00 0.00 C ATOM 867 C VAL A 55 8.001 24.690 -1.744 1.00 0.00 C ATOM 868 O VAL A 55 8.451 23.643 -1.320 1.00 0.00 O ATOM 869 CB VAL A 55 9.686 25.784 -3.188 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.845 26.310 -4.354 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.984 26.601 -3.092 1.00 0.00 C ATOM 0 H VAL A 55 10.649 25.437 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 55 8.239 26.801 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 55 9.934 24.735 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.410 26.217 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.925 25.730 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.600 27.358 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.547 26.499 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.742 27.651 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.585 26.233 -2.261 1.00 0.00 H new ATOM 881 N GLU A 56 6.757 24.853 -2.111 1.00 0.00 N ATOM 882 CA GLU A 56 5.802 23.737 -2.031 1.00 0.00 C ATOM 883 C GLU A 56 5.310 23.431 -3.423 1.00 0.00 C ATOM 884 O GLU A 56 4.644 24.244 -4.034 1.00 0.00 O ATOM 885 CB GLU A 56 4.611 24.166 -1.160 1.00 0.00 C ATOM 886 CG GLU A 56 4.070 22.945 -0.417 1.00 0.00 C ATOM 887 CD GLU A 56 2.840 23.351 0.394 1.00 0.00 C ATOM 888 OE1 GLU A 56 2.992 24.269 1.183 1.00 0.00 O ATOM 889 OE2 GLU A 56 1.819 22.720 0.182 1.00 0.00 O ATOM 0 H GLU A 56 6.369 25.727 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 56 6.278 22.857 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.921 24.932 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.830 24.605 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.809 22.160 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.836 22.537 0.242 1.00 0.00 H new ATOM 896 N LEU A 57 5.635 22.268 -3.904 1.00 0.00 N ATOM 897 CA LEU A 57 5.189 21.909 -5.263 1.00 0.00 C ATOM 898 C LEU A 57 3.897 21.130 -5.187 1.00 0.00 C ATOM 899 O LEU A 57 3.646 20.445 -4.204 1.00 0.00 O ATOM 900 CB LEU A 57 6.263 21.023 -5.929 1.00 0.00 C ATOM 901 CG LEU A 57 7.661 21.601 -5.667 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.642 20.452 -5.421 1.00 0.00 C ATOM 903 CD2 LEU A 57 8.113 22.393 -6.896 1.00 0.00 C ATOM 0 H LEU A 57 6.185 21.560 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 57 5.035 22.819 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.202 20.008 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.081 20.962 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 57 7.633 22.255 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.637 20.857 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.317 19.875 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.672 19.805 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.105 22.807 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.146 21.733 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.410 23.205 -7.085 1.00 0.00 H new ATOM 915 N THR A 58 3.100 21.235 -6.232 1.00 0.00 N ATOM 916 CA THR A 58 1.799 20.503 -6.237 1.00 0.00 C ATOM 917 C THR A 58 1.719 19.470 -7.379 1.00 0.00 C ATOM 918 O THR A 58 2.340 19.629 -8.410 1.00 0.00 O ATOM 919 CB THR A 58 0.702 21.543 -6.435 1.00 0.00 C ATOM 920 OG1 THR A 58 0.818 21.955 -7.783 1.00 0.00 O ATOM 921 CG2 THR A 58 1.008 22.811 -5.609 1.00 0.00 C ATOM 0 H THR A 58 3.296 21.789 -7.066 1.00 0.00 H new ATOM 0 HA THR A 58 1.691 19.959 -5.299 1.00 0.00 H new ATOM 0 HB THR A 58 -0.266 21.126 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.040 21.826 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.216 23.544 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.065 22.552 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.960 23.234 -5.930 1.00 0.00 H new ATOM 929 N PRO A 59 0.937 18.410 -7.155 1.00 0.00 N ATOM 930 CA PRO A 59 0.766 17.351 -8.151 1.00 0.00 C ATOM 931 C PRO A 59 0.034 17.844 -9.400 1.00 0.00 C ATOM 932 O PRO A 59 0.253 17.340 -10.482 1.00 0.00 O ATOM 933 CB PRO A 59 -0.113 16.289 -7.452 1.00 0.00 C ATOM 934 CG PRO A 59 -0.583 16.898 -6.100 1.00 0.00 C ATOM 935 CD PRO A 59 0.206 18.198 -5.890 1.00 0.00 C ATOM 0 HA PRO A 59 1.736 16.977 -8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.969 16.028 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.452 15.372 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.655 17.097 -6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.403 16.202 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.460 19.033 -5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.892 18.112 -5.047 1.00 0.00 H new ATOM 943 N TYR A 60 -0.824 18.820 -9.233 1.00 0.00 N ATOM 944 CA TYR A 60 -1.561 19.331 -10.417 1.00 0.00 C ATOM 945 C TYR A 60 -0.638 20.144 -11.310 1.00 0.00 C ATOM 946 O TYR A 60 -1.022 20.577 -12.376 1.00 0.00 O ATOM 947 CB TYR A 60 -2.735 20.207 -9.935 1.00 0.00 C ATOM 948 CG TYR A 60 -2.285 21.663 -9.808 1.00 0.00 C ATOM 949 CD1 TYR A 60 -2.337 22.511 -10.893 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.829 22.148 -8.603 1.00 0.00 C ATOM 951 CE1 TYR A 60 -1.937 23.826 -10.774 1.00 0.00 C ATOM 952 CE2 TYR A 60 -1.427 23.462 -8.481 1.00 0.00 C ATOM 953 CZ TYR A 60 -1.478 24.312 -9.567 1.00 0.00 C ATOM 954 OH TYR A 60 -1.069 25.625 -9.448 1.00 0.00 O ATOM 0 H TYR A 60 -1.040 19.274 -8.345 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.940 18.489 -10.996 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.565 20.135 -10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.098 19.845 -8.973 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.694 22.143 -11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.786 21.494 -7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.984 24.480 -11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.070 23.828 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.778 25.795 -8.528 1.00 0.00 H new ATOM 964 N ASP A 61 0.573 20.321 -10.858 1.00 0.00 N ATOM 965 CA ASP A 61 1.555 21.100 -11.653 1.00 0.00 C ATOM 966 C ASP A 61 2.748 21.475 -10.793 1.00 0.00 C ATOM 967 O ASP A 61 2.780 22.532 -10.192 1.00 0.00 O ATOM 968 CB ASP A 61 0.880 22.385 -12.163 1.00 0.00 C ATOM 969 CG ASP A 61 0.534 22.223 -13.645 1.00 0.00 C ATOM 970 OD1 ASP A 61 1.458 21.942 -14.389 1.00 0.00 O ATOM 971 OD2 ASP A 61 -0.636 22.391 -13.948 1.00 0.00 O ATOM 0 H ASP A 61 0.922 19.958 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 61 1.897 20.493 -12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.023 22.588 -11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.545 23.238 -12.024 1.00 0.00 H new ATOM 976 N LEU A 62 3.710 20.601 -10.734 1.00 0.00 N ATOM 977 CA LEU A 62 4.898 20.903 -9.916 1.00 0.00 C ATOM 978 C LEU A 62 5.619 22.120 -10.468 1.00 0.00 C ATOM 979 O LEU A 62 6.268 22.842 -9.738 1.00 0.00 O ATOM 980 CB LEU A 62 5.825 19.687 -9.936 1.00 0.00 C ATOM 981 CG LEU A 62 5.105 18.513 -9.258 1.00 0.00 C ATOM 982 CD1 LEU A 62 5.795 17.216 -9.639 1.00 0.00 C ATOM 983 CD2 LEU A 62 5.166 18.676 -7.740 1.00 0.00 C ATOM 0 H LEU A 62 3.720 19.701 -11.214 1.00 0.00 H new ATOM 0 HA LEU A 62 4.596 21.121 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.088 19.428 -10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.756 19.912 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 62 4.065 18.495 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.287 16.379 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.761 17.090 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.834 17.246 -9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.654 17.840 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.207 18.695 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.681 19.609 -7.455 1.00 0.00 H new ATOM 995 N SER A 63 5.497 22.331 -11.756 1.00 0.00 N ATOM 996 CA SER A 63 6.171 23.505 -12.357 1.00 0.00 C ATOM 997 C SER A 63 5.683 24.750 -11.649 1.00 0.00 C ATOM 998 O SER A 63 6.107 25.853 -11.938 1.00 0.00 O ATOM 999 CB SER A 63 5.791 23.581 -13.842 1.00 0.00 C ATOM 1000 OG SER A 63 6.572 24.653 -14.348 1.00 0.00 O ATOM 0 H SER A 63 4.967 21.747 -12.402 1.00 0.00 H new ATOM 0 HA SER A 63 7.253 23.421 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.014 22.647 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.725 23.769 -13.971 1.00 0.00 H new ATOM 0 HG SER A 63 6.579 25.387 -13.699 1.00 0.00 H new ATOM 1006 N LYS A 64 4.772 24.533 -10.735 1.00 0.00 N ATOM 1007 CA LYS A 64 4.206 25.651 -9.963 1.00 0.00 C ATOM 1008 C LYS A 64 4.167 25.280 -8.485 1.00 0.00 C ATOM 1009 O LYS A 64 3.918 24.127 -8.117 1.00 0.00 O ATOM 1010 CB LYS A 64 2.777 25.916 -10.457 1.00 0.00 C ATOM 1011 CG LYS A 64 2.817 26.229 -11.954 1.00 0.00 C ATOM 1012 CD LYS A 64 1.392 26.209 -12.509 1.00 0.00 C ATOM 1013 CE LYS A 64 1.293 27.199 -13.669 1.00 0.00 C ATOM 1014 NZ LYS A 64 2.544 27.177 -14.478 1.00 0.00 N ATOM 0 H LYS A 64 4.400 23.614 -10.497 1.00 0.00 H new ATOM 0 HA LYS A 64 4.820 26.542 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.147 25.046 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.338 26.750 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.272 27.205 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.433 25.496 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.135 25.206 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.680 26.474 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.440 26.947 -14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.119 28.204 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.333 27.477 -15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.240 27.826 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.933 26.212 -14.490 1.00 0.00 H new ATOM 1028 N GLY A 65 4.406 26.252 -7.670 1.00 0.00 N ATOM 1029 CA GLY A 65 4.399 26.017 -6.214 1.00 0.00 C ATOM 1030 C GLY A 65 4.284 27.347 -5.520 1.00 0.00 C ATOM 1031 O GLY A 65 4.011 28.337 -6.152 1.00 0.00 O ATOM 0 H GLY A 65 4.608 27.211 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.565 25.372 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.312 25.507 -5.908 1.00 0.00 H new ATOM 1035 N ARG A 66 4.427 27.345 -4.235 1.00 0.00 N ATOM 1036 CA ARG A 66 4.329 28.631 -3.492 1.00 0.00 C ATOM 1037 C ARG A 66 5.464 28.753 -2.484 1.00 0.00 C ATOM 1038 O ARG A 66 6.135 27.788 -2.190 1.00 0.00 O ATOM 1039 CB ARG A 66 2.988 28.667 -2.747 1.00 0.00 C ATOM 1040 CG ARG A 66 2.852 27.403 -1.904 1.00 0.00 C ATOM 1041 CD ARG A 66 1.560 27.480 -1.092 1.00 0.00 C ATOM 1042 NE ARG A 66 1.386 26.205 -0.344 1.00 0.00 N ATOM 1043 CZ ARG A 66 0.419 26.096 0.522 1.00 0.00 C ATOM 1044 NH1 ARG A 66 0.019 27.163 1.159 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -0.117 24.925 0.724 1.00 0.00 N ATOM 0 H ARG A 66 4.606 26.519 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 66 4.397 29.459 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.935 29.551 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.165 28.735 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.841 26.522 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.709 27.301 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.599 28.321 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.709 27.649 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 66 2.019 25.422 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.462 28.063 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.737 27.097 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.222 24.113 0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.875 24.821 1.398 1.00 0.00 H new ATOM 1059 N ILE A 67 5.650 29.943 -1.971 1.00 0.00 N ATOM 1060 CA ILE A 67 6.744 30.157 -0.975 1.00 0.00 C ATOM 1061 C ILE A 67 6.190 30.272 0.439 1.00 0.00 C ATOM 1062 O ILE A 67 5.145 30.852 0.648 1.00 0.00 O ATOM 1063 CB ILE A 67 7.444 31.460 -1.331 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.333 31.245 -2.546 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.321 31.888 -0.142 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.823 32.601 -3.064 1.00 0.00 C ATOM 0 H ILE A 67 5.097 30.770 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 67 7.428 29.309 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 67 6.703 32.228 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.183 30.616 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.780 30.723 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.830 32.822 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.695 32.032 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.061 31.114 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.460 32.449 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.967 33.215 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.391 33.105 -2.282 1.00 0.00 H new ATOM 1078 N THR A 68 6.902 29.714 1.399 1.00 0.00 N ATOM 1079 CA THR A 68 6.423 29.792 2.761 1.00 0.00 C ATOM 1080 C THR A 68 7.564 29.544 3.719 1.00 0.00 C ATOM 1081 O THR A 68 7.802 28.441 4.158 1.00 0.00 O ATOM 1082 CB THR A 68 5.350 28.715 2.970 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.344 28.460 4.361 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.776 27.377 2.337 1.00 0.00 C ATOM 0 H THR A 68 7.784 29.218 1.268 1.00 0.00 H new ATOM 0 HA THR A 68 6.006 30.782 2.946 1.00 0.00 H new ATOM 0 HB THR A 68 4.405 29.053 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.132 27.928 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.997 26.633 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.929 27.513 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.705 27.037 2.795 1.00 0.00 H new ATOM 1092 N TYR A 69 8.214 30.623 3.976 1.00 0.00 N ATOM 1093 CA TYR A 69 9.405 30.707 4.907 1.00 0.00 C ATOM 1094 C TYR A 69 10.592 31.182 4.117 1.00 0.00 C ATOM 1095 O TYR A 69 10.927 30.594 3.124 1.00 0.00 O ATOM 1096 CB TYR A 69 9.739 29.347 5.552 1.00 0.00 C ATOM 1097 CG TYR A 69 10.907 29.532 6.525 1.00 0.00 C ATOM 1098 CD1 TYR A 69 12.211 29.432 6.086 1.00 0.00 C ATOM 1099 CD2 TYR A 69 10.670 29.806 7.858 1.00 0.00 C ATOM 1100 CE1 TYR A 69 13.263 29.606 6.964 1.00 0.00 C ATOM 1101 CE2 TYR A 69 11.722 29.978 8.736 1.00 0.00 C ATOM 1102 CZ TYR A 69 13.025 29.881 8.296 1.00 0.00 C ATOM 1103 OH TYR A 69 14.076 30.058 9.172 1.00 0.00 O ATOM 0 H TYR A 69 7.968 31.522 3.561 1.00 0.00 H new ATOM 0 HA TYR A 69 9.160 31.400 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.868 28.956 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.000 28.620 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 69 12.411 29.216 5.047 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.654 29.886 8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 69 14.279 29.526 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.522 30.190 9.776 1.00 0.00 H new ATOM 0 HH TYR A 69 13.727 30.245 10.068 1.00 0.00 H new ATOM 1113 N ARG A 70 11.200 32.263 4.563 1.00 0.00 N ATOM 1114 CA ARG A 70 12.379 32.798 3.836 1.00 0.00 C ATOM 1115 C ARG A 70 13.585 32.960 4.743 1.00 0.00 C ATOM 1116 O ARG A 70 13.455 33.139 5.938 1.00 0.00 O ATOM 1117 CB ARG A 70 12.006 34.172 3.267 1.00 0.00 C ATOM 1118 CG ARG A 70 11.954 35.181 4.408 1.00 0.00 C ATOM 1119 CD ARG A 70 11.146 36.401 3.965 1.00 0.00 C ATOM 1120 NE ARG A 70 11.974 37.623 4.159 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.691 38.437 5.139 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.764 39.338 4.964 1.00 0.00 N ATOM 1123 NH2 ARG A 70 12.345 38.320 6.263 1.00 0.00 N ATOM 0 H ARG A 70 10.925 32.787 5.394 1.00 0.00 H new ATOM 0 HA ARG A 70 12.646 32.092 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.738 34.483 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.041 34.122 2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.498 34.729 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.963 35.481 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.858 36.303 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.225 36.474 4.543 1.00 0.00 H new ATOM 0 HE ARG A 70 12.754 37.822 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.273 39.398 4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.530 39.982 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.062 37.602 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.138 38.947 7.041 1.00 0.00 H new ATOM 1137 N ALA A 71 14.748 32.891 4.145 1.00 0.00 N ATOM 1138 CA ALA A 71 15.989 33.035 4.923 1.00 0.00 C ATOM 1139 C ALA A 71 17.019 33.832 4.136 1.00 0.00 C ATOM 1140 O ALA A 71 17.031 33.810 2.913 1.00 0.00 O ATOM 1141 CB ALA A 71 16.553 31.634 5.205 1.00 0.00 C ATOM 0 H ALA A 71 14.879 32.740 3.145 1.00 0.00 H new ATOM 0 HA ALA A 71 15.772 33.559 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.474 31.722 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.824 31.056 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.762 31.129 4.262 1.00 0.00 H new ATOM 1147 N ARG A 72 17.868 34.522 4.846 1.00 0.00 N ATOM 1148 CA ARG A 72 18.904 35.327 4.162 1.00 0.00 C ATOM 1149 C ARG A 72 20.089 34.456 3.760 1.00 0.00 C ATOM 1150 O ARG A 72 20.078 34.022 2.619 1.00 0.00 O ATOM 1151 CB ARG A 72 19.389 36.409 5.138 1.00 0.00 C ATOM 1152 CG ARG A 72 18.191 37.248 5.594 1.00 0.00 C ATOM 1153 CD ARG A 72 18.635 38.184 6.723 1.00 0.00 C ATOM 1154 NE ARG A 72 17.459 38.970 7.194 1.00 0.00 N ATOM 1155 CZ ARG A 72 17.165 38.986 8.467 1.00 0.00 C ATOM 1156 NH1 ARG A 72 17.983 39.576 9.296 1.00 0.00 N ATOM 1157 NH2 ARG A 72 16.063 38.413 8.867 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.940 34.270 4.614 1.00 0.00 O ATOM 0 H ARG A 72 17.885 34.560 5.865 1.00 0.00 H new ATOM 0 HA ARG A 72 18.480 35.771 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.875 35.949 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.131 37.045 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.798 37.827 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.386 36.598 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.056 37.607 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.419 38.854 6.370 1.00 0.00 H new ATOM 0 HE ARG A 72 16.889 39.491 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.835 40.014 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.770 39.599 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.448 37.963 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.817 38.416 9.857 1.00 0.00 H new TER 1172 ARG A 72