USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 715 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.6!) USER MOD Single : A 1 VAL N :NH3+ -113:sc= -0.529 (180deg=-0.7) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 17:sc= 0.558! USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.211) USER MOD Single : A 12 SER OG : rot -64:sc= 0.411 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.761 F(o=-1.7!,f=-0.76) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.486 F(o=-1.3,f=-0.49) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 162:sc= 1.04 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 28 MET CE :methyl 177:sc= -0.173 (180deg=-0.194) USER MOD Single : A 36 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.15) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -126:sc= -3.82 (180deg=-12!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -107:sc= 0.274 USER MOD Single : A 56 SER OG : rot 76:sc= 1.21 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.582 K(o=-0.58,f=-2.6) USER MOD Single : A 70 THR OG1 : rot -83:sc= 0.694 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.0542 (180deg=-0.348) USER MOD Single : A 86 TYR OH : rot -99:sc= 0.113 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 92 TYR OH : rot -174:sc= -0.71 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.804 17.723 24.652 1.00 0.00 N ATOM 2 CA VAL A 1 3.452 16.434 25.027 1.00 0.00 C ATOM 3 C VAL A 1 2.756 15.827 26.240 1.00 0.00 C ATOM 4 O VAL A 1 2.114 16.535 27.016 1.00 0.00 O ATOM 5 CB VAL A 1 4.932 16.640 25.338 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.682 17.107 24.094 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.105 17.643 26.476 1.00 0.00 C ATOM 0 H1 VAL A 1 2.335 17.620 23.729 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.099 17.979 25.372 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.525 18.470 24.593 1.00 0.00 H new ATOM 0 HA VAL A 1 3.363 15.753 24.180 1.00 0.00 H new ATOM 0 HB VAL A 1 5.353 15.685 25.654 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.735 17.248 24.336 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.587 16.357 23.309 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.260 18.050 23.747 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.166 17.778 26.684 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.668 18.599 26.188 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.605 17.270 27.369 1.00 0.00 H new ATOM 19 N PRO A 2 2.875 14.499 26.418 1.00 0.00 N ATOM 20 CA PRO A 2 2.253 13.791 27.546 1.00 0.00 C ATOM 21 C PRO A 2 3.016 14.003 28.847 1.00 0.00 C ATOM 22 O PRO A 2 4.208 13.705 28.937 1.00 0.00 O ATOM 23 CB PRO A 2 2.297 12.327 27.130 1.00 0.00 C ATOM 24 CG PRO A 2 3.431 12.219 26.162 1.00 0.00 C ATOM 25 CD PRO A 2 3.622 13.582 25.539 1.00 0.00 C ATOM 0 HA PRO A 2 1.244 14.152 27.743 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.454 11.679 27.992 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.358 12.022 26.669 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.340 11.898 26.670 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.213 11.474 25.397 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.677 13.851 25.490 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.238 13.609 24.519 1.00 0.00 H new ATOM 33 N LYS A 3 2.318 14.512 29.858 1.00 0.00 N ATOM 34 CA LYS A 3 2.915 14.759 31.164 1.00 0.00 C ATOM 35 C LYS A 3 4.259 15.466 31.025 1.00 0.00 C ATOM 36 O LYS A 3 5.295 14.823 30.860 1.00 0.00 O ATOM 37 CB LYS A 3 3.092 13.433 31.887 1.00 0.00 C ATOM 38 CG LYS A 3 1.752 12.730 32.077 1.00 0.00 C ATOM 39 CD LYS A 3 1.162 13.028 33.453 1.00 0.00 C ATOM 40 CE LYS A 3 -0.095 13.887 33.344 1.00 0.00 C ATOM 41 NZ LYS A 3 -1.308 13.047 33.137 1.00 0.00 N ATOM 0 H LYS A 3 1.331 14.763 29.795 1.00 0.00 H new ATOM 0 HA LYS A 3 2.255 15.408 31.739 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.765 12.792 31.318 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.558 13.603 32.858 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.056 13.053 31.303 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.883 11.654 31.960 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.923 12.092 33.959 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.903 13.541 34.066 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.212 14.481 34.250 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.011 14.587 32.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.146 13.659 33.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.205 12.499 32.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.421 12.396 33.940 1.00 0.00 H new ATOM 55 N VAL A 4 4.235 16.793 31.093 1.00 0.00 N ATOM 56 CA VAL A 4 5.454 17.585 30.975 1.00 0.00 C ATOM 57 C VAL A 4 6.493 17.103 31.977 1.00 0.00 C ATOM 58 O VAL A 4 6.199 16.277 32.842 1.00 0.00 O ATOM 59 CB VAL A 4 5.147 19.060 31.216 1.00 0.00 C ATOM 60 CG1 VAL A 4 4.246 19.609 30.113 1.00 0.00 C ATOM 61 CG2 VAL A 4 4.497 19.255 32.583 1.00 0.00 C ATOM 0 H VAL A 4 3.386 17.342 31.229 1.00 0.00 H new ATOM 0 HA VAL A 4 5.852 17.465 29.967 1.00 0.00 H new ATOM 0 HB VAL A 4 6.086 19.612 31.199 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.039 20.662 30.303 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.746 19.506 29.150 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.309 19.052 30.097 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.285 20.313 32.738 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.567 18.688 32.628 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.174 18.903 33.361 1.00 0.00 H new ATOM 71 N THR A 5 7.708 17.625 31.859 1.00 0.00 N ATOM 72 CA THR A 5 8.791 17.250 32.759 1.00 0.00 C ATOM 73 C THR A 5 9.804 18.380 32.869 1.00 0.00 C ATOM 74 O THR A 5 10.303 18.881 31.862 1.00 0.00 O ATOM 75 CB THR A 5 9.478 15.983 32.258 1.00 0.00 C ATOM 76 OG1 THR A 5 10.313 16.287 31.152 1.00 0.00 O ATOM 77 CG2 THR A 5 8.449 14.928 31.864 1.00 0.00 C ATOM 0 H THR A 5 7.968 18.309 31.149 1.00 0.00 H new ATOM 0 HA THR A 5 8.370 17.058 33.746 1.00 0.00 H new ATOM 0 HB THR A 5 10.089 15.581 33.066 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.475 17.253 31.121 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.962 14.034 31.510 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.836 14.676 32.730 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.812 15.319 31.070 1.00 0.00 H new ATOM 85 N PHE A 6 10.104 18.773 34.100 1.00 0.00 N ATOM 86 CA PHE A 6 11.061 19.842 34.353 1.00 0.00 C ATOM 87 C PHE A 6 12.475 19.281 34.362 1.00 0.00 C ATOM 88 O PHE A 6 12.685 18.111 34.048 1.00 0.00 O ATOM 89 CB PHE A 6 10.751 20.509 35.688 1.00 0.00 C ATOM 90 CG PHE A 6 9.333 21.014 35.774 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.299 20.135 36.053 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.062 22.358 35.574 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.997 20.599 36.132 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.759 22.822 35.653 1.00 0.00 C ATOM 95 CZ PHE A 6 6.727 21.942 35.932 1.00 0.00 C ATOM 0 H PHE A 6 9.697 18.366 34.942 1.00 0.00 H new ATOM 0 HA PHE A 6 10.983 20.586 33.560 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.928 19.797 36.494 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.438 21.341 35.841 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.509 19.087 36.209 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.867 23.044 35.356 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.192 19.913 36.350 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.548 23.870 35.497 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.711 22.303 35.994 1.00 0.00 H new ATOM 105 N THR A 7 13.447 20.113 34.721 1.00 0.00 N ATOM 106 CA THR A 7 14.838 19.673 34.762 1.00 0.00 C ATOM 107 C THR A 7 15.700 20.659 35.537 1.00 0.00 C ATOM 108 O THR A 7 15.850 21.815 35.143 1.00 0.00 O ATOM 109 CB THR A 7 15.380 19.519 33.344 1.00 0.00 C ATOM 110 OG1 THR A 7 14.307 19.414 32.421 1.00 0.00 O ATOM 111 CG2 THR A 7 16.281 18.292 33.239 1.00 0.00 C ATOM 0 H THR A 7 13.300 21.087 34.986 1.00 0.00 H new ATOM 0 HA THR A 7 14.874 18.710 35.271 1.00 0.00 H new ATOM 0 HB THR A 7 15.972 20.402 33.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.664 19.317 31.514 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.656 18.202 32.219 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.120 18.397 33.926 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.711 17.399 33.496 1.00 0.00 H new ATOM 119 N VAL A 8 16.274 20.185 36.638 1.00 0.00 N ATOM 120 CA VAL A 8 17.136 21.010 37.478 1.00 0.00 C ATOM 121 C VAL A 8 18.189 21.714 36.630 1.00 0.00 C ATOM 122 O VAL A 8 18.883 21.080 35.835 1.00 0.00 O ATOM 123 CB VAL A 8 17.823 20.132 38.519 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.730 19.116 37.833 1.00 0.00 C ATOM 125 CG2 VAL A 8 18.609 20.988 39.512 1.00 0.00 C ATOM 0 H VAL A 8 16.157 19.228 36.971 1.00 0.00 H new ATOM 0 HA VAL A 8 16.526 21.763 37.976 1.00 0.00 H new ATOM 0 HB VAL A 8 17.061 19.589 39.078 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.215 18.495 38.586 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.136 18.486 37.171 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.488 19.640 37.251 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.092 20.343 40.246 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.367 21.561 38.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.929 21.672 40.021 1.00 0.00 H new ATOM 135 N GLU A 9 18.309 23.025 36.804 1.00 0.00 N ATOM 136 CA GLU A 9 19.285 23.807 36.053 1.00 0.00 C ATOM 137 C GLU A 9 20.307 24.428 36.998 1.00 0.00 C ATOM 138 O GLU A 9 20.087 24.497 38.207 1.00 0.00 O ATOM 139 CB GLU A 9 18.577 24.894 35.249 1.00 0.00 C ATOM 140 CG GLU A 9 18.010 24.329 33.950 1.00 0.00 C ATOM 141 CD GLU A 9 19.035 24.450 32.830 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.500 25.578 32.567 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.371 23.414 32.217 1.00 0.00 O ATOM 0 H GLU A 9 17.744 23.568 37.457 1.00 0.00 H new ATOM 0 HA GLU A 9 19.809 23.145 35.364 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.772 25.326 35.844 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.276 25.700 35.025 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.735 23.283 34.089 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.100 24.864 33.679 1.00 0.00 H new ATOM 150 N LYS A 10 21.429 24.870 36.439 1.00 0.00 N ATOM 151 CA LYS A 10 22.497 25.478 37.228 1.00 0.00 C ATOM 152 C LYS A 10 21.947 26.570 38.137 1.00 0.00 C ATOM 153 O LYS A 10 22.543 26.890 39.165 1.00 0.00 O ATOM 154 CB LYS A 10 23.561 26.062 36.302 1.00 0.00 C ATOM 155 CG LYS A 10 24.537 24.986 35.834 1.00 0.00 C ATOM 156 CD LYS A 10 25.980 25.378 36.141 1.00 0.00 C ATOM 157 CE LYS A 10 26.684 25.912 34.896 1.00 0.00 C ATOM 158 NZ LYS A 10 25.905 27.015 34.265 1.00 0.00 N ATOM 0 H LYS A 10 21.623 24.819 35.439 1.00 0.00 H new ATOM 0 HA LYS A 10 22.945 24.704 37.851 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.082 26.522 35.438 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.106 26.850 36.822 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.302 24.041 36.323 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.421 24.827 34.762 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.995 26.136 36.924 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.521 24.513 36.525 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.677 26.272 35.164 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.821 25.103 34.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.514 27.534 33.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.093 26.617 33.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.564 27.665 35.002 1.00 0.00 H new ATOM 172 N GLY A 11 20.808 27.144 37.756 1.00 0.00 N ATOM 173 CA GLY A 11 20.179 28.205 38.541 1.00 0.00 C ATOM 174 C GLY A 11 20.146 27.846 40.024 1.00 0.00 C ATOM 175 O GLY A 11 20.149 28.726 40.883 1.00 0.00 O ATOM 0 H GLY A 11 20.301 26.892 36.908 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.726 29.138 38.402 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.164 28.374 38.182 1.00 0.00 H new ATOM 179 N SER A 12 20.121 26.549 40.318 1.00 0.00 N ATOM 180 CA SER A 12 20.095 26.077 41.700 1.00 0.00 C ATOM 181 C SER A 12 21.457 26.289 42.351 1.00 0.00 C ATOM 182 O SER A 12 22.452 25.693 41.937 1.00 0.00 O ATOM 183 CB SER A 12 19.725 24.597 41.738 1.00 0.00 C ATOM 184 OG SER A 12 18.316 24.434 41.718 1.00 0.00 O ATOM 0 H SER A 12 20.118 25.806 39.619 1.00 0.00 H new ATOM 0 HA SER A 12 19.347 26.645 42.253 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.168 24.084 40.884 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.137 24.136 42.636 1.00 0.00 H new ATOM 0 HG SER A 12 17.930 24.827 42.529 1.00 0.00 H new ATOM 190 N ASN A 13 21.499 27.144 43.368 1.00 0.00 N ATOM 191 CA ASN A 13 22.746 27.438 44.073 1.00 0.00 C ATOM 192 C ASN A 13 22.661 26.970 45.521 1.00 0.00 C ATOM 193 O ASN A 13 23.342 26.025 45.919 1.00 0.00 O ATOM 194 CB ASN A 13 23.039 28.938 44.029 1.00 0.00 C ATOM 195 CG ASN A 13 22.728 29.505 42.648 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.539 30.078 42.499 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 23.547 29.425 41.733 1.00 0.00 N flip ATOM 0 H ASN A 13 20.686 27.646 43.724 1.00 0.00 H new ATOM 0 HA ASN A 13 23.556 26.904 43.577 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.443 29.453 44.782 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.086 29.117 44.274 1.00 0.00 H new ATOM 0 HD21 ASN A 13 24.449 28.976 41.893 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.324 29.808 40.814 1.00 0.00 H new ATOM 204 N GLU A 14 21.819 27.636 46.305 1.00 0.00 N ATOM 205 CA GLU A 14 21.642 27.288 47.712 1.00 0.00 C ATOM 206 C GLU A 14 20.170 27.045 48.010 1.00 0.00 C ATOM 207 O GLU A 14 19.761 25.923 48.307 1.00 0.00 O ATOM 208 CB GLU A 14 22.169 28.412 48.598 1.00 0.00 C ATOM 209 CG GLU A 14 23.640 28.702 48.313 1.00 0.00 C ATOM 210 CD GLU A 14 24.280 29.398 49.506 1.00 0.00 C ATOM 211 OE1 GLU A 14 24.103 28.913 50.644 1.00 0.00 O ATOM 212 OE2 GLU A 14 24.956 30.428 49.302 1.00 0.00 O ATOM 0 H GLU A 14 21.248 28.420 45.990 1.00 0.00 H new ATOM 0 HA GLU A 14 22.202 26.376 47.921 1.00 0.00 H new ATOM 0 HB2 GLU A 14 21.580 29.314 48.433 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.047 28.139 49.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 24.167 27.772 48.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.729 29.329 47.426 1.00 0.00 H new ATOM 219 N LYS A 15 19.376 28.107 47.924 1.00 0.00 N ATOM 220 CA LYS A 15 17.943 28.019 48.178 1.00 0.00 C ATOM 221 C LYS A 15 17.165 28.329 46.906 1.00 0.00 C ATOM 222 O LYS A 15 16.027 28.795 46.960 1.00 0.00 O ATOM 223 CB LYS A 15 17.549 28.997 49.280 1.00 0.00 C ATOM 224 CG LYS A 15 17.933 30.427 48.913 1.00 0.00 C ATOM 225 CD LYS A 15 19.208 30.859 49.631 1.00 0.00 C ATOM 226 CE LYS A 15 19.261 32.374 49.798 1.00 0.00 C ATOM 227 NZ LYS A 15 20.521 32.938 49.237 1.00 0.00 N ATOM 0 H LYS A 15 19.702 29.042 47.679 1.00 0.00 H new ATOM 0 HA LYS A 15 17.704 27.005 48.499 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.474 28.940 49.453 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.038 28.714 50.212 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.077 30.502 47.835 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.119 31.103 49.174 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.257 30.381 50.609 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.078 30.522 49.067 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.404 32.827 49.299 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.186 32.628 50.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.527 33.970 49.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.337 32.523 49.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.580 32.715 48.223 1.00 0.00 H new ATOM 241 N HIS A 16 17.788 28.070 45.760 1.00 0.00 N ATOM 242 CA HIS A 16 17.159 28.322 44.469 1.00 0.00 C ATOM 243 C HIS A 16 16.817 27.008 43.780 1.00 0.00 C ATOM 244 O HIS A 16 17.543 26.022 43.910 1.00 0.00 O ATOM 245 CB HIS A 16 18.095 29.140 43.586 1.00 0.00 C ATOM 246 CG HIS A 16 18.177 30.576 43.998 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.679 31.707 43.437 1.00 0.00 N flip ATOM 248 CD2 HIS A 16 18.839 31.000 45.122 1.00 0.00 C flip ATOM 249 CE1 HIS A 16 18.052 32.773 44.234 1.00 0.00 C flip ATOM 250 NE2 HIS A 16 18.757 32.304 45.251 1.00 0.00 N flip ATOM 0 H HIS A 16 18.731 27.685 45.700 1.00 0.00 H new ATOM 0 HA HIS A 16 16.238 28.882 44.633 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.092 28.701 43.617 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.754 29.083 42.552 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.358 30.348 45.809 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.810 33.810 44.057 1.00 0.00 H new ATOM 0 HE2 HIS A 16 19.165 32.859 46.003 1.00 0.00 H new ATOM 258 N LEU A 17 15.711 26.999 43.045 1.00 0.00 N ATOM 259 CA LEU A 17 15.278 25.803 42.331 1.00 0.00 C ATOM 260 C LEU A 17 15.067 26.116 40.859 1.00 0.00 C ATOM 261 O LEU A 17 13.968 26.478 40.440 1.00 0.00 O ATOM 262 CB LEU A 17 13.981 25.267 42.935 1.00 0.00 C ATOM 263 CG LEU A 17 14.248 24.171 43.965 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.933 23.601 44.488 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.111 23.061 43.367 1.00 0.00 C ATOM 0 H LEU A 17 15.098 27.806 42.928 1.00 0.00 H new ATOM 0 HA LEU A 17 16.055 25.044 42.425 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.434 26.084 43.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.345 24.874 42.142 1.00 0.00 H new ATOM 0 HG LEU A 17 14.793 24.613 44.799 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.140 22.821 45.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.353 24.396 44.958 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.365 23.178 43.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.288 22.292 44.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.597 22.621 42.512 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.065 23.477 43.042 1.00 0.00 H new ATOM 277 N ALA A 18 16.127 25.967 40.076 1.00 0.00 N ATOM 278 CA ALA A 18 16.063 26.227 38.645 1.00 0.00 C ATOM 279 C ALA A 18 15.510 25.006 37.922 1.00 0.00 C ATOM 280 O ALA A 18 15.783 23.870 38.310 1.00 0.00 O ATOM 281 CB ALA A 18 17.453 26.562 38.118 1.00 0.00 C ATOM 0 H ALA A 18 17.043 25.667 40.409 1.00 0.00 H new ATOM 0 HA ALA A 18 15.402 27.075 38.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.399 26.756 37.047 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.832 27.448 38.628 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.124 25.723 38.302 1.00 0.00 H new ATOM 287 N VAL A 19 14.725 25.239 36.875 1.00 0.00 N ATOM 288 CA VAL A 19 14.133 24.146 36.113 1.00 0.00 C ATOM 289 C VAL A 19 14.171 24.441 34.617 1.00 0.00 C ATOM 290 O VAL A 19 14.029 25.589 34.198 1.00 0.00 O ATOM 291 CB VAL A 19 12.691 23.926 36.563 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.632 23.699 38.071 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.815 25.110 36.165 1.00 0.00 C ATOM 0 H VAL A 19 14.485 26.171 36.536 1.00 0.00 H new ATOM 0 HA VAL A 19 14.714 23.242 36.298 1.00 0.00 H new ATOM 0 HB VAL A 19 12.308 23.036 36.064 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.597 23.544 38.375 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.222 22.820 38.330 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.035 24.571 38.586 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.791 24.933 36.495 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.195 26.018 36.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.832 25.227 35.081 1.00 0.00 H new ATOM 303 N LEU A 20 14.356 23.396 33.819 1.00 0.00 N ATOM 304 CA LEU A 20 14.405 23.539 32.368 1.00 0.00 C ATOM 305 C LEU A 20 13.075 23.132 31.747 1.00 0.00 C ATOM 306 O LEU A 20 13.024 22.256 30.885 1.00 0.00 O ATOM 307 CB LEU A 20 15.529 22.679 31.799 1.00 0.00 C ATOM 308 CG LEU A 20 16.267 23.403 30.677 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.343 22.503 30.077 1.00 0.00 C ATOM 310 CD2 LEU A 20 15.289 23.860 29.599 1.00 0.00 C ATOM 0 H LEU A 20 14.475 22.439 34.152 1.00 0.00 H new ATOM 0 HA LEU A 20 14.596 24.585 32.127 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.231 22.422 32.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.118 21.743 31.422 1.00 0.00 H new ATOM 0 HG LEU A 20 16.751 24.285 31.097 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.859 23.036 29.278 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.059 22.227 30.851 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.880 21.603 29.673 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.834 24.374 28.808 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.776 22.993 29.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.557 24.539 30.036 1.00 0.00 H new ATOM 322 N VAL A 21 11.998 23.774 32.191 1.00 0.00 N ATOM 323 CA VAL A 21 10.664 23.479 31.677 1.00 0.00 C ATOM 324 C VAL A 21 10.555 23.911 30.215 1.00 0.00 C ATOM 325 O VAL A 21 10.413 25.096 29.914 1.00 0.00 O ATOM 326 CB VAL A 21 9.603 24.180 32.534 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.977 25.635 32.773 1.00 0.00 C ATOM 328 CG2 VAL A 21 8.216 24.075 31.896 1.00 0.00 C ATOM 0 H VAL A 21 12.023 24.502 32.905 1.00 0.00 H new ATOM 0 HA VAL A 21 10.492 22.404 31.729 1.00 0.00 H new ATOM 0 HB VAL A 21 9.566 23.673 33.498 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.210 26.112 33.383 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.935 25.684 33.291 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.054 26.153 31.817 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.486 24.581 32.527 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.232 24.543 30.912 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.941 23.025 31.794 1.00 0.00 H new ATOM 338 N LYS A 22 10.623 22.938 29.311 1.00 0.00 N ATOM 339 CA LYS A 22 10.532 23.212 27.880 1.00 0.00 C ATOM 340 C LYS A 22 10.279 21.922 27.109 1.00 0.00 C ATOM 341 O LYS A 22 10.909 20.897 27.372 1.00 0.00 O ATOM 342 CB LYS A 22 11.822 23.866 27.392 1.00 0.00 C ATOM 343 CG LYS A 22 11.543 25.204 26.715 1.00 0.00 C ATOM 344 CD LYS A 22 12.681 25.597 25.777 1.00 0.00 C ATOM 345 CE LYS A 22 12.315 26.821 24.944 1.00 0.00 C ATOM 346 NZ LYS A 22 11.560 26.435 23.718 1.00 0.00 N ATOM 0 H LYS A 22 10.741 21.952 29.544 1.00 0.00 H new ATOM 0 HA LYS A 22 9.699 23.893 27.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.497 24.016 28.234 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.328 23.200 26.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.611 25.143 26.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.409 25.977 27.472 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.579 25.806 26.359 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.916 24.762 25.117 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.714 27.505 25.543 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.222 27.356 24.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.325 27.288 23.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.144 25.801 23.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.683 25.946 23.990 1.00 0.00 H new ATOM 360 N TYR A 23 9.353 21.978 26.158 1.00 0.00 N ATOM 361 CA TYR A 23 9.013 20.813 25.346 1.00 0.00 C ATOM 362 C TYR A 23 8.397 21.249 24.023 1.00 0.00 C ATOM 363 O TYR A 23 7.503 20.587 23.496 1.00 0.00 O ATOM 364 CB TYR A 23 8.036 19.919 26.103 1.00 0.00 C ATOM 365 CG TYR A 23 6.961 20.694 26.816 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.816 21.075 26.140 1.00 0.00 C ATOM 367 CD2 TYR A 23 7.116 21.023 28.151 1.00 0.00 C ATOM 368 CE1 TYR A 23 4.828 21.786 26.798 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.128 21.733 28.808 1.00 0.00 C ATOM 370 CZ TYR A 23 4.988 22.111 28.129 1.00 0.00 C ATOM 371 OH TYR A 23 4.005 22.817 28.784 1.00 0.00 O ATOM 0 H TYR A 23 8.823 22.819 25.929 1.00 0.00 H new ATOM 0 HA TYR A 23 9.925 20.253 25.140 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.572 19.224 25.404 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.587 19.321 26.829 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.693 20.817 25.098 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.009 20.725 28.680 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.934 22.086 26.271 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.248 21.991 29.850 1.00 0.00 H new ATOM 0 HH TYR A 23 4.122 22.720 29.752 1.00 0.00 H new ATOM 381 N GLU A 24 8.880 22.366 23.489 1.00 0.00 N ATOM 382 CA GLU A 24 8.376 22.893 22.225 1.00 0.00 C ATOM 383 C GLU A 24 6.856 22.998 22.260 1.00 0.00 C ATOM 384 O GLU A 24 6.248 22.979 23.330 1.00 0.00 O ATOM 385 CB GLU A 24 8.807 21.990 21.073 1.00 0.00 C ATOM 386 CG GLU A 24 9.371 22.806 19.914 1.00 0.00 C ATOM 387 CD GLU A 24 10.103 21.897 18.936 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.947 21.095 19.386 1.00 0.00 O ATOM 389 OE2 GLU A 24 9.831 21.989 17.720 1.00 0.00 O ATOM 0 H GLU A 24 9.621 22.925 23.912 1.00 0.00 H new ATOM 0 HA GLU A 24 8.792 23.889 22.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.559 21.283 21.423 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.955 21.404 20.728 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.564 23.328 19.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.053 23.567 20.294 1.00 0.00 H new ATOM 396 N GLY A 25 6.247 23.109 21.084 1.00 0.00 N ATOM 397 CA GLY A 25 4.796 23.217 20.981 1.00 0.00 C ATOM 398 C GLY A 25 4.299 24.467 21.694 1.00 0.00 C ATOM 399 O GLY A 25 4.431 25.579 21.182 1.00 0.00 O ATOM 0 H GLY A 25 6.736 23.127 20.189 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.502 23.249 19.932 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.329 22.334 21.416 1.00 0.00 H new ATOM 403 N ASP A 26 3.730 24.280 22.880 1.00 0.00 N ATOM 404 CA ASP A 26 3.216 25.397 23.666 1.00 0.00 C ATOM 405 C ASP A 26 4.365 26.271 24.149 1.00 0.00 C ATOM 406 O ASP A 26 5.365 25.770 24.662 1.00 0.00 O ATOM 407 CB ASP A 26 2.421 24.874 24.858 1.00 0.00 C ATOM 408 CG ASP A 26 1.271 23.997 24.381 1.00 0.00 C ATOM 409 OD1 ASP A 26 0.659 24.330 23.344 1.00 0.00 O ATOM 410 OD2 ASP A 26 0.985 22.978 25.044 1.00 0.00 O ATOM 0 H ASP A 26 3.613 23.366 23.318 1.00 0.00 H new ATOM 0 HA ASP A 26 2.558 25.997 23.037 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.074 24.302 25.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.033 25.710 25.440 1.00 0.00 H new ATOM 415 N THR A 27 4.220 27.580 23.976 1.00 0.00 N ATOM 416 CA THR A 27 5.250 28.525 24.390 1.00 0.00 C ATOM 417 C THR A 27 5.223 28.718 25.901 1.00 0.00 C ATOM 418 O THR A 27 4.354 28.185 26.591 1.00 0.00 O ATOM 419 CB THR A 27 5.039 29.864 23.689 1.00 0.00 C ATOM 420 OG1 THR A 27 4.375 29.664 22.451 1.00 0.00 O ATOM 421 CG2 THR A 27 6.373 30.569 23.459 1.00 0.00 C ATOM 0 H THR A 27 3.399 28.011 23.552 1.00 0.00 H new ATOM 0 HA THR A 27 6.224 28.123 24.110 1.00 0.00 H new ATOM 0 HB THR A 27 4.422 30.495 24.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.242 30.528 22.008 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.200 31.521 22.958 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.861 30.747 24.418 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.013 29.943 22.837 1.00 0.00 H new ATOM 429 N MET A 28 6.186 29.481 26.408 1.00 0.00 N ATOM 430 CA MET A 28 6.285 29.748 27.839 1.00 0.00 C ATOM 431 C MET A 28 5.673 31.101 28.171 1.00 0.00 C ATOM 432 O MET A 28 5.987 32.106 27.535 1.00 0.00 O ATOM 433 CB MET A 28 7.745 29.734 28.265 1.00 0.00 C ATOM 434 CG MET A 28 8.461 28.492 27.744 1.00 0.00 C ATOM 435 SD MET A 28 9.750 28.891 26.553 1.00 0.00 S ATOM 436 CE MET A 28 11.160 29.135 27.646 1.00 0.00 C ATOM 0 H MET A 28 6.912 29.927 25.847 1.00 0.00 H new ATOM 0 HA MET A 28 5.740 28.972 28.376 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.244 30.628 27.891 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.809 29.764 29.353 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.900 27.951 28.582 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.735 27.825 27.279 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.051 29.337 27.051 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.966 29.980 28.307 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.318 28.236 28.242 1.00 0.00 H new ATOM 446 N ALA A 29 4.799 31.123 29.169 1.00 0.00 N ATOM 447 CA ALA A 29 4.143 32.358 29.580 1.00 0.00 C ATOM 448 C ALA A 29 4.496 32.701 31.022 1.00 0.00 C ATOM 449 O ALA A 29 4.947 33.809 31.312 1.00 0.00 O ATOM 450 CB ALA A 29 2.633 32.210 29.432 1.00 0.00 C ATOM 0 H ALA A 29 4.528 30.301 29.708 1.00 0.00 H new ATOM 0 HA ALA A 29 4.491 33.169 28.940 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.145 33.135 29.740 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.388 32.000 28.391 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.285 31.390 30.059 1.00 0.00 H new ATOM 456 N GLU A 30 4.289 31.748 31.925 1.00 0.00 N ATOM 457 CA GLU A 30 4.588 31.959 33.338 1.00 0.00 C ATOM 458 C GLU A 30 4.696 30.627 34.068 1.00 0.00 C ATOM 459 O GLU A 30 4.180 29.609 33.606 1.00 0.00 O ATOM 460 CB GLU A 30 3.497 32.813 33.979 1.00 0.00 C ATOM 461 CG GLU A 30 3.996 34.226 34.263 1.00 0.00 C ATOM 462 CD GLU A 30 2.977 35.252 33.785 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.607 35.212 32.593 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.549 36.094 34.603 1.00 0.00 O ATOM 0 H GLU A 30 3.916 30.824 31.705 1.00 0.00 H new ATOM 0 HA GLU A 30 5.544 32.477 33.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.631 32.857 33.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.167 32.348 34.908 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.172 34.349 35.332 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.950 34.390 33.762 1.00 0.00 H new ATOM 471 N VAL A 31 5.368 30.644 35.215 1.00 0.00 N ATOM 472 CA VAL A 31 5.548 29.443 36.024 1.00 0.00 C ATOM 473 C VAL A 31 5.478 29.798 37.503 1.00 0.00 C ATOM 474 O VAL A 31 5.558 30.970 37.871 1.00 0.00 O ATOM 475 CB VAL A 31 6.893 28.793 35.708 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.995 27.422 36.368 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.094 28.673 34.201 1.00 0.00 C ATOM 0 H VAL A 31 5.799 31.481 35.607 1.00 0.00 H new ATOM 0 HA VAL A 31 4.751 28.737 35.789 1.00 0.00 H new ATOM 0 HB VAL A 31 7.681 29.430 36.110 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.960 26.975 36.131 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.901 27.530 37.448 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.197 26.779 35.997 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.058 28.207 33.999 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.299 28.061 33.776 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.068 29.665 33.750 1.00 0.00 H new ATOM 487 N GLU A 32 5.319 28.785 38.349 1.00 0.00 N ATOM 488 CA GLU A 32 5.230 29.000 39.781 1.00 0.00 C ATOM 489 C GLU A 32 5.181 27.670 40.523 1.00 0.00 C ATOM 490 O GLU A 32 4.641 26.686 40.018 1.00 0.00 O ATOM 491 CB GLU A 32 3.983 29.808 40.085 1.00 0.00 C ATOM 492 CG GLU A 32 2.719 29.035 39.720 1.00 0.00 C ATOM 493 CD GLU A 32 1.605 29.997 39.330 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.881 31.209 39.204 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.458 29.537 39.151 1.00 0.00 O ATOM 0 H GLU A 32 5.250 27.808 38.063 1.00 0.00 H new ATOM 0 HA GLU A 32 6.114 29.544 40.115 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.962 30.064 41.144 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.011 30.746 39.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.927 28.354 38.894 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.402 28.424 40.565 1.00 0.00 H new ATOM 502 N LEU A 33 5.742 27.648 41.730 1.00 0.00 N ATOM 503 CA LEU A 33 5.753 26.437 42.544 1.00 0.00 C ATOM 504 C LEU A 33 4.814 26.592 43.738 1.00 0.00 C ATOM 505 O LEU A 33 4.296 27.679 43.993 1.00 0.00 O ATOM 506 CB LEU A 33 7.179 26.117 43.009 1.00 0.00 C ATOM 507 CG LEU A 33 7.645 27.040 44.134 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.232 26.473 45.490 1.00 0.00 C ATOM 509 CD2 LEU A 33 9.159 27.233 44.072 1.00 0.00 C ATOM 0 H LEU A 33 6.193 28.453 42.164 1.00 0.00 H new ATOM 0 HA LEU A 33 5.399 25.604 41.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.224 25.082 43.349 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.862 26.205 42.164 1.00 0.00 H new ATOM 0 HG LEU A 33 7.169 28.012 44.007 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.571 27.141 46.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.147 26.382 45.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.684 25.490 45.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.475 27.893 44.880 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.654 26.267 44.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.430 27.677 43.114 1.00 0.00 H new ATOM 521 N ARG A 34 4.590 25.499 44.461 1.00 0.00 N ATOM 522 CA ARG A 34 3.703 25.516 45.621 1.00 0.00 C ATOM 523 C ARG A 34 4.506 25.577 46.914 1.00 0.00 C ATOM 524 O ARG A 34 4.279 26.450 47.751 1.00 0.00 O ATOM 525 CB ARG A 34 2.823 24.270 45.622 1.00 0.00 C ATOM 526 CG ARG A 34 1.574 24.475 46.475 1.00 0.00 C ATOM 527 CD ARG A 34 0.582 23.330 46.287 1.00 0.00 C ATOM 528 NE ARG A 34 0.692 22.378 47.388 1.00 0.00 N ATOM 529 CZ ARG A 34 -0.335 22.113 48.188 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.569 22.086 47.701 1.00 0.00 N ATOM 531 NH2 ARG A 34 -0.131 21.874 49.476 1.00 0.00 N ATOM 0 H ARG A 34 5.010 24.590 44.265 1.00 0.00 H new ATOM 0 HA ARG A 34 3.075 26.404 45.559 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.532 24.026 44.600 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.391 23.421 46.003 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.856 24.546 47.526 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.099 25.419 46.207 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.433 23.724 46.238 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.774 22.825 45.340 1.00 0.00 H new ATOM 0 HE ARG A 34 1.581 21.904 47.547 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.731 22.269 46.711 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.356 21.882 48.317 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.816 21.893 49.855 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.921 21.671 50.088 1.00 0.00 H new ATOM 545 N GLU A 35 5.427 24.622 47.073 1.00 0.00 N ATOM 546 CA GLU A 35 6.276 24.513 48.266 1.00 0.00 C ATOM 547 C GLU A 35 5.566 23.667 49.308 1.00 0.00 C ATOM 548 O GLU A 35 5.744 23.854 50.511 1.00 0.00 O ATOM 549 CB GLU A 35 6.623 25.889 48.842 1.00 0.00 C ATOM 550 CG GLU A 35 8.096 25.969 49.226 1.00 0.00 C ATOM 551 CD GLU A 35 8.457 27.394 49.626 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.716 27.992 50.434 1.00 0.00 O ATOM 553 OE2 GLU A 35 9.481 27.910 49.130 1.00 0.00 O ATOM 0 H GLU A 35 5.606 23.899 46.376 1.00 0.00 H new ATOM 0 HA GLU A 35 7.214 24.037 47.980 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.393 26.662 48.109 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.005 26.086 49.718 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.302 25.288 50.052 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.716 25.650 48.388 1.00 0.00 H new ATOM 560 N HIS A 36 4.761 22.730 48.819 1.00 0.00 N ATOM 561 CA HIS A 36 3.998 21.822 49.662 1.00 0.00 C ATOM 562 C HIS A 36 3.287 22.570 50.790 1.00 0.00 C ATOM 563 O HIS A 36 2.130 22.966 50.644 1.00 0.00 O ATOM 564 CB HIS A 36 4.911 20.738 50.229 1.00 0.00 C ATOM 565 CG HIS A 36 4.201 19.823 51.178 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.978 19.264 50.910 1.00 0.00 N ATOM 567 CD2 HIS A 36 4.535 19.358 52.409 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.579 18.505 51.904 1.00 0.00 C ATOM 569 NE2 HIS A 36 3.510 18.538 52.844 1.00 0.00 N ATOM 0 H HIS A 36 4.620 22.580 47.820 1.00 0.00 H new ATOM 0 HA HIS A 36 3.232 21.352 49.045 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.326 20.153 49.409 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.750 21.207 50.742 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.440 19.588 52.952 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.653 17.951 51.947 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.477 18.044 53.736 1.00 0.00 H new ATOM 577 N GLY A 37 3.975 22.756 51.917 1.00 0.00 N ATOM 578 CA GLY A 37 3.402 23.448 53.073 1.00 0.00 C ATOM 579 C GLY A 37 2.612 24.684 52.653 1.00 0.00 C ATOM 580 O GLY A 37 1.459 24.858 53.048 1.00 0.00 O ATOM 0 H GLY A 37 4.934 22.436 52.054 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.749 22.767 53.619 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.200 23.740 53.755 1.00 0.00 H new ATOM 584 N SER A 38 3.238 25.540 51.851 1.00 0.00 N ATOM 585 CA SER A 38 2.591 26.761 51.379 1.00 0.00 C ATOM 586 C SER A 38 1.214 26.450 50.804 1.00 0.00 C ATOM 587 O SER A 38 1.095 25.989 49.668 1.00 0.00 O ATOM 588 CB SER A 38 3.457 27.430 50.315 1.00 0.00 C ATOM 589 OG SER A 38 4.061 28.606 50.832 1.00 0.00 O ATOM 0 H SER A 38 4.192 25.411 51.514 1.00 0.00 H new ATOM 0 HA SER A 38 2.470 27.438 52.224 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.227 26.737 49.977 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.848 27.679 49.446 1.00 0.00 H new ATOM 0 HG SER A 38 4.614 29.022 50.138 1.00 0.00 H new ATOM 595 N ASP A 39 0.176 26.705 51.594 1.00 0.00 N ATOM 596 CA ASP A 39 -1.197 26.452 51.164 1.00 0.00 C ATOM 597 C ASP A 39 -1.453 27.100 49.810 1.00 0.00 C ATOM 598 O ASP A 39 -2.262 26.614 49.020 1.00 0.00 O ATOM 599 CB ASP A 39 -2.177 27.002 52.197 1.00 0.00 C ATOM 600 CG ASP A 39 -3.594 26.551 51.870 1.00 0.00 C ATOM 601 OD1 ASP A 39 -3.993 25.461 52.331 1.00 0.00 O ATOM 602 OD2 ASP A 39 -4.303 27.288 51.153 1.00 0.00 O ATOM 0 H ASP A 39 0.258 27.087 52.536 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.343 25.376 51.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.899 26.657 53.193 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.128 28.091 52.212 1.00 0.00 H new ATOM 607 N GLU A 40 -0.756 28.200 49.548 1.00 0.00 N ATOM 608 CA GLU A 40 -0.901 28.919 48.287 1.00 0.00 C ATOM 609 C GLU A 40 0.339 28.725 47.426 1.00 0.00 C ATOM 610 O GLU A 40 1.384 28.297 47.914 1.00 0.00 O ATOM 611 CB GLU A 40 -1.119 30.405 48.556 1.00 0.00 C ATOM 612 CG GLU A 40 0.099 31.026 49.235 1.00 0.00 C ATOM 613 CD GLU A 40 -0.079 32.533 49.363 1.00 0.00 C ATOM 614 OE1 GLU A 40 -0.708 33.137 48.469 1.00 0.00 O ATOM 615 OE2 GLU A 40 0.414 33.108 50.356 1.00 0.00 O ATOM 0 H GLU A 40 -0.083 28.614 50.193 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.766 28.523 47.755 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.319 30.922 47.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.998 30.538 49.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.239 30.584 50.222 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.997 30.807 48.658 1.00 0.00 H new ATOM 622 N TRP A 41 0.218 29.042 46.142 1.00 0.00 N ATOM 623 CA TRP A 41 1.332 28.902 45.212 1.00 0.00 C ATOM 624 C TRP A 41 2.179 30.168 45.207 1.00 0.00 C ATOM 625 O TRP A 41 1.672 31.266 45.439 1.00 0.00 O ATOM 626 CB TRP A 41 0.808 28.623 43.807 1.00 0.00 C ATOM 627 CG TRP A 41 -0.002 27.365 43.733 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.305 27.205 44.118 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.437 26.081 43.241 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.675 25.910 43.889 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.644 25.198 43.357 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.637 25.596 42.716 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.556 23.871 42.970 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.732 24.267 42.325 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.645 23.412 42.451 1.00 0.00 C ATOM 0 H TRP A 41 -0.640 29.398 45.721 1.00 0.00 H new ATOM 0 HA TRP A 41 1.952 28.065 45.534 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.197 29.464 43.477 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.649 28.550 43.117 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.937 27.975 44.534 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.599 25.528 44.090 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.488 26.253 42.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.403 23.209 43.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.661 23.894 41.919 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.736 22.381 42.142 1.00 0.00 H new ATOM 646 N VAL A 42 3.470 30.009 44.939 1.00 0.00 N ATOM 647 CA VAL A 42 4.389 31.142 44.902 1.00 0.00 C ATOM 648 C VAL A 42 4.944 31.321 43.496 1.00 0.00 C ATOM 649 O VAL A 42 5.678 30.469 42.994 1.00 0.00 O ATOM 650 CB VAL A 42 5.530 30.921 45.891 1.00 0.00 C ATOM 651 CG1 VAL A 42 5.033 31.079 47.325 1.00 0.00 C ATOM 652 CG2 VAL A 42 6.156 29.545 45.689 1.00 0.00 C ATOM 0 H VAL A 42 3.905 29.107 44.744 1.00 0.00 H new ATOM 0 HA VAL A 42 3.847 32.045 45.183 1.00 0.00 H new ATOM 0 HB VAL A 42 6.295 31.675 45.707 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.860 30.918 48.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.635 32.084 47.463 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.249 30.348 47.521 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.968 29.406 46.403 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.400 28.775 45.844 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.548 29.469 44.675 1.00 0.00 H new ATOM 662 N ALA A 43 4.588 32.435 42.863 1.00 0.00 N ATOM 663 CA ALA A 43 5.048 32.732 41.508 1.00 0.00 C ATOM 664 C ALA A 43 6.556 32.540 41.399 1.00 0.00 C ATOM 665 O ALA A 43 7.317 33.044 42.225 1.00 0.00 O ATOM 666 CB ALA A 43 4.678 34.164 41.135 1.00 0.00 C ATOM 0 H ALA A 43 3.981 33.149 43.267 1.00 0.00 H new ATOM 0 HA ALA A 43 4.560 32.044 40.818 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.024 34.378 40.124 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.596 34.284 41.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.149 34.855 41.834 1.00 0.00 H new ATOM 672 N MET A 44 6.980 31.810 40.374 1.00 0.00 N ATOM 673 CA MET A 44 8.397 31.548 40.150 1.00 0.00 C ATOM 674 C MET A 44 9.141 32.856 39.910 1.00 0.00 C ATOM 675 O MET A 44 8.587 33.938 40.099 1.00 0.00 O ATOM 676 CB MET A 44 8.565 30.626 38.947 1.00 0.00 C ATOM 677 CG MET A 44 8.885 29.199 39.377 1.00 0.00 C ATOM 678 SD MET A 44 10.643 28.828 39.262 1.00 0.00 S ATOM 679 CE MET A 44 10.819 27.595 40.561 1.00 0.00 C ATOM 0 H MET A 44 6.360 31.388 39.683 1.00 0.00 H new ATOM 0 HA MET A 44 8.813 31.065 41.034 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.651 30.632 38.353 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.364 31.002 38.308 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.550 29.048 40.403 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.327 28.500 38.754 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.607 27.901 41.249 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.879 27.502 41.104 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.078 26.634 40.117 1.00 0.00 H new ATOM 689 N THR A 45 10.397 32.751 39.488 1.00 0.00 N ATOM 690 CA THR A 45 11.214 33.929 39.219 1.00 0.00 C ATOM 691 C THR A 45 12.078 33.703 37.986 1.00 0.00 C ATOM 692 O THR A 45 13.045 32.942 38.024 1.00 0.00 O ATOM 693 CB THR A 45 12.098 34.244 40.422 1.00 0.00 C ATOM 694 OG1 THR A 45 11.299 34.391 41.586 1.00 0.00 O ATOM 695 CG2 THR A 45 12.909 35.514 40.180 1.00 0.00 C ATOM 0 H THR A 45 10.871 31.863 39.325 1.00 0.00 H new ATOM 0 HA THR A 45 10.552 34.775 39.035 1.00 0.00 H new ATOM 0 HB THR A 45 12.792 33.416 40.566 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.874 34.592 42.354 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.532 35.719 41.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.543 35.379 39.304 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.232 36.352 40.013 1.00 0.00 H new ATOM 703 N LYS A 46 11.723 34.368 36.892 1.00 0.00 N ATOM 704 CA LYS A 46 12.465 34.242 35.643 1.00 0.00 C ATOM 705 C LYS A 46 13.766 35.028 35.721 1.00 0.00 C ATOM 706 O LYS A 46 13.971 35.986 34.975 1.00 0.00 O ATOM 707 CB LYS A 46 11.618 34.751 34.480 1.00 0.00 C ATOM 708 CG LYS A 46 11.076 36.150 34.761 1.00 0.00 C ATOM 709 CD LYS A 46 10.572 36.815 33.483 1.00 0.00 C ATOM 710 CE LYS A 46 11.719 37.104 32.520 1.00 0.00 C ATOM 711 NZ LYS A 46 11.315 38.086 31.475 1.00 0.00 N ATOM 0 H LYS A 46 10.924 35.001 36.845 1.00 0.00 H new ATOM 0 HA LYS A 46 12.700 33.190 35.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.218 34.767 33.570 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.789 34.066 34.304 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.265 36.089 35.487 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.859 36.763 35.208 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.841 36.168 32.998 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.060 37.745 33.732 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.574 37.491 33.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.041 36.177 32.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.116 38.262 30.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.515 37.705 30.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.031 38.978 31.928 1.00 0.00 H new ATOM 725 N GLY A 47 14.645 34.616 36.628 1.00 0.00 N ATOM 726 CA GLY A 47 15.932 35.280 36.807 1.00 0.00 C ATOM 727 C GLY A 47 16.904 34.870 35.710 1.00 0.00 C ATOM 728 O GLY A 47 17.824 35.616 35.371 1.00 0.00 O ATOM 0 H GLY A 47 14.490 33.824 37.252 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.794 36.361 36.793 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.347 35.024 37.782 1.00 0.00 H new ATOM 732 N GLU A 48 16.696 33.679 35.156 1.00 0.00 N ATOM 733 CA GLU A 48 17.553 33.168 34.095 1.00 0.00 C ATOM 734 C GLU A 48 17.094 33.697 32.744 1.00 0.00 C ATOM 735 O GLU A 48 16.252 34.592 32.670 1.00 0.00 O ATOM 736 CB GLU A 48 17.522 31.643 34.092 1.00 0.00 C ATOM 737 CG GLU A 48 18.816 31.067 34.661 1.00 0.00 C ATOM 738 CD GLU A 48 18.690 30.866 36.165 1.00 0.00 C ATOM 739 OE1 GLU A 48 17.893 30.001 36.585 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.388 31.574 36.921 1.00 0.00 O ATOM 0 H GLU A 48 15.940 33.050 35.426 1.00 0.00 H new ATOM 0 HA GLU A 48 18.573 33.506 34.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.674 31.292 34.680 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.375 31.281 33.074 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.042 30.116 34.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.647 31.739 34.446 1.00 0.00 H new ATOM 747 N GLY A 49 17.653 33.140 31.677 1.00 0.00 N ATOM 748 CA GLY A 49 17.303 33.555 30.325 1.00 0.00 C ATOM 749 C GLY A 49 16.454 32.495 29.636 1.00 0.00 C ATOM 750 O GLY A 49 15.664 32.805 28.743 1.00 0.00 O ATOM 0 H GLY A 49 18.352 32.398 31.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.758 34.498 30.359 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.211 33.732 29.748 1.00 0.00 H new ATOM 754 N GLY A 50 16.625 31.241 30.045 1.00 0.00 N ATOM 755 CA GLY A 50 15.874 30.138 29.450 1.00 0.00 C ATOM 756 C GLY A 50 15.238 29.232 30.505 1.00 0.00 C ATOM 757 O GLY A 50 14.519 28.294 30.162 1.00 0.00 O ATOM 0 H GLY A 50 17.273 30.963 30.782 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.095 30.540 28.802 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.539 29.547 28.820 1.00 0.00 H new ATOM 761 N VAL A 51 15.496 29.500 31.785 1.00 0.00 N ATOM 762 CA VAL A 51 14.931 28.683 32.856 1.00 0.00 C ATOM 763 C VAL A 51 14.365 29.564 33.961 1.00 0.00 C ATOM 764 O VAL A 51 14.615 30.768 33.997 1.00 0.00 O ATOM 765 CB VAL A 51 15.997 27.754 33.429 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.539 26.826 32.346 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.129 28.560 34.056 1.00 0.00 C ATOM 0 H VAL A 51 16.087 30.269 32.102 1.00 0.00 H new ATOM 0 HA VAL A 51 14.122 28.083 32.439 1.00 0.00 H new ATOM 0 HB VAL A 51 15.537 27.144 34.206 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.298 26.171 32.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.725 26.223 31.943 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.981 27.420 31.546 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.880 27.880 34.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.586 29.197 33.298 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.732 29.180 34.860 1.00 0.00 H new ATOM 777 N TRP A 52 13.595 28.956 34.858 1.00 0.00 N ATOM 778 CA TRP A 52 12.984 29.687 35.965 1.00 0.00 C ATOM 779 C TRP A 52 13.544 29.206 37.296 1.00 0.00 C ATOM 780 O TRP A 52 13.663 28.004 37.535 1.00 0.00 O ATOM 781 CB TRP A 52 11.465 29.502 35.952 1.00 0.00 C ATOM 782 CG TRP A 52 10.903 29.327 34.573 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.137 28.286 34.128 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.069 30.220 33.453 1.00 0.00 C ATOM 785 NE1 TRP A 52 9.827 28.499 32.814 1.00 0.00 N ATOM 786 CE2 TRP A 52 10.375 29.664 32.370 1.00 0.00 C ATOM 787 CE3 TRP A 52 11.733 31.432 33.264 1.00 0.00 C ATOM 788 CZ2 TRP A 52 10.332 30.280 31.131 1.00 0.00 C ATOM 789 CZ3 TRP A 52 11.694 32.054 32.024 1.00 0.00 C ATOM 790 CH2 TRP A 52 10.998 31.482 30.967 1.00 0.00 C ATOM 0 H TRP A 52 13.379 27.959 34.841 1.00 0.00 H new ATOM 0 HA TRP A 52 13.217 30.745 35.843 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.206 28.632 36.556 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.996 30.367 36.421 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.828 27.436 34.717 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.262 27.870 32.243 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.276 31.885 34.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.791 29.832 30.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.210 32.992 31.880 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.976 31.980 30.009 1.00 0.00 H new ATOM 801 N THR A 53 13.876 30.154 38.165 1.00 0.00 N ATOM 802 CA THR A 53 14.413 29.837 39.484 1.00 0.00 C ATOM 803 C THR A 53 13.527 30.449 40.560 1.00 0.00 C ATOM 804 O THR A 53 12.653 31.263 40.263 1.00 0.00 O ATOM 805 CB THR A 53 15.837 30.371 39.611 1.00 0.00 C ATOM 806 OG1 THR A 53 16.064 31.385 38.645 1.00 0.00 O ATOM 807 CG2 THR A 53 16.857 29.249 39.440 1.00 0.00 C ATOM 0 H THR A 53 13.782 31.153 37.979 1.00 0.00 H new ATOM 0 HA THR A 53 14.432 28.755 39.611 1.00 0.00 H new ATOM 0 HB THR A 53 15.956 30.793 40.609 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.646 31.038 37.937 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.864 29.655 39.535 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.697 28.492 40.208 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.739 28.797 38.455 1.00 0.00 H new ATOM 815 N PHE A 54 13.749 30.057 41.810 1.00 0.00 N ATOM 816 CA PHE A 54 12.956 30.577 42.921 1.00 0.00 C ATOM 817 C PHE A 54 13.741 30.517 44.225 1.00 0.00 C ATOM 818 O PHE A 54 14.144 29.442 44.668 1.00 0.00 O ATOM 819 CB PHE A 54 11.665 29.774 43.060 1.00 0.00 C ATOM 820 CG PHE A 54 10.799 30.252 44.198 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.915 31.300 44.004 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.888 29.644 45.440 1.00 0.00 C ATOM 823 CE1 PHE A 54 9.121 31.741 45.049 1.00 0.00 C ATOM 824 CE2 PHE A 54 10.094 30.085 46.486 1.00 0.00 C ATOM 825 CZ PHE A 54 9.210 31.133 46.290 1.00 0.00 C ATOM 0 H PHE A 54 14.467 29.385 42.080 1.00 0.00 H new ATOM 0 HA PHE A 54 12.716 31.619 42.710 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.101 29.837 42.129 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.911 28.723 43.213 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.845 31.774 43.036 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.577 28.826 45.593 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.432 32.559 44.896 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.164 29.612 47.454 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.590 31.476 47.105 1.00 0.00 H new ATOM 835 N ASP A 55 13.947 31.678 44.840 1.00 0.00 N ATOM 836 CA ASP A 55 14.676 31.760 46.102 1.00 0.00 C ATOM 837 C ASP A 55 13.772 31.340 47.255 1.00 0.00 C ATOM 838 O ASP A 55 12.619 31.763 47.335 1.00 0.00 O ATOM 839 CB ASP A 55 15.175 33.186 46.325 1.00 0.00 C ATOM 840 CG ASP A 55 16.181 33.222 47.467 1.00 0.00 C ATOM 841 OD1 ASP A 55 15.804 32.870 48.604 1.00 0.00 O ATOM 842 OD2 ASP A 55 17.345 33.603 47.223 1.00 0.00 O ATOM 0 H ASP A 55 13.619 32.576 44.485 1.00 0.00 H new ATOM 0 HA ASP A 55 15.532 31.087 46.060 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.637 33.564 45.413 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.334 33.841 46.552 1.00 0.00 H new ATOM 847 N SER A 56 14.296 30.501 48.142 1.00 0.00 N ATOM 848 CA SER A 56 13.527 30.020 49.287 1.00 0.00 C ATOM 849 C SER A 56 14.112 30.549 50.591 1.00 0.00 C ATOM 850 O SER A 56 15.077 31.312 50.587 1.00 0.00 O ATOM 851 CB SER A 56 13.518 28.495 49.304 1.00 0.00 C ATOM 852 OG SER A 56 13.831 27.981 48.019 1.00 0.00 O ATOM 0 H SER A 56 15.249 30.140 48.091 1.00 0.00 H new ATOM 0 HA SER A 56 12.504 30.386 49.193 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.240 28.129 50.034 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.538 28.135 49.617 1.00 0.00 H new ATOM 0 HG SER A 56 14.793 28.073 47.855 1.00 0.00 H new ATOM 858 N GLU A 57 13.517 30.136 51.706 1.00 0.00 N ATOM 859 CA GLU A 57 13.972 30.563 53.026 1.00 0.00 C ATOM 860 C GLU A 57 13.639 29.505 54.071 1.00 0.00 C ATOM 861 O GLU A 57 14.471 29.168 54.913 1.00 0.00 O ATOM 862 CB GLU A 57 13.313 31.888 53.402 1.00 0.00 C ATOM 863 CG GLU A 57 14.252 32.757 54.235 1.00 0.00 C ATOM 864 CD GLU A 57 13.479 33.448 55.351 1.00 0.00 C ATOM 865 OE1 GLU A 57 12.957 34.558 55.115 1.00 0.00 O ATOM 866 OE2 GLU A 57 13.398 32.879 56.460 1.00 0.00 O ATOM 0 H GLU A 57 12.716 29.504 51.722 1.00 0.00 H new ATOM 0 HA GLU A 57 15.053 30.697 52.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.025 32.423 52.497 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.398 31.696 53.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.047 32.143 54.659 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.730 33.502 53.599 1.00 0.00 H new ATOM 873 N GLU A 58 12.415 28.987 54.014 1.00 0.00 N ATOM 874 CA GLU A 58 11.970 27.968 54.961 1.00 0.00 C ATOM 875 C GLU A 58 12.940 26.791 54.976 1.00 0.00 C ATOM 876 O GLU A 58 13.668 26.561 54.011 1.00 0.00 O ATOM 877 CB GLU A 58 10.565 27.474 54.601 1.00 0.00 C ATOM 878 CG GLU A 58 10.355 27.354 53.088 1.00 0.00 C ATOM 879 CD GLU A 58 11.518 26.621 52.431 1.00 0.00 C ATOM 880 OE1 GLU A 58 11.505 25.373 52.418 1.00 0.00 O ATOM 881 OE2 GLU A 58 12.441 27.298 51.929 1.00 0.00 O ATOM 0 H GLU A 58 11.714 29.255 53.323 1.00 0.00 H new ATOM 0 HA GLU A 58 11.943 28.418 55.953 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.394 26.503 55.066 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.825 28.160 55.014 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.425 26.822 52.888 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.254 28.348 52.651 1.00 0.00 H new ATOM 888 N PRO A 59 12.960 26.027 56.082 1.00 0.00 N ATOM 889 CA PRO A 59 13.842 24.865 56.225 1.00 0.00 C ATOM 890 C PRO A 59 13.282 23.636 55.515 1.00 0.00 C ATOM 891 O PRO A 59 14.015 22.693 55.215 1.00 0.00 O ATOM 892 CB PRO A 59 13.899 24.639 57.728 1.00 0.00 C ATOM 893 CG PRO A 59 12.638 25.218 58.277 1.00 0.00 C ATOM 894 CD PRO A 59 12.130 26.231 57.280 1.00 0.00 C ATOM 0 HA PRO A 59 14.821 25.035 55.778 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.975 23.577 57.961 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.773 25.124 58.163 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.897 24.436 58.440 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.821 25.689 59.242 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.074 26.075 57.061 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.230 27.247 57.662 1.00 0.00 H new ATOM 902 N LEU A 60 11.977 23.652 55.250 1.00 0.00 N ATOM 903 CA LEU A 60 11.312 22.540 54.576 1.00 0.00 C ATOM 904 C LEU A 60 12.083 22.132 53.326 1.00 0.00 C ATOM 905 O LEU A 60 12.507 22.981 52.542 1.00 0.00 O ATOM 906 CB LEU A 60 9.887 22.938 54.201 1.00 0.00 C ATOM 907 CG LEU A 60 9.142 21.778 53.547 1.00 0.00 C ATOM 908 CD1 LEU A 60 8.434 20.934 54.603 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.142 22.295 52.516 1.00 0.00 C ATOM 0 H LEU A 60 11.358 24.426 55.493 1.00 0.00 H new ATOM 0 HA LEU A 60 11.281 21.690 55.257 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.350 23.261 55.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.912 23.788 53.519 1.00 0.00 H new ATOM 0 HG LEU A 60 9.869 21.149 53.034 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.908 20.111 54.119 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.169 20.534 55.301 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.719 21.553 55.144 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.621 21.453 52.061 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.419 22.947 53.006 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.671 22.854 51.744 1.00 0.00 H new ATOM 921 N GLN A 61 12.260 20.828 53.146 1.00 0.00 N ATOM 922 CA GLN A 61 12.981 20.302 51.991 1.00 0.00 C ATOM 923 C GLN A 61 12.285 19.058 51.454 1.00 0.00 C ATOM 924 O GLN A 61 12.681 17.933 51.758 1.00 0.00 O ATOM 925 CB GLN A 61 14.417 19.966 52.384 1.00 0.00 C ATOM 926 CG GLN A 61 15.415 20.558 51.394 1.00 0.00 C ATOM 927 CD GLN A 61 16.253 21.634 52.071 1.00 0.00 C ATOM 928 OE1 GLN A 61 15.799 22.762 52.260 1.00 0.00 O ATOM 929 NE2 GLN A 61 17.481 21.285 52.439 1.00 0.00 N ATOM 0 H GLN A 61 11.914 20.114 53.786 1.00 0.00 H new ATOM 0 HA GLN A 61 12.992 21.062 51.209 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.622 20.349 53.384 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.541 18.884 52.426 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.063 19.772 51.006 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.884 20.983 50.542 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.817 20.338 52.262 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.088 21.964 52.898 1.00 0.00 H new ATOM 938 N GLY A 62 11.244 19.268 50.655 1.00 0.00 N ATOM 939 CA GLY A 62 10.488 18.164 50.073 1.00 0.00 C ATOM 940 C GLY A 62 10.169 18.441 48.608 1.00 0.00 C ATOM 941 O GLY A 62 10.943 19.094 47.908 1.00 0.00 O ATOM 0 H GLY A 62 10.904 20.194 50.395 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.061 17.240 50.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.563 18.017 50.630 1.00 0.00 H new ATOM 945 N PRO A 63 9.019 17.942 48.123 1.00 0.00 N ATOM 946 CA PRO A 63 8.598 18.137 46.730 1.00 0.00 C ATOM 947 C PRO A 63 8.001 19.520 46.499 1.00 0.00 C ATOM 948 O PRO A 63 7.250 20.030 47.330 1.00 0.00 O ATOM 949 CB PRO A 63 7.550 17.056 46.510 1.00 0.00 C ATOM 950 CG PRO A 63 7.000 16.744 47.866 1.00 0.00 C ATOM 951 CD PRO A 63 8.039 17.151 48.886 1.00 0.00 C ATOM 0 HA PRO A 63 9.438 18.069 46.039 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.764 17.403 45.839 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.991 16.170 46.053 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.067 17.282 48.034 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.775 15.681 47.952 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.596 17.738 49.691 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.505 16.280 49.346 1.00 0.00 H new ATOM 959 N PHE A 64 8.337 20.120 45.362 1.00 0.00 N ATOM 960 CA PHE A 64 7.830 21.444 45.015 1.00 0.00 C ATOM 961 C PHE A 64 6.948 21.362 43.778 1.00 0.00 C ATOM 962 O PHE A 64 7.444 21.329 42.652 1.00 0.00 O ATOM 963 CB PHE A 64 8.988 22.400 44.755 1.00 0.00 C ATOM 964 CG PHE A 64 9.983 22.446 45.886 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.767 23.287 46.964 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.114 21.649 45.845 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.682 23.331 48.002 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.030 21.692 46.882 1.00 0.00 C ATOM 969 CZ PHE A 64 11.814 22.534 47.961 1.00 0.00 C ATOM 0 H PHE A 64 8.958 19.711 44.664 1.00 0.00 H new ATOM 0 HA PHE A 64 7.239 21.818 45.851 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.500 22.100 43.841 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.593 23.402 44.586 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.885 23.909 46.995 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.282 20.993 45.003 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.513 23.987 48.843 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.912 21.070 46.850 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.528 22.569 48.770 1.00 0.00 H new ATOM 979 N ASN A 65 5.638 21.335 43.991 1.00 0.00 N ATOM 980 CA ASN A 65 4.687 21.262 42.887 1.00 0.00 C ATOM 981 C ASN A 65 4.812 22.500 42.011 1.00 0.00 C ATOM 982 O ASN A 65 5.418 23.492 42.413 1.00 0.00 O ATOM 983 CB ASN A 65 3.265 21.144 43.429 1.00 0.00 C ATOM 984 CG ASN A 65 3.184 20.020 44.453 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.028 19.124 44.475 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.165 20.066 45.304 1.00 0.00 N ATOM 0 H ASN A 65 5.210 21.362 44.916 1.00 0.00 H new ATOM 0 HA ASN A 65 4.909 20.380 42.286 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.963 22.086 43.887 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.571 20.951 42.611 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.059 19.340 46.012 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.489 20.828 45.249 1.00 0.00 H new ATOM 993 N PHE A 66 4.242 22.438 40.812 1.00 0.00 N ATOM 994 CA PHE A 66 4.301 23.562 39.884 1.00 0.00 C ATOM 995 C PHE A 66 2.992 23.700 39.119 1.00 0.00 C ATOM 996 O PHE A 66 2.051 22.935 39.333 1.00 0.00 O ATOM 997 CB PHE A 66 5.457 23.368 38.908 1.00 0.00 C ATOM 998 CG PHE A 66 6.768 23.873 39.454 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.096 25.214 39.340 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.644 22.997 40.073 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.300 25.677 39.844 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.847 23.460 40.577 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.176 24.800 40.462 1.00 0.00 C ATOM 0 H PHE A 66 3.736 21.625 40.461 1.00 0.00 H new ATOM 0 HA PHE A 66 4.462 24.475 40.457 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.551 22.309 38.668 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.232 23.887 37.976 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.413 25.898 38.858 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.388 21.952 40.163 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.556 26.722 39.755 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.529 22.776 41.060 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.115 25.161 40.854 1.00 0.00 H new ATOM 1013 N ARG A 67 2.939 24.684 38.227 1.00 0.00 N ATOM 1014 CA ARG A 67 1.746 24.934 37.428 1.00 0.00 C ATOM 1015 C ARG A 67 1.923 26.197 36.596 1.00 0.00 C ATOM 1016 O ARG A 67 1.515 27.283 37.007 1.00 0.00 O ATOM 1017 CB ARG A 67 0.536 25.085 38.342 1.00 0.00 C ATOM 1018 CG ARG A 67 0.851 26.008 39.515 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.424 26.491 40.198 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.379 26.972 39.206 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.655 26.605 39.230 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.993 25.351 38.956 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.596 27.490 39.527 1.00 0.00 N ATOM 0 H ARG A 67 3.712 25.323 38.039 1.00 0.00 H new ATOM 0 HA ARG A 67 1.589 24.090 36.757 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.305 25.485 37.775 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.233 24.107 38.715 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.476 25.482 40.237 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.424 26.865 39.162 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.866 25.678 40.774 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.188 27.289 40.902 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.058 27.607 38.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.272 24.667 38.726 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.974 25.071 38.975 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.341 28.455 39.738 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.576 27.206 39.545 1.00 0.00 H new ATOM 1037 N PHE A 68 2.537 26.051 35.428 1.00 0.00 N ATOM 1038 CA PHE A 68 2.770 27.189 34.543 1.00 0.00 C ATOM 1039 C PHE A 68 1.494 27.577 33.815 1.00 0.00 C ATOM 1040 O PHE A 68 0.484 26.877 33.884 1.00 0.00 O ATOM 1041 CB PHE A 68 3.862 26.867 33.524 1.00 0.00 C ATOM 1042 CG PHE A 68 3.742 25.480 32.942 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.635 25.139 32.182 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.741 24.546 33.166 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.525 23.865 31.649 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.631 23.272 32.633 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.524 22.932 31.874 1.00 0.00 C ATOM 0 H PHE A 68 2.882 25.160 35.071 1.00 0.00 H new ATOM 0 HA PHE A 68 3.095 28.027 35.159 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.823 27.598 32.716 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.837 26.971 34.001 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.857 25.867 32.005 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.606 24.811 33.756 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.661 23.599 31.058 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.409 22.544 32.810 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.439 21.939 31.457 1.00 0.00 H new ATOM 1057 N LEU A 69 1.556 28.700 33.114 1.00 0.00 N ATOM 1058 CA LEU A 69 0.417 29.205 32.356 1.00 0.00 C ATOM 1059 C LEU A 69 0.826 29.410 30.906 1.00 0.00 C ATOM 1060 O LEU A 69 0.803 30.532 30.405 1.00 0.00 O ATOM 1061 CB LEU A 69 -0.074 30.530 32.948 1.00 0.00 C ATOM 1062 CG LEU A 69 0.063 30.559 34.471 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.157 31.973 35.001 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.922 29.588 35.115 1.00 0.00 C ATOM 0 H LEU A 69 2.390 29.284 33.054 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.394 28.479 32.409 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.495 31.354 32.516 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.118 30.686 32.674 1.00 0.00 H new ATOM 0 HG LEU A 69 1.074 30.247 34.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.056 31.975 36.086 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.584 32.644 34.566 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.157 32.312 34.729 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.810 29.622 36.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.940 29.870 34.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.720 28.577 34.761 1.00 0.00 H new ATOM 1076 N THR A 70 1.218 28.311 30.249 1.00 0.00 N ATOM 1077 CA THR A 70 1.667 28.323 28.847 1.00 0.00 C ATOM 1078 C THR A 70 0.985 29.417 28.030 1.00 0.00 C ATOM 1079 O THR A 70 -0.221 29.637 28.145 1.00 0.00 O ATOM 1080 CB THR A 70 1.395 26.967 28.207 1.00 0.00 C ATOM 1081 OG1 THR A 70 0.196 26.415 28.728 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.560 26.011 28.446 1.00 0.00 C ATOM 0 H THR A 70 1.233 27.384 30.675 1.00 0.00 H new ATOM 0 HA THR A 70 2.737 28.531 28.850 1.00 0.00 H new ATOM 0 HB THR A 70 1.284 27.110 27.132 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.386 25.963 29.577 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.343 25.050 27.980 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.468 26.428 28.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.702 25.871 29.518 1.00 0.00 H new ATOM 1090 N GLU A 71 1.774 30.099 27.206 1.00 0.00 N ATOM 1091 CA GLU A 71 1.261 31.174 26.365 1.00 0.00 C ATOM 1092 C GLU A 71 0.079 30.682 25.539 1.00 0.00 C ATOM 1093 O GLU A 71 -1.056 31.113 25.743 1.00 0.00 O ATOM 1094 CB GLU A 71 2.360 31.690 25.438 1.00 0.00 C ATOM 1095 CG GLU A 71 3.685 31.881 26.174 1.00 0.00 C ATOM 1096 CD GLU A 71 4.560 32.874 25.420 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.748 32.694 24.199 1.00 0.00 O ATOM 1098 OE2 GLU A 71 5.057 33.829 26.052 1.00 0.00 O ATOM 0 H GLU A 71 2.774 29.925 27.103 1.00 0.00 H new ATOM 0 HA GLU A 71 0.928 31.988 27.009 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.500 30.989 24.616 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.049 32.638 24.999 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.500 32.242 27.186 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.201 30.925 26.266 1.00 0.00 H new ATOM 1105 N LYS A 72 0.353 29.778 24.604 1.00 0.00 N ATOM 1106 CA LYS A 72 -0.688 29.225 23.742 1.00 0.00 C ATOM 1107 C LYS A 72 -0.913 27.751 24.058 1.00 0.00 C ATOM 1108 O LYS A 72 -0.718 26.887 23.203 1.00 0.00 O ATOM 1109 CB LYS A 72 -0.292 29.386 22.277 1.00 0.00 C ATOM 1110 CG LYS A 72 -1.511 29.663 21.402 1.00 0.00 C ATOM 1111 CD LYS A 72 -2.090 28.370 20.834 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.964 28.644 19.613 1.00 0.00 C ATOM 1113 NZ LYS A 72 -4.094 27.676 19.527 1.00 0.00 N ATOM 0 H LYS A 72 1.288 29.412 24.423 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.615 29.768 23.925 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.423 30.203 22.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.209 28.482 21.932 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.272 30.179 21.987 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.232 30.329 20.585 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.279 27.695 20.560 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.679 27.865 21.600 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.356 29.660 19.664 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.359 28.581 18.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.670 27.888 18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.718 26.709 19.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.684 27.754 20.380 1.00 0.00 H new ATOM 1127 N GLY A 73 -1.324 27.470 25.290 1.00 0.00 N ATOM 1128 CA GLY A 73 -1.576 26.098 25.717 1.00 0.00 C ATOM 1129 C GLY A 73 -2.642 26.057 26.804 1.00 0.00 C ATOM 1130 O GLY A 73 -3.831 26.217 26.527 1.00 0.00 O ATOM 0 H GLY A 73 -1.490 28.173 26.010 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.897 25.500 24.864 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.653 25.653 26.089 1.00 0.00 H new ATOM 1134 N MET A 74 -2.210 25.841 28.041 1.00 0.00 N ATOM 1135 CA MET A 74 -3.128 25.777 29.174 1.00 0.00 C ATOM 1136 C MET A 74 -2.359 25.518 30.462 1.00 0.00 C ATOM 1137 O MET A 74 -1.157 25.254 30.437 1.00 0.00 O ATOM 1138 CB MET A 74 -4.154 24.670 28.949 1.00 0.00 C ATOM 1139 CG MET A 74 -3.472 23.334 28.666 1.00 0.00 C ATOM 1140 SD MET A 74 -4.136 21.997 29.672 1.00 0.00 S ATOM 1141 CE MET A 74 -3.284 20.580 28.960 1.00 0.00 C ATOM 0 H MET A 74 -1.229 25.707 28.286 1.00 0.00 H new ATOM 0 HA MET A 74 -3.646 26.732 29.261 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.791 24.577 29.829 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.801 24.935 28.113 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.591 23.085 27.612 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.402 23.429 28.853 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.591 19.672 29.479 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.537 20.497 27.903 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.207 20.712 29.066 1.00 0.00 H new ATOM 1151 N LYS A 75 -3.058 25.594 31.590 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.436 25.368 32.890 1.00 0.00 C ATOM 1153 C LYS A 75 -2.440 23.883 33.230 1.00 0.00 C ATOM 1154 O LYS A 75 -2.895 23.056 32.441 1.00 0.00 O ATOM 1155 CB LYS A 75 -3.180 26.148 33.969 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.333 27.616 33.583 1.00 0.00 C ATOM 1157 CD LYS A 75 -4.784 27.950 33.255 1.00 0.00 C ATOM 1158 CE LYS A 75 -5.228 29.232 33.953 1.00 0.00 C ATOM 1159 NZ LYS A 75 -6.664 29.525 33.684 1.00 0.00 N ATOM 0 H LYS A 75 -4.054 25.810 31.630 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.404 25.715 32.846 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.164 25.707 34.127 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.641 26.072 34.913 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.987 28.248 34.401 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.702 27.836 32.722 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.899 28.062 32.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.428 27.125 33.561 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.069 29.138 35.027 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.614 30.066 33.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.937 30.402 34.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.809 29.638 32.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.250 28.739 34.032 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.928 23.553 34.411 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.866 22.167 34.864 1.00 0.00 C ATOM 1175 C ASN A 76 -1.075 22.073 36.162 1.00 0.00 C ATOM 1176 O ASN A 76 -0.211 22.905 36.432 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.212 21.296 33.793 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.260 20.459 33.069 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -3.420 20.404 33.478 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.851 19.805 31.988 1.00 0.00 N ATOM 0 H ASN A 76 -1.549 24.229 35.074 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.881 21.811 35.042 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.684 21.926 33.077 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.470 20.642 34.251 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.508 19.229 31.461 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.880 19.879 31.684 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.374 21.056 36.964 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.686 20.857 38.235 1.00 0.00 C ATOM 1189 C VAL A 77 0.354 19.753 38.107 1.00 0.00 C ATOM 1190 O VAL A 77 0.287 18.926 37.198 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.693 20.499 39.324 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.982 20.269 40.656 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.745 21.596 39.463 1.00 0.00 C ATOM 0 H VAL A 77 -2.088 20.357 36.757 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.181 21.784 38.507 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.195 19.575 39.037 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.716 20.015 41.421 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.269 19.451 40.551 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.453 21.177 40.948 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.454 21.323 40.244 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.259 22.535 39.727 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.274 21.714 38.518 1.00 0.00 H new ATOM 1203 N PHE A 78 1.317 19.745 39.022 1.00 0.00 N ATOM 1204 CA PHE A 78 2.375 18.741 39.013 1.00 0.00 C ATOM 1205 C PHE A 78 2.834 18.441 40.433 1.00 0.00 C ATOM 1206 O PHE A 78 3.254 19.338 41.163 1.00 0.00 O ATOM 1207 CB PHE A 78 3.553 19.234 38.179 1.00 0.00 C ATOM 1208 CG PHE A 78 3.131 19.800 36.848 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.706 18.953 35.837 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.166 21.168 36.634 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.317 19.474 34.615 1.00 0.00 C ATOM 1212 CE2 PHE A 78 2.777 21.689 35.412 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.352 20.842 34.402 1.00 0.00 C ATOM 0 H PHE A 78 1.387 20.423 39.780 1.00 0.00 H new ATOM 0 HA PHE A 78 1.983 17.825 38.572 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.094 19.998 38.738 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.246 18.409 38.014 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.678 17.886 36.003 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.497 21.829 37.421 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.986 18.813 33.827 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.805 22.756 35.246 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.048 21.248 33.449 1.00 0.00 H new ATOM 1223 N ASP A 79 2.753 17.173 40.818 1.00 0.00 N ATOM 1224 CA ASP A 79 3.161 16.751 42.154 1.00 0.00 C ATOM 1225 C ASP A 79 4.448 15.942 42.082 1.00 0.00 C ATOM 1226 O ASP A 79 4.750 15.327 41.059 1.00 0.00 O ATOM 1227 CB ASP A 79 2.057 15.918 42.797 1.00 0.00 C ATOM 1228 CG ASP A 79 1.378 16.710 43.906 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.077 17.132 44.852 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.147 16.909 43.828 1.00 0.00 O ATOM 0 H ASP A 79 2.409 16.418 40.224 1.00 0.00 H new ATOM 0 HA ASP A 79 3.338 17.638 42.763 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.323 15.630 42.044 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.476 14.997 43.202 1.00 0.00 H new ATOM 1235 N ASP A 80 5.205 15.946 43.174 1.00 0.00 N ATOM 1236 CA ASP A 80 6.464 15.212 43.236 1.00 0.00 C ATOM 1237 C ASP A 80 7.394 15.658 42.115 1.00 0.00 C ATOM 1238 O ASP A 80 7.900 14.835 41.353 1.00 0.00 O ATOM 1239 CB ASP A 80 6.198 13.714 43.124 1.00 0.00 C ATOM 1240 CG ASP A 80 5.780 13.150 44.476 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.671 12.760 45.259 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.562 13.100 44.749 1.00 0.00 O ATOM 0 H ASP A 80 4.969 16.450 44.029 1.00 0.00 H new ATOM 0 HA ASP A 80 6.943 15.421 44.192 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.415 13.531 42.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.094 13.204 42.771 1.00 0.00 H new ATOM 1247 N VAL A 81 7.616 16.965 42.021 1.00 0.00 N ATOM 1248 CA VAL A 81 8.489 17.520 40.990 1.00 0.00 C ATOM 1249 C VAL A 81 9.907 17.736 41.524 1.00 0.00 C ATOM 1250 O VAL A 81 10.756 18.287 40.827 1.00 0.00 O ATOM 1251 CB VAL A 81 7.914 18.840 40.480 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.820 19.446 39.412 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.507 18.631 39.928 1.00 0.00 C ATOM 0 H VAL A 81 7.205 17.660 42.645 1.00 0.00 H new ATOM 0 HA VAL A 81 8.543 16.807 40.168 1.00 0.00 H new ATOM 0 HB VAL A 81 7.859 19.535 41.318 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.392 20.386 39.062 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.807 19.632 39.835 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.909 18.754 38.575 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.112 19.581 39.569 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.542 17.918 39.104 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.861 18.244 40.716 1.00 0.00 H new ATOM 1263 N VAL A 82 10.167 17.294 42.756 1.00 0.00 N ATOM 1264 CA VAL A 82 11.490 17.438 43.360 1.00 0.00 C ATOM 1265 C VAL A 82 11.664 16.424 44.492 1.00 0.00 C ATOM 1266 O VAL A 82 10.829 16.344 45.393 1.00 0.00 O ATOM 1267 CB VAL A 82 11.678 18.857 43.903 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.012 18.980 44.641 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.605 19.882 42.777 1.00 0.00 C ATOM 0 H VAL A 82 9.479 16.834 43.353 1.00 0.00 H new ATOM 0 HA VAL A 82 12.242 17.252 42.593 1.00 0.00 H new ATOM 0 HB VAL A 82 10.870 19.058 44.607 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.126 19.996 45.019 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.033 18.278 45.475 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.829 18.754 43.956 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.741 20.883 43.187 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.389 19.678 42.048 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.632 19.819 42.290 1.00 0.00 H new ATOM 1279 N PRO A 83 12.755 15.638 44.465 1.00 0.00 N ATOM 1280 CA PRO A 83 13.032 14.633 45.499 1.00 0.00 C ATOM 1281 C PRO A 83 13.665 15.253 46.739 1.00 0.00 C ATOM 1282 O PRO A 83 14.221 16.350 46.679 1.00 0.00 O ATOM 1283 CB PRO A 83 14.010 13.681 44.827 1.00 0.00 C ATOM 1284 CG PRO A 83 14.695 14.487 43.767 1.00 0.00 C ATOM 1285 CD PRO A 83 13.805 15.661 43.434 1.00 0.00 C ATOM 0 HA PRO A 83 12.121 14.145 45.847 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.729 13.287 45.545 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.490 12.826 44.394 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.668 14.832 44.118 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.874 13.879 42.880 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.361 16.598 43.456 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.381 15.565 42.435 1.00 0.00 H new ATOM 1293 N GLU A 84 13.591 14.543 47.861 1.00 0.00 N ATOM 1294 CA GLU A 84 14.173 15.028 49.108 1.00 0.00 C ATOM 1295 C GLU A 84 15.650 15.330 48.899 1.00 0.00 C ATOM 1296 O GLU A 84 16.422 14.453 48.511 1.00 0.00 O ATOM 1297 CB GLU A 84 14.004 13.982 50.206 1.00 0.00 C ATOM 1298 CG GLU A 84 12.530 13.693 50.472 1.00 0.00 C ATOM 1299 CD GLU A 84 12.328 13.279 51.924 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.248 13.498 52.739 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.249 12.735 52.244 1.00 0.00 O ATOM 0 H GLU A 84 13.135 13.633 47.932 1.00 0.00 H new ATOM 0 HA GLU A 84 13.660 15.941 49.411 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.511 13.062 49.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.479 14.333 51.122 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.933 14.578 50.252 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.182 12.901 49.809 1.00 0.00 H new ATOM 1308 N LYS A 85 16.042 16.576 49.143 1.00 0.00 N ATOM 1309 CA LYS A 85 17.431 16.982 48.962 1.00 0.00 C ATOM 1310 C LYS A 85 17.826 16.802 47.500 1.00 0.00 C ATOM 1311 O LYS A 85 18.742 16.045 47.177 1.00 0.00 O ATOM 1312 CB LYS A 85 18.340 16.152 49.865 1.00 0.00 C ATOM 1313 CG LYS A 85 18.876 16.985 51.026 1.00 0.00 C ATOM 1314 CD LYS A 85 20.028 17.880 50.579 1.00 0.00 C ATOM 1315 CE LYS A 85 21.374 17.316 51.027 1.00 0.00 C ATOM 1316 NZ LYS A 85 21.512 17.356 52.510 1.00 0.00 N ATOM 0 H LYS A 85 15.421 17.319 49.465 1.00 0.00 H new ATOM 0 HA LYS A 85 17.540 18.032 49.233 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.788 15.296 50.253 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.173 15.757 49.283 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.074 17.598 51.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.214 16.325 51.825 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.015 17.978 49.493 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.895 18.880 50.991 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.474 16.288 50.678 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.181 17.888 50.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.520 17.399 52.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.025 18.197 52.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.088 16.500 52.921 1.00 0.00 H new ATOM 1330 N TYR A 86 17.112 17.496 46.618 1.00 0.00 N ATOM 1331 CA TYR A 86 17.360 17.419 45.179 1.00 0.00 C ATOM 1332 C TYR A 86 18.852 17.485 44.871 1.00 0.00 C ATOM 1333 O TYR A 86 19.641 18.002 45.662 1.00 0.00 O ATOM 1334 CB TYR A 86 16.632 18.558 44.467 1.00 0.00 C ATOM 1335 CG TYR A 86 17.251 19.909 44.730 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.921 20.613 45.875 1.00 0.00 C ATOM 1337 CD2 TYR A 86 18.153 20.445 43.826 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.492 21.851 46.115 1.00 0.00 C ATOM 1339 CE2 TYR A 86 18.723 21.683 44.068 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.390 22.380 45.211 1.00 0.00 C ATOM 1341 OH TYR A 86 18.957 23.610 45.451 1.00 0.00 O ATOM 0 H TYR A 86 16.350 18.123 46.876 1.00 0.00 H new ATOM 0 HA TYR A 86 16.982 16.462 44.819 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.632 18.367 43.394 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.590 18.573 44.788 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.218 20.196 46.581 1.00 0.00 H new ATOM 0 HD2 TYR A 86 18.412 19.897 42.932 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.235 22.402 47.008 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.427 22.102 43.364 1.00 0.00 H new ATOM 0 HH TYR A 86 18.484 24.295 44.934 1.00 0.00 H new ATOM 1351 N THR A 87 19.226 16.963 43.709 1.00 0.00 N ATOM 1352 CA THR A 87 20.618 16.960 43.274 1.00 0.00 C ATOM 1353 C THR A 87 20.701 17.382 41.814 1.00 0.00 C ATOM 1354 O THR A 87 20.317 16.629 40.919 1.00 0.00 O ATOM 1355 CB THR A 87 21.218 15.568 43.450 1.00 0.00 C ATOM 1356 OG1 THR A 87 21.106 15.161 44.805 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.681 15.547 43.017 1.00 0.00 C ATOM 0 H THR A 87 18.580 16.533 43.047 1.00 0.00 H new ATOM 0 HA THR A 87 21.183 17.666 43.883 1.00 0.00 H new ATOM 0 HB THR A 87 20.665 14.873 42.818 1.00 0.00 H new ATOM 0 HG1 THR A 87 21.492 14.266 44.911 1.00 0.00 H new ATOM 0 HG21 THR A 87 23.086 14.544 43.152 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.754 15.829 41.967 1.00 0.00 H new ATOM 0 HG23 THR A 87 23.250 16.253 43.623 1.00 0.00 H new ATOM 1365 N ILE A 88 21.197 18.593 41.575 1.00 0.00 N ATOM 1366 CA ILE A 88 21.319 19.116 40.218 1.00 0.00 C ATOM 1367 C ILE A 88 22.001 18.098 39.310 1.00 0.00 C ATOM 1368 O ILE A 88 23.229 18.037 39.240 1.00 0.00 O ATOM 1369 CB ILE A 88 22.107 20.425 40.226 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.387 21.477 41.065 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.322 20.941 38.805 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.162 21.791 42.341 1.00 0.00 C ATOM 0 H ILE A 88 21.521 19.230 42.303 1.00 0.00 H new ATOM 0 HA ILE A 88 20.318 19.308 39.831 1.00 0.00 H new ATOM 0 HB ILE A 88 23.083 20.229 40.671 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.260 22.388 40.480 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.389 21.121 41.321 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.885 21.874 38.838 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.878 20.201 38.230 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.356 21.117 38.332 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.624 22.544 42.918 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.266 20.884 42.936 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.151 22.170 42.082 1.00 0.00 H new ATOM 1384 N GLY A 89 21.196 17.301 38.616 1.00 0.00 N ATOM 1385 CA GLY A 89 21.720 16.286 37.708 1.00 0.00 C ATOM 1386 C GLY A 89 20.673 15.220 37.414 1.00 0.00 C ATOM 1387 O GLY A 89 20.958 14.024 37.480 1.00 0.00 O ATOM 0 H GLY A 89 20.178 17.338 38.665 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.037 16.756 36.777 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.603 15.822 38.147 1.00 0.00 H new ATOM 1391 N ALA A 90 19.458 15.653 37.086 1.00 0.00 N ATOM 1392 CA ALA A 90 18.375 14.724 36.779 1.00 0.00 C ATOM 1393 C ALA A 90 17.065 15.472 36.566 1.00 0.00 C ATOM 1394 O ALA A 90 16.928 16.631 36.959 1.00 0.00 O ATOM 1395 CB ALA A 90 18.216 13.717 37.914 1.00 0.00 C ATOM 0 H ALA A 90 19.200 16.638 37.026 1.00 0.00 H new ATOM 0 HA ALA A 90 18.626 14.196 35.859 1.00 0.00 H new ATOM 0 HB1 ALA A 90 17.406 13.027 37.678 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.144 13.158 38.037 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.985 14.245 38.839 1.00 0.00 H new ATOM 1401 N THR A 91 16.103 14.797 35.944 1.00 0.00 N ATOM 1402 CA THR A 91 14.795 15.387 35.677 1.00 0.00 C ATOM 1403 C THR A 91 13.809 14.984 36.766 1.00 0.00 C ATOM 1404 O THR A 91 13.825 13.848 37.241 1.00 0.00 O ATOM 1405 CB THR A 91 14.286 14.929 34.311 1.00 0.00 C ATOM 1406 OG1 THR A 91 15.164 15.381 33.292 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.873 15.448 34.050 1.00 0.00 C ATOM 0 H THR A 91 16.205 13.837 35.614 1.00 0.00 H new ATOM 0 HA THR A 91 14.889 16.473 35.673 1.00 0.00 H new ATOM 0 HB THR A 91 14.255 13.839 34.305 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.833 15.083 32.419 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.535 15.107 33.071 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.199 15.070 34.818 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.875 16.538 34.074 1.00 0.00 H new ATOM 1415 N TYR A 92 12.954 15.920 37.160 1.00 0.00 N ATOM 1416 CA TYR A 92 11.962 15.661 38.198 1.00 0.00 C ATOM 1417 C TYR A 92 10.611 16.239 37.799 1.00 0.00 C ATOM 1418 O TYR A 92 10.513 17.405 37.418 1.00 0.00 O ATOM 1419 CB TYR A 92 12.416 16.280 39.516 1.00 0.00 C ATOM 1420 CG TYR A 92 13.898 16.141 39.755 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.471 14.885 39.854 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.689 17.272 39.874 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.833 14.760 40.073 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.051 17.145 40.093 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.616 15.890 40.191 1.00 0.00 C ATOM 1426 OH TYR A 92 17.969 15.765 40.408 1.00 0.00 O ATOM 0 H TYR A 92 12.927 16.865 36.777 1.00 0.00 H new ATOM 0 HA TYR A 92 11.861 14.583 38.320 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.150 17.337 39.525 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.876 15.809 40.337 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.856 14.002 39.760 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.244 18.253 39.796 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.281 13.780 40.151 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.669 18.026 40.187 1.00 0.00 H new ATOM 0 HH TYR A 92 18.358 16.650 40.567 1.00 0.00 H new ATOM 1436 N ALA A 93 9.571 15.416 37.891 1.00 0.00 N ATOM 1437 CA ALA A 93 8.220 15.843 37.542 1.00 0.00 C ATOM 1438 C ALA A 93 7.253 14.665 37.624 1.00 0.00 C ATOM 1439 O ALA A 93 7.654 13.544 37.938 1.00 0.00 O ATOM 1440 CB ALA A 93 8.204 16.430 36.134 1.00 0.00 C ATOM 0 H ALA A 93 9.638 14.448 38.205 1.00 0.00 H new ATOM 0 HA ALA A 93 7.903 16.608 38.251 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.191 16.746 35.883 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.873 17.289 36.090 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.536 15.675 35.421 1.00 0.00 H new ATOM 1446 N PRO A 94 5.960 14.907 37.343 1.00 0.00 N ATOM 1447 CA PRO A 94 4.933 13.860 37.388 1.00 0.00 C ATOM 1448 C PRO A 94 4.956 12.980 36.143 1.00 0.00 C ATOM 1449 O PRO A 94 4.324 13.358 35.135 1.00 0.00 O ATOM 1450 CB PRO A 94 3.626 14.633 37.476 1.00 0.00 C ATOM 1451 CG PRO A 94 3.906 15.973 36.872 1.00 0.00 C ATOM 1452 CD PRO A 94 5.396 16.213 36.961 1.00 0.00 C ATOM 0 HA PRO A 94 5.086 13.177 38.224 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.830 14.119 36.937 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.298 14.731 38.511 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.575 16.002 35.834 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.360 16.753 37.402 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.800 16.556 36.009 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.631 16.978 37.701 1.00 0.00 H new TER 1460 PRO A 94