USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 87 THR OG1 : rot 180:sc=-0.00609 USER MOD Set 1.2: A 92 TYR OH : rot 80:sc= 0.193 USER MOD Set 2.1: A 74 MET CE :methyl -164:sc=-0.00754 (180deg=-0.228) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.0637 X(o=-0.071,f=-0.0075) USER MOD Set 3.1: A 13 ASN : amide:sc= -0.743 K(o=-4.1,f=-7.2) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -3.32! K(o=-4.1!,f=-3.1) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00505) USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.204 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -50:sc= 0.0233 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.14) USER MOD Single : A 23 TYR OH : rot -14:sc= 0.42 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 38 SER OG : rot -99:sc= -0.916 USER MOD Single : A 44 MET CE :methyl -130:sc= -6.34! (180deg=-12.6!) 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 -178:sc= -0.717 USER MOD Single : A 56 SER OG : rot -145:sc= 0.229 USER MOD Single : A 61 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= -4.29 K(o=-4.3,f=-6!) USER MOD Single : A 70 THR OG1 : rot -68:sc= -3.39! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 4.820 13.946 29.378 1.00 0.00 N ATOM 34 CA LYS A 3 6.068 13.551 30.017 1.00 0.00 C ATOM 35 C LYS A 3 7.109 14.663 29.922 1.00 0.00 C ATOM 36 O LYS A 3 7.920 14.688 28.996 1.00 0.00 O ATOM 37 CB LYS A 3 6.588 12.289 29.350 1.00 0.00 C ATOM 38 CG LYS A 3 5.481 11.250 29.200 1.00 0.00 C ATOM 39 CD LYS A 3 5.170 10.576 30.533 1.00 0.00 C ATOM 40 CE LYS A 3 3.916 9.712 30.438 1.00 0.00 C ATOM 41 NZ LYS A 3 2.681 10.545 30.473 1.00 0.00 N ATOM 0 HA LYS A 3 5.880 13.361 31.074 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.996 12.534 28.369 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.404 11.872 29.940 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.581 11.728 28.813 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.782 10.498 28.471 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.016 9.960 30.838 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.034 11.335 31.304 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.940 9.132 29.515 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.900 8.999 31.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.845 9.928 30.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.665 11.105 31.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.670 11.185 29.653 1.00 0.00 H new ATOM 55 N VAL A 4 7.082 15.580 30.885 1.00 0.00 N ATOM 56 CA VAL A 4 8.025 16.694 30.906 1.00 0.00 C ATOM 57 C VAL A 4 9.070 16.482 31.989 1.00 0.00 C ATOM 58 O VAL A 4 8.896 15.668 32.896 1.00 0.00 O ATOM 59 CB VAL A 4 7.273 18.010 31.135 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.260 17.857 32.266 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.225 19.172 31.427 1.00 0.00 C ATOM 0 H VAL A 4 6.419 15.574 31.660 1.00 0.00 H new ATOM 0 HA VAL A 4 8.535 16.744 29.944 1.00 0.00 H new ATOM 0 HB VAL A 4 6.743 18.245 30.212 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.735 18.801 32.415 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.541 17.079 32.008 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.779 17.582 33.184 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.649 20.084 31.583 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.804 18.951 32.324 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.901 19.309 30.583 1.00 0.00 H new ATOM 71 N THR A 5 10.154 17.233 31.880 1.00 0.00 N ATOM 72 CA THR A 5 11.248 17.155 32.842 1.00 0.00 C ATOM 73 C THR A 5 11.856 18.533 33.063 1.00 0.00 C ATOM 74 O THR A 5 12.197 19.234 32.109 1.00 0.00 O ATOM 75 CB THR A 5 12.318 16.190 32.345 1.00 0.00 C ATOM 76 OG1 THR A 5 12.910 16.689 31.155 1.00 0.00 O ATOM 77 CG2 THR A 5 11.727 14.806 32.094 1.00 0.00 C ATOM 0 H THR A 5 10.303 17.909 31.131 1.00 0.00 H new ATOM 0 HA THR A 5 10.852 16.788 33.789 1.00 0.00 H new ATOM 0 HB THR A 5 13.084 16.102 33.116 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.754 17.654 31.092 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.510 14.135 31.740 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.307 14.416 33.021 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.942 14.877 31.341 1.00 0.00 H new ATOM 85 N PHE A 6 11.991 18.917 34.327 1.00 0.00 N ATOM 86 CA PHE A 6 12.561 20.213 34.678 1.00 0.00 C ATOM 87 C PHE A 6 14.071 20.103 34.826 1.00 0.00 C ATOM 88 O PHE A 6 14.650 19.042 34.598 1.00 0.00 O ATOM 89 CB PHE A 6 11.945 20.717 35.979 1.00 0.00 C ATOM 90 CG PHE A 6 10.438 20.727 35.942 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.734 19.552 36.143 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.757 21.910 35.706 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.350 19.559 36.109 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.372 21.917 35.671 1.00 0.00 C ATOM 95 CZ PHE A 6 7.669 20.741 35.873 1.00 0.00 C ATOM 0 H PHE A 6 11.713 18.349 35.127 1.00 0.00 H new ATOM 0 HA PHE A 6 12.338 20.922 33.880 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.280 20.087 36.803 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.306 21.725 36.181 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.265 18.629 36.326 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.306 22.827 35.549 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.801 18.642 36.267 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.841 22.839 35.486 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.589 20.746 35.846 1.00 0.00 H new ATOM 105 N THR A 7 14.706 21.204 35.211 1.00 0.00 N ATOM 106 CA THR A 7 16.153 21.229 35.391 1.00 0.00 C ATOM 107 C THR A 7 16.565 22.481 36.149 1.00 0.00 C ATOM 108 O THR A 7 16.343 23.601 35.688 1.00 0.00 O ATOM 109 CB THR A 7 16.855 21.188 34.035 1.00 0.00 C ATOM 110 OG1 THR A 7 15.992 20.638 33.052 1.00 0.00 O ATOM 111 CG2 THR A 7 18.141 20.369 34.117 1.00 0.00 C ATOM 0 H THR A 7 14.242 22.091 35.405 1.00 0.00 H new ATOM 0 HA THR A 7 16.447 20.352 35.968 1.00 0.00 H new ATOM 0 HB THR A 7 17.112 22.209 33.752 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.452 20.618 32.187 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.625 20.353 33.140 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.813 20.819 34.848 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.904 19.350 34.422 1.00 0.00 H new ATOM 119 N VAL A 8 17.165 22.285 37.316 1.00 0.00 N ATOM 120 CA VAL A 8 17.609 23.399 38.145 1.00 0.00 C ATOM 121 C VAL A 8 18.765 24.129 37.476 1.00 0.00 C ATOM 122 O VAL A 8 19.927 23.754 37.636 1.00 0.00 O ATOM 123 CB VAL A 8 18.035 22.884 39.515 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.338 24.047 40.454 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.950 21.986 40.103 1.00 0.00 C ATOM 0 H VAL A 8 17.356 21.364 37.711 1.00 0.00 H new ATOM 0 HA VAL A 8 16.783 24.099 38.268 1.00 0.00 H new ATOM 0 HB VAL A 8 18.945 22.296 39.398 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.640 23.660 41.427 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.144 24.651 40.037 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.446 24.663 40.570 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.267 21.625 41.081 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.025 22.553 40.208 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.782 21.137 39.440 1.00 0.00 H new ATOM 135 N GLU A 9 18.439 25.174 36.722 1.00 0.00 N ATOM 136 CA GLU A 9 19.449 25.961 36.024 1.00 0.00 C ATOM 137 C GLU A 9 20.511 26.446 37.003 1.00 0.00 C ATOM 138 O GLU A 9 20.458 26.138 38.194 1.00 0.00 O ATOM 139 CB GLU A 9 18.794 27.151 35.329 1.00 0.00 C ATOM 140 CG GLU A 9 17.922 26.694 34.162 1.00 0.00 C ATOM 141 CD GLU A 9 18.501 27.194 32.845 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.565 26.688 32.432 1.00 0.00 O ATOM 143 OE2 GLU A 9 17.890 28.092 32.229 1.00 0.00 O ATOM 0 H GLU A 9 17.482 25.496 36.579 1.00 0.00 H new ATOM 0 HA GLU A 9 19.928 25.332 35.274 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.187 27.706 36.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.563 27.833 34.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.859 25.606 34.150 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.907 27.071 34.288 1.00 0.00 H new ATOM 150 N LYS A 10 21.476 27.205 36.495 1.00 0.00 N ATOM 151 CA LYS A 10 22.555 27.731 37.325 1.00 0.00 C ATOM 152 C LYS A 10 22.175 29.093 37.892 1.00 0.00 C ATOM 153 O LYS A 10 22.951 30.046 37.815 1.00 0.00 O ATOM 154 CB LYS A 10 23.834 27.848 36.502 1.00 0.00 C ATOM 155 CG LYS A 10 24.492 26.486 36.304 1.00 0.00 C ATOM 156 CD LYS A 10 24.558 26.115 34.825 1.00 0.00 C ATOM 157 CE LYS A 10 25.915 25.516 34.466 1.00 0.00 C ATOM 158 NZ LYS A 10 26.707 26.441 33.606 1.00 0.00 N ATOM 0 H LYS A 10 21.534 27.470 35.512 1.00 0.00 H new ATOM 0 HA LYS A 10 22.724 27.044 38.154 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.606 28.288 35.531 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.530 28.521 37.002 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.498 26.501 36.723 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.931 25.726 36.848 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.769 25.400 34.591 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.376 27.001 34.217 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.471 25.299 35.378 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.770 24.568 33.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.624 26.005 33.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.186 26.628 32.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.865 27.336 34.112 1.00 0.00 H new ATOM 172 N GLY A 11 20.977 29.180 38.461 1.00 0.00 N ATOM 173 CA GLY A 11 20.493 30.428 39.042 1.00 0.00 C ATOM 174 C GLY A 11 20.378 30.312 40.557 1.00 0.00 C ATOM 175 O GLY A 11 20.453 31.311 41.272 1.00 0.00 O ATOM 0 H GLY A 11 20.323 28.401 38.532 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.172 31.241 38.786 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.521 30.679 38.617 1.00 0.00 H new ATOM 179 N SER A 12 20.195 29.087 41.043 1.00 0.00 N ATOM 180 CA SER A 12 20.069 28.841 42.477 1.00 0.00 C ATOM 181 C SER A 12 21.217 29.499 43.232 1.00 0.00 C ATOM 182 O SER A 12 22.386 29.200 42.988 1.00 0.00 O ATOM 183 CB SER A 12 20.061 27.339 42.749 1.00 0.00 C ATOM 184 OG SER A 12 19.256 26.664 41.795 1.00 0.00 O ATOM 0 H SER A 12 20.131 28.249 40.465 1.00 0.00 H new ATOM 0 HA SER A 12 19.130 29.273 42.824 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.079 26.952 42.713 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.683 27.148 43.753 1.00 0.00 H new ATOM 0 HG SER A 12 18.383 27.104 41.734 1.00 0.00 H new ATOM 190 N ASN A 13 20.877 30.398 44.151 1.00 0.00 N ATOM 191 CA ASN A 13 21.883 31.104 44.945 1.00 0.00 C ATOM 192 C ASN A 13 21.774 30.710 46.414 1.00 0.00 C ATOM 193 O ASN A 13 22.530 29.865 46.895 1.00 0.00 O ATOM 194 CB ASN A 13 21.734 32.626 44.797 1.00 0.00 C ATOM 195 CG ASN A 13 20.288 33.022 44.503 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.600 33.580 45.358 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.828 32.730 43.292 1.00 0.00 N ATOM 0 H ASN A 13 19.914 30.656 44.366 1.00 0.00 H new ATOM 0 HA ASN A 13 22.866 30.817 44.572 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.067 33.116 45.712 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.380 32.979 43.993 1.00 0.00 H new ATOM 0 HD21 ASN A 13 18.869 32.969 43.039 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.434 32.267 42.614 1.00 0.00 H new ATOM 204 N GLU A 14 20.834 31.324 47.126 1.00 0.00 N ATOM 205 CA GLU A 14 20.635 31.032 48.543 1.00 0.00 C ATOM 206 C GLU A 14 19.364 30.216 48.744 1.00 0.00 C ATOM 207 O GLU A 14 19.414 28.991 48.857 1.00 0.00 O ATOM 208 CB GLU A 14 20.550 32.333 49.336 1.00 0.00 C ATOM 209 CG GLU A 14 21.817 32.566 50.153 1.00 0.00 C ATOM 210 CD GLU A 14 21.588 32.167 51.605 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.542 32.552 52.170 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.453 31.469 52.174 1.00 0.00 O ATOM 0 H GLU A 14 20.199 32.026 46.746 1.00 0.00 H new ATOM 0 HA GLU A 14 21.484 30.450 48.902 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.396 33.169 48.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.687 32.301 50.001 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.640 31.986 49.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.106 33.616 50.098 1.00 0.00 H new ATOM 219 N LYS A 15 18.226 30.901 48.790 1.00 0.00 N ATOM 220 CA LYS A 15 16.940 30.239 48.978 1.00 0.00 C ATOM 221 C LYS A 15 16.125 30.292 47.693 1.00 0.00 C ATOM 222 O LYS A 15 14.895 30.289 47.725 1.00 0.00 O ATOM 223 CB LYS A 15 16.170 30.910 50.111 1.00 0.00 C ATOM 224 CG LYS A 15 16.171 32.428 49.957 1.00 0.00 C ATOM 225 CD LYS A 15 17.218 33.076 50.859 1.00 0.00 C ATOM 226 CE LYS A 15 16.561 33.852 51.997 1.00 0.00 C ATOM 227 NZ LYS A 15 17.523 34.103 53.107 1.00 0.00 N ATOM 0 H LYS A 15 18.168 31.915 48.700 1.00 0.00 H new ATOM 0 HA LYS A 15 17.118 29.195 49.237 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.143 30.544 50.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.616 30.639 51.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.371 32.690 48.918 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.184 32.821 50.201 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.874 32.308 51.270 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.843 33.748 50.271 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.181 34.802 51.621 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.705 33.293 52.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.047 34.632 53.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.866 33.195 53.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.328 34.657 52.750 1.00 0.00 H new ATOM 241 N HIS A 16 16.820 30.342 46.562 1.00 0.00 N ATOM 242 CA HIS A 16 16.164 30.397 45.260 1.00 0.00 C ATOM 243 C HIS A 16 16.239 29.040 44.572 1.00 0.00 C ATOM 244 O HIS A 16 16.983 28.158 45.000 1.00 0.00 O ATOM 245 CB HIS A 16 16.824 31.463 44.389 1.00 0.00 C ATOM 246 CG HIS A 16 16.531 32.856 44.854 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.722 33.275 46.146 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.056 33.947 44.199 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.388 34.537 46.286 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.974 34.984 45.111 1.00 0.00 N ATOM 0 H HIS A 16 17.839 30.346 46.520 1.00 0.00 H new ATOM 0 HA HIS A 16 15.115 30.656 45.406 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.903 31.306 44.385 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.481 31.349 43.361 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.790 33.996 43.153 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.442 35.110 47.200 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.650 35.931 44.912 1.00 0.00 H new ATOM 258 N LEU A 17 15.464 28.878 43.505 1.00 0.00 N ATOM 259 CA LEU A 17 15.440 27.625 42.758 1.00 0.00 C ATOM 260 C LEU A 17 15.023 27.874 41.314 1.00 0.00 C ATOM 261 O LEU A 17 13.840 27.817 40.982 1.00 0.00 O ATOM 262 CB LEU A 17 14.471 26.648 43.418 1.00 0.00 C ATOM 263 CG LEU A 17 14.659 25.231 42.887 1.00 0.00 C ATOM 264 CD1 LEU A 17 16.115 24.793 43.025 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.736 24.260 43.617 1.00 0.00 C ATOM 0 H LEU A 17 14.843 29.599 43.137 1.00 0.00 H new ATOM 0 HA LEU A 17 16.442 27.196 42.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.623 26.656 44.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.446 26.972 43.238 1.00 0.00 H new ATOM 0 HG LEU A 17 14.399 25.224 41.829 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.228 23.779 42.641 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.754 25.470 42.458 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.404 24.817 44.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.884 23.254 43.225 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.965 24.272 44.683 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.699 24.560 43.465 1.00 0.00 H new ATOM 277 N ALA A 18 16.003 28.153 40.460 1.00 0.00 N ATOM 278 CA ALA A 18 15.738 28.414 39.048 1.00 0.00 C ATOM 279 C ALA A 18 15.578 27.104 38.285 1.00 0.00 C ATOM 280 O ALA A 18 16.546 26.371 38.082 1.00 0.00 O ATOM 281 CB ALA A 18 16.879 29.229 38.447 1.00 0.00 C ATOM 0 H ALA A 18 16.988 28.204 40.720 1.00 0.00 H new ATOM 0 HA ALA A 18 14.811 28.981 38.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.674 29.420 37.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.967 30.177 38.977 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.812 28.673 38.540 1.00 0.00 H new ATOM 287 N VAL A 19 14.351 26.817 37.862 1.00 0.00 N ATOM 288 CA VAL A 19 14.061 25.594 37.118 1.00 0.00 C ATOM 289 C VAL A 19 13.889 25.901 35.635 1.00 0.00 C ATOM 290 O VAL A 19 13.309 26.922 35.267 1.00 0.00 O ATOM 291 CB VAL A 19 12.794 24.941 37.665 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.938 24.657 39.158 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.577 25.825 37.403 1.00 0.00 C ATOM 0 H VAL A 19 13.540 27.415 38.021 1.00 0.00 H new ATOM 0 HA VAL A 19 14.898 24.906 37.237 1.00 0.00 H new ATOM 0 HB VAL A 19 12.647 23.993 37.147 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.025 24.192 39.530 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.780 23.985 39.321 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.112 25.592 39.691 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.684 25.342 37.800 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.716 26.789 37.892 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.461 25.976 36.330 1.00 0.00 H new ATOM 303 N LEU A 20 14.395 25.012 34.788 1.00 0.00 N ATOM 304 CA LEU A 20 14.297 25.189 33.343 1.00 0.00 C ATOM 305 C LEU A 20 13.025 24.541 32.808 1.00 0.00 C ATOM 306 O LEU A 20 13.052 23.409 32.323 1.00 0.00 O ATOM 307 CB LEU A 20 15.516 24.576 32.661 1.00 0.00 C ATOM 308 CG LEU A 20 16.000 25.450 31.508 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.183 24.797 30.800 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.863 25.711 30.523 1.00 0.00 C ATOM 0 H LEU A 20 14.878 24.161 35.077 1.00 0.00 H new ATOM 0 HA LEU A 20 14.261 26.257 33.126 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.318 24.451 33.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.266 23.583 32.288 1.00 0.00 H new ATOM 0 HG LEU A 20 16.330 26.406 31.915 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.514 25.435 29.981 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.001 24.661 31.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.880 23.827 30.405 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.225 26.336 29.707 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.504 24.763 30.122 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.047 26.221 31.036 1.00 0.00 H new ATOM 322 N VAL A 21 11.913 25.264 32.895 1.00 0.00 N ATOM 323 CA VAL A 21 10.631 24.756 32.415 1.00 0.00 C ATOM 324 C VAL A 21 10.540 24.894 30.900 1.00 0.00 C ATOM 325 O VAL A 21 10.089 25.917 30.385 1.00 0.00 O ATOM 326 CB VAL A 21 9.484 25.514 33.080 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.150 24.835 32.782 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.710 25.612 34.586 1.00 0.00 C ATOM 0 H VAL A 21 11.873 26.202 33.293 1.00 0.00 H new ATOM 0 HA VAL A 21 10.555 23.700 32.675 1.00 0.00 H new ATOM 0 HB VAL A 21 9.455 26.524 32.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.344 25.389 33.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.984 24.816 31.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.168 23.814 33.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.883 26.155 35.043 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.766 24.610 35.012 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.643 26.141 34.780 1.00 0.00 H new ATOM 338 N LYS A 22 10.972 23.855 30.194 1.00 0.00 N ATOM 339 CA LYS A 22 10.946 23.846 28.735 1.00 0.00 C ATOM 340 C LYS A 22 11.590 22.570 28.212 1.00 0.00 C ATOM 341 O LYS A 22 12.385 21.938 28.908 1.00 0.00 O ATOM 342 CB LYS A 22 11.686 25.064 28.189 1.00 0.00 C ATOM 343 CG LYS A 22 10.903 25.725 27.057 1.00 0.00 C ATOM 344 CD LYS A 22 11.478 25.352 25.694 1.00 0.00 C ATOM 345 CE LYS A 22 11.681 26.588 24.822 1.00 0.00 C ATOM 346 NZ LYS A 22 12.792 26.390 23.848 1.00 0.00 N ATOM 0 H LYS A 22 11.347 23.003 30.611 1.00 0.00 H new ATOM 0 HA LYS A 22 9.909 23.884 28.401 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.848 25.784 28.991 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.669 24.763 27.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.858 25.420 27.109 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.926 26.808 27.180 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.430 24.837 25.827 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.806 24.656 25.192 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.759 26.811 24.285 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.898 27.449 25.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.807 27.181 23.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.698 26.353 24.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.648 25.498 23.333 1.00 0.00 H new ATOM 360 N TYR A 23 11.244 22.189 26.987 1.00 0.00 N ATOM 361 CA TYR A 23 11.795 20.977 26.384 1.00 0.00 C ATOM 362 C TYR A 23 12.674 21.326 25.191 1.00 0.00 C ATOM 363 O TYR A 23 13.886 21.108 25.222 1.00 0.00 O ATOM 364 CB TYR A 23 10.686 20.016 25.936 1.00 0.00 C ATOM 365 CG TYR A 23 9.318 20.351 26.473 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.080 20.344 27.836 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.299 20.664 25.597 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.819 20.652 28.319 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.043 20.971 26.078 1.00 0.00 C ATOM 370 CZ TYR A 23 6.805 20.965 27.437 1.00 0.00 C ATOM 371 OH TYR A 23 5.552 21.272 27.915 1.00 0.00 O ATOM 0 H TYR A 23 10.588 22.697 26.394 1.00 0.00 H new ATOM 0 HA TYR A 23 12.395 20.480 27.146 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.644 20.011 24.847 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.949 19.006 26.250 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.877 20.099 28.523 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.485 20.669 24.533 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.630 20.647 29.382 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.246 21.216 25.391 1.00 0.00 H new ATOM 0 HH TYR A 23 5.488 21.009 28.857 1.00 0.00 H new ATOM 381 N GLU A 24 12.064 21.857 24.133 1.00 0.00 N ATOM 382 CA GLU A 24 12.814 22.215 22.933 1.00 0.00 C ATOM 383 C GLU A 24 12.134 23.337 22.153 1.00 0.00 C ATOM 384 O GLU A 24 12.690 24.426 22.011 1.00 0.00 O ATOM 385 CB GLU A 24 12.967 20.988 22.039 1.00 0.00 C ATOM 386 CG GLU A 24 13.869 21.284 20.845 1.00 0.00 C ATOM 387 CD GLU A 24 14.706 20.059 20.499 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.749 19.847 21.153 1.00 0.00 O ATOM 389 OE2 GLU A 24 14.318 19.314 19.574 1.00 0.00 O ATOM 0 H GLU A 24 11.063 22.047 24.083 1.00 0.00 H new ATOM 0 HA GLU A 24 13.794 22.574 23.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.384 20.163 22.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.987 20.667 21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.264 21.574 19.986 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.522 22.126 21.074 1.00 0.00 H new ATOM 396 N GLY A 25 10.945 23.061 21.620 1.00 0.00 N ATOM 397 CA GLY A 25 10.220 24.050 20.823 1.00 0.00 C ATOM 398 C GLY A 25 9.028 24.642 21.568 1.00 0.00 C ATOM 399 O GLY A 25 8.631 25.776 21.300 1.00 0.00 O ATOM 0 H GLY A 25 10.465 22.167 21.724 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.901 24.852 20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.873 23.584 19.901 1.00 0.00 H new ATOM 403 N ASP A 26 8.444 23.878 22.492 1.00 0.00 N ATOM 404 CA ASP A 26 7.284 24.343 23.256 1.00 0.00 C ATOM 405 C ASP A 26 7.452 25.795 23.696 1.00 0.00 C ATOM 406 O ASP A 26 8.571 26.276 23.870 1.00 0.00 O ATOM 407 CB ASP A 26 7.082 23.451 24.471 1.00 0.00 C ATOM 408 CG ASP A 26 5.636 23.522 24.943 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.743 23.735 24.097 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.399 23.362 26.159 1.00 0.00 O ATOM 0 H ASP A 26 8.754 22.936 22.730 1.00 0.00 H new ATOM 0 HA ASP A 26 6.407 24.289 22.611 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.341 22.422 24.222 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.750 23.762 25.274 1.00 0.00 H new ATOM 415 N THR A 27 6.330 26.490 23.862 1.00 0.00 N ATOM 416 CA THR A 27 6.347 27.891 24.269 1.00 0.00 C ATOM 417 C THR A 27 6.048 28.024 25.757 1.00 0.00 C ATOM 418 O THR A 27 5.930 27.028 26.470 1.00 0.00 O ATOM 419 CB THR A 27 5.317 28.675 23.461 1.00 0.00 C ATOM 420 OG1 THR A 27 4.947 27.939 22.305 1.00 0.00 O ATOM 421 CG2 THR A 27 5.868 30.039 23.057 1.00 0.00 C ATOM 0 H THR A 27 5.396 26.105 23.721 1.00 0.00 H new ATOM 0 HA THR A 27 7.341 28.295 24.080 1.00 0.00 H new ATOM 0 HB THR A 27 4.437 28.832 24.085 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.284 28.447 21.792 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.116 30.579 22.482 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.120 30.609 23.951 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.762 29.904 22.449 1.00 0.00 H new ATOM 429 N MET A 28 5.929 29.266 26.216 1.00 0.00 N ATOM 430 CA MET A 28 5.646 29.547 27.620 1.00 0.00 C ATOM 431 C MET A 28 4.385 30.387 27.747 1.00 0.00 C ATOM 432 O MET A 28 4.269 31.445 27.129 1.00 0.00 O ATOM 433 CB MET A 28 6.819 30.288 28.242 1.00 0.00 C ATOM 434 CG MET A 28 8.093 29.450 28.193 1.00 0.00 C ATOM 435 SD MET A 28 9.468 30.237 29.047 1.00 0.00 S ATOM 436 CE MET A 28 10.377 30.933 27.659 1.00 0.00 C ATOM 0 H MET A 28 6.025 30.098 25.633 1.00 0.00 H new ATOM 0 HA MET A 28 5.494 28.603 28.143 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.979 31.228 27.714 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.586 30.539 29.277 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.901 28.475 28.642 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.368 29.273 27.153 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.260 31.455 28.027 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.683 30.132 26.986 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.739 31.635 27.121 1.00 0.00 H new ATOM 446 N ALA A 29 3.441 29.909 28.547 1.00 0.00 N ATOM 447 CA ALA A 29 2.180 30.612 28.753 1.00 0.00 C ATOM 448 C ALA A 29 2.012 30.988 30.219 1.00 0.00 C ATOM 449 O ALA A 29 1.901 32.166 30.560 1.00 0.00 O ATOM 450 CB ALA A 29 1.023 29.725 28.310 1.00 0.00 C ATOM 0 H ALA A 29 3.524 29.035 29.066 1.00 0.00 H new ATOM 0 HA ALA A 29 2.186 31.526 28.159 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.081 30.251 28.464 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.134 29.483 27.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.025 28.805 28.895 1.00 0.00 H new ATOM 456 N GLU A 30 1.993 29.979 31.081 1.00 0.00 N ATOM 457 CA GLU A 30 1.837 30.197 32.515 1.00 0.00 C ATOM 458 C GLU A 30 2.458 29.044 33.290 1.00 0.00 C ATOM 459 O GLU A 30 2.600 27.939 32.766 1.00 0.00 O ATOM 460 CB GLU A 30 0.358 30.324 32.866 1.00 0.00 C ATOM 461 CG GLU A 30 0.150 31.252 34.059 1.00 0.00 C ATOM 462 CD GLU A 30 -0.751 32.417 33.671 1.00 0.00 C ATOM 463 OE1 GLU A 30 -1.988 32.265 33.749 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.218 33.481 33.289 1.00 0.00 O ATOM 0 H GLU A 30 2.084 28.999 30.812 1.00 0.00 H new ATOM 0 HA GLU A 30 2.347 31.121 32.788 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.191 30.706 32.005 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.050 29.339 33.093 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.295 30.699 34.886 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.112 31.628 34.408 1.00 0.00 H new ATOM 471 N VAL A 31 2.831 29.304 34.538 1.00 0.00 N ATOM 472 CA VAL A 31 3.441 28.279 35.379 1.00 0.00 C ATOM 473 C VAL A 31 3.630 28.803 36.796 1.00 0.00 C ATOM 474 O VAL A 31 3.969 29.967 37.009 1.00 0.00 O ATOM 475 CB VAL A 31 4.775 27.811 34.757 1.00 0.00 C ATOM 476 CG1 VAL A 31 5.521 28.981 34.123 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.675 27.103 35.776 1.00 0.00 C ATOM 0 H VAL A 31 2.723 30.212 34.989 1.00 0.00 H new ATOM 0 HA VAL A 31 2.779 27.415 35.435 1.00 0.00 H new ATOM 0 HB VAL A 31 4.522 27.088 33.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.457 28.625 33.692 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.906 29.423 33.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.734 29.732 34.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.600 26.793 35.291 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.905 27.785 36.594 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.160 26.226 36.169 1.00 0.00 H new ATOM 487 N GLU A 32 3.393 27.921 37.760 1.00 0.00 N ATOM 488 CA GLU A 32 3.515 28.261 39.167 1.00 0.00 C ATOM 489 C GLU A 32 4.127 27.096 39.935 1.00 0.00 C ATOM 490 O GLU A 32 4.271 25.996 39.400 1.00 0.00 O ATOM 491 CB GLU A 32 2.136 28.594 39.720 1.00 0.00 C ATOM 492 CG GLU A 32 1.182 27.413 39.575 1.00 0.00 C ATOM 493 CD GLU A 32 0.462 27.480 38.234 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.067 27.092 37.213 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.707 27.919 38.208 1.00 0.00 O ATOM 0 H GLU A 32 3.112 26.956 37.587 1.00 0.00 H new ATOM 0 HA GLU A 32 4.168 29.127 39.279 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.220 28.870 40.771 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.730 29.459 39.195 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.736 26.477 39.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.455 27.421 40.387 1.00 0.00 H new ATOM 502 N LEU A 33 4.496 27.342 41.187 1.00 0.00 N ATOM 503 CA LEU A 33 5.104 26.310 42.019 1.00 0.00 C ATOM 504 C LEU A 33 4.234 25.999 43.230 1.00 0.00 C ATOM 505 O LEU A 33 3.225 26.660 43.476 1.00 0.00 O ATOM 506 CB LEU A 33 6.481 26.771 42.482 1.00 0.00 C ATOM 507 CG LEU A 33 7.584 26.007 41.767 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.902 26.773 41.841 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.742 24.612 42.363 1.00 0.00 C ATOM 0 H LEU A 33 4.385 28.245 41.648 1.00 0.00 H new ATOM 0 HA LEU A 33 5.199 25.402 41.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.593 27.839 42.293 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.573 26.626 43.558 1.00 0.00 H new ATOM 0 HG LEU A 33 7.305 25.904 40.718 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.679 26.210 41.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.783 27.748 41.368 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.186 26.909 42.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.536 24.080 41.839 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.997 24.694 43.420 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.806 24.063 42.257 1.00 0.00 H new ATOM 521 N ARG A 34 4.647 24.988 43.986 1.00 0.00 N ATOM 522 CA ARG A 34 3.932 24.569 45.186 1.00 0.00 C ATOM 523 C ARG A 34 4.854 23.727 46.059 1.00 0.00 C ATOM 524 O ARG A 34 6.028 23.546 45.737 1.00 0.00 O ATOM 525 CB ARG A 34 2.690 23.763 44.809 1.00 0.00 C ATOM 526 CG ARG A 34 1.424 24.615 44.886 1.00 0.00 C ATOM 527 CD ARG A 34 1.268 25.257 46.262 1.00 0.00 C ATOM 528 NE ARG A 34 1.735 26.639 46.230 1.00 0.00 N ATOM 529 CZ ARG A 34 2.028 27.304 47.342 1.00 0.00 C ATOM 530 NH1 ARG A 34 1.075 27.946 48.004 1.00 0.00 N ATOM 531 NH2 ARG A 34 3.274 27.328 47.794 1.00 0.00 N ATOM 0 H ARG A 34 5.482 24.438 43.786 1.00 0.00 H new ATOM 0 HA ARG A 34 3.617 25.453 45.740 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.804 23.369 43.799 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.594 22.907 45.476 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.459 25.392 44.122 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.553 23.996 44.671 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.223 25.226 46.569 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.835 24.691 47.002 1.00 0.00 H new ATOM 0 HE ARG A 34 1.839 27.107 45.330 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.115 27.930 47.660 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.302 28.456 48.858 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.010 26.835 47.288 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.497 27.839 48.648 1.00 0.00 H new ATOM 545 N GLU A 35 4.323 23.212 47.162 1.00 0.00 N ATOM 546 CA GLU A 35 5.113 22.389 48.070 1.00 0.00 C ATOM 547 C GLU A 35 4.380 21.093 48.386 1.00 0.00 C ATOM 548 O GLU A 35 4.780 20.018 47.940 1.00 0.00 O ATOM 549 CB GLU A 35 5.397 23.155 49.359 1.00 0.00 C ATOM 550 CG GLU A 35 6.088 24.484 49.070 1.00 0.00 C ATOM 551 CD GLU A 35 6.469 25.173 50.374 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.575 24.906 50.887 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.659 25.979 50.880 1.00 0.00 O ATOM 0 H GLU A 35 3.354 23.349 47.448 1.00 0.00 H new ATOM 0 HA GLU A 35 6.058 22.146 47.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.463 23.336 49.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.025 22.550 50.014 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.979 24.315 48.466 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.427 25.128 48.490 1.00 0.00 H new ATOM 560 N HIS A 36 3.305 21.202 49.157 1.00 0.00 N ATOM 561 CA HIS A 36 2.513 20.039 49.534 1.00 0.00 C ATOM 562 C HIS A 36 1.324 20.462 50.388 1.00 0.00 C ATOM 563 O HIS A 36 0.186 20.079 50.117 1.00 0.00 O ATOM 564 CB HIS A 36 3.383 19.049 50.303 1.00 0.00 C ATOM 565 CG HIS A 36 2.760 17.693 50.417 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.804 17.380 51.348 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.950 16.548 49.712 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.425 16.129 51.232 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.107 15.585 50.237 1.00 0.00 N ATOM 0 H HIS A 36 2.962 22.086 49.534 1.00 0.00 H new ATOM 0 HA HIS A 36 2.139 19.559 48.630 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.349 18.959 49.806 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.574 19.441 51.302 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.636 16.413 48.889 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.686 15.631 51.842 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.025 14.621 49.913 1.00 0.00 H new ATOM 577 N GLY A 37 1.594 21.256 51.419 1.00 0.00 N ATOM 578 CA GLY A 37 0.546 21.735 52.313 1.00 0.00 C ATOM 579 C GLY A 37 0.500 23.257 52.323 1.00 0.00 C ATOM 580 O GLY A 37 0.058 23.868 53.297 1.00 0.00 O ATOM 0 H GLY A 37 2.531 21.582 51.656 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.419 21.339 51.995 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.725 21.365 53.323 1.00 0.00 H new ATOM 584 N SER A 38 0.958 23.867 51.234 1.00 0.00 N ATOM 585 CA SER A 38 0.968 25.322 51.116 1.00 0.00 C ATOM 586 C SER A 38 -0.451 25.857 50.958 1.00 0.00 C ATOM 587 O SER A 38 -0.717 27.024 51.244 1.00 0.00 O ATOM 588 CB SER A 38 1.813 25.742 49.918 1.00 0.00 C ATOM 589 OG SER A 38 2.996 24.962 49.844 1.00 0.00 O ATOM 0 H SER A 38 1.327 23.376 50.420 1.00 0.00 H new ATOM 0 HA SER A 38 1.400 25.739 52.026 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.236 25.626 49.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.071 26.798 50.000 1.00 0.00 H new ATOM 0 HG SER A 38 3.744 25.465 50.228 1.00 0.00 H new ATOM 595 N ASP A 39 -1.361 25.001 50.497 1.00 0.00 N ATOM 596 CA ASP A 39 -2.753 25.391 50.297 1.00 0.00 C ATOM 597 C ASP A 39 -2.875 26.318 49.096 1.00 0.00 C ATOM 598 O ASP A 39 -2.651 27.524 49.205 1.00 0.00 O ATOM 599 CB ASP A 39 -3.293 26.085 51.546 1.00 0.00 C ATOM 600 CG ASP A 39 -4.778 25.791 51.712 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.251 24.780 51.152 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.465 26.573 52.402 1.00 0.00 O ATOM 0 H ASP A 39 -1.158 24.031 50.255 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.340 24.492 50.110 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.747 25.743 52.425 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.134 27.161 51.470 1.00 0.00 H new ATOM 607 N GLU A 40 -3.231 25.748 47.947 1.00 0.00 N ATOM 608 CA GLU A 40 -3.386 26.516 46.712 1.00 0.00 C ATOM 609 C GLU A 40 -2.024 26.846 46.118 1.00 0.00 C ATOM 610 O GLU A 40 -1.051 27.055 46.843 1.00 0.00 O ATOM 611 CB GLU A 40 -4.164 27.805 46.975 1.00 0.00 C ATOM 612 CG GLU A 40 -5.321 27.962 45.993 1.00 0.00 C ATOM 613 CD GLU A 40 -6.197 29.142 46.393 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.823 29.870 47.337 1.00 0.00 O ATOM 615 OE2 GLU A 40 -7.257 29.338 45.762 1.00 0.00 O ATOM 0 H GLU A 40 -3.419 24.751 47.845 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.945 25.908 46.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.548 27.799 47.995 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.494 28.661 46.891 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.934 28.113 44.985 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.916 27.049 45.972 1.00 0.00 H new ATOM 622 N TRP A 41 -1.963 26.888 44.792 1.00 0.00 N ATOM 623 CA TRP A 41 -0.723 27.188 44.088 1.00 0.00 C ATOM 624 C TRP A 41 -0.463 28.690 44.079 1.00 0.00 C ATOM 625 O TRP A 41 -1.375 29.489 44.289 1.00 0.00 O ATOM 626 CB TRP A 41 -0.807 26.669 42.658 1.00 0.00 C ATOM 627 CG TRP A 41 -1.137 25.210 42.593 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.346 24.628 42.859 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.240 24.140 42.238 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.231 23.277 42.684 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.966 22.945 42.306 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.104 24.080 41.868 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.392 21.717 42.020 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.686 22.854 41.580 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.944 21.683 41.654 1.00 0.00 C ATOM 0 H TRP A 41 -2.762 26.717 44.181 1.00 0.00 H new ATOM 0 HA TRP A 41 0.101 26.696 44.605 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.565 27.234 42.115 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.144 26.845 42.155 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.243 25.150 43.158 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.990 22.609 42.818 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.690 24.985 41.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.972 20.808 42.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.727 22.810 41.295 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.412 20.737 41.424 1.00 0.00 H new ATOM 646 N VAL A 42 0.788 29.065 43.830 1.00 0.00 N ATOM 647 CA VAL A 42 1.175 30.472 43.788 1.00 0.00 C ATOM 648 C VAL A 42 2.004 30.752 42.541 1.00 0.00 C ATOM 649 O VAL A 42 3.048 30.134 42.328 1.00 0.00 O ATOM 650 CB VAL A 42 1.976 30.832 45.036 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.121 30.661 46.288 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.238 29.978 45.127 1.00 0.00 C ATOM 0 H VAL A 42 1.553 28.413 43.654 1.00 0.00 H new ATOM 0 HA VAL A 42 0.273 31.083 43.757 1.00 0.00 H new ATOM 0 HB VAL A 42 2.274 31.878 44.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.708 30.922 47.168 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.250 31.314 46.226 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.792 29.625 46.365 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.797 30.249 46.023 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.962 28.925 45.176 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.858 30.150 44.247 1.00 0.00 H new ATOM 662 N ALA A 43 1.534 31.686 41.719 1.00 0.00 N ATOM 663 CA ALA A 43 2.230 32.052 40.485 1.00 0.00 C ATOM 664 C ALA A 43 3.720 32.250 40.742 1.00 0.00 C ATOM 665 O ALA A 43 4.111 32.959 41.669 1.00 0.00 O ATOM 666 CB ALA A 43 1.630 33.332 39.911 1.00 0.00 C ATOM 0 H ALA A 43 0.672 32.206 41.884 1.00 0.00 H new ATOM 0 HA ALA A 43 2.108 31.241 39.767 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.153 33.599 38.993 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.574 33.173 39.694 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.734 34.140 40.636 1.00 0.00 H new ATOM 672 N MET A 44 4.546 31.617 39.916 1.00 0.00 N ATOM 673 CA MET A 44 5.995 31.721 40.054 1.00 0.00 C ATOM 674 C MET A 44 6.431 33.176 39.945 1.00 0.00 C ATOM 675 O MET A 44 5.604 34.086 39.995 1.00 0.00 O ATOM 676 CB MET A 44 6.682 30.887 38.976 1.00 0.00 C ATOM 677 CG MET A 44 7.428 29.704 39.587 1.00 0.00 C ATOM 678 SD MET A 44 9.113 30.125 40.060 1.00 0.00 S ATOM 679 CE MET A 44 9.955 28.567 39.739 1.00 0.00 C ATOM 0 H MET A 44 4.237 31.026 39.144 1.00 0.00 H new ATOM 0 HA MET A 44 6.283 31.341 41.034 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.940 30.524 38.265 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.380 31.512 38.418 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.885 29.349 40.463 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.449 28.882 38.871 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.546 28.287 40.611 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.218 27.790 39.536 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.611 28.679 38.876 1.00 0.00 H new ATOM 689 N THR A 45 7.733 33.389 39.796 1.00 0.00 N ATOM 690 CA THR A 45 8.278 34.738 39.681 1.00 0.00 C ATOM 691 C THR A 45 9.334 34.793 38.586 1.00 0.00 C ATOM 692 O THR A 45 10.288 34.015 38.591 1.00 0.00 O ATOM 693 CB THR A 45 8.887 35.170 41.012 1.00 0.00 C ATOM 694 OG1 THR A 45 7.923 35.056 42.047 1.00 0.00 O ATOM 695 CG2 THR A 45 9.401 36.604 40.932 1.00 0.00 C ATOM 0 H THR A 45 8.431 32.646 39.752 1.00 0.00 H new ATOM 0 HA THR A 45 7.468 35.419 39.420 1.00 0.00 H new ATOM 0 HB THR A 45 9.729 34.515 41.234 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.322 35.334 42.898 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.831 36.891 41.892 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.164 36.674 40.157 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.576 37.273 40.690 1.00 0.00 H new ATOM 703 N LYS A 46 9.162 35.721 37.650 1.00 0.00 N ATOM 704 CA LYS A 46 10.105 35.882 36.550 1.00 0.00 C ATOM 705 C LYS A 46 11.314 36.682 37.014 1.00 0.00 C ATOM 706 O LYS A 46 11.532 37.810 36.573 1.00 0.00 O ATOM 707 CB LYS A 46 9.429 36.591 35.380 1.00 0.00 C ATOM 708 CG LYS A 46 8.827 37.924 35.815 1.00 0.00 C ATOM 709 CD LYS A 46 9.379 39.079 34.985 1.00 0.00 C ATOM 710 CE LYS A 46 8.919 38.984 33.533 1.00 0.00 C ATOM 711 NZ LYS A 46 9.948 39.527 32.603 1.00 0.00 N ATOM 0 H LYS A 46 8.378 36.373 37.632 1.00 0.00 H new ATOM 0 HA LYS A 46 10.436 34.897 36.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.155 36.759 34.585 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.647 35.953 34.968 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.742 37.886 35.713 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.042 38.096 36.870 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.051 40.027 35.412 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.468 39.071 35.025 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.712 37.944 33.282 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.986 39.534 33.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.607 39.449 31.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.127 40.526 32.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.830 38.985 32.707 1.00 0.00 H new ATOM 725 N GLY A 47 12.097 36.091 37.911 1.00 0.00 N ATOM 726 CA GLY A 47 13.285 36.750 38.442 1.00 0.00 C ATOM 727 C GLY A 47 14.531 36.301 37.692 1.00 0.00 C ATOM 728 O GLY A 47 15.450 37.089 37.468 1.00 0.00 O ATOM 0 H GLY A 47 11.930 35.157 38.285 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.175 37.831 38.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.391 36.521 39.502 1.00 0.00 H new ATOM 732 N GLU A 48 14.556 35.032 37.305 1.00 0.00 N ATOM 733 CA GLU A 48 15.689 34.475 36.577 1.00 0.00 C ATOM 734 C GLU A 48 15.607 34.848 35.103 1.00 0.00 C ATOM 735 O GLU A 48 14.549 34.739 34.483 1.00 0.00 O ATOM 736 CB GLU A 48 15.709 32.959 36.731 1.00 0.00 C ATOM 737 CG GLU A 48 17.082 32.391 36.386 1.00 0.00 C ATOM 738 CD GLU A 48 18.132 32.939 37.344 1.00 0.00 C ATOM 739 OE1 GLU A 48 17.759 33.358 38.460 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.326 32.949 36.977 1.00 0.00 O ATOM 0 H GLU A 48 13.803 34.368 37.484 1.00 0.00 H new ATOM 0 HA GLU A 48 16.609 34.888 36.990 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.448 32.691 37.755 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.954 32.514 36.082 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.059 31.303 36.444 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.344 32.650 35.360 1.00 0.00 H new ATOM 747 N GLY A 49 16.729 35.294 34.546 1.00 0.00 N ATOM 748 CA GLY A 49 16.784 35.689 33.143 1.00 0.00 C ATOM 749 C GLY A 49 16.894 34.470 32.236 1.00 0.00 C ATOM 750 O GLY A 49 17.994 34.041 31.889 1.00 0.00 O ATOM 0 H GLY A 49 17.613 35.391 35.046 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.890 36.258 32.887 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.638 36.346 32.980 1.00 0.00 H new ATOM 754 N GLY A 50 15.747 33.919 31.849 1.00 0.00 N ATOM 755 CA GLY A 50 15.717 32.751 30.975 1.00 0.00 C ATOM 756 C GLY A 50 14.816 31.662 31.543 1.00 0.00 C ATOM 757 O GLY A 50 14.321 30.808 30.806 1.00 0.00 O ATOM 0 H GLY A 50 14.827 34.262 32.127 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.362 33.042 29.987 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.727 32.362 30.849 1.00 0.00 H new ATOM 761 N VAL A 51 14.607 31.689 32.856 1.00 0.00 N ATOM 762 CA VAL A 51 13.766 30.694 33.515 1.00 0.00 C ATOM 763 C VAL A 51 13.033 31.309 34.700 1.00 0.00 C ATOM 764 O VAL A 51 13.114 32.514 34.938 1.00 0.00 O ATOM 765 CB VAL A 51 14.621 29.522 33.984 1.00 0.00 C ATOM 766 CG1 VAL A 51 15.141 28.730 32.789 1.00 0.00 C ATOM 767 CG2 VAL A 51 15.779 30.014 34.846 1.00 0.00 C ATOM 0 H VAL A 51 15.007 32.387 33.483 1.00 0.00 H new ATOM 0 HA VAL A 51 13.026 30.337 32.799 1.00 0.00 H new ATOM 0 HB VAL A 51 13.999 28.863 34.590 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.749 27.897 33.141 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.299 28.346 32.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.747 29.380 32.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.378 29.163 35.171 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.401 30.695 34.265 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.387 30.536 35.719 1.00 0.00 H new ATOM 777 N TRP A 52 12.307 30.471 35.432 1.00 0.00 N ATOM 778 CA TRP A 52 11.543 30.921 36.592 1.00 0.00 C ATOM 779 C TRP A 52 12.259 30.541 37.881 1.00 0.00 C ATOM 780 O TRP A 52 12.891 29.488 37.965 1.00 0.00 O ATOM 781 CB TRP A 52 10.156 30.290 36.551 1.00 0.00 C ATOM 782 CG TRP A 52 9.565 30.326 35.177 1.00 0.00 C ATOM 783 CD1 TRP A 52 8.959 29.297 34.518 1.00 0.00 C ATOM 784 CD2 TRP A 52 9.544 31.454 34.281 1.00 0.00 C ATOM 785 NE1 TRP A 52 8.558 29.739 33.287 1.00 0.00 N ATOM 786 CE2 TRP A 52 8.898 31.045 33.109 1.00 0.00 C ATOM 787 CE3 TRP A 52 10.004 32.771 34.361 1.00 0.00 C ATOM 788 CZ2 TRP A 52 8.705 31.902 32.038 1.00 0.00 C ATOM 789 CZ3 TRP A 52 9.815 33.634 33.291 1.00 0.00 C ATOM 790 CH2 TRP A 52 9.170 33.201 32.139 1.00 0.00 C ATOM 0 H TRP A 52 12.231 29.472 35.242 1.00 0.00 H new ATOM 0 HA TRP A 52 11.450 32.007 36.564 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.217 29.257 36.892 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.498 30.816 37.243 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.819 28.298 34.904 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.071 29.168 32.597 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.505 33.116 35.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.203 31.564 31.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.172 34.651 33.354 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.030 33.885 31.315 1.00 0.00 H new ATOM 801 N THR A 53 12.160 31.407 38.885 1.00 0.00 N ATOM 802 CA THR A 53 12.803 31.166 40.172 1.00 0.00 C ATOM 803 C THR A 53 11.827 31.423 41.314 1.00 0.00 C ATOM 804 O THR A 53 10.985 32.318 41.235 1.00 0.00 O ATOM 805 CB THR A 53 14.022 32.071 40.321 1.00 0.00 C ATOM 806 OG1 THR A 53 13.940 33.151 39.404 1.00 0.00 O ATOM 807 CG2 THR A 53 15.311 31.287 40.092 1.00 0.00 C ATOM 0 H THR A 53 11.640 32.283 38.832 1.00 0.00 H new ATOM 0 HA THR A 53 13.120 30.124 40.212 1.00 0.00 H new ATOM 0 HB THR A 53 14.036 32.464 41.337 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.741 33.710 39.485 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.167 31.953 40.203 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.381 30.481 40.822 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.307 30.866 39.086 1.00 0.00 H new ATOM 815 N PHE A 54 11.950 30.635 42.377 1.00 0.00 N ATOM 816 CA PHE A 54 11.084 30.776 43.544 1.00 0.00 C ATOM 817 C PHE A 54 11.919 31.069 44.784 1.00 0.00 C ATOM 818 O PHE A 54 12.966 30.458 44.997 1.00 0.00 O ATOM 819 CB PHE A 54 10.273 29.500 43.752 1.00 0.00 C ATOM 820 CG PHE A 54 9.195 29.655 44.796 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.166 30.561 44.601 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.235 28.892 45.951 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.177 30.704 45.560 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.246 29.035 46.910 1.00 0.00 C ATOM 825 CZ PHE A 54 7.217 29.941 46.715 1.00 0.00 C ATOM 0 H PHE A 54 12.642 29.890 42.455 1.00 0.00 H new ATOM 0 HA PHE A 54 10.399 31.607 43.375 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.817 29.207 42.806 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.944 28.693 44.046 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.135 31.156 43.701 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.037 28.185 46.104 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.375 31.411 45.407 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.277 28.440 47.810 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.446 30.052 47.463 1.00 0.00 H new ATOM 835 N ASP A 55 11.455 32.012 45.598 1.00 0.00 N ATOM 836 CA ASP A 55 12.166 32.390 46.816 1.00 0.00 C ATOM 837 C ASP A 55 11.359 32.012 48.052 1.00 0.00 C ATOM 838 O ASP A 55 10.137 31.877 47.993 1.00 0.00 O ATOM 839 CB ASP A 55 12.437 33.892 46.812 1.00 0.00 C ATOM 840 CG ASP A 55 13.737 34.198 47.547 1.00 0.00 C ATOM 841 OD1 ASP A 55 14.377 33.248 48.047 1.00 0.00 O ATOM 842 OD2 ASP A 55 14.112 35.386 47.621 1.00 0.00 O ATOM 0 H ASP A 55 10.590 32.529 45.437 1.00 0.00 H new ATOM 0 HA ASP A 55 13.113 31.851 46.845 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.498 34.255 45.786 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.610 34.419 47.288 1.00 0.00 H new ATOM 847 N SER A 56 12.054 31.844 49.174 1.00 0.00 N ATOM 848 CA SER A 56 11.410 31.482 50.433 1.00 0.00 C ATOM 849 C SER A 56 12.430 31.470 51.565 1.00 0.00 C ATOM 850 O SER A 56 13.630 31.615 51.332 1.00 0.00 O ATOM 851 CB SER A 56 10.757 30.109 50.305 1.00 0.00 C ATOM 852 OG SER A 56 9.353 30.205 50.493 1.00 0.00 O ATOM 0 H SER A 56 13.066 31.953 49.237 1.00 0.00 H new ATOM 0 HA SER A 56 10.644 32.223 50.661 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.970 29.689 49.322 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.182 29.428 51.042 1.00 0.00 H new ATOM 0 HG SER A 56 9.027 29.398 50.943 1.00 0.00 H new ATOM 858 N GLU A 57 11.948 31.297 52.792 1.00 0.00 N ATOM 859 CA GLU A 57 12.821 31.267 53.962 1.00 0.00 C ATOM 860 C GLU A 57 12.171 30.474 55.089 1.00 0.00 C ATOM 861 O GLU A 57 12.393 30.755 56.267 1.00 0.00 O ATOM 862 CB GLU A 57 13.114 32.690 54.431 1.00 0.00 C ATOM 863 CG GLU A 57 14.414 32.755 55.228 1.00 0.00 C ATOM 864 CD GLU A 57 14.117 32.788 56.721 1.00 0.00 C ATOM 865 OE1 GLU A 57 13.174 33.500 57.126 1.00 0.00 O ATOM 866 OE2 GLU A 57 14.829 32.102 57.485 1.00 0.00 O ATOM 0 H GLU A 57 10.957 31.175 53.002 1.00 0.00 H new ATOM 0 HA GLU A 57 13.757 30.781 53.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.180 33.353 53.568 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.289 33.049 55.047 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.036 31.891 54.993 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.979 33.642 54.943 1.00 0.00 H new ATOM 873 N GLU A 58 11.367 29.483 54.719 1.00 0.00 N ATOM 874 CA GLU A 58 10.680 28.645 55.697 1.00 0.00 C ATOM 875 C GLU A 58 11.651 27.651 56.323 1.00 0.00 C ATOM 876 O GLU A 58 12.687 27.331 55.739 1.00 0.00 O ATOM 877 CB GLU A 58 9.534 27.898 55.023 1.00 0.00 C ATOM 878 CG GLU A 58 10.055 26.917 53.977 1.00 0.00 C ATOM 879 CD GLU A 58 9.291 27.086 52.670 1.00 0.00 C ATOM 880 OE1 GLU A 58 8.098 26.719 52.626 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.887 27.586 51.693 1.00 0.00 O ATOM 0 H GLU A 58 11.174 29.240 53.747 1.00 0.00 H new ATOM 0 HA GLU A 58 10.280 29.283 56.485 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.956 27.360 55.774 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.858 28.612 54.552 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.119 27.084 53.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.947 25.895 54.340 1.00 0.00 H new ATOM 888 N PRO A 59 11.327 27.145 57.527 1.00 0.00 N ATOM 889 CA PRO A 59 12.177 26.176 58.236 1.00 0.00 C ATOM 890 C PRO A 59 12.156 24.805 57.573 1.00 0.00 C ATOM 891 O PRO A 59 13.160 24.093 57.564 1.00 0.00 O ATOM 892 CB PRO A 59 11.568 26.108 59.630 1.00 0.00 C ATOM 893 CG PRO A 59 10.145 26.511 59.456 1.00 0.00 C ATOM 894 CD PRO A 59 10.111 27.469 58.294 1.00 0.00 C ATOM 0 HA PRO A 59 13.224 26.478 58.238 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.644 25.103 60.044 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.085 26.777 60.318 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.517 25.642 59.261 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.762 26.984 60.360 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.212 27.334 57.692 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.116 28.505 58.631 1.00 0.00 H new ATOM 902 N LEU A 60 11.004 24.440 57.020 1.00 0.00 N ATOM 903 CA LEU A 60 10.846 23.153 56.354 1.00 0.00 C ATOM 904 C LEU A 60 11.394 23.220 54.936 1.00 0.00 C ATOM 905 O LEU A 60 11.669 24.301 54.416 1.00 0.00 O ATOM 906 CB LEU A 60 9.373 22.762 56.324 1.00 0.00 C ATOM 907 CG LEU A 60 8.744 22.869 57.711 1.00 0.00 C ATOM 908 CD1 LEU A 60 7.257 23.193 57.599 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.953 21.575 58.492 1.00 0.00 C ATOM 0 H LEU A 60 10.164 25.019 57.020 1.00 0.00 H new ATOM 0 HA LEU A 60 11.405 22.400 56.910 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.837 23.407 55.628 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.273 21.742 55.954 1.00 0.00 H new ATOM 0 HG LEU A 60 9.233 23.680 58.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.824 23.266 58.597 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.130 24.142 57.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.753 22.403 57.042 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.499 21.668 59.478 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.489 20.747 57.955 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.021 21.384 58.601 1.00 0.00 H new ATOM 921 N GLN A 61 11.551 22.057 54.312 1.00 0.00 N ATOM 922 CA GLN A 61 12.068 21.982 52.950 1.00 0.00 C ATOM 923 C GLN A 61 11.971 20.557 52.421 1.00 0.00 C ATOM 924 O GLN A 61 12.676 19.662 52.887 1.00 0.00 O ATOM 925 CB GLN A 61 13.519 22.453 52.919 1.00 0.00 C ATOM 926 CG GLN A 61 13.997 22.680 51.488 1.00 0.00 C ATOM 927 CD GLN A 61 15.136 23.692 51.468 1.00 0.00 C ATOM 928 OE1 GLN A 61 15.245 24.537 52.356 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.985 23.607 50.450 1.00 0.00 N ATOM 0 H GLN A 61 11.327 21.153 54.728 1.00 0.00 H new ATOM 0 HA GLN A 61 11.468 22.631 52.312 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.616 23.378 53.488 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.155 21.712 53.404 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.331 21.737 51.054 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.171 23.039 50.874 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.855 22.890 49.736 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.767 24.259 50.382 1.00 0.00 H new ATOM 938 N GLY A 62 11.094 20.353 51.443 1.00 0.00 N ATOM 939 CA GLY A 62 10.902 19.035 50.846 1.00 0.00 C ATOM 940 C GLY A 62 10.836 19.139 49.326 1.00 0.00 C ATOM 941 O GLY A 62 11.542 19.947 48.721 1.00 0.00 O ATOM 0 H GLY A 62 10.504 21.084 51.046 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.720 18.376 51.136 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.983 18.588 51.226 1.00 0.00 H new ATOM 945 N PRO A 63 9.983 18.321 48.686 1.00 0.00 N ATOM 946 CA PRO A 63 9.827 18.328 47.225 1.00 0.00 C ATOM 947 C PRO A 63 8.985 19.506 46.749 1.00 0.00 C ATOM 948 O PRO A 63 8.402 20.229 47.556 1.00 0.00 O ATOM 949 CB PRO A 63 9.132 17.008 46.924 1.00 0.00 C ATOM 950 CG PRO A 63 8.404 16.640 48.178 1.00 0.00 C ATOM 951 CD PRO A 63 9.103 17.329 49.328 1.00 0.00 C ATOM 0 HA PRO A 63 10.783 18.433 46.712 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.442 17.111 46.086 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.854 16.239 46.650 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.361 16.951 48.121 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.407 15.559 48.320 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.388 17.807 49.997 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.675 16.620 49.927 1.00 0.00 H new ATOM 959 N PHE A 64 8.925 19.697 45.434 1.00 0.00 N ATOM 960 CA PHE A 64 8.152 20.792 44.858 1.00 0.00 C ATOM 961 C PHE A 64 7.140 20.260 43.855 1.00 0.00 C ATOM 962 O PHE A 64 7.144 19.075 43.520 1.00 0.00 O ATOM 963 CB PHE A 64 9.084 21.789 44.173 1.00 0.00 C ATOM 964 CG PHE A 64 9.938 22.563 45.146 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.445 23.714 45.738 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.217 22.124 45.447 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.231 24.425 46.631 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.002 22.835 46.340 1.00 0.00 C ATOM 969 CZ PHE A 64 11.509 23.985 46.932 1.00 0.00 C ATOM 0 H PHE A 64 9.401 19.109 44.749 1.00 0.00 H new ATOM 0 HA PHE A 64 7.617 21.297 45.662 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.730 21.254 43.477 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.490 22.488 43.584 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.448 24.057 45.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.602 21.227 44.985 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.847 25.323 47.092 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.999 22.492 46.574 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.121 24.539 47.628 1.00 0.00 H new ATOM 979 N ASN A 65 6.274 21.146 43.381 1.00 0.00 N ATOM 980 CA ASN A 65 5.249 20.776 42.414 1.00 0.00 C ATOM 981 C ASN A 65 4.982 21.934 41.463 1.00 0.00 C ATOM 982 O ASN A 65 5.031 23.099 41.859 1.00 0.00 O ATOM 983 CB ASN A 65 3.964 20.393 43.141 1.00 0.00 C ATOM 984 CG ASN A 65 4.260 19.373 44.233 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.050 18.174 44.049 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.748 19.850 45.372 1.00 0.00 N ATOM 0 H ASN A 65 6.261 22.129 43.652 1.00 0.00 H new ATOM 0 HA ASN A 65 5.601 19.921 41.837 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.506 21.281 43.577 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.246 19.980 42.432 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.965 19.214 46.140 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.906 20.852 45.479 1.00 0.00 H new ATOM 993 N PHE A 66 4.699 21.609 40.206 1.00 0.00 N ATOM 994 CA PHE A 66 4.423 22.625 39.196 1.00 0.00 C ATOM 995 C PHE A 66 3.099 22.338 38.499 1.00 0.00 C ATOM 996 O PHE A 66 2.395 21.388 38.841 1.00 0.00 O ATOM 997 CB PHE A 66 5.543 22.655 38.161 1.00 0.00 C ATOM 998 CG PHE A 66 6.807 23.309 38.662 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.625 22.642 39.559 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.158 24.574 38.217 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.791 23.237 40.010 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.324 25.169 38.668 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.140 24.501 39.564 1.00 0.00 C ATOM 0 H PHE A 66 4.655 20.650 39.862 1.00 0.00 H new ATOM 0 HA PHE A 66 4.362 23.593 39.693 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.769 21.634 37.852 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.195 23.186 37.275 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.353 21.656 39.907 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.521 25.096 37.518 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.428 22.716 40.709 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.597 26.155 38.320 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.049 24.965 39.916 1.00 0.00 H new ATOM 1013 N ARG A 67 2.772 23.169 37.514 1.00 0.00 N ATOM 1014 CA ARG A 67 1.538 23.023 36.747 1.00 0.00 C ATOM 1015 C ARG A 67 1.412 24.167 35.750 1.00 0.00 C ATOM 1016 O ARG A 67 0.602 25.076 35.933 1.00 0.00 O ATOM 1017 CB ARG A 67 0.336 23.020 37.684 1.00 0.00 C ATOM 1018 CG ARG A 67 0.277 24.303 38.505 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.072 24.998 38.353 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.157 24.063 38.633 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.419 24.467 38.749 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.703 25.760 38.839 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.400 23.576 38.775 1.00 0.00 N ATOM 0 H ARG A 67 3.350 23.958 37.226 1.00 0.00 H new ATOM 0 HA ARG A 67 1.567 22.077 36.206 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.581 22.913 37.104 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.393 22.160 38.351 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.453 24.073 39.556 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.073 24.977 38.188 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.130 25.847 39.034 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.174 25.392 37.342 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.942 23.072 38.743 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.952 26.450 38.819 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.673 26.064 38.928 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.187 22.581 38.706 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.368 23.886 38.864 1.00 0.00 H new ATOM 1037 N PHE A 68 2.228 24.126 34.702 1.00 0.00 N ATOM 1038 CA PHE A 68 2.219 25.170 33.682 1.00 0.00 C ATOM 1039 C PHE A 68 0.964 25.109 32.830 1.00 0.00 C ATOM 1040 O PHE A 68 0.089 24.268 33.036 1.00 0.00 O ATOM 1041 CB PHE A 68 3.455 25.058 32.787 1.00 0.00 C ATOM 1042 CG PHE A 68 3.621 23.711 32.104 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.680 22.697 32.263 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.734 23.490 31.308 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.856 21.479 31.627 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.907 22.271 30.674 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.970 21.266 30.834 1.00 0.00 C ATOM 0 H PHE A 68 2.905 23.381 34.536 1.00 0.00 H new ATOM 0 HA PHE A 68 2.234 26.129 34.200 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.406 25.834 32.023 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.342 25.258 33.388 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.811 22.860 32.883 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.469 24.271 31.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.123 20.695 31.750 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.775 22.105 30.053 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.108 20.315 30.340 1.00 0.00 H new ATOM 1057 N LEU A 69 0.896 26.016 31.866 1.00 0.00 N ATOM 1058 CA LEU A 69 -0.236 26.101 30.952 1.00 0.00 C ATOM 1059 C LEU A 69 0.261 26.515 29.575 1.00 0.00 C ATOM 1060 O LEU A 69 -0.276 27.442 28.970 1.00 0.00 O ATOM 1061 CB LEU A 69 -1.254 27.118 31.466 1.00 0.00 C ATOM 1062 CG LEU A 69 -1.413 27.035 32.983 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -2.187 28.242 33.506 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -2.116 25.739 33.377 1.00 0.00 C ATOM 0 H LEU A 69 1.621 26.712 31.695 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.720 25.127 30.887 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.938 28.123 31.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.218 26.943 30.988 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.421 27.040 33.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.291 28.166 34.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.648 29.156 33.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.176 28.267 33.047 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.221 25.697 34.461 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.103 25.706 32.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.527 24.887 33.036 1.00 0.00 H new ATOM 1076 N THR A 70 1.307 25.817 29.108 1.00 0.00 N ATOM 1077 CA THR A 70 1.954 26.067 27.806 1.00 0.00 C ATOM 1078 C THR A 70 1.038 26.782 26.815 1.00 0.00 C ATOM 1079 O THR A 70 -0.146 26.463 26.704 1.00 0.00 O ATOM 1080 CB THR A 70 2.416 24.742 27.210 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.328 23.834 27.153 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.553 24.144 28.034 1.00 0.00 C ATOM 0 H THR A 70 1.735 25.052 29.629 1.00 0.00 H new ATOM 0 HA THR A 70 2.803 26.726 27.988 1.00 0.00 H new ATOM 0 HB THR A 70 2.784 24.927 26.201 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.070 23.575 28.062 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.866 23.199 27.590 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.395 24.836 28.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.210 23.970 29.054 1.00 0.00 H new ATOM 1090 N GLU A 71 1.600 27.754 26.102 1.00 0.00 N ATOM 1091 CA GLU A 71 0.845 28.525 25.121 1.00 0.00 C ATOM 1092 C GLU A 71 0.168 27.598 24.119 1.00 0.00 C ATOM 1093 O GLU A 71 -0.846 27.955 23.518 1.00 0.00 O ATOM 1094 CB GLU A 71 1.775 29.490 24.389 1.00 0.00 C ATOM 1095 CG GLU A 71 2.594 30.326 25.369 1.00 0.00 C ATOM 1096 CD GLU A 71 2.145 31.781 25.323 1.00 0.00 C ATOM 1097 OE1 GLU A 71 0.933 32.025 25.147 1.00 0.00 O ATOM 1098 OE2 GLU A 71 3.006 32.675 25.463 1.00 0.00 O ATOM 0 H GLU A 71 2.579 28.027 26.186 1.00 0.00 H new ATOM 0 HA GLU A 71 0.076 29.094 25.644 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.446 28.928 23.739 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.188 30.149 23.749 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.477 29.934 26.379 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.653 30.257 25.121 1.00 0.00 H new ATOM 1105 N LYS A 72 0.732 26.408 23.940 1.00 0.00 N ATOM 1106 CA LYS A 72 0.178 25.434 23.006 1.00 0.00 C ATOM 1107 C LYS A 72 0.745 24.047 23.281 1.00 0.00 C ATOM 1108 O LYS A 72 1.198 23.358 22.368 1.00 0.00 O ATOM 1109 CB LYS A 72 0.497 25.854 21.574 1.00 0.00 C ATOM 1110 CG LYS A 72 -0.752 25.821 20.700 1.00 0.00 C ATOM 1111 CD LYS A 72 -1.198 24.387 20.430 1.00 0.00 C ATOM 1112 CE LYS A 72 -0.426 23.780 19.263 1.00 0.00 C ATOM 1113 NZ LYS A 72 -0.995 24.209 17.954 1.00 0.00 N ATOM 0 H LYS A 72 1.571 26.095 24.428 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.903 25.397 23.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.919 26.859 21.572 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.254 25.190 21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.557 26.369 21.190 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.552 26.326 19.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.046 23.782 21.324 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.266 24.370 20.211 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.621 24.079 19.322 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.452 22.693 19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.448 23.780 17.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.987 23.902 17.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.948 25.245 17.878 1.00 0.00 H new ATOM 1127 N GLY A 73 0.716 23.641 24.546 1.00 0.00 N ATOM 1128 CA GLY A 73 1.226 22.333 24.943 1.00 0.00 C ATOM 1129 C GLY A 73 0.189 21.577 25.764 1.00 0.00 C ATOM 1130 O GLY A 73 -0.813 21.103 25.229 1.00 0.00 O ATOM 0 H GLY A 73 0.344 24.199 25.315 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.487 21.755 24.057 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.140 22.455 25.525 1.00 0.00 H new ATOM 1134 N MET A 74 0.436 21.469 27.065 1.00 0.00 N ATOM 1135 CA MET A 74 -0.478 20.770 27.963 1.00 0.00 C ATOM 1136 C MET A 74 -0.616 21.532 29.275 1.00 0.00 C ATOM 1137 O MET A 74 0.116 22.489 29.529 1.00 0.00 O ATOM 1138 CB MET A 74 0.035 19.358 28.234 1.00 0.00 C ATOM 1139 CG MET A 74 -0.324 18.410 27.093 1.00 0.00 C ATOM 1140 SD MET A 74 -2.075 17.994 27.070 1.00 0.00 S ATOM 1141 CE MET A 74 -2.183 16.885 28.484 1.00 0.00 C ATOM 0 H MET A 74 1.262 21.856 27.522 1.00 0.00 H new ATOM 0 HA MET A 74 -1.457 20.709 27.487 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.117 19.380 28.364 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.391 18.987 29.166 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.050 18.869 26.143 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.262 17.496 27.186 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.117 16.326 28.437 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.343 16.190 28.467 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.154 17.466 29.405 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.556 21.098 30.109 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.790 21.737 31.400 1.00 0.00 C ATOM 1153 C LYS A 75 -2.022 20.684 32.477 1.00 0.00 C ATOM 1154 O LYS A 75 -3.158 20.315 32.769 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.985 22.685 31.315 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.173 22.039 30.606 1.00 0.00 C ATOM 1157 CD LYS A 75 -5.209 21.551 31.610 1.00 0.00 C ATOM 1158 CE LYS A 75 -6.597 22.094 31.285 1.00 0.00 C ATOM 1159 NZ LYS A 75 -7.623 21.013 31.310 1.00 0.00 N ATOM 0 H LYS A 75 -2.168 20.306 29.914 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.907 22.317 31.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.282 22.987 32.320 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.693 23.591 30.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.630 22.758 29.927 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.828 21.202 29.999 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.234 20.461 31.609 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.920 21.863 32.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.864 22.868 32.004 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.585 22.563 30.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.556 21.414 31.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.380 20.287 30.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.651 20.582 32.256 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.932 20.203 33.065 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.008 19.190 34.112 1.00 0.00 C ATOM 1175 C ASN A 76 0.023 19.474 35.196 1.00 0.00 C ATOM 1176 O ASN A 76 1.150 19.872 34.904 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.765 17.807 33.517 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.091 17.120 33.219 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.440 16.897 32.059 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -2.833 16.783 34.268 1.00 0.00 N ATOM 0 H ASN A 76 0.016 20.499 32.834 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.003 19.219 34.556 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.179 17.895 32.602 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.182 17.202 34.211 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.731 16.320 34.130 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.504 16.987 35.212 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.368 19.268 36.450 1.00 0.00 N ATOM 1188 CA VAL A 77 0.519 19.502 37.574 1.00 0.00 C ATOM 1189 C VAL A 77 1.674 18.506 37.554 1.00 0.00 C ATOM 1190 O VAL A 77 1.761 17.663 36.662 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.269 19.380 38.874 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.468 20.324 38.863 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -0.725 17.941 39.102 1.00 0.00 C ATOM 0 H VAL A 77 -1.298 18.938 36.709 1.00 0.00 H new ATOM 0 HA VAL A 77 0.936 20.507 37.501 1.00 0.00 H new ATOM 0 HB VAL A 77 0.388 19.663 39.696 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.019 20.224 39.798 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.121 21.352 38.755 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.122 20.072 38.028 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.285 17.880 40.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.362 17.626 38.276 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.146 17.288 39.158 1.00 0.00 H new ATOM 1203 N PHE A 78 2.560 18.610 38.539 1.00 0.00 N ATOM 1204 CA PHE A 78 3.711 17.716 38.626 1.00 0.00 C ATOM 1205 C PHE A 78 4.111 17.496 40.079 1.00 0.00 C ATOM 1206 O PHE A 78 4.171 18.439 40.867 1.00 0.00 O ATOM 1207 CB PHE A 78 4.880 18.306 37.845 1.00 0.00 C ATOM 1208 CG PHE A 78 4.514 18.633 36.420 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.400 17.618 35.485 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.285 19.947 36.046 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.058 17.915 34.178 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.944 20.245 34.737 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.830 19.228 33.803 1.00 0.00 C ATOM 0 H PHE A 78 2.504 19.302 39.286 1.00 0.00 H new ATOM 0 HA PHE A 78 3.439 16.752 38.195 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.227 19.210 38.344 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.710 17.600 37.851 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.578 16.593 35.776 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.372 20.739 36.775 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.969 17.122 33.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.767 21.269 34.445 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.563 19.460 32.782 1.00 0.00 H new ATOM 1223 N ASP A 79 4.384 16.242 40.427 1.00 0.00 N ATOM 1224 CA ASP A 79 4.779 15.891 41.786 1.00 0.00 C ATOM 1225 C ASP A 79 6.170 15.271 41.791 1.00 0.00 C ATOM 1226 O ASP A 79 6.642 14.772 40.770 1.00 0.00 O ATOM 1227 CB ASP A 79 3.772 14.914 42.386 1.00 0.00 C ATOM 1228 CG ASP A 79 2.947 15.603 43.465 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.056 16.405 43.112 1.00 0.00 O ATOM 1230 OD2 ASP A 79 3.192 15.340 44.661 1.00 0.00 O ATOM 0 H ASP A 79 4.339 15.451 39.785 1.00 0.00 H new ATOM 0 HA ASP A 79 4.799 16.799 42.389 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.115 14.532 41.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.295 14.057 42.810 1.00 0.00 H new ATOM 1235 N ASP A 80 6.822 15.303 42.949 1.00 0.00 N ATOM 1236 CA ASP A 80 8.161 14.742 43.090 1.00 0.00 C ATOM 1237 C ASP A 80 9.089 15.308 42.023 1.00 0.00 C ATOM 1238 O ASP A 80 9.789 14.565 41.336 1.00 0.00 O ATOM 1239 CB ASP A 80 8.103 13.222 42.980 1.00 0.00 C ATOM 1240 CG ASP A 80 7.110 12.659 43.989 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.515 12.402 45.142 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.929 12.477 43.625 1.00 0.00 O ATOM 0 H ASP A 80 6.444 15.712 43.804 1.00 0.00 H new ATOM 0 HA ASP A 80 8.552 15.013 44.071 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.810 12.934 41.970 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.092 12.799 43.157 1.00 0.00 H new ATOM 1247 N VAL A 81 9.090 16.631 41.891 1.00 0.00 N ATOM 1248 CA VAL A 81 9.934 17.306 40.910 1.00 0.00 C ATOM 1249 C VAL A 81 11.293 17.676 41.515 1.00 0.00 C ATOM 1250 O VAL A 81 12.146 18.239 40.828 1.00 0.00 O ATOM 1251 CB VAL A 81 9.221 18.558 40.396 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.126 19.365 39.467 1.00 0.00 C ATOM 1253 CG2 VAL A 81 7.932 18.174 39.674 1.00 0.00 C ATOM 0 H VAL A 81 8.514 17.258 42.452 1.00 0.00 H new ATOM 0 HA VAL A 81 10.114 16.626 40.078 1.00 0.00 H new ATOM 0 HB VAL A 81 8.974 19.182 41.255 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.593 20.249 39.117 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.021 19.672 40.008 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.410 18.751 38.612 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.435 19.074 39.313 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.167 17.526 38.829 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.272 17.646 40.363 1.00 0.00 H new ATOM 1263 N VAL A 82 11.497 17.357 42.794 1.00 0.00 N ATOM 1264 CA VAL A 82 12.758 17.657 43.467 1.00 0.00 C ATOM 1265 C VAL A 82 12.944 16.737 44.672 1.00 0.00 C ATOM 1266 O VAL A 82 12.044 16.602 45.500 1.00 0.00 O ATOM 1267 CB VAL A 82 12.781 19.113 43.925 1.00 0.00 C ATOM 1268 CG1 VAL A 82 14.086 19.421 44.659 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.601 20.053 42.738 1.00 0.00 C ATOM 0 H VAL A 82 10.806 16.892 43.382 1.00 0.00 H new ATOM 0 HA VAL A 82 13.573 17.493 42.762 1.00 0.00 H new ATOM 0 HB VAL A 82 11.951 19.269 44.614 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.086 20.463 44.979 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.174 18.774 45.531 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.929 19.246 43.991 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.620 21.086 43.086 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.409 19.896 42.023 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.645 19.850 42.255 1.00 0.00 H new ATOM 1279 N PRO A 83 14.119 16.094 44.790 1.00 0.00 N ATOM 1280 CA PRO A 83 14.417 15.185 45.911 1.00 0.00 C ATOM 1281 C PRO A 83 14.606 15.937 47.223 1.00 0.00 C ATOM 1282 O PRO A 83 14.289 17.122 47.324 1.00 0.00 O ATOM 1283 CB PRO A 83 15.717 14.509 45.499 1.00 0.00 C ATOM 1284 CG PRO A 83 16.367 15.467 44.557 1.00 0.00 C ATOM 1285 CD PRO A 83 15.252 16.195 43.854 1.00 0.00 C ATOM 0 HA PRO A 83 13.601 14.485 46.090 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.351 14.313 46.363 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.528 13.549 45.018 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.008 16.165 45.095 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.998 14.940 43.842 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.515 17.234 43.656 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.019 15.737 42.893 1.00 0.00 H new ATOM 1293 N GLU A 84 15.135 15.241 48.225 1.00 0.00 N ATOM 1294 CA GLU A 84 15.380 15.843 49.531 1.00 0.00 C ATOM 1295 C GLU A 84 16.501 16.868 49.428 1.00 0.00 C ATOM 1296 O GLU A 84 16.489 17.891 50.112 1.00 0.00 O ATOM 1297 CB GLU A 84 15.754 14.761 50.541 1.00 0.00 C ATOM 1298 CG GLU A 84 15.749 15.309 51.965 1.00 0.00 C ATOM 1299 CD GLU A 84 16.221 14.240 52.941 1.00 0.00 C ATOM 1300 OE1 GLU A 84 17.274 13.620 52.682 1.00 0.00 O ATOM 1301 OE2 GLU A 84 15.537 14.024 53.964 1.00 0.00 O ATOM 0 H GLU A 84 15.402 14.259 48.157 1.00 0.00 H new ATOM 0 HA GLU A 84 14.472 16.343 49.867 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.051 13.931 50.466 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.742 14.365 50.305 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.398 16.182 52.029 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.745 15.638 52.232 1.00 0.00 H new ATOM 1308 N LYS A 85 17.468 16.586 48.559 1.00 0.00 N ATOM 1309 CA LYS A 85 18.602 17.479 48.349 1.00 0.00 C ATOM 1310 C LYS A 85 18.915 17.581 46.861 1.00 0.00 C ATOM 1311 O LYS A 85 19.683 16.784 46.323 1.00 0.00 O ATOM 1312 CB LYS A 85 19.822 16.964 49.107 1.00 0.00 C ATOM 1313 CG LYS A 85 20.149 15.524 48.719 1.00 0.00 C ATOM 1314 CD LYS A 85 20.795 14.772 49.880 1.00 0.00 C ATOM 1315 CE LYS A 85 22.273 14.502 49.611 1.00 0.00 C ATOM 1316 NZ LYS A 85 22.457 13.290 48.764 1.00 0.00 N ATOM 0 H LYS A 85 17.488 15.742 47.987 1.00 0.00 H new ATOM 0 HA LYS A 85 18.347 18.470 48.726 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.680 17.603 48.897 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.637 17.021 50.180 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.237 15.011 48.413 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.821 15.520 47.861 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.690 15.353 50.796 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.274 13.828 50.040 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.718 15.365 49.116 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.799 14.371 50.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.472 13.133 48.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.053 12.463 49.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.975 13.427 47.853 1.00 0.00 H new ATOM 1330 N TYR A 86 18.308 18.561 46.201 1.00 0.00 N ATOM 1331 CA TYR A 86 18.513 18.767 44.770 1.00 0.00 C ATOM 1332 C TYR A 86 19.939 19.222 44.488 1.00 0.00 C ATOM 1333 O TYR A 86 20.666 19.624 45.396 1.00 0.00 O ATOM 1334 CB TYR A 86 17.525 19.806 44.247 1.00 0.00 C ATOM 1335 CG TYR A 86 17.800 21.193 44.771 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.852 21.932 44.258 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.001 21.730 45.766 1.00 0.00 C ATOM 1338 CE1 TYR A 86 19.104 23.206 44.741 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.254 23.004 46.247 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.304 23.735 45.732 1.00 0.00 C ATOM 1341 OH TYR A 86 18.555 25.001 46.210 1.00 0.00 O ATOM 0 H TYR A 86 17.668 19.227 46.634 1.00 0.00 H new ATOM 0 HA TYR A 86 18.345 17.819 44.259 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.563 19.820 43.158 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.514 19.511 44.527 1.00 0.00 H new ATOM 0 HD1 TYR A 86 19.476 21.516 43.481 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.180 21.155 46.167 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.925 23.783 44.342 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.631 23.424 47.023 1.00 0.00 H new ATOM 0 HH TYR A 86 17.900 25.224 46.904 1.00 0.00 H new ATOM 1351 N THR A 87 20.330 19.159 43.219 1.00 0.00 N ATOM 1352 CA THR A 87 21.667 19.565 42.801 1.00 0.00 C ATOM 1353 C THR A 87 21.599 20.287 41.462 1.00 0.00 C ATOM 1354 O THR A 87 21.232 19.696 40.446 1.00 0.00 O ATOM 1355 CB THR A 87 22.574 18.343 42.688 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.024 17.261 43.423 1.00 0.00 O ATOM 1357 CG2 THR A 87 23.978 18.661 43.196 1.00 0.00 C ATOM 0 H THR A 87 19.736 18.829 42.459 1.00 0.00 H new ATOM 0 HA THR A 87 22.078 20.243 43.548 1.00 0.00 H new ATOM 0 HB THR A 87 22.645 18.063 41.637 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.611 16.480 43.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 24.607 17.775 43.106 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.404 19.471 42.604 1.00 0.00 H new ATOM 0 HG23 THR A 87 23.927 18.964 44.242 1.00 0.00 H new ATOM 1365 N ILE A 88 21.952 21.569 41.465 1.00 0.00 N ATOM 1366 CA ILE A 88 21.929 22.380 40.248 1.00 0.00 C ATOM 1367 C ILE A 88 22.585 21.635 39.089 1.00 0.00 C ATOM 1368 O ILE A 88 23.684 21.099 39.225 1.00 0.00 O ATOM 1369 CB ILE A 88 22.653 23.700 40.493 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.994 24.464 41.640 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.667 24.551 39.228 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.846 24.405 42.905 1.00 0.00 C ATOM 0 H ILE A 88 22.258 22.071 42.298 1.00 0.00 H new ATOM 0 HA ILE A 88 20.890 22.580 39.985 1.00 0.00 H new ATOM 0 HB ILE A 88 23.684 23.478 40.768 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.843 25.503 41.348 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.009 24.043 41.842 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.188 25.488 39.425 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.180 24.011 38.432 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.643 24.763 38.921 1.00 0.00 H new ATOM 0 HD11 ILE A 88 22.351 24.958 43.703 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.975 23.366 43.209 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.822 24.849 42.708 1.00 0.00 H new ATOM 1384 N GLY A 89 21.899 21.604 37.950 1.00 0.00 N ATOM 1385 CA GLY A 89 22.410 20.924 36.765 1.00 0.00 C ATOM 1386 C GLY A 89 21.964 19.468 36.746 1.00 0.00 C ATOM 1387 O GLY A 89 22.729 18.580 36.369 1.00 0.00 O ATOM 0 H GLY A 89 20.987 22.043 37.823 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.055 21.430 35.867 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.499 20.976 36.751 1.00 0.00 H new ATOM 1391 N ALA A 90 20.722 19.227 37.155 1.00 0.00 N ATOM 1392 CA ALA A 90 20.175 17.874 37.186 1.00 0.00 C ATOM 1393 C ALA A 90 18.682 17.894 36.881 1.00 0.00 C ATOM 1394 O ALA A 90 18.010 18.906 37.081 1.00 0.00 O ATOM 1395 CB ALA A 90 20.417 17.246 38.555 1.00 0.00 C ATOM 0 H ALA A 90 20.075 19.950 37.469 1.00 0.00 H new ATOM 0 HA ALA A 90 20.678 17.279 36.424 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.006 16.237 38.570 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.488 17.205 38.752 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.930 17.848 39.322 1.00 0.00 H new ATOM 1401 N THR A 91 18.170 16.768 36.396 1.00 0.00 N ATOM 1402 CA THR A 91 16.755 16.647 36.061 1.00 0.00 C ATOM 1403 C THR A 91 16.039 15.793 37.098 1.00 0.00 C ATOM 1404 O THR A 91 16.592 14.810 37.593 1.00 0.00 O ATOM 1405 CB THR A 91 16.604 16.019 34.679 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.743 16.311 33.885 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.342 16.525 33.987 1.00 0.00 C ATOM 0 H THR A 91 18.716 15.923 36.226 1.00 0.00 H new ATOM 0 HA THR A 91 16.308 17.641 36.056 1.00 0.00 H new ATOM 0 HB THR A 91 16.519 14.939 34.801 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.638 15.903 33.000 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.256 16.063 33.003 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.469 16.266 34.587 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.397 17.608 33.876 1.00 0.00 H new ATOM 1415 N TYR A 92 14.807 16.169 37.428 1.00 0.00 N ATOM 1416 CA TYR A 92 14.024 15.430 38.411 1.00 0.00 C ATOM 1417 C TYR A 92 12.599 15.202 37.908 1.00 0.00 C ATOM 1418 O TYR A 92 12.309 14.166 37.310 1.00 0.00 O ATOM 1419 CB TYR A 92 14.018 16.184 39.740 1.00 0.00 C ATOM 1420 CG TYR A 92 15.403 16.355 40.310 1.00 0.00 C ATOM 1421 CD1 TYR A 92 16.097 15.258 40.790 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.984 17.611 40.350 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.371 15.417 41.311 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.258 17.769 40.871 1.00 0.00 C ATOM 1425 CZ TYR A 92 17.945 16.672 41.348 1.00 0.00 C ATOM 1426 OH TYR A 92 19.210 16.829 41.865 1.00 0.00 O ATOM 0 H TYR A 92 14.331 16.979 37.030 1.00 0.00 H new ATOM 0 HA TYR A 92 14.482 14.453 38.564 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.564 17.164 39.596 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.397 15.647 40.457 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.645 14.278 40.758 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.444 18.468 39.975 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.913 14.562 41.687 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.712 18.748 40.904 1.00 0.00 H new ATOM 0 HH TYR A 92 19.873 16.570 41.191 1.00 0.00 H new ATOM 1436 N ALA A 93 11.711 16.167 38.144 1.00 0.00 N ATOM 1437 CA ALA A 93 10.322 16.054 37.706 1.00 0.00 C ATOM 1438 C ALA A 93 9.731 14.715 38.139 1.00 0.00 C ATOM 1439 O ALA A 93 10.404 13.912 38.785 1.00 0.00 O ATOM 1440 CB ALA A 93 10.248 16.194 36.189 1.00 0.00 C ATOM 0 H ALA A 93 11.929 17.034 38.635 1.00 0.00 H new ATOM 0 HA ALA A 93 9.742 16.852 38.169 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.210 16.109 35.866 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.642 17.167 35.894 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.839 15.406 35.722 1.00 0.00 H new ATOM 1446 N PRO A 94 8.458 14.456 37.789 1.00 0.00 N ATOM 1447 CA PRO A 94 7.780 13.205 38.147 1.00 0.00 C ATOM 1448 C PRO A 94 8.178 12.055 37.229 1.00 0.00 C ATOM 1449 O PRO A 94 7.803 12.088 36.038 1.00 0.00 O ATOM 1450 CB PRO A 94 6.301 13.532 37.993 1.00 0.00 C ATOM 1451 CG PRO A 94 6.235 14.660 37.013 1.00 0.00 C ATOM 1452 CD PRO A 94 7.578 15.355 37.021 1.00 0.00 C ATOM 0 HA PRO A 94 8.043 12.873 39.151 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.744 12.667 37.632 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.862 13.818 38.949 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.003 14.287 36.015 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.442 15.357 37.285 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.952 15.506 36.008 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.513 16.338 37.487 1.00 0.00 H new