USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 370 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 19 TYR OH : rot 114:sc= 0.321 USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 5 GLN : amide:sc= 1 K(o=1.6,f=-0.14) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.642 K(o=1.6,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ 171:sc= -0.977! (180deg=-1.1!) USER MOD Single : A 9 SER OG : rot 32:sc= 0.926 USER MOD Single : A 12 SER OG : rot 64:sc= 0.0288 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.902 K(o=0.9,f=-0.0093) USER MOD Single : A 21 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 2.13 (180deg=0.734) USER MOD Single : B 3 ASN : amide:sc= 0.0219 K(o=0.022,f=-2.2!) USER MOD Single : B 4 GLN : amide:sc= -0.829 K(o=-0.83,f=-4.8!) USER MOD Single : B 5 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-0.93) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 120:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -127:sc= 0.504 (180deg=-0.00629) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.493 26.642 -12.588 1.00 0.00 N ATOM 2 CA GLY A 1 -22.975 25.917 -11.420 1.00 0.00 C ATOM 3 C GLY A 1 -23.575 24.524 -11.341 1.00 0.00 C ATOM 4 O GLY A 1 -24.768 24.380 -11.591 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.192 27.636 -12.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.122 26.209 -13.458 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.532 26.595 -12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.889 25.847 -11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.208 26.470 -10.510 1.00 0.00 H new ATOM 10 N ILE A 2 -22.765 23.521 -10.968 1.00 0.00 N ATOM 11 CA ILE A 2 -22.874 22.083 -11.338 1.00 0.00 C ATOM 12 C ILE A 2 -24.254 21.403 -11.207 1.00 0.00 C ATOM 13 O ILE A 2 -24.554 20.453 -11.928 1.00 0.00 O ATOM 14 CB ILE A 2 -21.810 21.295 -10.534 1.00 0.00 C ATOM 15 CG1 ILE A 2 -21.581 19.881 -11.115 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.183 21.216 -9.041 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.359 19.168 -10.521 1.00 0.00 C ATOM 0 H ILE A 2 -21.963 23.693 -10.362 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.705 22.062 -12.415 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.873 21.844 -10.623 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.469 19.275 -10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.459 19.956 -12.196 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.417 20.657 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.253 22.223 -8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.143 20.712 -8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.258 18.181 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.462 19.754 -10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.488 19.062 -9.444 1.00 0.00 H new ATOM 29 N VAL A 3 -25.118 21.902 -10.320 1.00 0.00 N ATOM 30 CA VAL A 3 -26.530 21.491 -10.207 1.00 0.00 C ATOM 31 C VAL A 3 -27.313 21.657 -11.524 1.00 0.00 C ATOM 32 O VAL A 3 -28.307 20.967 -11.726 1.00 0.00 O ATOM 33 CB VAL A 3 -27.189 22.224 -9.020 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.379 23.729 -9.261 1.00 0.00 C ATOM 35 CG2 VAL A 3 -28.533 21.611 -8.625 1.00 0.00 C ATOM 0 H VAL A 3 -24.855 22.619 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.558 20.420 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.482 22.096 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.847 24.181 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.409 24.195 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.016 23.880 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -28.953 22.165 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.218 21.660 -9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.387 20.570 -8.337 1.00 0.00 H new ATOM 45 N GLU A 4 -26.822 22.456 -12.475 1.00 0.00 N ATOM 46 CA GLU A 4 -27.298 22.479 -13.865 1.00 0.00 C ATOM 47 C GLU A 4 -27.257 21.101 -14.556 1.00 0.00 C ATOM 48 O GLU A 4 -28.113 20.816 -15.386 1.00 0.00 O ATOM 49 CB GLU A 4 -26.513 23.544 -14.652 1.00 0.00 C ATOM 50 CG GLU A 4 -24.998 23.273 -14.823 1.00 0.00 C ATOM 51 CD GLU A 4 -24.125 24.526 -14.621 1.00 0.00 C ATOM 52 OE1 GLU A 4 -22.983 24.410 -14.120 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.605 25.674 -14.781 1.00 0.00 O ATOM 0 H GLU A 4 -26.067 23.119 -12.299 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.355 22.746 -13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.960 23.641 -15.642 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.637 24.504 -14.151 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.691 22.507 -14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.819 22.871 -15.820 1.00 0.00 H new ATOM 60 N GLN A 5 -26.350 20.192 -14.183 1.00 0.00 N ATOM 61 CA GLN A 5 -26.354 18.810 -14.688 1.00 0.00 C ATOM 62 C GLN A 5 -27.543 17.991 -14.158 1.00 0.00 C ATOM 63 O GLN A 5 -28.103 17.169 -14.884 1.00 0.00 O ATOM 64 CB GLN A 5 -25.031 18.118 -14.334 1.00 0.00 C ATOM 65 CG GLN A 5 -23.818 18.849 -14.934 1.00 0.00 C ATOM 66 CD GLN A 5 -22.578 17.970 -15.070 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.868 18.032 -16.056 1.00 0.00 O ATOM 68 NE2 GLN A 5 -22.268 17.092 -14.139 1.00 0.00 N ATOM 0 H GLN A 5 -25.595 20.389 -13.526 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.462 18.862 -15.771 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.926 18.071 -13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.051 17.091 -14.697 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.088 19.236 -15.917 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.577 19.708 -14.308 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.842 17.014 -13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.453 16.490 -14.257 1.00 0.00 H new ATOM 77 N CYS A 6 -27.995 18.249 -12.924 1.00 0.00 N ATOM 78 CA CYS A 6 -29.223 17.649 -12.375 1.00 0.00 C ATOM 79 C CYS A 6 -30.507 18.154 -13.059 1.00 0.00 C ATOM 80 O CYS A 6 -31.542 17.503 -12.951 1.00 0.00 O ATOM 81 CB CYS A 6 -29.300 17.926 -10.866 1.00 0.00 C ATOM 82 SG CYS A 6 -28.053 17.059 -9.879 1.00 0.00 S ATOM 0 H CYS A 6 -27.522 18.879 -12.276 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.164 16.578 -12.569 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.195 18.998 -10.700 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.290 17.643 -10.508 1.00 0.00 H new ATOM 87 N CYS A 7 -30.425 19.294 -13.754 1.00 0.00 N ATOM 88 CA CYS A 7 -31.475 19.906 -14.570 1.00 0.00 C ATOM 89 C CYS A 7 -31.533 19.382 -16.022 1.00 0.00 C ATOM 90 O CYS A 7 -32.341 19.869 -16.810 1.00 0.00 O ATOM 91 CB CYS A 7 -31.248 21.426 -14.550 1.00 0.00 C ATOM 92 SG CYS A 7 -31.281 22.152 -12.885 1.00 0.00 S ATOM 0 H CYS A 7 -29.568 19.848 -13.761 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.439 19.636 -14.139 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.286 21.646 -15.013 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.013 21.906 -15.160 1.00 0.00 H new ATOM 97 N ALA A 8 -30.673 18.424 -16.395 1.00 0.00 N ATOM 98 CA ALA A 8 -30.604 17.875 -17.756 1.00 0.00 C ATOM 99 C ALA A 8 -30.260 16.371 -17.837 1.00 0.00 C ATOM 100 O ALA A 8 -30.384 15.776 -18.908 1.00 0.00 O ATOM 101 CB ALA A 8 -29.603 18.726 -18.551 1.00 0.00 C ATOM 0 H ALA A 8 -29.999 18.005 -15.754 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.604 17.930 -18.186 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.528 18.344 -19.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.945 19.761 -18.576 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.625 18.678 -18.073 1.00 0.00 H new ATOM 107 N SER A 9 -29.825 15.726 -16.751 1.00 0.00 N ATOM 108 CA SER A 9 -29.533 14.285 -16.701 1.00 0.00 C ATOM 109 C SER A 9 -29.652 13.721 -15.276 1.00 0.00 C ATOM 110 O SER A 9 -29.988 14.440 -14.330 1.00 0.00 O ATOM 111 CB SER A 9 -28.144 14.040 -17.310 1.00 0.00 C ATOM 112 OG SER A 9 -28.266 13.989 -18.719 1.00 0.00 O ATOM 0 H SER A 9 -29.662 16.198 -15.862 1.00 0.00 H new ATOM 0 HA SER A 9 -30.277 13.748 -17.289 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.459 14.836 -17.019 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.726 13.106 -16.933 1.00 0.00 H new ATOM 0 HG SER A 9 -28.995 14.578 -19.006 1.00 0.00 H new ATOM 118 N VAL A 10 -29.413 12.408 -15.127 1.00 0.00 N ATOM 119 CA VAL A 10 -29.626 11.647 -13.881 1.00 0.00 C ATOM 120 C VAL A 10 -28.794 12.203 -12.721 1.00 0.00 C ATOM 121 O VAL A 10 -27.614 11.893 -12.548 1.00 0.00 O ATOM 122 CB VAL A 10 -29.352 10.139 -14.074 1.00 0.00 C ATOM 123 CG1 VAL A 10 -29.598 9.347 -12.778 1.00 0.00 C ATOM 124 CG2 VAL A 10 -30.277 9.540 -15.141 1.00 0.00 C ATOM 0 H VAL A 10 -29.057 11.830 -15.888 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.678 11.766 -13.623 1.00 0.00 H new ATOM 0 HB VAL A 10 -28.308 10.060 -14.376 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -29.395 8.291 -12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -28.938 9.718 -11.994 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -30.636 9.470 -12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -30.061 8.478 -15.255 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.316 9.668 -14.836 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -30.113 10.048 -16.091 1.00 0.00 H new ATOM 134 N CYS A 11 -29.436 13.017 -11.885 1.00 0.00 N ATOM 135 CA CYS A 11 -28.776 13.724 -10.796 1.00 0.00 C ATOM 136 C CYS A 11 -28.070 12.765 -9.816 1.00 0.00 C ATOM 137 O CYS A 11 -28.656 11.784 -9.341 1.00 0.00 O ATOM 138 CB CYS A 11 -29.809 14.603 -10.094 1.00 0.00 C ATOM 139 SG CYS A 11 -29.129 15.691 -8.822 1.00 0.00 S ATOM 0 H CYS A 11 -30.437 13.204 -11.947 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.984 14.351 -11.206 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -30.317 15.212 -10.842 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -30.564 13.962 -9.639 1.00 0.00 H new ATOM 144 N SER A 12 -26.806 13.060 -9.499 1.00 0.00 N ATOM 145 CA SER A 12 -25.919 12.227 -8.670 1.00 0.00 C ATOM 146 C SER A 12 -25.275 13.042 -7.545 1.00 0.00 C ATOM 147 O SER A 12 -24.914 14.204 -7.742 1.00 0.00 O ATOM 148 CB SER A 12 -24.856 11.569 -9.549 1.00 0.00 C ATOM 149 OG SER A 12 -25.472 10.635 -10.410 1.00 0.00 O ATOM 0 H SER A 12 -26.353 13.915 -9.822 1.00 0.00 H new ATOM 0 HA SER A 12 -26.519 11.448 -8.199 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.331 12.326 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.111 11.071 -8.928 1.00 0.00 H new ATOM 0 HG SER A 12 -26.081 11.103 -11.019 1.00 0.00 H new ATOM 155 N LEU A 13 -25.171 12.438 -6.356 1.00 0.00 N ATOM 156 CA LEU A 13 -25.088 13.160 -5.080 1.00 0.00 C ATOM 157 C LEU A 13 -23.783 13.936 -4.870 1.00 0.00 C ATOM 158 O LEU A 13 -23.837 15.059 -4.387 1.00 0.00 O ATOM 159 CB LEU A 13 -25.323 12.189 -3.905 1.00 0.00 C ATOM 160 CG LEU A 13 -26.750 11.601 -3.829 1.00 0.00 C ATOM 161 CD1 LEU A 13 -26.911 10.313 -4.646 1.00 0.00 C ATOM 162 CD2 LEU A 13 -27.112 11.270 -2.380 1.00 0.00 C ATOM 0 H LEU A 13 -25.142 11.424 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.875 13.913 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.610 11.368 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -25.109 12.711 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 13 -27.408 12.365 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.934 9.949 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.693 10.517 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.221 9.556 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -28.120 10.857 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -26.405 10.540 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -27.069 12.178 -1.778 1.00 0.00 H new ATOM 174 N TYR A 14 -22.638 13.388 -5.280 1.00 0.00 N ATOM 175 CA TYR A 14 -21.314 13.992 -5.059 1.00 0.00 C ATOM 176 C TYR A 14 -21.153 15.398 -5.670 1.00 0.00 C ATOM 177 O TYR A 14 -20.356 16.199 -5.192 1.00 0.00 O ATOM 178 CB TYR A 14 -20.244 13.023 -5.583 1.00 0.00 C ATOM 179 CG TYR A 14 -20.455 11.584 -5.135 1.00 0.00 C ATOM 180 CD1 TYR A 14 -20.346 11.253 -3.770 1.00 0.00 C ATOM 181 CD2 TYR A 14 -20.823 10.594 -6.070 1.00 0.00 C ATOM 182 CE1 TYR A 14 -20.596 9.936 -3.336 1.00 0.00 C ATOM 183 CE2 TYR A 14 -21.080 9.277 -5.636 1.00 0.00 C ATOM 184 CZ TYR A 14 -20.963 8.944 -4.270 1.00 0.00 C ATOM 185 OH TYR A 14 -21.209 7.671 -3.864 1.00 0.00 O ATOM 0 H TYR A 14 -22.599 12.501 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.195 14.148 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.236 13.058 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.264 13.360 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -20.070 12.012 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.908 10.844 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -20.507 9.686 -2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.367 8.521 -6.352 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.450 7.121 -4.639 1.00 0.00 H new ATOM 195 N GLN A 15 -21.968 15.737 -6.675 1.00 0.00 N ATOM 196 CA GLN A 15 -22.062 17.092 -7.232 1.00 0.00 C ATOM 197 C GLN A 15 -22.544 18.134 -6.211 1.00 0.00 C ATOM 198 O GLN A 15 -22.265 19.317 -6.370 1.00 0.00 O ATOM 199 CB GLN A 15 -23.060 17.085 -8.394 1.00 0.00 C ATOM 200 CG GLN A 15 -22.697 16.129 -9.540 1.00 0.00 C ATOM 201 CD GLN A 15 -23.802 16.108 -10.587 1.00 0.00 C ATOM 202 OE1 GLN A 15 -23.597 16.327 -11.764 1.00 0.00 O ATOM 203 NE2 GLN A 15 -25.042 15.894 -10.207 1.00 0.00 N ATOM 0 H GLN A 15 -22.590 15.069 -7.131 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.057 17.370 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.044 16.814 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.141 18.096 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.759 16.442 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.541 15.124 -9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -25.250 15.707 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -25.796 15.915 -10.893 1.00 0.00 H new ATOM 212 N LEU A 16 -23.289 17.713 -5.185 1.00 0.00 N ATOM 213 CA LEU A 16 -23.764 18.568 -4.093 1.00 0.00 C ATOM 214 C LEU A 16 -22.673 18.757 -3.030 1.00 0.00 C ATOM 215 O LEU A 16 -22.454 19.871 -2.561 1.00 0.00 O ATOM 216 CB LEU A 16 -25.046 17.962 -3.488 1.00 0.00 C ATOM 217 CG LEU A 16 -26.180 17.696 -4.498 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.423 17.201 -3.757 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.576 18.933 -5.311 1.00 0.00 C ATOM 0 H LEU A 16 -23.586 16.742 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.000 19.557 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.790 17.023 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.418 18.635 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.797 16.948 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.223 17.014 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.187 16.278 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.746 17.958 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.379 18.673 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.918 19.718 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.714 19.289 -5.875 1.00 0.00 H new ATOM 231 N GLU A 17 -21.925 17.695 -2.714 1.00 0.00 N ATOM 232 CA GLU A 17 -20.776 17.745 -1.790 1.00 0.00 C ATOM 233 C GLU A 17 -19.713 18.737 -2.276 1.00 0.00 C ATOM 234 O GLU A 17 -19.109 19.452 -1.484 1.00 0.00 O ATOM 235 CB GLU A 17 -20.130 16.353 -1.659 1.00 0.00 C ATOM 236 CG GLU A 17 -21.087 15.194 -1.340 1.00 0.00 C ATOM 237 CD GLU A 17 -21.712 15.242 0.061 1.00 0.00 C ATOM 238 OE1 GLU A 17 -21.678 16.304 0.721 1.00 0.00 O ATOM 239 OE2 GLU A 17 -22.232 14.179 0.454 1.00 0.00 O ATOM 0 H GLU A 17 -22.098 16.764 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.153 18.073 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.613 16.125 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.372 16.398 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.888 15.189 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.546 14.254 -1.449 1.00 0.00 H new ATOM 246 N ASN A 18 -19.548 18.849 -3.599 1.00 0.00 N ATOM 247 CA ASN A 18 -18.685 19.835 -4.256 1.00 0.00 C ATOM 248 C ASN A 18 -19.131 21.302 -4.003 1.00 0.00 C ATOM 249 O ASN A 18 -18.351 22.217 -4.263 1.00 0.00 O ATOM 250 CB ASN A 18 -18.680 19.476 -5.763 1.00 0.00 C ATOM 251 CG ASN A 18 -17.493 19.963 -6.591 1.00 0.00 C ATOM 252 OD1 ASN A 18 -17.138 19.371 -7.593 1.00 0.00 O ATOM 253 ND2 ASN A 18 -16.808 21.020 -6.225 1.00 0.00 N ATOM 0 H ASN A 18 -20.026 18.237 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.679 19.789 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.732 18.391 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.590 19.876 -6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.004 21.323 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.079 21.539 -5.390 1.00 0.00 H new ATOM 260 N TYR A 19 -20.376 21.536 -3.569 1.00 0.00 N ATOM 261 CA TYR A 19 -21.022 22.857 -3.483 1.00 0.00 C ATOM 262 C TYR A 19 -21.440 23.295 -2.065 1.00 0.00 C ATOM 263 O TYR A 19 -21.691 24.489 -1.873 1.00 0.00 O ATOM 264 CB TYR A 19 -22.218 22.902 -4.460 1.00 0.00 C ATOM 265 CG TYR A 19 -21.920 23.564 -5.798 1.00 0.00 C ATOM 266 CD1 TYR A 19 -22.820 24.508 -6.331 1.00 0.00 C ATOM 267 CD2 TYR A 19 -20.734 23.267 -6.500 1.00 0.00 C ATOM 268 CE1 TYR A 19 -22.530 25.159 -7.547 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.418 23.940 -7.691 1.00 0.00 C ATOM 270 CZ TYR A 19 -21.316 24.888 -8.210 1.00 0.00 C ATOM 271 OH TYR A 19 -21.008 25.551 -9.349 1.00 0.00 O ATOM 0 H TYR A 19 -20.987 20.782 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.264 23.586 -3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.560 21.883 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -23.041 23.434 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -23.736 24.734 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.061 22.514 -6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.234 25.861 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.491 23.731 -8.205 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.227 26.123 -9.194 1.00 0.00 H new ATOM 281 N CYS A 20 -21.494 22.392 -1.081 1.00 0.00 N ATOM 282 CA CYS A 20 -21.604 22.770 0.332 1.00 0.00 C ATOM 283 C CYS A 20 -20.355 23.544 0.812 1.00 0.00 C ATOM 284 O CYS A 20 -19.263 23.334 0.283 1.00 0.00 O ATOM 285 CB CYS A 20 -21.866 21.521 1.183 1.00 0.00 C ATOM 286 SG CYS A 20 -22.407 21.889 2.877 1.00 0.00 S ATOM 0 H CYS A 20 -21.463 21.385 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.449 23.448 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.626 20.912 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.956 20.923 1.224 1.00 0.00 H new ATOM 291 N ASN A 21 -20.504 24.442 1.795 1.00 0.00 N ATOM 292 CA ASN A 21 -19.367 25.082 2.475 1.00 0.00 C ATOM 293 C ASN A 21 -18.711 24.150 3.505 1.00 0.00 C ATOM 294 O ASN A 21 -19.282 23.075 3.807 1.00 0.00 O ATOM 295 CB ASN A 21 -19.804 26.449 3.068 1.00 0.00 C ATOM 296 CG ASN A 21 -19.435 27.641 2.199 1.00 0.00 C ATOM 297 OD1 ASN A 21 -20.269 28.375 1.693 1.00 0.00 O ATOM 298 ND2 ASN A 21 -18.156 27.864 1.991 1.00 0.00 N ATOM 299 OXT ASN A 21 -17.614 24.516 3.973 1.00 0.00 O ATOM 0 H ASN A 21 -21.414 24.746 2.142 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.587 25.283 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.884 26.441 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.347 26.572 4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.863 28.648 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.457 27.253 2.412 1.00 0.00 H new ATOM 307 N PHE B 1 -30.717 10.209 -8.445 1.00 0.00 N ATOM 308 CA PHE B 1 -30.835 10.617 -7.028 1.00 0.00 C ATOM 309 C PHE B 1 -32.306 10.524 -6.665 1.00 0.00 C ATOM 310 O PHE B 1 -32.755 9.423 -6.380 1.00 0.00 O ATOM 311 CB PHE B 1 -30.183 11.985 -6.743 1.00 0.00 C ATOM 312 CG PHE B 1 -30.615 12.645 -5.447 1.00 0.00 C ATOM 313 CD1 PHE B 1 -30.452 11.976 -4.217 1.00 0.00 C ATOM 314 CD2 PHE B 1 -31.265 13.895 -5.484 1.00 0.00 C ATOM 315 CE1 PHE B 1 -30.955 12.544 -3.035 1.00 0.00 C ATOM 316 CE2 PHE B 1 -31.783 14.452 -4.304 1.00 0.00 C ATOM 317 CZ PHE B 1 -31.629 13.777 -3.080 1.00 0.00 C ATOM 0 H1 PHE B 1 -30.029 10.822 -8.927 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.395 9.221 -8.496 1.00 0.00 H new ATOM 0 H3 PHE B 1 -31.643 10.296 -8.910 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.268 9.949 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -29.101 11.858 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -30.411 12.658 -7.569 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -29.940 11.026 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -31.365 14.424 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -30.824 12.034 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -32.300 15.400 -4.336 1.00 0.00 H new ATOM 0 HZ PHE B 1 -32.029 14.206 -2.173 1.00 0.00 H new ATOM 329 N VAL B 2 -33.074 11.598 -6.860 1.00 0.00 N ATOM 330 CA VAL B 2 -34.464 11.478 -7.314 1.00 0.00 C ATOM 331 C VAL B 2 -34.474 10.882 -8.739 1.00 0.00 C ATOM 332 O VAL B 2 -33.415 10.771 -9.373 1.00 0.00 O ATOM 333 CB VAL B 2 -35.164 12.846 -7.176 1.00 0.00 C ATOM 334 CG1 VAL B 2 -34.817 13.809 -8.318 1.00 0.00 C ATOM 335 CG2 VAL B 2 -36.680 12.697 -7.027 1.00 0.00 C ATOM 0 H VAL B 2 -32.760 12.557 -6.712 1.00 0.00 H new ATOM 0 HA VAL B 2 -35.040 10.790 -6.695 1.00 0.00 H new ATOM 0 HB VAL B 2 -34.777 13.289 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -35.338 14.754 -8.168 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -33.741 13.985 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -35.124 13.372 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -37.135 13.683 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -37.084 12.193 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -36.902 12.108 -6.137 1.00 0.00 H new ATOM 345 N ASN B 3 -35.632 10.433 -9.215 1.00 0.00 N ATOM 346 CA ASN B 3 -35.791 9.570 -10.391 1.00 0.00 C ATOM 347 C ASN B 3 -35.548 10.278 -11.738 1.00 0.00 C ATOM 348 O ASN B 3 -35.219 9.627 -12.726 1.00 0.00 O ATOM 349 CB ASN B 3 -37.220 8.991 -10.360 1.00 0.00 C ATOM 350 CG ASN B 3 -37.592 8.329 -9.042 1.00 0.00 C ATOM 351 OD1 ASN B 3 -37.694 8.962 -8.005 1.00 0.00 O ATOM 352 ND2 ASN B 3 -37.812 7.036 -9.029 1.00 0.00 N ATOM 0 H ASN B 3 -36.523 10.667 -8.778 1.00 0.00 H new ATOM 0 HA ASN B 3 -35.028 8.794 -10.330 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.930 9.792 -10.565 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.322 8.261 -11.163 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -38.065 6.571 -8.158 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -37.730 6.496 -9.890 1.00 0.00 H new ATOM 359 N GLN B 4 -35.735 11.594 -11.781 1.00 0.00 N ATOM 360 CA GLN B 4 -35.909 12.378 -13.002 1.00 0.00 C ATOM 361 C GLN B 4 -35.055 13.651 -13.004 1.00 0.00 C ATOM 362 O GLN B 4 -34.802 14.237 -11.954 1.00 0.00 O ATOM 363 CB GLN B 4 -37.410 12.693 -13.178 1.00 0.00 C ATOM 364 CG GLN B 4 -37.961 13.847 -12.313 1.00 0.00 C ATOM 365 CD GLN B 4 -37.858 13.659 -10.801 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.867 12.564 -10.268 1.00 0.00 O ATOM 367 NE2 GLN B 4 -37.732 14.720 -10.038 1.00 0.00 N ATOM 0 H GLN B 4 -35.771 12.165 -10.937 1.00 0.00 H new ATOM 0 HA GLN B 4 -35.560 11.791 -13.851 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -37.591 12.931 -14.226 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -37.980 11.791 -12.953 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -37.432 14.761 -12.582 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -39.009 13.998 -12.570 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -37.721 15.650 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.645 14.614 -9.027 1.00 0.00 H new ATOM 376 N HIS B 5 -34.682 14.122 -14.194 1.00 0.00 N ATOM 377 CA HIS B 5 -33.793 15.272 -14.444 1.00 0.00 C ATOM 378 C HIS B 5 -34.429 16.656 -14.169 1.00 0.00 C ATOM 379 O HIS B 5 -34.087 17.648 -14.811 1.00 0.00 O ATOM 380 CB HIS B 5 -33.262 15.191 -15.892 1.00 0.00 C ATOM 381 CG HIS B 5 -33.139 13.809 -16.502 1.00 0.00 C ATOM 382 ND1 HIS B 5 -32.642 12.660 -15.879 1.00 0.00 N ATOM 383 CD2 HIS B 5 -33.533 13.477 -17.763 1.00 0.00 C ATOM 384 CE1 HIS B 5 -32.748 11.673 -16.781 1.00 0.00 C ATOM 385 NE2 HIS B 5 -33.279 12.133 -17.921 1.00 0.00 N ATOM 0 H HIS B 5 -35.006 13.693 -15.061 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.977 15.196 -13.725 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -33.919 15.785 -16.528 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -32.280 15.663 -15.920 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -33.963 14.141 -18.498 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -32.447 10.650 -16.611 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -33.463 11.583 -18.760 1.00 0.00 H new ATOM 393 N LEU B 6 -35.440 16.722 -13.297 1.00 0.00 N ATOM 394 CA LEU B 6 -36.289 17.905 -13.149 1.00 0.00 C ATOM 395 C LEU B 6 -35.631 18.935 -12.219 1.00 0.00 C ATOM 396 O LEU B 6 -35.464 18.709 -11.022 1.00 0.00 O ATOM 397 CB LEU B 6 -37.717 17.477 -12.751 1.00 0.00 C ATOM 398 CG LEU B 6 -38.852 18.511 -12.874 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.795 19.613 -11.822 1.00 0.00 C ATOM 400 CD2 LEU B 6 -38.914 19.145 -14.264 1.00 0.00 C ATOM 0 H LEU B 6 -35.692 15.955 -12.674 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.393 18.424 -14.102 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -37.987 16.614 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.686 17.140 -11.715 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.760 17.934 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.625 20.303 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.866 19.171 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.853 20.154 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -39.730 19.866 -14.299 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -37.972 19.652 -14.475 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -39.083 18.369 -15.011 1.00 0.00 H new ATOM 412 N CYS B 7 -35.277 20.076 -12.804 1.00 0.00 N ATOM 413 CA CYS B 7 -34.583 21.191 -12.167 1.00 0.00 C ATOM 414 C CYS B 7 -35.424 21.911 -11.097 1.00 0.00 C ATOM 415 O CYS B 7 -36.530 22.365 -11.392 1.00 0.00 O ATOM 416 CB CYS B 7 -34.238 22.178 -13.287 1.00 0.00 C ATOM 417 SG CYS B 7 -32.917 23.356 -12.928 1.00 0.00 S ATOM 0 H CYS B 7 -35.477 20.257 -13.788 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.705 20.808 -11.646 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -33.958 21.608 -14.173 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.138 22.738 -13.540 1.00 0.00 H new ATOM 422 N GLY B 8 -34.883 22.110 -9.889 1.00 0.00 N ATOM 423 CA GLY B 8 -35.531 22.941 -8.867 1.00 0.00 C ATOM 424 C GLY B 8 -34.884 22.897 -7.480 1.00 0.00 C ATOM 425 O GLY B 8 -33.826 22.296 -7.278 1.00 0.00 O ATOM 0 H GLY B 8 -33.994 21.705 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -35.538 23.974 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.571 22.629 -8.774 1.00 0.00 H new ATOM 429 N SER B 9 -35.556 23.526 -6.508 1.00 0.00 N ATOM 430 CA SER B 9 -35.129 23.581 -5.098 1.00 0.00 C ATOM 431 C SER B 9 -34.966 22.210 -4.436 1.00 0.00 C ATOM 432 O SER B 9 -34.275 22.126 -3.431 1.00 0.00 O ATOM 433 CB SER B 9 -36.100 24.416 -4.254 1.00 0.00 C ATOM 434 OG SER B 9 -36.194 25.732 -4.773 1.00 0.00 O ATOM 0 H SER B 9 -36.430 24.022 -6.680 1.00 0.00 H new ATOM 0 HA SER B 9 -34.145 24.049 -5.130 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.084 23.948 -4.250 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.758 24.449 -3.220 1.00 0.00 H new ATOM 0 HG SER B 9 -36.818 26.255 -4.227 1.00 0.00 H new ATOM 440 N HIS B 10 -35.478 21.122 -5.018 1.00 0.00 N ATOM 441 CA HIS B 10 -35.319 19.748 -4.513 1.00 0.00 C ATOM 442 C HIS B 10 -33.844 19.321 -4.393 1.00 0.00 C ATOM 443 O HIS B 10 -33.483 18.538 -3.514 1.00 0.00 O ATOM 444 CB HIS B 10 -36.083 18.804 -5.456 1.00 0.00 C ATOM 445 CG HIS B 10 -37.516 19.205 -5.728 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.167 19.047 -6.953 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.397 19.747 -4.835 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.419 19.490 -6.770 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.585 19.919 -5.506 1.00 0.00 N ATOM 0 H HIS B 10 -36.029 21.169 -5.875 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.725 19.700 -3.503 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.549 18.750 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.076 17.801 -5.028 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.199 19.993 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.186 19.501 -7.530 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.443 20.305 -5.113 1.00 0.00 H new ATOM 457 N LEU B 11 -32.960 19.876 -5.235 1.00 0.00 N ATOM 458 CA LEU B 11 -31.508 19.695 -5.125 1.00 0.00 C ATOM 459 C LEU B 11 -30.854 20.596 -4.053 1.00 0.00 C ATOM 460 O LEU B 11 -29.790 20.258 -3.534 1.00 0.00 O ATOM 461 CB LEU B 11 -30.840 19.900 -6.500 1.00 0.00 C ATOM 462 CG LEU B 11 -31.262 18.970 -7.663 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.555 17.533 -7.221 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.458 19.490 -8.463 1.00 0.00 C ATOM 0 H LEU B 11 -33.237 20.468 -6.018 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.345 18.670 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.026 20.928 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.763 19.798 -6.366 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.385 18.967 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.845 16.938 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.662 17.103 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.367 17.534 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -32.696 18.786 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.319 19.595 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.212 20.460 -8.896 1.00 0.00 H new ATOM 476 N VAL B 12 -31.484 21.719 -3.687 1.00 0.00 N ATOM 477 CA VAL B 12 -31.097 22.550 -2.527 1.00 0.00 C ATOM 478 C VAL B 12 -31.611 21.936 -1.223 1.00 0.00 C ATOM 479 O VAL B 12 -30.909 21.942 -0.221 1.00 0.00 O ATOM 480 CB VAL B 12 -31.580 24.011 -2.663 1.00 0.00 C ATOM 481 CG1 VAL B 12 -31.124 24.875 -1.477 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.022 24.662 -3.934 1.00 0.00 C ATOM 0 H VAL B 12 -32.290 22.086 -4.193 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.007 22.571 -2.503 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.668 23.965 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.484 25.895 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.529 24.466 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.035 24.878 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.379 25.690 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.933 24.658 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.357 24.102 -4.807 1.00 0.00 H new ATOM 492 N GLU B 13 -32.792 21.328 -1.229 1.00 0.00 N ATOM 493 CA GLU B 13 -33.309 20.521 -0.121 1.00 0.00 C ATOM 494 C GLU B 13 -32.445 19.272 0.099 1.00 0.00 C ATOM 495 O GLU B 13 -32.162 18.924 1.241 1.00 0.00 O ATOM 496 CB GLU B 13 -34.770 20.158 -0.404 1.00 0.00 C ATOM 497 CG GLU B 13 -35.685 21.398 -0.334 1.00 0.00 C ATOM 498 CD GLU B 13 -36.911 21.289 -1.251 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.329 20.149 -1.549 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.393 22.348 -1.714 1.00 0.00 O ATOM 0 H GLU B 13 -33.434 21.381 -2.020 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.265 21.099 0.802 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.848 19.702 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.108 19.414 0.318 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.018 21.540 0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.111 22.283 -0.608 1.00 0.00 H new ATOM 507 N ALA B 14 -31.913 18.663 -0.965 1.00 0.00 N ATOM 508 CA ALA B 14 -30.879 17.635 -0.848 1.00 0.00 C ATOM 509 C ALA B 14 -29.589 18.164 -0.187 1.00 0.00 C ATOM 510 O ALA B 14 -29.089 17.536 0.742 1.00 0.00 O ATOM 511 CB ALA B 14 -30.627 17.049 -2.238 1.00 0.00 C ATOM 0 H ALA B 14 -32.186 18.868 -1.926 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.229 16.847 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -29.858 16.279 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.549 16.611 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.294 17.839 -2.911 1.00 0.00 H new ATOM 517 N LEU B 15 -29.099 19.349 -0.575 1.00 0.00 N ATOM 518 CA LEU B 15 -27.989 20.019 0.121 1.00 0.00 C ATOM 519 C LEU B 15 -28.309 20.280 1.606 1.00 0.00 C ATOM 520 O LEU B 15 -27.451 20.062 2.459 1.00 0.00 O ATOM 521 CB LEU B 15 -27.635 21.333 -0.599 1.00 0.00 C ATOM 522 CG LEU B 15 -26.748 21.161 -1.838 1.00 0.00 C ATOM 523 CD1 LEU B 15 -26.896 22.370 -2.759 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.270 21.074 -1.457 1.00 0.00 C ATOM 0 H LEU B 15 -29.458 19.869 -1.376 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.128 19.351 0.094 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.559 21.830 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.129 21.993 0.105 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.064 20.242 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.262 22.239 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.936 22.463 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.596 23.272 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.669 20.952 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -24.972 21.988 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.114 20.220 -0.798 1.00 0.00 H new ATOM 536 N TYR B 16 -29.544 20.670 1.946 1.00 0.00 N ATOM 537 CA TYR B 16 -29.986 20.799 3.342 1.00 0.00 C ATOM 538 C TYR B 16 -30.054 19.459 4.096 1.00 0.00 C ATOM 539 O TYR B 16 -29.678 19.414 5.266 1.00 0.00 O ATOM 540 CB TYR B 16 -31.328 21.537 3.443 1.00 0.00 C ATOM 541 CG TYR B 16 -31.223 23.051 3.463 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.689 23.701 4.593 1.00 0.00 C ATOM 543 CD2 TYR B 16 -31.711 23.816 2.387 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.631 25.107 4.646 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.666 25.223 2.439 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.121 25.872 3.567 1.00 0.00 C ATOM 547 OH TYR B 16 -31.085 27.230 3.616 1.00 0.00 O ATOM 0 H TYR B 16 -30.264 20.905 1.263 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.216 21.394 3.833 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.953 21.242 2.600 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.839 21.210 4.349 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.322 23.117 5.424 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.121 23.323 1.518 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.212 25.599 5.511 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.049 25.806 1.614 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.461 27.597 2.789 1.00 0.00 H new ATOM 557 N LEU B 17 -30.508 18.376 3.461 1.00 0.00 N ATOM 558 CA LEU B 17 -30.627 17.046 4.074 1.00 0.00 C ATOM 559 C LEU B 17 -29.271 16.359 4.284 1.00 0.00 C ATOM 560 O LEU B 17 -29.114 15.611 5.246 1.00 0.00 O ATOM 561 CB LEU B 17 -31.542 16.174 3.193 1.00 0.00 C ATOM 562 CG LEU B 17 -33.033 16.549 3.293 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.810 15.938 2.126 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.645 16.045 4.603 1.00 0.00 C ATOM 0 H LEU B 17 -30.810 18.397 2.487 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.059 17.172 5.067 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.223 16.261 2.154 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.419 15.129 3.478 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.100 17.636 3.262 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.862 16.210 2.208 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.410 16.315 1.185 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.713 14.853 2.153 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.698 16.325 4.644 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.556 14.960 4.652 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.118 16.491 5.446 1.00 0.00 H new ATOM 576 N VAL B 18 -28.299 16.618 3.405 1.00 0.00 N ATOM 577 CA VAL B 18 -26.936 16.067 3.496 1.00 0.00 C ATOM 578 C VAL B 18 -26.016 16.953 4.347 1.00 0.00 C ATOM 579 O VAL B 18 -25.224 16.447 5.140 1.00 0.00 O ATOM 580 CB VAL B 18 -26.368 15.863 2.075 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.913 15.392 2.074 1.00 0.00 C ATOM 582 CG2 VAL B 18 -27.182 14.816 1.299 1.00 0.00 C ATOM 0 H VAL B 18 -28.435 17.225 2.597 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.985 15.102 4.000 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.429 16.843 1.601 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.572 15.267 1.046 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.290 16.133 2.575 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.838 14.440 2.599 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.760 14.693 0.302 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -27.148 13.864 1.828 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -28.217 15.148 1.216 1.00 0.00 H new ATOM 592 N CYS B 19 -26.116 18.280 4.198 1.00 0.00 N ATOM 593 CA CYS B 19 -25.081 19.232 4.628 1.00 0.00 C ATOM 594 C CYS B 19 -25.645 20.561 5.197 1.00 0.00 C ATOM 595 O CYS B 19 -24.933 21.558 5.303 1.00 0.00 O ATOM 596 CB CYS B 19 -24.128 19.423 3.431 1.00 0.00 C ATOM 597 SG CYS B 19 -22.487 20.083 3.811 1.00 0.00 S ATOM 0 H CYS B 19 -26.926 18.729 3.771 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.535 18.828 5.481 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.003 18.460 2.936 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.608 20.090 2.715 1.00 0.00 H new ATOM 602 N GLY B 20 -26.929 20.613 5.574 1.00 0.00 N ATOM 603 CA GLY B 20 -27.663 21.859 5.857 1.00 0.00 C ATOM 604 C GLY B 20 -27.174 22.739 7.008 1.00 0.00 C ATOM 605 O GLY B 20 -27.592 23.889 7.086 1.00 0.00 O ATOM 0 H GLY B 20 -27.500 19.776 5.694 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -27.656 22.463 4.950 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -28.702 21.596 6.057 1.00 0.00 H new ATOM 609 N GLU B 21 -26.275 22.238 7.854 1.00 0.00 N ATOM 610 CA GLU B 21 -25.613 22.996 8.925 1.00 0.00 C ATOM 611 C GLU B 21 -24.690 24.112 8.398 1.00 0.00 C ATOM 612 O GLU B 21 -24.520 25.136 9.056 1.00 0.00 O ATOM 613 CB GLU B 21 -24.812 21.977 9.758 1.00 0.00 C ATOM 614 CG GLU B 21 -24.097 22.560 10.987 1.00 0.00 C ATOM 615 CD GLU B 21 -23.311 21.485 11.755 1.00 0.00 C ATOM 616 OE1 GLU B 21 -22.651 20.655 11.086 1.00 0.00 O ATOM 617 OE2 GLU B 21 -23.364 21.507 13.004 1.00 0.00 O ATOM 0 H GLU B 21 -25.975 21.264 7.815 1.00 0.00 H new ATOM 0 HA GLU B 21 -26.367 23.507 9.523 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -25.489 21.190 10.090 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.069 21.508 9.113 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -23.417 23.351 10.670 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -24.830 23.018 11.651 1.00 0.00 H new ATOM 624 N ARG B 22 -24.082 23.921 7.217 1.00 0.00 N ATOM 625 CA ARG B 22 -22.880 24.673 6.795 1.00 0.00 C ATOM 626 C ARG B 22 -23.121 25.798 5.781 1.00 0.00 C ATOM 627 O ARG B 22 -22.235 26.620 5.568 1.00 0.00 O ATOM 628 CB ARG B 22 -21.853 23.648 6.281 1.00 0.00 C ATOM 629 CG ARG B 22 -21.216 22.856 7.442 1.00 0.00 C ATOM 630 CD ARG B 22 -20.829 21.424 7.062 1.00 0.00 C ATOM 631 NE ARG B 22 -19.923 21.373 5.904 1.00 0.00 N ATOM 632 CZ ARG B 22 -19.440 20.295 5.324 1.00 0.00 C ATOM 633 NH1 ARG B 22 -19.602 19.090 5.814 1.00 0.00 N ATOM 634 NH2 ARG B 22 -18.799 20.444 4.208 1.00 0.00 N ATOM 0 H ARG B 22 -24.405 23.244 6.526 1.00 0.00 H new ATOM 0 HA ARG B 22 -22.509 25.214 7.666 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.340 22.958 5.592 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.073 24.163 5.719 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -20.328 23.385 7.788 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -21.915 22.826 8.278 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -20.351 20.942 7.915 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.731 20.855 6.839 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.639 22.269 5.508 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.122 18.958 6.682 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.208 18.284 5.328 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.682 21.375 3.807 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -18.411 19.631 3.730 1.00 0.00 H new ATOM 648 N GLY B 23 -24.294 25.850 5.143 1.00 0.00 N ATOM 649 CA GLY B 23 -24.534 26.693 3.957 1.00 0.00 C ATOM 650 C GLY B 23 -23.843 26.165 2.687 1.00 0.00 C ATOM 651 O GLY B 23 -23.142 25.157 2.734 1.00 0.00 O ATOM 0 H GLY B 23 -25.109 25.309 5.431 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.607 26.760 3.778 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -24.182 27.704 4.161 1.00 0.00 H new ATOM 655 N PHE B 24 -24.076 26.793 1.527 1.00 0.00 N ATOM 656 CA PHE B 24 -23.637 26.270 0.221 1.00 0.00 C ATOM 657 C PHE B 24 -23.059 27.390 -0.655 1.00 0.00 C ATOM 658 O PHE B 24 -23.720 28.403 -0.885 1.00 0.00 O ATOM 659 CB PHE B 24 -24.796 25.531 -0.488 1.00 0.00 C ATOM 660 CG PHE B 24 -25.834 24.878 0.416 1.00 0.00 C ATOM 661 CD1 PHE B 24 -25.478 23.834 1.293 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.153 25.369 0.432 1.00 0.00 C ATOM 663 CE1 PHE B 24 -26.411 23.325 2.213 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.098 24.838 1.327 1.00 0.00 C ATOM 665 CZ PHE B 24 -27.724 23.827 2.227 1.00 0.00 C ATOM 0 H PHE B 24 -24.575 27.680 1.465 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.839 25.548 0.391 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.307 26.241 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.369 24.761 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -24.480 23.422 1.258 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.441 26.158 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -26.120 22.550 2.907 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.113 25.208 1.322 1.00 0.00 H new ATOM 0 HZ PHE B 24 -28.445 23.435 2.930 1.00 0.00 H new ATOM 675 N PHE B 25 -21.828 27.230 -1.143 1.00 0.00 N ATOM 676 CA PHE B 25 -21.063 28.354 -1.686 1.00 0.00 C ATOM 677 C PHE B 25 -21.532 28.816 -3.069 1.00 0.00 C ATOM 678 O PHE B 25 -21.667 30.017 -3.269 1.00 0.00 O ATOM 679 CB PHE B 25 -19.566 28.033 -1.709 1.00 0.00 C ATOM 680 CG PHE B 25 -18.729 29.282 -1.912 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.216 29.614 -3.180 1.00 0.00 C ATOM 682 CD2 PHE B 25 -18.518 30.151 -0.825 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.462 30.791 -3.345 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.757 31.320 -0.987 1.00 0.00 C ATOM 685 CZ PHE B 25 -17.219 31.631 -2.246 1.00 0.00 C ATOM 0 H PHE B 25 -21.340 26.335 -1.174 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.247 29.189 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.282 27.553 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.358 27.321 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.401 28.967 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.944 29.917 0.140 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.070 31.048 -4.318 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.586 31.977 -0.147 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.617 32.519 -2.370 1.00 0.00 H new ATOM 695 N TYR B 26 -21.792 27.890 -4.004 1.00 0.00 N ATOM 696 CA TYR B 26 -22.164 28.147 -5.411 1.00 0.00 C ATOM 697 C TYR B 26 -21.152 28.956 -6.257 1.00 0.00 C ATOM 698 O TYR B 26 -20.523 29.912 -5.812 1.00 0.00 O ATOM 699 CB TYR B 26 -23.589 28.721 -5.518 1.00 0.00 C ATOM 700 CG TYR B 26 -24.668 27.658 -5.449 1.00 0.00 C ATOM 701 CD1 TYR B 26 -25.392 27.316 -6.609 1.00 0.00 C ATOM 702 CD2 TYR B 26 -24.925 26.986 -4.239 1.00 0.00 C ATOM 703 CE1 TYR B 26 -26.364 26.300 -6.563 1.00 0.00 C ATOM 704 CE2 TYR B 26 -25.883 25.953 -4.194 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.612 25.618 -5.351 1.00 0.00 C ATOM 706 OH TYR B 26 -27.564 24.651 -5.292 1.00 0.00 O ATOM 0 H TYR B 26 -21.748 26.893 -3.794 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.137 27.159 -5.871 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.745 29.441 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.685 29.266 -6.457 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -25.200 27.836 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -24.387 27.262 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.919 26.042 -7.453 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.058 25.418 -3.272 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.152 23.802 -5.029 1.00 0.00 H new ATOM 716 N THR B 27 -21.009 28.575 -7.533 1.00 0.00 N ATOM 717 CA THR B 27 -20.087 29.206 -8.501 1.00 0.00 C ATOM 718 C THR B 27 -20.690 29.249 -9.924 1.00 0.00 C ATOM 719 O THR B 27 -21.584 28.448 -10.230 1.00 0.00 O ATOM 720 CB THR B 27 -18.704 28.513 -8.509 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.800 27.171 -8.931 1.00 0.00 O ATOM 722 CG2 THR B 27 -18.014 28.508 -7.143 1.00 0.00 C ATOM 0 H THR B 27 -21.540 27.803 -7.935 1.00 0.00 H new ATOM 0 HA THR B 27 -19.942 30.235 -8.172 1.00 0.00 H new ATOM 0 HB THR B 27 -18.109 29.103 -9.206 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.909 26.762 -8.926 1.00 0.00 H new ATOM 0 HG21 THR B 27 -17.050 28.006 -7.224 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.862 29.534 -6.808 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.638 27.980 -6.422 1.00 0.00 H new ATOM 730 N PRO B 28 -20.221 30.151 -10.819 1.00 0.00 N ATOM 731 CA PRO B 28 -19.231 31.218 -10.601 1.00 0.00 C ATOM 732 C PRO B 28 -19.752 32.344 -9.694 1.00 0.00 C ATOM 733 O PRO B 28 -20.884 32.799 -9.832 1.00 0.00 O ATOM 734 CB PRO B 28 -18.895 31.759 -11.996 1.00 0.00 C ATOM 735 CG PRO B 28 -20.187 31.535 -12.777 1.00 0.00 C ATOM 736 CD PRO B 28 -20.708 30.221 -12.193 1.00 0.00 C ATOM 0 HA PRO B 28 -18.357 30.820 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.622 32.814 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.056 31.226 -12.444 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -20.895 32.351 -12.632 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.004 31.458 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.797 30.191 -12.220 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.351 29.371 -12.774 1.00 0.00 H new ATOM 744 N LYS B 29 -18.904 32.778 -8.758 1.00 0.00 N ATOM 745 CA LYS B 29 -19.122 33.857 -7.780 1.00 0.00 C ATOM 746 C LYS B 29 -17.766 34.191 -7.125 1.00 0.00 C ATOM 747 O LYS B 29 -16.845 33.379 -7.228 1.00 0.00 O ATOM 748 CB LYS B 29 -20.135 33.374 -6.718 1.00 0.00 C ATOM 749 CG LYS B 29 -20.720 34.497 -5.834 1.00 0.00 C ATOM 750 CD LYS B 29 -21.745 34.013 -4.794 1.00 0.00 C ATOM 751 CE LYS B 29 -21.424 32.670 -4.124 1.00 0.00 C ATOM 752 NZ LYS B 29 -20.166 32.646 -3.338 1.00 0.00 N ATOM 0 H LYS B 29 -17.981 32.358 -8.653 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.522 34.749 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -20.954 32.862 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.647 32.640 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.903 34.999 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.194 35.240 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -21.836 34.773 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.718 33.934 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -22.251 32.403 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.368 31.901 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.574 31.851 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.651 33.538 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -20.389 32.532 -2.329 1.00 0.00 H new