USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 39 HIS : no HE2:sc= -5.61! C(o=-6.3!,f=-7.9!) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= -0.67 F(o=-8.1,f=-6.3) USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 SER OG : rot 69:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -96:sc= 0.01 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -2:sc= 0.314 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -15:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -67:sc= 0.848 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0724 (180deg=-0.457) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 168:sc= -2.27! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 150:sc= 0.408 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0.529 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0263 F(o=-0.78,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.263 0.932 -17.393 1.00 0.00 N ATOM 2 CA GLY A 1 13.171 -0.031 -17.152 1.00 0.00 C ATOM 3 C GLY A 1 11.865 0.678 -16.915 1.00 0.00 C ATOM 4 O GLY A 1 11.830 1.702 -16.235 1.00 0.00 O ATOM 0 H1 GLY A 1 14.398 1.055 -18.417 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.020 1.847 -16.964 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.142 0.573 -16.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.076 -0.699 -18.008 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.413 -0.652 -16.289 1.00 0.00 H new ATOM 10 N GLU A 2 10.793 0.143 -17.464 1.00 0.00 N ATOM 11 CA GLU A 2 9.488 0.771 -17.351 1.00 0.00 C ATOM 12 C GLU A 2 8.855 0.463 -16.020 1.00 0.00 C ATOM 13 O GLU A 2 8.757 -0.703 -15.636 1.00 0.00 O ATOM 14 CB GLU A 2 8.552 0.241 -18.417 1.00 0.00 C ATOM 15 CG GLU A 2 9.030 0.396 -19.834 1.00 0.00 C ATOM 16 CD GLU A 2 8.029 -0.181 -20.796 1.00 0.00 C ATOM 17 OE1 GLU A 2 7.091 0.541 -21.184 1.00 0.00 O ATOM 18 OE2 GLU A 2 8.152 -1.378 -21.141 1.00 0.00 O ATOM 0 H GLU A 2 10.798 -0.728 -17.995 1.00 0.00 H new ATOM 0 HA GLU A 2 9.640 1.845 -17.462 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.374 -0.817 -18.226 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.592 0.749 -18.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.190 1.451 -20.056 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.991 -0.105 -19.956 1.00 0.00 H new ATOM 25 N PHE A 3 8.458 1.493 -15.298 1.00 0.00 N ATOM 26 CA PHE A 3 7.674 1.289 -14.102 1.00 0.00 C ATOM 27 C PHE A 3 6.341 0.668 -14.514 1.00 0.00 C ATOM 28 O PHE A 3 5.908 -0.350 -13.964 1.00 0.00 O ATOM 29 CB PHE A 3 7.453 2.617 -13.363 1.00 0.00 C ATOM 30 CG PHE A 3 6.628 2.488 -12.108 1.00 0.00 C ATOM 31 CD1 PHE A 3 7.188 1.983 -10.945 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.297 2.875 -12.092 1.00 0.00 C ATOM 33 CE1 PHE A 3 6.438 1.866 -9.791 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.541 2.761 -10.941 1.00 0.00 C ATOM 35 CZ PHE A 3 5.112 2.254 -9.790 1.00 0.00 C ATOM 0 H PHE A 3 8.664 2.468 -15.517 1.00 0.00 H new ATOM 0 HA PHE A 3 8.200 0.624 -13.418 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.422 3.044 -13.106 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.963 3.320 -14.037 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.224 1.677 -10.941 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.845 3.270 -12.990 1.00 0.00 H new ATOM 0 HE1 PHE A 3 6.887 1.472 -8.891 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.505 3.068 -10.941 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.522 2.161 -8.890 1.00 0.00 H new ATOM 45 N GLY A 4 5.718 1.296 -15.523 1.00 0.00 N ATOM 46 CA GLY A 4 4.469 0.820 -16.081 1.00 0.00 C ATOM 47 C GLY A 4 3.393 0.636 -15.045 1.00 0.00 C ATOM 48 O GLY A 4 3.166 1.505 -14.199 1.00 0.00 O ATOM 0 H GLY A 4 6.074 2.144 -15.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.122 1.526 -16.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.643 -0.129 -16.589 1.00 0.00 H new ATOM 52 N SER A 5 2.731 -0.490 -15.112 1.00 0.00 N ATOM 53 CA SER A 5 1.711 -0.834 -14.166 1.00 0.00 C ATOM 54 C SER A 5 1.966 -2.232 -13.640 1.00 0.00 C ATOM 55 O SER A 5 2.425 -3.105 -14.380 1.00 0.00 O ATOM 56 CB SER A 5 0.333 -0.740 -14.817 1.00 0.00 C ATOM 57 OG SER A 5 0.083 0.582 -15.272 1.00 0.00 O ATOM 0 H SER A 5 2.888 -1.196 -15.831 1.00 0.00 H new ATOM 0 HA SER A 5 1.736 -0.133 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.272 -1.436 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.434 -1.035 -14.101 1.00 0.00 H new ATOM 0 HG SER A 5 -0.804 0.623 -15.688 1.00 0.00 H new ATOM 63 N MET A 6 1.700 -2.439 -12.371 1.00 0.00 N ATOM 64 CA MET A 6 1.911 -3.732 -11.758 1.00 0.00 C ATOM 65 C MET A 6 0.673 -4.145 -10.996 1.00 0.00 C ATOM 66 O MET A 6 0.053 -3.321 -10.321 1.00 0.00 O ATOM 67 CB MET A 6 3.120 -3.685 -10.814 1.00 0.00 C ATOM 68 CG MET A 6 4.434 -3.355 -11.509 1.00 0.00 C ATOM 69 SD MET A 6 5.822 -3.233 -10.365 1.00 0.00 S ATOM 70 CE MET A 6 7.142 -2.782 -11.491 1.00 0.00 C ATOM 0 H MET A 6 1.335 -1.726 -11.740 1.00 0.00 H new ATOM 0 HA MET A 6 2.110 -4.464 -12.540 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.934 -2.942 -10.038 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.217 -4.649 -10.315 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.649 -4.123 -12.252 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.328 -2.412 -12.046 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.072 -2.668 -10.934 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.262 -3.562 -12.242 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.896 -1.840 -11.982 1.00 0.00 H new ATOM 80 N VAL A 7 0.307 -5.409 -11.103 1.00 0.00 N ATOM 81 CA VAL A 7 -0.856 -5.907 -10.398 1.00 0.00 C ATOM 82 C VAL A 7 -0.550 -6.072 -8.917 1.00 0.00 C ATOM 83 O VAL A 7 0.182 -6.975 -8.507 1.00 0.00 O ATOM 84 CB VAL A 7 -1.394 -7.235 -11.002 1.00 0.00 C ATOM 85 CG1 VAL A 7 -2.021 -6.975 -12.358 1.00 0.00 C ATOM 86 CG2 VAL A 7 -0.285 -8.275 -11.130 1.00 0.00 C ATOM 0 H VAL A 7 0.795 -6.104 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.646 -5.165 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.151 -7.630 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.394 -7.912 -12.772 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.847 -6.272 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.273 -6.554 -13.030 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.693 -9.192 -11.555 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.500 -7.891 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.131 -8.486 -10.145 1.00 0.00 H new ATOM 96 N LYS A 8 -1.076 -5.166 -8.127 1.00 0.00 N ATOM 97 CA LYS A 8 -0.856 -5.177 -6.702 1.00 0.00 C ATOM 98 C LYS A 8 -1.670 -6.262 -6.024 1.00 0.00 C ATOM 99 O LYS A 8 -2.897 -6.293 -6.127 1.00 0.00 O ATOM 100 CB LYS A 8 -1.196 -3.810 -6.119 1.00 0.00 C ATOM 101 CG LYS A 8 -0.269 -2.704 -6.593 1.00 0.00 C ATOM 102 CD LYS A 8 -0.633 -1.367 -5.977 1.00 0.00 C ATOM 103 CE LYS A 8 0.302 -0.269 -6.458 1.00 0.00 C ATOM 104 NZ LYS A 8 -0.036 1.044 -5.862 1.00 0.00 N ATOM 0 H LYS A 8 -1.667 -4.402 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 8 0.196 -5.395 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.221 -3.554 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.155 -3.867 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.760 -2.956 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.317 -2.630 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.661 -1.112 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.586 -1.439 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.329 -0.530 -6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.251 -0.199 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.624 1.766 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.008 1.305 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.038 0.984 -4.826 1.00 0.00 H new ATOM 118 N GLU A 9 -0.977 -7.160 -5.344 1.00 0.00 N ATOM 119 CA GLU A 9 -1.608 -8.247 -4.627 1.00 0.00 C ATOM 120 C GLU A 9 -1.228 -8.212 -3.146 1.00 0.00 C ATOM 121 O GLU A 9 -0.050 -8.090 -2.807 1.00 0.00 O ATOM 122 CB GLU A 9 -1.179 -9.575 -5.251 1.00 0.00 C ATOM 123 CG GLU A 9 -1.730 -10.809 -4.565 1.00 0.00 C ATOM 124 CD GLU A 9 -1.278 -12.082 -5.239 1.00 0.00 C ATOM 125 OE1 GLU A 9 -2.135 -12.908 -5.603 1.00 0.00 O ATOM 126 OE2 GLU A 9 -0.052 -12.260 -5.426 1.00 0.00 O ATOM 0 H GLU A 9 0.041 -7.153 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.690 -8.141 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.492 -9.587 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.090 -9.628 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.410 -10.817 -3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.819 -10.767 -4.564 1.00 0.00 H new ATOM 133 N THR A 10 -2.253 -8.268 -2.280 1.00 0.00 N ATOM 134 CA THR A 10 -2.102 -8.325 -0.799 1.00 0.00 C ATOM 135 C THR A 10 -1.236 -7.186 -0.224 1.00 0.00 C ATOM 136 O THR A 10 -0.738 -7.271 0.899 1.00 0.00 O ATOM 137 CB THR A 10 -1.570 -9.707 -0.318 1.00 0.00 C ATOM 138 OG1 THR A 10 -0.284 -9.991 -0.888 1.00 0.00 O ATOM 139 CG2 THR A 10 -2.549 -10.808 -0.696 1.00 0.00 C ATOM 0 H THR A 10 -3.227 -8.276 -2.583 1.00 0.00 H new ATOM 0 HA THR A 10 -3.109 -8.186 -0.407 1.00 0.00 H new ATOM 0 HB THR A 10 -1.469 -9.668 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.026 -9.263 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.165 -11.769 -0.354 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.513 -10.614 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.671 -10.830 -1.779 1.00 0.00 H new ATOM 147 N LYS A 11 -1.122 -6.116 -0.988 1.00 0.00 N ATOM 148 CA LYS A 11 -0.321 -4.950 -0.611 1.00 0.00 C ATOM 149 C LYS A 11 -0.794 -4.342 0.667 1.00 0.00 C ATOM 150 O LYS A 11 -0.008 -3.850 1.445 1.00 0.00 O ATOM 151 CB LYS A 11 -0.366 -3.910 -1.685 1.00 0.00 C ATOM 152 CG LYS A 11 0.139 -4.409 -2.996 1.00 0.00 C ATOM 153 CD LYS A 11 1.577 -4.890 -2.902 1.00 0.00 C ATOM 154 CE LYS A 11 2.068 -5.420 -4.235 1.00 0.00 C ATOM 155 NZ LYS A 11 3.432 -5.985 -4.140 1.00 0.00 N ATOM 0 H LYS A 11 -1.582 -6.024 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 11 0.702 -5.300 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.392 -3.563 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.228 -3.050 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.495 -5.225 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.070 -3.614 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.217 -4.070 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.653 -5.672 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.382 -6.187 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.060 -4.615 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.728 -6.336 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.092 -5.247 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.436 -6.770 -3.458 1.00 0.00 H new ATOM 169 N PHE A 12 -2.073 -4.396 0.891 1.00 0.00 N ATOM 170 CA PHE A 12 -2.626 -3.846 2.115 1.00 0.00 C ATOM 171 C PHE A 12 -2.164 -4.639 3.334 1.00 0.00 C ATOM 172 O PHE A 12 -1.962 -4.069 4.410 1.00 0.00 O ATOM 173 CB PHE A 12 -4.146 -3.714 2.073 1.00 0.00 C ATOM 174 CG PHE A 12 -4.615 -2.467 1.371 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.502 -2.527 0.314 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.167 -1.226 1.792 1.00 0.00 C ATOM 177 CE1 PHE A 12 -5.938 -1.370 -0.306 1.00 0.00 C ATOM 178 CE2 PHE A 12 -4.592 -0.072 1.177 1.00 0.00 C ATOM 179 CZ PHE A 12 -5.478 -0.140 0.131 1.00 0.00 C ATOM 0 H PHE A 12 -2.756 -4.809 0.256 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.236 -2.832 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.566 -4.585 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.533 -3.716 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.858 -3.486 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.473 -1.164 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.635 -1.426 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.229 0.887 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.816 0.766 -0.351 1.00 0.00 H new ATOM 189 N TYR A 13 -1.977 -5.952 3.161 1.00 0.00 N ATOM 190 CA TYR A 13 -1.470 -6.769 4.248 1.00 0.00 C ATOM 191 C TYR A 13 -0.014 -6.391 4.502 1.00 0.00 C ATOM 192 O TYR A 13 0.406 -6.217 5.642 1.00 0.00 O ATOM 193 CB TYR A 13 -1.569 -8.268 3.924 1.00 0.00 C ATOM 194 CG TYR A 13 -2.981 -8.791 3.764 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.540 -8.961 2.509 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.746 -9.130 4.871 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.820 -9.452 2.359 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.027 -9.620 4.730 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.559 -9.780 3.471 1.00 0.00 C ATOM 200 OH TYR A 13 -6.833 -10.267 3.326 1.00 0.00 O ATOM 0 H TYR A 13 -2.167 -6.456 2.295 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.075 -6.585 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.018 -8.464 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.076 -8.830 4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.964 -8.705 1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.331 -9.008 5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.240 -9.578 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.609 -9.877 5.602 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.147 -10.096 2.413 1.00 0.00 H new ATOM 210 N ASP A 14 0.738 -6.239 3.410 1.00 0.00 N ATOM 211 CA ASP A 14 2.145 -5.816 3.473 1.00 0.00 C ATOM 212 C ASP A 14 2.300 -4.453 4.103 1.00 0.00 C ATOM 213 O ASP A 14 3.197 -4.233 4.914 1.00 0.00 O ATOM 214 CB ASP A 14 2.759 -5.778 2.076 1.00 0.00 C ATOM 215 CG ASP A 14 3.098 -7.143 1.532 1.00 0.00 C ATOM 216 OD1 ASP A 14 4.181 -7.678 1.880 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.299 -7.694 0.759 1.00 0.00 O ATOM 0 H ASP A 14 0.396 -6.403 2.463 1.00 0.00 H new ATOM 0 HA ASP A 14 2.662 -6.549 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.064 -5.286 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.664 -5.171 2.101 1.00 0.00 H new ATOM 222 N ILE A 15 1.432 -3.542 3.727 1.00 0.00 N ATOM 223 CA ILE A 15 1.464 -2.193 4.249 1.00 0.00 C ATOM 224 C ILE A 15 1.265 -2.173 5.768 1.00 0.00 C ATOM 225 O ILE A 15 2.022 -1.513 6.487 1.00 0.00 O ATOM 226 CB ILE A 15 0.423 -1.302 3.528 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.869 -1.035 2.084 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.178 0.004 4.277 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.191 -0.370 1.229 1.00 0.00 C ATOM 0 H ILE A 15 0.686 -3.713 3.053 1.00 0.00 H new ATOM 0 HA ILE A 15 2.453 -1.780 4.051 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.525 -1.839 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.758 -0.405 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.155 -1.980 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.558 0.600 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.194 -0.215 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.112 0.562 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.198 -0.214 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.073 -1.008 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.461 0.591 1.667 1.00 0.00 H new ATOM 241 N LEU A 16 0.256 -2.887 6.257 1.00 0.00 N ATOM 242 CA LEU A 16 0.062 -3.009 7.702 1.00 0.00 C ATOM 243 C LEU A 16 1.171 -3.833 8.365 1.00 0.00 C ATOM 244 O LEU A 16 1.504 -3.611 9.528 1.00 0.00 O ATOM 245 CB LEU A 16 -1.313 -3.593 8.053 1.00 0.00 C ATOM 246 CG LEU A 16 -2.532 -2.713 7.746 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.809 -3.449 8.105 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.447 -1.397 8.506 1.00 0.00 C ATOM 0 H LEU A 16 -0.430 -3.383 5.688 1.00 0.00 H new ATOM 0 HA LEU A 16 0.110 -1.995 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.430 -4.535 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.322 -3.828 9.117 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.542 -2.492 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.668 -2.816 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.875 -4.368 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.802 -3.693 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.320 -0.787 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.417 -1.597 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.543 -0.864 8.210 1.00 0.00 H new ATOM 260 N GLY A 17 1.765 -4.748 7.618 1.00 0.00 N ATOM 261 CA GLY A 17 2.791 -5.603 8.185 1.00 0.00 C ATOM 262 C GLY A 17 2.201 -6.888 8.720 1.00 0.00 C ATOM 263 O GLY A 17 2.789 -7.557 9.572 1.00 0.00 O ATOM 0 H GLY A 17 1.558 -4.916 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.538 -5.832 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.305 -5.074 8.988 1.00 0.00 H new ATOM 267 N VAL A 18 1.028 -7.213 8.226 1.00 0.00 N ATOM 268 CA VAL A 18 0.307 -8.406 8.630 1.00 0.00 C ATOM 269 C VAL A 18 0.346 -9.466 7.520 1.00 0.00 C ATOM 270 O VAL A 18 0.560 -9.140 6.346 1.00 0.00 O ATOM 271 CB VAL A 18 -1.168 -8.082 8.976 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.243 -7.173 10.180 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.877 -7.448 7.788 1.00 0.00 C ATOM 0 H VAL A 18 0.540 -6.654 7.526 1.00 0.00 H new ATOM 0 HA VAL A 18 0.799 -8.796 9.521 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.673 -9.018 9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.287 -6.956 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.779 -7.663 11.036 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.718 -6.242 9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.911 -7.230 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.370 -6.523 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.858 -8.137 6.943 1.00 0.00 H new ATOM 283 N PRO A 19 0.161 -10.750 7.874 1.00 0.00 N ATOM 284 CA PRO A 19 0.121 -11.843 6.892 1.00 0.00 C ATOM 285 C PRO A 19 -1.157 -11.774 6.069 1.00 0.00 C ATOM 286 O PRO A 19 -2.091 -11.079 6.445 1.00 0.00 O ATOM 287 CB PRO A 19 0.102 -13.100 7.768 1.00 0.00 C ATOM 288 CG PRO A 19 -0.529 -12.652 9.034 1.00 0.00 C ATOM 289 CD PRO A 19 -0.040 -11.247 9.256 1.00 0.00 C ATOM 0 HA PRO A 19 0.952 -11.811 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.469 -13.902 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.109 -13.482 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.616 -12.682 8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.247 -13.301 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.768 -10.646 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.885 -11.226 9.832 1.00 0.00 H new ATOM 297 N VAL A 20 -1.209 -12.474 4.947 1.00 0.00 N ATOM 298 CA VAL A 20 -2.426 -12.505 4.145 1.00 0.00 C ATOM 299 C VAL A 20 -3.541 -13.213 4.938 1.00 0.00 C ATOM 300 O VAL A 20 -4.732 -13.010 4.702 1.00 0.00 O ATOM 301 CB VAL A 20 -2.195 -13.221 2.781 1.00 0.00 C ATOM 302 CG1 VAL A 20 -1.847 -14.689 2.976 1.00 0.00 C ATOM 303 CG2 VAL A 20 -3.411 -13.074 1.880 1.00 0.00 C ATOM 0 H VAL A 20 -0.435 -13.022 4.573 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.722 -11.479 3.929 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.346 -12.739 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.692 -15.158 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.936 -14.771 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.664 -15.191 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.226 -13.582 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.280 -13.518 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.600 -12.017 1.694 1.00 0.00 H new ATOM 313 N THR A 21 -3.119 -14.025 5.899 1.00 0.00 N ATOM 314 CA THR A 21 -4.017 -14.752 6.772 1.00 0.00 C ATOM 315 C THR A 21 -4.177 -13.987 8.095 1.00 0.00 C ATOM 316 O THR A 21 -4.463 -14.570 9.141 1.00 0.00 O ATOM 317 CB THR A 21 -3.447 -16.154 7.063 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.834 -16.668 5.873 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.547 -17.113 7.506 1.00 0.00 C ATOM 0 H THR A 21 -2.132 -14.196 6.092 1.00 0.00 H new ATOM 0 HA THR A 21 -4.986 -14.851 6.283 1.00 0.00 H new ATOM 0 HB THR A 21 -2.715 -16.068 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.468 -17.559 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.116 -18.094 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.017 -16.733 8.413 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.295 -17.198 6.718 1.00 0.00 H new ATOM 327 N ALA A 22 -3.983 -12.675 8.029 1.00 0.00 N ATOM 328 CA ALA A 22 -4.059 -11.815 9.197 1.00 0.00 C ATOM 329 C ALA A 22 -5.407 -11.867 9.868 1.00 0.00 C ATOM 330 O ALA A 22 -6.449 -11.963 9.215 1.00 0.00 O ATOM 331 CB ALA A 22 -3.741 -10.385 8.823 1.00 0.00 C ATOM 0 H ALA A 22 -3.769 -12.180 7.163 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.320 -12.188 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.803 -9.755 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.734 -10.332 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.457 -10.036 8.079 1.00 0.00 H new ATOM 337 N THR A 23 -5.368 -11.785 11.168 1.00 0.00 N ATOM 338 CA THR A 23 -6.546 -11.761 11.978 1.00 0.00 C ATOM 339 C THR A 23 -6.850 -10.322 12.376 1.00 0.00 C ATOM 340 O THR A 23 -5.978 -9.453 12.268 1.00 0.00 O ATOM 341 CB THR A 23 -6.352 -12.625 13.236 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.148 -12.225 13.915 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.267 -14.099 12.872 1.00 0.00 C ATOM 0 H THR A 23 -4.500 -11.732 11.701 1.00 0.00 H new ATOM 0 HA THR A 23 -7.381 -12.168 11.408 1.00 0.00 H new ATOM 0 HB THR A 23 -7.211 -12.480 13.892 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.371 -12.448 13.361 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.130 -14.690 13.778 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.188 -14.405 12.375 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.422 -14.260 12.202 1.00 0.00 H new ATOM 351 N ASP A 24 -8.063 -10.074 12.853 1.00 0.00 N ATOM 352 CA ASP A 24 -8.493 -8.734 13.245 1.00 0.00 C ATOM 353 C ASP A 24 -7.545 -8.137 14.265 1.00 0.00 C ATOM 354 O ASP A 24 -7.232 -6.955 14.208 1.00 0.00 O ATOM 355 CB ASP A 24 -9.892 -8.797 13.853 1.00 0.00 C ATOM 356 CG ASP A 24 -10.914 -9.350 12.900 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.361 -8.613 12.013 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.260 -10.550 13.027 1.00 0.00 O ATOM 0 H ASP A 24 -8.776 -10.792 12.980 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.497 -8.107 12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.866 -9.415 14.750 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.194 -7.797 14.163 1.00 0.00 H new ATOM 363 N VAL A 25 -7.065 -8.966 15.180 1.00 0.00 N ATOM 364 CA VAL A 25 -6.170 -8.513 16.239 1.00 0.00 C ATOM 365 C VAL A 25 -4.867 -7.972 15.652 1.00 0.00 C ATOM 366 O VAL A 25 -4.392 -6.905 16.039 1.00 0.00 O ATOM 367 CB VAL A 25 -5.849 -9.663 17.220 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.781 -9.248 18.223 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.108 -10.121 17.933 1.00 0.00 C ATOM 0 H VAL A 25 -7.281 -9.962 15.212 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.679 -7.715 16.780 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.456 -10.500 16.642 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.576 -10.077 18.900 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.868 -8.979 17.692 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.134 -8.390 18.796 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.863 -10.931 18.620 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.533 -9.288 18.492 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.833 -10.474 17.200 1.00 0.00 H new ATOM 379 N GLU A 26 -4.317 -8.705 14.692 1.00 0.00 N ATOM 380 CA GLU A 26 -3.067 -8.328 14.042 1.00 0.00 C ATOM 381 C GLU A 26 -3.279 -7.065 13.259 1.00 0.00 C ATOM 382 O GLU A 26 -2.437 -6.180 13.234 1.00 0.00 O ATOM 383 CB GLU A 26 -2.617 -9.451 13.123 1.00 0.00 C ATOM 384 CG GLU A 26 -2.251 -10.707 13.873 1.00 0.00 C ATOM 385 CD GLU A 26 -1.944 -11.855 12.962 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.761 -12.237 12.859 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.888 -12.402 12.363 1.00 0.00 O ATOM 0 H GLU A 26 -4.722 -9.574 14.343 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.294 -8.156 14.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.414 -9.676 12.414 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.758 -9.117 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.386 -10.509 14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.072 -10.983 14.534 1.00 0.00 H new ATOM 394 N ILE A 27 -4.429 -6.994 12.646 1.00 0.00 N ATOM 395 CA ILE A 27 -4.833 -5.870 11.849 1.00 0.00 C ATOM 396 C ILE A 27 -4.955 -4.597 12.700 1.00 0.00 C ATOM 397 O ILE A 27 -4.482 -3.531 12.303 1.00 0.00 O ATOM 398 CB ILE A 27 -6.165 -6.191 11.129 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.915 -7.273 10.067 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.766 -4.938 10.498 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.172 -7.876 9.491 1.00 0.00 C ATOM 0 H ILE A 27 -5.128 -7.736 12.689 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.065 -5.682 11.098 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.884 -6.561 11.860 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.328 -6.842 9.256 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.314 -8.068 10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.701 -5.194 9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.960 -4.197 11.274 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.067 -4.527 9.770 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.907 -8.630 8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.752 -8.340 10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.766 -7.095 9.017 1.00 0.00 H new ATOM 413 N LYS A 28 -5.573 -4.723 13.876 1.00 0.00 N ATOM 414 CA LYS A 28 -5.760 -3.582 14.774 1.00 0.00 C ATOM 415 C LYS A 28 -4.419 -3.033 15.240 1.00 0.00 C ATOM 416 O LYS A 28 -4.179 -1.827 15.207 1.00 0.00 O ATOM 417 CB LYS A 28 -6.558 -4.006 16.021 1.00 0.00 C ATOM 418 CG LYS A 28 -7.986 -4.461 15.766 1.00 0.00 C ATOM 419 CD LYS A 28 -8.859 -3.328 15.278 1.00 0.00 C ATOM 420 CE LYS A 28 -10.307 -3.769 15.146 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.876 -4.216 16.448 1.00 0.00 N ATOM 0 H LYS A 28 -5.952 -5.602 14.228 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.302 -2.816 14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.021 -4.815 16.516 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.582 -3.167 16.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.985 -5.263 15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.405 -4.873 16.684 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.793 -2.490 15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.494 -2.974 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.903 -2.944 14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.374 -4.582 14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.914 -4.216 16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.541 -5.177 16.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.570 -3.568 17.201 1.00 0.00 H new ATOM 435 N LYS A 29 -3.540 -3.933 15.653 1.00 0.00 N ATOM 436 CA LYS A 29 -2.250 -3.536 16.175 1.00 0.00 C ATOM 437 C LYS A 29 -1.294 -3.069 15.095 1.00 0.00 C ATOM 438 O LYS A 29 -0.504 -2.151 15.315 1.00 0.00 O ATOM 439 CB LYS A 29 -1.658 -4.615 17.089 1.00 0.00 C ATOM 440 CG LYS A 29 -1.454 -5.975 16.449 1.00 0.00 C ATOM 441 CD LYS A 29 -0.938 -6.966 17.489 1.00 0.00 C ATOM 442 CE LYS A 29 -0.741 -8.359 16.919 1.00 0.00 C ATOM 443 NZ LYS A 29 -0.254 -9.308 17.954 1.00 0.00 N ATOM 0 H LYS A 29 -3.700 -4.940 15.635 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.414 -2.658 16.800 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.697 -4.262 17.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.313 -4.734 17.952 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.393 -6.333 16.027 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.744 -5.896 15.625 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.008 -6.605 17.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.641 -7.014 18.321 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.683 -8.721 16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.027 -8.319 16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.130 -10.250 17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.657 -8.975 18.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.947 -9.364 18.727 1.00 0.00 H new ATOM 457 N ALA A 30 -1.356 -3.686 13.937 1.00 0.00 N ATOM 458 CA ALA A 30 -0.572 -3.244 12.815 1.00 0.00 C ATOM 459 C ALA A 30 -0.993 -1.854 12.413 1.00 0.00 C ATOM 460 O ALA A 30 -0.158 -1.003 12.125 1.00 0.00 O ATOM 461 CB ALA A 30 -0.718 -4.194 11.652 1.00 0.00 C ATOM 0 H ALA A 30 -1.945 -4.498 13.751 1.00 0.00 H new ATOM 0 HA ALA A 30 0.478 -3.227 13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.116 -3.840 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.379 -5.187 11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.765 -4.243 11.351 1.00 0.00 H new ATOM 467 N TYR A 31 -2.301 -1.622 12.407 1.00 0.00 N ATOM 468 CA TYR A 31 -2.835 -0.317 12.108 1.00 0.00 C ATOM 469 C TYR A 31 -2.389 0.688 13.140 1.00 0.00 C ATOM 470 O TYR A 31 -1.899 1.758 12.799 1.00 0.00 O ATOM 471 CB TYR A 31 -4.364 -0.346 12.013 1.00 0.00 C ATOM 472 CG TYR A 31 -4.993 1.036 11.925 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.840 1.824 10.791 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.739 1.546 12.981 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.413 3.082 10.714 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.315 2.800 12.910 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.149 3.563 11.776 1.00 0.00 C ATOM 478 OH TYR A 31 -6.725 4.817 11.701 1.00 0.00 O ATOM 0 H TYR A 31 -3.007 -2.331 12.608 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.446 -0.015 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.655 -0.925 11.137 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.764 -0.864 12.885 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.265 1.449 9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.871 0.952 13.873 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.284 3.684 9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.893 3.180 13.740 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.210 5.004 12.532 1.00 0.00 H new ATOM 488 N ARG A 32 -2.547 0.328 14.414 1.00 0.00 N ATOM 489 CA ARG A 32 -2.198 1.235 15.485 1.00 0.00 C ATOM 490 C ARG A 32 -0.715 1.578 15.446 1.00 0.00 C ATOM 491 O ARG A 32 -0.350 2.723 15.623 1.00 0.00 O ATOM 492 CB ARG A 32 -2.622 0.679 16.877 1.00 0.00 C ATOM 493 CG ARG A 32 -1.694 -0.377 17.476 1.00 0.00 C ATOM 494 CD ARG A 32 -0.628 0.252 18.363 1.00 0.00 C ATOM 495 NE ARG A 32 0.414 -0.703 18.743 1.00 0.00 N ATOM 496 CZ ARG A 32 1.328 -0.479 19.693 1.00 0.00 C ATOM 497 NH1 ARG A 32 1.276 0.631 20.433 1.00 0.00 N ATOM 498 NH2 ARG A 32 2.282 -1.371 19.912 1.00 0.00 N ATOM 0 H ARG A 32 -2.910 -0.575 14.718 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.758 2.157 15.330 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.693 1.513 17.575 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.621 0.251 16.789 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.279 -1.088 18.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.216 -0.939 16.674 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.173 1.093 17.840 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.097 0.652 19.262 1.00 0.00 H new ATOM 0 HE ARG A 32 0.445 -1.596 18.252 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.536 1.315 20.275 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.977 0.795 21.156 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.318 -2.226 19.357 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.981 -1.203 20.636 1.00 0.00 H new ATOM 512 N LYS A 33 0.143 0.592 15.172 1.00 0.00 N ATOM 513 CA LYS A 33 1.568 0.885 15.118 1.00 0.00 C ATOM 514 C LYS A 33 1.889 1.666 13.872 1.00 0.00 C ATOM 515 O LYS A 33 2.594 2.638 13.939 1.00 0.00 O ATOM 516 CB LYS A 33 2.440 -0.379 15.220 1.00 0.00 C ATOM 517 CG LYS A 33 2.433 -1.255 13.993 1.00 0.00 C ATOM 518 CD LYS A 33 3.304 -2.477 14.187 1.00 0.00 C ATOM 519 CE LYS A 33 3.311 -3.355 12.950 1.00 0.00 C ATOM 520 NZ LYS A 33 4.173 -4.541 13.127 1.00 0.00 N ATOM 0 H LYS A 33 -0.114 -0.378 14.991 1.00 0.00 H new ATOM 0 HA LYS A 33 1.808 1.492 15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.467 -0.079 15.428 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.101 -0.969 16.072 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.412 -1.565 13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.788 -0.685 13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.322 -2.166 14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.943 -3.051 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.294 -3.675 12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.660 -2.776 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.153 -5.117 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.149 -4.236 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.825 -5.107 13.928 1.00 0.00 H new ATOM 534 N CYS A 34 1.316 1.281 12.745 1.00 0.00 N ATOM 535 CA CYS A 34 1.598 1.984 11.502 1.00 0.00 C ATOM 536 C CYS A 34 1.169 3.443 11.604 1.00 0.00 C ATOM 537 O CYS A 34 1.934 4.355 11.265 1.00 0.00 O ATOM 538 CB CYS A 34 0.906 1.308 10.318 1.00 0.00 C ATOM 539 SG CYS A 34 1.266 2.074 8.718 1.00 0.00 S ATOM 0 H CYS A 34 0.664 0.501 12.662 1.00 0.00 H new ATOM 0 HA CYS A 34 2.674 1.947 11.332 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.207 0.261 10.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.171 1.324 10.483 1.00 0.00 H new ATOM 0 HG CYS A 34 0.854 1.296 7.762 1.00 0.00 H new ATOM 545 N ALA A 35 -0.052 3.657 12.078 1.00 0.00 N ATOM 546 CA ALA A 35 -0.579 4.995 12.243 1.00 0.00 C ATOM 547 C ALA A 35 0.218 5.788 13.277 1.00 0.00 C ATOM 548 O ALA A 35 0.635 6.882 13.015 1.00 0.00 O ATOM 549 CB ALA A 35 -2.046 4.932 12.644 1.00 0.00 C ATOM 0 H ALA A 35 -0.694 2.914 12.354 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.489 5.511 11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.434 5.943 12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.613 4.417 11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.143 4.390 13.585 1.00 0.00 H new ATOM 555 N LEU A 36 0.458 5.200 14.436 1.00 0.00 N ATOM 556 CA LEU A 36 1.196 5.890 15.491 1.00 0.00 C ATOM 557 C LEU A 36 2.624 6.202 15.071 1.00 0.00 C ATOM 558 O LEU A 36 3.148 7.275 15.366 1.00 0.00 O ATOM 559 CB LEU A 36 1.181 5.091 16.787 1.00 0.00 C ATOM 560 CG LEU A 36 -0.171 5.009 17.501 1.00 0.00 C ATOM 561 CD1 LEU A 36 -0.096 4.044 18.668 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.615 6.386 17.975 1.00 0.00 C ATOM 0 H LEU A 36 0.158 4.255 14.674 1.00 0.00 H new ATOM 0 HA LEU A 36 0.688 6.838 15.667 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.519 4.078 16.571 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.907 5.530 17.472 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.911 4.638 16.792 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.065 3.998 19.165 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.173 3.053 18.304 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.658 4.387 19.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.578 6.304 18.479 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.124 6.788 18.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.710 7.053 17.118 1.00 0.00 H new ATOM 574 N LYS A 37 3.242 5.275 14.387 1.00 0.00 N ATOM 575 CA LYS A 37 4.608 5.443 13.935 1.00 0.00 C ATOM 576 C LYS A 37 4.756 6.578 12.895 1.00 0.00 C ATOM 577 O LYS A 37 5.718 7.341 12.953 1.00 0.00 O ATOM 578 CB LYS A 37 5.139 4.110 13.383 1.00 0.00 C ATOM 579 CG LYS A 37 5.361 3.050 14.465 1.00 0.00 C ATOM 580 CD LYS A 37 5.637 1.674 13.883 1.00 0.00 C ATOM 581 CE LYS A 37 6.956 1.635 13.125 1.00 0.00 C ATOM 582 NZ LYS A 37 7.252 0.283 12.596 1.00 0.00 N ATOM 0 H LYS A 37 2.819 4.384 14.126 1.00 0.00 H new ATOM 0 HA LYS A 37 5.208 5.741 14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.435 3.724 12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.080 4.290 12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.198 3.349 15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.481 3.000 15.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.657 0.937 14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.824 1.393 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.922 2.347 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.763 1.951 13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.159 0.300 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.310 -0.393 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.495 -0.009 11.945 1.00 0.00 H new ATOM 596 N TYR A 38 3.805 6.691 11.951 1.00 0.00 N ATOM 597 CA TYR A 38 3.920 7.697 10.870 1.00 0.00 C ATOM 598 C TYR A 38 2.725 8.659 10.747 1.00 0.00 C ATOM 599 O TYR A 38 2.543 9.282 9.710 1.00 0.00 O ATOM 600 CB TYR A 38 4.173 6.981 9.545 1.00 0.00 C ATOM 601 CG TYR A 38 5.508 6.271 9.512 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.625 4.947 9.921 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.655 6.928 9.089 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.845 4.302 9.911 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.878 6.288 9.071 1.00 0.00 C ATOM 606 CZ TYR A 38 7.967 4.976 9.484 1.00 0.00 C ATOM 607 OH TYR A 38 9.184 4.338 9.478 1.00 0.00 O ATOM 0 H TYR A 38 2.965 6.114 11.910 1.00 0.00 H new ATOM 0 HA TYR A 38 4.762 8.336 11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.377 6.258 9.370 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.131 7.705 8.731 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.746 4.414 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.590 7.957 8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.919 3.275 10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.760 6.812 8.735 1.00 0.00 H new ATOM 0 HH TYR A 38 9.873 4.951 9.148 1.00 0.00 H new ATOM 617 N HIS A 39 1.938 8.804 11.797 1.00 0.00 N ATOM 618 CA HIS A 39 0.783 9.727 11.761 1.00 0.00 C ATOM 619 C HIS A 39 1.227 11.172 11.582 1.00 0.00 C ATOM 620 O HIS A 39 2.243 11.580 12.131 1.00 0.00 O ATOM 621 CB HIS A 39 -0.069 9.609 13.048 1.00 0.00 C ATOM 622 CG HIS A 39 0.675 9.906 14.328 1.00 0.00 C ATOM 623 ND1 HIS A 39 0.047 10.232 15.503 1.00 0.00 N ATOM 624 CD2 HIS A 39 1.998 9.883 14.615 1.00 0.00 C ATOM 625 CE1 HIS A 39 0.949 10.395 16.454 1.00 0.00 C ATOM 626 NE2 HIS A 39 2.140 10.183 15.941 1.00 0.00 N ATOM 0 H HIS A 39 2.061 8.309 12.680 1.00 0.00 H new ATOM 0 HA HIS A 39 0.176 9.438 10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.916 10.290 12.970 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.476 8.600 13.106 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.961 10.333 15.624 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.797 9.667 13.921 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.742 10.658 17.481 1.00 0.00 H new ATOM 634 N PRO A 40 0.435 11.975 10.849 1.00 0.00 N ATOM 635 CA PRO A 40 0.731 13.400 10.609 1.00 0.00 C ATOM 636 C PRO A 40 0.678 14.210 11.902 1.00 0.00 C ATOM 637 O PRO A 40 1.177 15.332 11.970 1.00 0.00 O ATOM 638 CB PRO A 40 -0.385 13.840 9.651 1.00 0.00 C ATOM 639 CG PRO A 40 -1.484 12.863 9.878 1.00 0.00 C ATOM 640 CD PRO A 40 -0.811 11.559 10.176 1.00 0.00 C ATOM 0 HA PRO A 40 1.733 13.555 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.710 14.858 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.047 13.823 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.120 13.174 10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.124 12.782 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.424 10.926 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.609 10.992 9.267 1.00 0.00 H new ATOM 648 N ASP A 41 0.079 13.612 12.921 1.00 0.00 N ATOM 649 CA ASP A 41 -0.062 14.229 14.236 1.00 0.00 C ATOM 650 C ASP A 41 1.305 14.521 14.851 1.00 0.00 C ATOM 651 O ASP A 41 1.461 15.464 15.617 1.00 0.00 O ATOM 652 CB ASP A 41 -0.857 13.309 15.164 1.00 0.00 C ATOM 653 CG ASP A 41 -2.306 13.152 14.748 1.00 0.00 C ATOM 654 OD1 ASP A 41 -3.167 13.904 15.260 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.593 12.276 13.904 1.00 0.00 O ATOM 0 H ASP A 41 -0.327 12.678 12.860 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.596 15.171 14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.383 12.328 15.186 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.818 13.705 16.179 1.00 0.00 H new ATOM 660 N LYS A 42 2.299 13.705 14.510 1.00 0.00 N ATOM 661 CA LYS A 42 3.649 13.873 15.039 1.00 0.00 C ATOM 662 C LYS A 42 4.697 13.778 13.933 1.00 0.00 C ATOM 663 O LYS A 42 5.833 14.206 14.102 1.00 0.00 O ATOM 664 CB LYS A 42 3.942 12.866 16.150 1.00 0.00 C ATOM 665 CG LYS A 42 3.198 13.155 17.435 1.00 0.00 C ATOM 666 CD LYS A 42 3.558 12.159 18.520 1.00 0.00 C ATOM 667 CE LYS A 42 2.853 12.481 19.825 1.00 0.00 C ATOM 668 NZ LYS A 42 3.185 11.500 20.886 1.00 0.00 N ATOM 0 H LYS A 42 2.194 12.919 13.868 1.00 0.00 H new ATOM 0 HA LYS A 42 3.705 14.873 15.469 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.678 11.867 15.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.013 12.861 16.352 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.432 14.164 17.774 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.124 13.122 17.251 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.287 11.154 18.197 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.637 12.164 18.677 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.135 13.481 20.153 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.775 12.491 19.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.685 11.753 21.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.893 10.549 20.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.211 11.509 21.058 1.00 0.00 H new ATOM 682 N ASN A 43 4.302 13.213 12.806 1.00 0.00 N ATOM 683 CA ASN A 43 5.180 13.068 11.659 1.00 0.00 C ATOM 684 C ASN A 43 4.757 14.034 10.564 1.00 0.00 C ATOM 685 O ASN A 43 3.701 13.869 9.949 1.00 0.00 O ATOM 686 CB ASN A 43 5.150 11.626 11.146 1.00 0.00 C ATOM 687 CG ASN A 43 5.651 10.641 12.175 1.00 0.00 C ATOM 688 OD1 ASN A 43 4.741 10.048 12.906 1.00 0.00 O flip ATOM 689 ND2 ASN A 43 6.851 10.415 12.305 1.00 0.00 N flip ATOM 0 H ASN A 43 3.363 12.842 12.660 1.00 0.00 H new ATOM 0 HA ASN A 43 6.201 13.302 11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.130 11.365 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.760 11.550 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.528 10.899 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.171 9.744 13.003 1.00 0.00 H new ATOM 696 N PRO A 44 5.557 15.080 10.327 1.00 0.00 N ATOM 697 CA PRO A 44 5.242 16.115 9.338 1.00 0.00 C ATOM 698 C PRO A 44 5.402 15.651 7.889 1.00 0.00 C ATOM 699 O PRO A 44 4.865 16.277 6.967 1.00 0.00 O ATOM 700 CB PRO A 44 6.244 17.223 9.661 1.00 0.00 C ATOM 701 CG PRO A 44 7.410 16.507 10.244 1.00 0.00 C ATOM 702 CD PRO A 44 6.840 15.344 11.012 1.00 0.00 C ATOM 0 HA PRO A 44 4.198 16.420 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.525 17.778 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.827 17.943 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.088 16.164 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.984 17.163 10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.500 14.477 10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.691 15.590 12.063 1.00 0.00 H new ATOM 710 N SER A 45 6.129 14.559 7.687 1.00 0.00 N ATOM 711 CA SER A 45 6.403 14.062 6.356 1.00 0.00 C ATOM 712 C SER A 45 5.128 13.682 5.656 1.00 0.00 C ATOM 713 O SER A 45 4.262 13.008 6.219 1.00 0.00 O ATOM 714 CB SER A 45 7.279 12.857 6.427 1.00 0.00 C ATOM 715 OG SER A 45 8.157 12.938 7.542 1.00 0.00 O ATOM 0 H SER A 45 6.539 14.002 8.437 1.00 0.00 H new ATOM 0 HA SER A 45 6.901 14.856 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.665 11.960 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.858 12.768 5.508 1.00 0.00 H new ATOM 0 HG SER A 45 8.722 12.138 7.572 1.00 0.00 H new ATOM 721 N GLU A 46 5.026 14.103 4.437 1.00 0.00 N ATOM 722 CA GLU A 46 3.861 13.826 3.634 1.00 0.00 C ATOM 723 C GLU A 46 3.754 12.352 3.317 1.00 0.00 C ATOM 724 O GLU A 46 2.676 11.794 3.314 1.00 0.00 O ATOM 725 CB GLU A 46 3.893 14.641 2.355 1.00 0.00 C ATOM 726 CG GLU A 46 5.092 14.374 1.465 1.00 0.00 C ATOM 727 CD GLU A 46 5.077 15.215 0.216 1.00 0.00 C ATOM 728 OE1 GLU A 46 5.622 16.333 0.243 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.523 14.764 -0.803 1.00 0.00 O ATOM 0 H GLU A 46 5.744 14.650 3.962 1.00 0.00 H new ATOM 0 HA GLU A 46 2.981 14.111 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.984 14.439 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.878 15.700 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.007 14.573 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.109 13.319 1.190 1.00 0.00 H new ATOM 736 N GLU A 47 4.886 11.736 3.070 1.00 0.00 N ATOM 737 CA GLU A 47 4.955 10.316 2.766 1.00 0.00 C ATOM 738 C GLU A 47 4.544 9.494 3.967 1.00 0.00 C ATOM 739 O GLU A 47 3.898 8.457 3.839 1.00 0.00 O ATOM 740 CB GLU A 47 6.354 9.960 2.327 1.00 0.00 C ATOM 741 CG GLU A 47 6.749 10.622 1.016 1.00 0.00 C ATOM 742 CD GLU A 47 8.100 10.190 0.520 1.00 0.00 C ATOM 743 OE1 GLU A 47 9.057 10.991 0.613 1.00 0.00 O ATOM 744 OE2 GLU A 47 8.212 9.056 0.021 1.00 0.00 O ATOM 0 H GLU A 47 5.793 12.203 3.073 1.00 0.00 H new ATOM 0 HA GLU A 47 4.263 10.091 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.059 10.255 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.432 8.878 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.000 10.390 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.746 11.704 1.147 1.00 0.00 H new ATOM 751 N ALA A 48 4.944 9.956 5.133 1.00 0.00 N ATOM 752 CA ALA A 48 4.561 9.313 6.380 1.00 0.00 C ATOM 753 C ALA A 48 3.065 9.361 6.513 1.00 0.00 C ATOM 754 O ALA A 48 2.415 8.396 6.919 1.00 0.00 O ATOM 755 CB ALA A 48 5.233 10.000 7.562 1.00 0.00 C ATOM 0 H ALA A 48 5.537 10.778 5.247 1.00 0.00 H new ATOM 0 HA ALA A 48 4.888 8.273 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.935 9.506 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.316 9.940 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.929 11.046 7.595 1.00 0.00 H new ATOM 761 N ALA A 49 2.536 10.487 6.134 1.00 0.00 N ATOM 762 CA ALA A 49 1.104 10.715 6.120 1.00 0.00 C ATOM 763 C ALA A 49 0.435 9.785 5.110 1.00 0.00 C ATOM 764 O ALA A 49 -0.667 9.283 5.341 1.00 0.00 O ATOM 765 CB ALA A 49 0.792 12.173 5.818 1.00 0.00 C ATOM 0 H ALA A 49 3.085 11.288 5.821 1.00 0.00 H new ATOM 0 HA ALA A 49 0.703 10.491 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.288 12.320 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.241 12.807 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.199 12.438 4.842 1.00 0.00 H new ATOM 771 N GLU A 50 1.113 9.567 3.980 1.00 0.00 N ATOM 772 CA GLU A 50 0.617 8.669 2.941 1.00 0.00 C ATOM 773 C GLU A 50 0.510 7.271 3.507 1.00 0.00 C ATOM 774 O GLU A 50 -0.469 6.562 3.274 1.00 0.00 O ATOM 775 CB GLU A 50 1.584 8.632 1.761 1.00 0.00 C ATOM 776 CG GLU A 50 1.812 9.967 1.105 1.00 0.00 C ATOM 777 CD GLU A 50 2.568 9.841 -0.196 1.00 0.00 C ATOM 778 OE1 GLU A 50 3.784 10.090 -0.215 1.00 0.00 O ATOM 779 OE2 GLU A 50 1.943 9.484 -1.215 1.00 0.00 O ATOM 0 H GLU A 50 2.009 10.003 3.764 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.355 9.029 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.542 8.240 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.202 7.934 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.851 10.448 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.367 10.614 1.785 1.00 0.00 H new ATOM 786 N LYS A 51 1.521 6.899 4.277 1.00 0.00 N ATOM 787 CA LYS A 51 1.556 5.605 4.947 1.00 0.00 C ATOM 788 C LYS A 51 0.385 5.486 5.899 1.00 0.00 C ATOM 789 O LYS A 51 -0.239 4.430 6.009 1.00 0.00 O ATOM 790 CB LYS A 51 2.858 5.453 5.728 1.00 0.00 C ATOM 791 CG LYS A 51 4.092 5.291 4.863 1.00 0.00 C ATOM 792 CD LYS A 51 5.358 5.298 5.705 1.00 0.00 C ATOM 793 CE LYS A 51 5.383 4.140 6.702 1.00 0.00 C ATOM 794 NZ LYS A 51 5.358 2.813 6.031 1.00 0.00 N ATOM 0 H LYS A 51 2.338 7.482 4.456 1.00 0.00 H new ATOM 0 HA LYS A 51 1.494 4.820 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.989 6.327 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.774 4.588 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.028 4.357 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.135 6.097 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.229 5.235 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.431 6.243 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.278 4.215 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.527 4.222 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.529 2.065 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.429 2.665 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.099 2.779 5.302 1.00 0.00 H new ATOM 808 N PHE A 52 0.093 6.582 6.580 1.00 0.00 N ATOM 809 CA PHE A 52 -1.030 6.645 7.484 1.00 0.00 C ATOM 810 C PHE A 52 -2.317 6.366 6.734 1.00 0.00 C ATOM 811 O PHE A 52 -3.135 5.555 7.164 1.00 0.00 O ATOM 812 CB PHE A 52 -1.107 8.022 8.161 1.00 0.00 C ATOM 813 CG PHE A 52 -2.257 8.156 9.130 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.074 7.936 10.483 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.529 8.480 8.676 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.133 8.041 11.365 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.588 8.584 9.550 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.391 8.364 10.898 1.00 0.00 C ATOM 0 H PHE A 52 0.629 7.447 6.518 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.893 5.887 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.173 8.210 8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.198 8.790 7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.093 7.679 10.855 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.690 8.653 7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.976 7.870 12.420 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.571 8.837 9.181 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.219 8.444 11.586 1.00 0.00 H new ATOM 828 N LYS A 53 -2.488 7.035 5.615 1.00 0.00 N ATOM 829 CA LYS A 53 -3.694 6.900 4.829 1.00 0.00 C ATOM 830 C LYS A 53 -3.847 5.502 4.249 1.00 0.00 C ATOM 831 O LYS A 53 -4.952 4.949 4.237 1.00 0.00 O ATOM 832 CB LYS A 53 -3.730 7.944 3.736 1.00 0.00 C ATOM 833 CG LYS A 53 -3.800 9.344 4.289 1.00 0.00 C ATOM 834 CD LYS A 53 -4.120 10.366 3.205 1.00 0.00 C ATOM 835 CE LYS A 53 -2.984 10.500 2.201 1.00 0.00 C ATOM 836 NZ LYS A 53 -3.272 11.539 1.179 1.00 0.00 N ATOM 0 H LYS A 53 -1.802 7.682 5.227 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.540 7.061 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.842 7.845 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.592 7.765 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.562 9.390 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.849 9.597 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.032 10.071 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.315 11.335 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.063 10.752 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.819 9.542 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.476 11.601 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.138 11.286 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.405 12.458 1.647 1.00 0.00 H new ATOM 850 N GLU A 54 -2.747 4.925 3.778 1.00 0.00 N ATOM 851 CA GLU A 54 -2.773 3.571 3.240 1.00 0.00 C ATOM 852 C GLU A 54 -3.118 2.581 4.334 1.00 0.00 C ATOM 853 O GLU A 54 -3.884 1.643 4.120 1.00 0.00 O ATOM 854 CB GLU A 54 -1.437 3.214 2.605 1.00 0.00 C ATOM 855 CG GLU A 54 -1.142 4.004 1.349 1.00 0.00 C ATOM 856 CD GLU A 54 0.194 3.651 0.731 1.00 0.00 C ATOM 857 OE1 GLU A 54 1.238 3.850 1.392 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.211 3.185 -0.431 1.00 0.00 O ATOM 0 H GLU A 54 -1.830 5.372 3.758 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.540 3.524 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.641 3.386 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.428 2.150 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.932 3.826 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.158 5.068 1.583 1.00 0.00 H new ATOM 865 N ALA A 55 -2.563 2.814 5.519 1.00 0.00 N ATOM 866 CA ALA A 55 -2.839 1.976 6.669 1.00 0.00 C ATOM 867 C ALA A 55 -4.297 2.103 7.048 1.00 0.00 C ATOM 868 O ALA A 55 -4.949 1.128 7.401 1.00 0.00 O ATOM 869 CB ALA A 55 -1.958 2.368 7.840 1.00 0.00 C ATOM 0 H ALA A 55 -1.917 3.581 5.703 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.621 0.940 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.181 1.727 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.910 2.252 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.149 3.407 8.107 1.00 0.00 H new ATOM 875 N SER A 56 -4.797 3.328 6.965 1.00 0.00 N ATOM 876 CA SER A 56 -6.174 3.620 7.284 1.00 0.00 C ATOM 877 C SER A 56 -7.111 2.896 6.317 1.00 0.00 C ATOM 878 O SER A 56 -8.077 2.283 6.739 1.00 0.00 O ATOM 879 CB SER A 56 -6.403 5.138 7.256 1.00 0.00 C ATOM 880 OG SER A 56 -5.600 5.782 8.235 1.00 0.00 O ATOM 0 H SER A 56 -4.255 4.141 6.674 1.00 0.00 H new ATOM 0 HA SER A 56 -6.395 3.260 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.164 5.529 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.455 5.356 7.440 1.00 0.00 H new ATOM 0 HG SER A 56 -4.657 5.720 7.977 1.00 0.00 H new ATOM 886 N ALA A 57 -6.790 2.939 5.018 1.00 0.00 N ATOM 887 CA ALA A 57 -7.595 2.248 4.003 1.00 0.00 C ATOM 888 C ALA A 57 -7.532 0.737 4.209 1.00 0.00 C ATOM 889 O ALA A 57 -8.537 0.021 4.064 1.00 0.00 O ATOM 890 CB ALA A 57 -7.125 2.625 2.604 1.00 0.00 C ATOM 0 H ALA A 57 -5.984 3.442 4.647 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.633 2.562 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.732 2.104 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.226 3.701 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.080 2.340 2.482 1.00 0.00 H new ATOM 896 N ALA A 58 -6.343 0.266 4.550 1.00 0.00 N ATOM 897 CA ALA A 58 -6.120 -1.133 4.833 1.00 0.00 C ATOM 898 C ALA A 58 -6.975 -1.545 6.001 1.00 0.00 C ATOM 899 O ALA A 58 -7.626 -2.560 5.966 1.00 0.00 O ATOM 900 CB ALA A 58 -4.656 -1.382 5.150 1.00 0.00 C ATOM 0 H ALA A 58 -5.509 0.847 4.637 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.388 -1.723 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.504 -2.441 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.044 -1.091 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.367 -0.794 6.021 1.00 0.00 H new ATOM 906 N TYR A 59 -6.993 -0.705 7.017 1.00 0.00 N ATOM 907 CA TYR A 59 -7.818 -0.909 8.190 1.00 0.00 C ATOM 908 C TYR A 59 -9.286 -0.933 7.809 1.00 0.00 C ATOM 909 O TYR A 59 -10.043 -1.736 8.307 1.00 0.00 O ATOM 910 CB TYR A 59 -7.553 0.198 9.212 1.00 0.00 C ATOM 911 CG TYR A 59 -8.391 0.125 10.468 1.00 0.00 C ATOM 912 CD1 TYR A 59 -8.024 -0.698 11.518 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.542 0.893 10.607 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.774 -0.757 12.670 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.300 0.837 11.759 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.910 0.009 12.787 1.00 0.00 C ATOM 917 OH TYR A 59 -10.657 -0.049 13.943 1.00 0.00 O ATOM 0 H TYR A 59 -6.431 0.145 7.051 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.563 -1.871 8.635 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.500 0.167 9.494 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.726 1.162 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.134 -1.304 11.432 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.848 1.543 9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.471 -1.403 13.480 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.192 1.438 11.853 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.426 0.553 13.866 1.00 0.00 H new ATOM 927 N GLU A 60 -9.665 -0.065 6.902 1.00 0.00 N ATOM 928 CA GLU A 60 -11.053 0.066 6.509 1.00 0.00 C ATOM 929 C GLU A 60 -11.603 -1.257 5.969 1.00 0.00 C ATOM 930 O GLU A 60 -12.739 -1.619 6.252 1.00 0.00 O ATOM 931 CB GLU A 60 -11.205 1.150 5.441 1.00 0.00 C ATOM 932 CG GLU A 60 -10.896 2.553 5.932 1.00 0.00 C ATOM 933 CD GLU A 60 -11.734 2.964 7.122 1.00 0.00 C ATOM 934 OE1 GLU A 60 -12.979 2.872 7.039 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.157 3.396 8.142 1.00 0.00 O ATOM 0 H GLU A 60 -9.028 0.567 6.417 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.621 0.345 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.546 0.916 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.225 1.127 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.841 2.613 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.059 3.260 5.119 1.00 0.00 H new ATOM 942 N ILE A 61 -10.802 -1.967 5.189 1.00 0.00 N ATOM 943 CA ILE A 61 -11.242 -3.243 4.647 1.00 0.00 C ATOM 944 C ILE A 61 -10.843 -4.408 5.535 1.00 0.00 C ATOM 945 O ILE A 61 -11.656 -5.246 5.879 1.00 0.00 O ATOM 946 CB ILE A 61 -10.738 -3.456 3.198 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.233 -3.171 3.095 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.526 -2.585 2.226 1.00 0.00 C ATOM 949 CD1 ILE A 61 -8.649 -3.451 1.733 1.00 0.00 C ATOM 0 H ILE A 61 -9.859 -1.687 4.920 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.331 -3.209 4.620 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.899 -4.500 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.053 -2.126 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.708 -3.774 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.159 -2.747 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.583 -2.848 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.401 -1.536 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.583 -3.225 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.796 -4.502 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.146 -2.829 0.989 1.00 0.00 H new ATOM 961 N LEU A 62 -9.596 -4.434 5.912 1.00 0.00 N ATOM 962 CA LEU A 62 -9.041 -5.512 6.706 1.00 0.00 C ATOM 963 C LEU A 62 -9.658 -5.626 8.106 1.00 0.00 C ATOM 964 O LEU A 62 -9.878 -6.729 8.587 1.00 0.00 O ATOM 965 CB LEU A 62 -7.540 -5.359 6.769 1.00 0.00 C ATOM 966 CG LEU A 62 -6.831 -5.505 5.420 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.338 -5.284 5.560 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.117 -6.857 4.795 1.00 0.00 C ATOM 0 H LEU A 62 -8.923 -3.704 5.678 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.295 -6.450 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.304 -4.380 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.140 -6.103 7.458 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.225 -4.736 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.861 -5.394 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.153 -4.281 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.925 -6.018 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.600 -6.932 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.766 -7.647 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.190 -6.965 4.638 1.00 0.00 H new ATOM 980 N SER A 63 -9.950 -4.496 8.751 1.00 0.00 N ATOM 981 CA SER A 63 -10.543 -4.513 10.101 1.00 0.00 C ATOM 982 C SER A 63 -11.943 -5.128 10.086 1.00 0.00 C ATOM 983 O SER A 63 -12.541 -5.365 11.140 1.00 0.00 O ATOM 984 CB SER A 63 -10.602 -3.101 10.690 1.00 0.00 C ATOM 985 OG SER A 63 -11.063 -3.117 12.030 1.00 0.00 O ATOM 0 H SER A 63 -9.790 -3.563 8.371 1.00 0.00 H new ATOM 0 HA SER A 63 -9.902 -5.131 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.612 -2.647 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.262 -2.480 10.084 1.00 0.00 H new ATOM 0 HG SER A 63 -10.668 -2.367 12.521 1.00 0.00 H new ATOM 991 N ASP A 64 -12.454 -5.378 8.899 1.00 0.00 N ATOM 992 CA ASP A 64 -13.751 -5.983 8.745 1.00 0.00 C ATOM 993 C ASP A 64 -13.570 -7.292 8.028 1.00 0.00 C ATOM 994 O ASP A 64 -13.270 -7.306 6.870 1.00 0.00 O ATOM 995 CB ASP A 64 -14.722 -5.073 7.981 1.00 0.00 C ATOM 996 CG ASP A 64 -15.004 -3.772 8.702 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.365 -3.815 9.894 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.885 -2.698 8.074 1.00 0.00 O ATOM 0 H ASP A 64 -11.981 -5.167 8.020 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.192 -6.145 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.308 -4.854 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.660 -5.604 7.821 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.765 -8.402 8.723 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.511 -9.762 8.196 1.00 0.00 C ATOM 1005 C PRO A 65 -14.189 -10.018 6.864 1.00 0.00 C ATOM 1006 O PRO A 65 -13.654 -10.708 6.003 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.119 -10.655 9.266 1.00 0.00 C ATOM 1008 CG PRO A 65 -14.021 -9.850 10.507 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.249 -8.432 10.095 1.00 0.00 C ATOM 0 HA PRO A 65 -12.451 -9.931 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.154 -10.906 9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.575 -11.595 9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.764 -10.168 11.239 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.043 -9.969 10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.303 -8.159 10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.702 -7.735 10.730 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.335 -9.416 6.681 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.096 -9.621 5.475 1.00 0.00 C ATOM 1019 C GLU A 66 -15.482 -8.845 4.333 1.00 0.00 C ATOM 1020 O GLU A 66 -15.471 -9.295 3.201 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.555 -9.249 5.691 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.761 -7.858 6.254 1.00 0.00 C ATOM 1023 CD GLU A 66 -19.211 -7.578 6.549 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.902 -7.016 5.676 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -19.674 -7.936 7.650 1.00 0.00 O ATOM 0 H GLU A 66 -15.763 -8.779 7.352 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.067 -10.679 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.083 -9.327 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.007 -9.974 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.177 -7.747 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.386 -7.120 5.544 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.917 -7.708 4.659 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.270 -6.858 3.707 1.00 0.00 C ATOM 1034 C LYS A 67 -12.880 -7.374 3.462 1.00 0.00 C ATOM 1035 O LYS A 67 -12.307 -7.201 2.400 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.210 -5.453 4.282 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.562 -4.785 4.442 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.216 -4.548 3.096 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.544 -3.836 3.243 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.186 -3.607 1.930 1.00 0.00 N ATOM 0 H LYS A 67 -14.897 -7.347 5.613 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.818 -6.844 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.720 -5.492 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.587 -4.835 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.209 -5.409 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.443 -3.836 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.552 -3.956 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.367 -5.502 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.207 -4.427 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.392 -2.881 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.093 -3.118 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.564 -3.022 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.353 -4.520 1.461 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.363 -8.013 4.477 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.056 -8.584 4.480 1.00 0.00 C ATOM 1056 C ARG A 68 -11.026 -9.749 3.505 1.00 0.00 C ATOM 1057 O ARG A 68 -10.101 -9.891 2.717 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.760 -9.080 5.893 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.293 -9.231 6.213 1.00 0.00 C ATOM 1060 CD ARG A 68 -9.004 -10.591 6.843 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.460 -11.701 5.993 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.651 -12.499 5.295 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.333 -12.362 5.392 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.164 -13.445 4.517 1.00 0.00 N ATOM 0 H ARG A 68 -12.865 -8.152 5.354 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.309 -7.849 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.204 -8.387 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.250 -10.043 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.705 -9.117 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.983 -8.438 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.933 -10.687 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.496 -10.652 7.814 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.464 -11.872 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.938 -11.645 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.716 -12.973 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.175 -13.560 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.547 -14.056 3.982 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.073 -10.578 3.565 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.204 -11.719 2.671 1.00 0.00 C ATOM 1080 C ASP A 69 -12.465 -11.248 1.275 1.00 0.00 C ATOM 1081 O ASP A 69 -11.979 -11.823 0.312 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.296 -12.683 3.136 1.00 0.00 C ATOM 1083 CG ASP A 69 -12.917 -13.414 4.405 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -11.784 -13.943 4.478 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.738 -13.477 5.331 1.00 0.00 O ATOM 0 H ASP A 69 -12.841 -10.474 4.228 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.264 -12.270 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.220 -12.129 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.496 -13.409 2.348 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.249 -10.196 1.169 1.00 0.00 N ATOM 1091 CA ILE A 70 -13.518 -9.575 -0.105 1.00 0.00 C ATOM 1092 C ILE A 70 -12.224 -9.059 -0.716 1.00 0.00 C ATOM 1093 O ILE A 70 -11.931 -9.320 -1.885 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.546 -8.436 0.049 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -15.939 -9.011 0.329 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.565 -7.514 -1.169 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -16.458 -9.922 -0.766 1.00 0.00 C ATOM 0 H ILE A 70 -13.714 -9.751 1.960 1.00 0.00 H new ATOM 0 HA ILE A 70 -13.945 -10.321 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.242 -7.828 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -15.911 -9.566 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.640 -8.188 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -15.303 -6.726 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.580 -7.067 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -14.826 -8.090 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.448 -10.289 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.520 -9.367 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.779 -10.766 -0.889 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.433 -8.364 0.089 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.130 -7.893 -0.358 1.00 0.00 C ATOM 1111 C TYR A 71 -9.237 -9.057 -0.744 1.00 0.00 C ATOM 1112 O TYR A 71 -8.554 -9.010 -1.742 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.439 -7.010 0.682 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.037 -6.608 0.264 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -7.828 -5.758 -0.818 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -6.927 -7.087 0.942 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.552 -5.403 -1.209 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.649 -6.733 0.559 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.466 -5.895 -0.516 1.00 0.00 C ATOM 1120 OH TYR A 71 -4.189 -5.543 -0.899 1.00 0.00 O ATOM 0 H TYR A 71 -11.669 -8.115 1.050 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.305 -7.276 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.036 -6.113 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.393 -7.542 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.677 -5.370 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.064 -7.749 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.406 -4.744 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.796 -7.113 1.102 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.202 -4.649 -1.299 1.00 0.00 H new ATOM 1130 N ASP A 72 -9.243 -10.086 0.070 1.00 0.00 N ATOM 1131 CA ASP A 72 -8.430 -11.274 -0.176 1.00 0.00 C ATOM 1132 C ASP A 72 -8.782 -11.909 -1.531 1.00 0.00 C ATOM 1133 O ASP A 72 -7.901 -12.342 -2.276 1.00 0.00 O ATOM 1134 CB ASP A 72 -8.648 -12.289 0.950 1.00 0.00 C ATOM 1135 CG ASP A 72 -7.791 -13.524 0.808 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -6.568 -13.429 1.014 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -8.336 -14.602 0.513 1.00 0.00 O ATOM 0 H ASP A 72 -9.805 -10.133 0.920 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.381 -10.978 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.433 -11.813 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.698 -12.582 0.968 1.00 0.00 H new ATOM 1142 N GLN A 73 -10.073 -11.947 -1.835 1.00 0.00 N ATOM 1143 CA GLN A 73 -10.581 -12.532 -3.079 1.00 0.00 C ATOM 1144 C GLN A 73 -10.193 -11.717 -4.309 1.00 0.00 C ATOM 1145 O GLN A 73 -9.850 -12.274 -5.348 1.00 0.00 O ATOM 1146 CB GLN A 73 -12.099 -12.662 -3.014 1.00 0.00 C ATOM 1147 CG GLN A 73 -12.579 -13.700 -2.026 1.00 0.00 C ATOM 1148 CD GLN A 73 -14.080 -13.678 -1.847 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -14.538 -12.956 -0.844 1.00 0.00 O flip ATOM 1150 NE2 GLN A 73 -14.821 -14.310 -2.599 1.00 0.00 N flip ATOM 0 H GLN A 73 -10.802 -11.574 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.123 -13.516 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.526 -11.695 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.476 -12.915 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.271 -14.689 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.099 -13.529 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.425 -14.857 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.831 -14.287 -2.458 1.00 0.00 H new ATOM 1159 N PHE A 74 -10.251 -10.404 -4.191 1.00 0.00 N ATOM 1160 CA PHE A 74 -9.954 -9.530 -5.325 1.00 0.00 C ATOM 1161 C PHE A 74 -8.539 -8.979 -5.258 1.00 0.00 C ATOM 1162 O PHE A 74 -8.105 -8.233 -6.147 1.00 0.00 O ATOM 1163 CB PHE A 74 -10.967 -8.384 -5.403 1.00 0.00 C ATOM 1164 CG PHE A 74 -12.378 -8.842 -5.645 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -13.277 -8.956 -4.597 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -12.803 -9.164 -6.921 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -14.572 -9.384 -4.819 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -14.095 -9.591 -7.150 1.00 0.00 C ATOM 1169 CZ PHE A 74 -14.981 -9.701 -6.096 1.00 0.00 C ATOM 0 H PHE A 74 -10.499 -9.916 -3.330 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.032 -10.134 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.933 -7.816 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.673 -7.704 -6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.962 -8.707 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.115 -9.080 -7.749 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.262 -9.470 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.413 -9.839 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 74 -15.993 -10.035 -6.273 1.00 0.00 H new ATOM 1179 N GLY A 75 -7.824 -9.348 -4.222 1.00 0.00 N ATOM 1180 CA GLY A 75 -6.468 -8.878 -4.055 1.00 0.00 C ATOM 1181 C GLY A 75 -5.507 -9.591 -4.962 1.00 0.00 C ATOM 1182 O GLY A 75 -4.529 -8.970 -5.395 1.00 0.00 O ATOM 1183 OXT GLY A 75 -5.732 -10.784 -5.250 1.00 0.00 O ATOM 0 H GLY A 75 -8.156 -9.970 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.429 -7.807 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.161 -9.020 -3.019 1.00 0.00 H new TER 1187 GLY A 75