USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -15:sc= 1.24 USER MOD Set 1.2: A 41 ASN : amide:sc= -1.35 K(o=-0.11,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0364 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.9!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -107:sc= 1.18 USER MOD Single : A 55 CYS SG : rot 24:sc= 0.395 USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0443 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.080 -29.127 -33.628 1.00 0.00 N ATOM 2 CA GLY A 1 26.193 -28.706 -34.697 1.00 0.00 C ATOM 3 C GLY A 1 24.761 -28.534 -34.228 1.00 0.00 C ATOM 4 O GLY A 1 24.176 -27.462 -34.382 1.00 0.00 O ATOM 0 H1 GLY A 1 28.046 -29.230 -33.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.074 -28.414 -32.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.756 -30.039 -33.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.552 -27.764 -35.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.223 -29.442 -35.501 1.00 0.00 H new ATOM 8 N SER A 2 24.196 -29.592 -33.657 1.00 0.00 N ATOM 9 CA SER A 2 22.822 -29.555 -33.170 1.00 0.00 C ATOM 10 C SER A 2 22.627 -28.408 -32.182 1.00 0.00 C ATOM 11 O SER A 2 23.592 -27.868 -31.643 1.00 0.00 O ATOM 12 CB SER A 2 22.458 -30.883 -32.504 1.00 0.00 C ATOM 13 OG SER A 2 21.056 -31.005 -32.341 1.00 0.00 O ATOM 0 H SER A 2 24.668 -30.486 -33.520 1.00 0.00 H new ATOM 0 HA SER A 2 22.164 -29.393 -34.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.830 -31.710 -33.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.947 -30.952 -31.533 1.00 0.00 H new ATOM 0 HG SER A 2 20.850 -31.863 -31.915 1.00 0.00 H new ATOM 19 N SER A 3 21.370 -28.042 -31.951 1.00 0.00 N ATOM 20 CA SER A 3 21.047 -26.957 -31.032 1.00 0.00 C ATOM 21 C SER A 3 20.246 -27.475 -29.841 1.00 0.00 C ATOM 22 O SER A 3 19.447 -28.401 -29.971 1.00 0.00 O ATOM 23 CB SER A 3 20.258 -25.865 -31.756 1.00 0.00 C ATOM 24 OG SER A 3 20.969 -25.384 -32.884 1.00 0.00 O ATOM 0 H SER A 3 20.559 -28.481 -32.387 1.00 0.00 H new ATOM 0 HA SER A 3 21.982 -26.535 -30.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.292 -26.259 -32.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.058 -25.042 -31.070 1.00 0.00 H new ATOM 0 HG SER A 3 20.443 -24.688 -33.330 1.00 0.00 H new ATOM 30 N GLY A 4 20.465 -26.867 -28.679 1.00 0.00 N ATOM 31 CA GLY A 4 19.757 -27.280 -27.481 1.00 0.00 C ATOM 32 C GLY A 4 18.939 -26.156 -26.876 1.00 0.00 C ATOM 33 O GLY A 4 19.039 -25.006 -27.304 1.00 0.00 O ATOM 0 H GLY A 4 21.120 -26.096 -28.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.100 -28.116 -27.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.475 -27.640 -26.744 1.00 0.00 H new ATOM 37 N SER A 5 18.127 -26.489 -25.878 1.00 0.00 N ATOM 38 CA SER A 5 17.284 -25.500 -25.216 1.00 0.00 C ATOM 39 C SER A 5 17.927 -25.018 -23.919 1.00 0.00 C ATOM 40 O SER A 5 18.898 -25.604 -23.440 1.00 0.00 O ATOM 41 CB SER A 5 15.903 -26.090 -24.925 1.00 0.00 C ATOM 42 OG SER A 5 14.989 -25.079 -24.535 1.00 0.00 O ATOM 0 H SER A 5 18.035 -27.436 -25.510 1.00 0.00 H new ATOM 0 HA SER A 5 17.174 -24.647 -25.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.528 -26.601 -25.812 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.982 -26.837 -24.136 1.00 0.00 H new ATOM 0 HG SER A 5 14.113 -25.481 -24.356 1.00 0.00 H new ATOM 48 N SER A 6 17.379 -23.946 -23.357 1.00 0.00 N ATOM 49 CA SER A 6 17.901 -23.381 -22.118 1.00 0.00 C ATOM 50 C SER A 6 16.871 -23.487 -20.997 1.00 0.00 C ATOM 51 O SER A 6 15.716 -23.096 -21.160 1.00 0.00 O ATOM 52 CB SER A 6 18.296 -21.918 -22.326 1.00 0.00 C ATOM 53 OG SER A 6 19.031 -21.426 -21.219 1.00 0.00 O ATOM 0 H SER A 6 16.574 -23.451 -23.740 1.00 0.00 H new ATOM 0 HA SER A 6 18.785 -23.951 -21.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.893 -21.825 -23.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.401 -21.313 -22.470 1.00 0.00 H new ATOM 0 HG SER A 6 19.273 -20.490 -21.377 1.00 0.00 H new ATOM 59 N GLY A 7 17.300 -24.020 -19.857 1.00 0.00 N ATOM 60 CA GLY A 7 16.404 -24.169 -18.724 1.00 0.00 C ATOM 61 C GLY A 7 17.083 -24.805 -17.528 1.00 0.00 C ATOM 62 O GLY A 7 16.505 -25.664 -16.862 1.00 0.00 O ATOM 0 H GLY A 7 18.251 -24.351 -19.697 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.016 -23.191 -18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.549 -24.777 -19.018 1.00 0.00 H new ATOM 66 N MET A 8 18.313 -24.384 -17.254 1.00 0.00 N ATOM 67 CA MET A 8 19.072 -24.919 -16.130 1.00 0.00 C ATOM 68 C MET A 8 19.046 -23.954 -14.948 1.00 0.00 C ATOM 69 O MET A 8 18.752 -22.770 -15.108 1.00 0.00 O ATOM 70 CB MET A 8 20.518 -25.194 -16.547 1.00 0.00 C ATOM 71 CG MET A 8 21.252 -23.960 -17.044 1.00 0.00 C ATOM 72 SD MET A 8 23.008 -24.262 -17.323 1.00 0.00 S ATOM 73 CE MET A 8 23.728 -22.823 -16.536 1.00 0.00 C ATOM 0 H MET A 8 18.806 -23.674 -17.795 1.00 0.00 H new ATOM 0 HA MET A 8 18.606 -25.855 -15.823 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.059 -25.611 -15.698 1.00 0.00 H new ATOM 0 HB3 MET A 8 20.524 -25.951 -17.332 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.794 -23.619 -17.972 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.137 -23.156 -16.317 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.814 -22.865 -16.625 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.359 -21.920 -17.022 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.451 -22.808 -15.482 1.00 0.00 H new ATOM 83 N ALA A 9 19.354 -24.469 -13.763 1.00 0.00 N ATOM 84 CA ALA A 9 19.368 -23.653 -12.555 1.00 0.00 C ATOM 85 C ALA A 9 20.757 -23.081 -12.295 1.00 0.00 C ATOM 86 O ALA A 9 21.748 -23.812 -12.285 1.00 0.00 O ATOM 87 CB ALA A 9 18.898 -24.470 -11.360 1.00 0.00 C ATOM 0 H ALA A 9 19.597 -25.448 -13.613 1.00 0.00 H new ATOM 0 HA ALA A 9 18.682 -22.819 -12.702 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.914 -23.848 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.883 -24.824 -11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 9 19.561 -25.324 -11.220 1.00 0.00 H new ATOM 93 N SER A 10 20.823 -21.771 -12.084 1.00 0.00 N ATOM 94 CA SER A 10 22.092 -21.100 -11.828 1.00 0.00 C ATOM 95 C SER A 10 22.711 -21.590 -10.522 1.00 0.00 C ATOM 96 O SER A 10 23.824 -22.115 -10.508 1.00 0.00 O ATOM 97 CB SER A 10 21.891 -19.585 -11.774 1.00 0.00 C ATOM 98 OG SER A 10 21.533 -19.072 -13.045 1.00 0.00 O ATOM 0 H SER A 10 20.012 -21.152 -12.085 1.00 0.00 H new ATOM 0 HA SER A 10 22.773 -21.339 -12.645 1.00 0.00 H new ATOM 0 HB2 SER A 10 21.114 -19.344 -11.049 1.00 0.00 H new ATOM 0 HB3 SER A 10 22.807 -19.106 -11.430 1.00 0.00 H new ATOM 0 HG SER A 10 21.409 -18.102 -12.983 1.00 0.00 H new ATOM 104 N GLY A 11 21.981 -21.413 -9.425 1.00 0.00 N ATOM 105 CA GLY A 11 22.473 -21.841 -8.129 1.00 0.00 C ATOM 106 C GLY A 11 22.396 -20.743 -7.088 1.00 0.00 C ATOM 107 O GLY A 11 22.920 -19.648 -7.291 1.00 0.00 O ATOM 0 H GLY A 11 21.057 -20.981 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.894 -22.700 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.507 -22.172 -8.228 1.00 0.00 H new ATOM 111 N GLN A 12 21.739 -21.035 -5.970 1.00 0.00 N ATOM 112 CA GLN A 12 21.593 -20.062 -4.894 1.00 0.00 C ATOM 113 C GLN A 12 21.771 -20.725 -3.532 1.00 0.00 C ATOM 114 O GLN A 12 21.579 -21.932 -3.388 1.00 0.00 O ATOM 115 CB GLN A 12 20.222 -19.387 -4.970 1.00 0.00 C ATOM 116 CG GLN A 12 19.060 -20.343 -4.749 1.00 0.00 C ATOM 117 CD GLN A 12 17.716 -19.642 -4.770 1.00 0.00 C ATOM 118 OE1 GLN A 12 17.346 -18.956 -3.818 1.00 0.00 O ATOM 119 NE2 GLN A 12 16.977 -19.812 -5.860 1.00 0.00 N ATOM 0 H GLN A 12 21.300 -21.937 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 12 22.369 -19.307 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 12 20.175 -18.593 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.112 -18.915 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.076 -21.113 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.187 -20.848 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.323 -20.390 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.063 -19.365 -5.931 1.00 0.00 H new ATOM 128 N PHE A 13 22.140 -19.928 -2.535 1.00 0.00 N ATOM 129 CA PHE A 13 22.345 -20.438 -1.184 1.00 0.00 C ATOM 130 C PHE A 13 21.030 -20.477 -0.412 1.00 0.00 C ATOM 131 O PHE A 13 20.369 -19.453 -0.236 1.00 0.00 O ATOM 132 CB PHE A 13 23.362 -19.571 -0.438 1.00 0.00 C ATOM 133 CG PHE A 13 23.197 -18.100 -0.693 1.00 0.00 C ATOM 134 CD1 PHE A 13 23.808 -17.499 -1.782 1.00 0.00 C ATOM 135 CD2 PHE A 13 22.431 -17.318 0.156 1.00 0.00 C ATOM 136 CE1 PHE A 13 23.658 -16.146 -2.018 1.00 0.00 C ATOM 137 CE2 PHE A 13 22.278 -15.964 -0.075 1.00 0.00 C ATOM 138 CZ PHE A 13 22.891 -15.377 -1.164 1.00 0.00 C ATOM 0 H PHE A 13 22.303 -18.926 -2.637 1.00 0.00 H new ATOM 0 HA PHE A 13 22.731 -21.454 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 13 23.272 -19.759 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 13 24.368 -19.872 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 13 24.408 -18.095 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 13 21.948 -17.772 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 13 24.140 -15.690 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 13 21.679 -15.366 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 13 22.771 -14.320 -1.348 1.00 0.00 H new ATOM 148 N VAL A 14 20.656 -21.667 0.048 1.00 0.00 N ATOM 149 CA VAL A 14 19.421 -21.841 0.802 1.00 0.00 C ATOM 150 C VAL A 14 19.593 -21.394 2.250 1.00 0.00 C ATOM 151 O VAL A 14 18.629 -21.003 2.908 1.00 0.00 O ATOM 152 CB VAL A 14 18.953 -23.309 0.782 1.00 0.00 C ATOM 153 CG1 VAL A 14 18.560 -23.725 -0.627 1.00 0.00 C ATOM 154 CG2 VAL A 14 20.039 -24.221 1.333 1.00 0.00 C ATOM 0 H VAL A 14 21.191 -22.525 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 14 18.666 -21.220 0.320 1.00 0.00 H new ATOM 0 HB VAL A 14 18.074 -23.401 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.232 -24.765 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.747 -23.090 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.418 -23.619 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 19.692 -25.254 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.937 -24.127 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.267 -23.936 2.360 1.00 0.00 H new ATOM 164 N ASN A 15 20.827 -21.453 2.739 1.00 0.00 N ATOM 165 CA ASN A 15 21.126 -21.054 4.109 1.00 0.00 C ATOM 166 C ASN A 15 20.568 -19.665 4.405 1.00 0.00 C ATOM 167 O ASN A 15 20.381 -19.292 5.563 1.00 0.00 O ATOM 168 CB ASN A 15 22.637 -21.072 4.350 1.00 0.00 C ATOM 169 CG ASN A 15 23.133 -22.429 4.808 1.00 0.00 C ATOM 170 OD1 ASN A 15 22.747 -23.461 4.261 1.00 0.00 O ATOM 171 ND2 ASN A 15 23.995 -22.433 5.819 1.00 0.00 N ATOM 0 H ASN A 15 21.636 -21.773 2.207 1.00 0.00 H new ATOM 0 HA ASN A 15 20.650 -21.768 4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.152 -20.791 3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.892 -20.323 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.364 -23.316 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.288 -21.553 6.243 1.00 0.00 H new ATOM 178 N LYS A 16 20.304 -18.902 3.349 1.00 0.00 N ATOM 179 CA LYS A 16 19.767 -17.555 3.493 1.00 0.00 C ATOM 180 C LYS A 16 18.833 -17.215 2.336 1.00 0.00 C ATOM 181 O LYS A 16 19.203 -17.343 1.168 1.00 0.00 O ATOM 182 CB LYS A 16 20.905 -16.534 3.561 1.00 0.00 C ATOM 183 CG LYS A 16 20.514 -15.232 4.239 1.00 0.00 C ATOM 184 CD LYS A 16 20.463 -15.384 5.750 1.00 0.00 C ATOM 185 CE LYS A 16 21.815 -15.098 6.386 1.00 0.00 C ATOM 186 NZ LYS A 16 21.810 -15.378 7.848 1.00 0.00 N ATOM 0 H LYS A 16 20.454 -19.195 2.383 1.00 0.00 H new ATOM 0 HA LYS A 16 19.196 -17.516 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.746 -16.975 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.249 -16.318 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.230 -14.454 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.540 -14.908 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.716 -14.704 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.147 -16.396 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.580 -15.706 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.083 -14.055 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.749 -15.171 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.098 -14.780 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.580 -16.379 8.009 1.00 0.00 H new ATOM 200 N LEU A 17 17.622 -16.781 2.667 1.00 0.00 N ATOM 201 CA LEU A 17 16.635 -16.421 1.655 1.00 0.00 C ATOM 202 C LEU A 17 15.663 -15.374 2.190 1.00 0.00 C ATOM 203 O LEU A 17 15.266 -15.421 3.354 1.00 0.00 O ATOM 204 CB LEU A 17 15.866 -17.662 1.200 1.00 0.00 C ATOM 205 CG LEU A 17 14.602 -17.405 0.379 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.853 -16.328 -0.665 1.00 0.00 C ATOM 207 CD2 LEU A 17 14.124 -18.690 -0.282 1.00 0.00 C ATOM 0 H LEU A 17 17.300 -16.670 3.628 1.00 0.00 H new ATOM 0 HA LEU A 17 17.164 -15.996 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.538 -18.285 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.590 -18.238 2.083 1.00 0.00 H new ATOM 0 HG LEU A 17 13.820 -17.054 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.942 -16.159 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.147 -15.403 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.650 -16.650 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.224 -18.488 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.903 -19.071 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.903 -19.433 0.484 1.00 0.00 H new ATOM 219 N GLN A 18 15.283 -14.433 1.332 1.00 0.00 N ATOM 220 CA GLN A 18 14.356 -13.376 1.719 1.00 0.00 C ATOM 221 C GLN A 18 13.269 -13.193 0.666 1.00 0.00 C ATOM 222 O GLN A 18 13.501 -13.411 -0.523 1.00 0.00 O ATOM 223 CB GLN A 18 15.108 -12.060 1.928 1.00 0.00 C ATOM 224 CG GLN A 18 15.751 -11.520 0.661 1.00 0.00 C ATOM 225 CD GLN A 18 16.070 -10.041 0.754 1.00 0.00 C ATOM 226 OE1 GLN A 18 15.537 -9.331 1.608 1.00 0.00 O ATOM 227 NE2 GLN A 18 16.946 -9.568 -0.125 1.00 0.00 N ATOM 0 H GLN A 18 15.602 -14.381 0.365 1.00 0.00 H new ATOM 0 HA GLN A 18 13.882 -13.668 2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.417 -11.314 2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.880 -12.208 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.668 -12.074 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.083 -11.691 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.363 -10.192 -0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.201 -8.581 -0.110 1.00 0.00 H new ATOM 236 N GLU A 19 12.082 -12.791 1.110 1.00 0.00 N ATOM 237 CA GLU A 19 10.959 -12.580 0.204 1.00 0.00 C ATOM 238 C GLU A 19 10.797 -11.099 -0.125 1.00 0.00 C ATOM 239 O GLU A 19 11.264 -10.233 0.615 1.00 0.00 O ATOM 240 CB GLU A 19 9.668 -13.120 0.822 1.00 0.00 C ATOM 241 CG GLU A 19 8.586 -13.428 -0.199 1.00 0.00 C ATOM 242 CD GLU A 19 9.020 -14.471 -1.211 1.00 0.00 C ATOM 243 OE1 GLU A 19 9.608 -15.491 -0.798 1.00 0.00 O ATOM 244 OE2 GLU A 19 8.769 -14.266 -2.418 1.00 0.00 O ATOM 0 H GLU A 19 11.873 -12.605 2.091 1.00 0.00 H new ATOM 0 HA GLU A 19 11.164 -13.120 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.895 -14.027 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.285 -12.391 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.693 -13.778 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.313 -12.511 -0.722 1.00 0.00 H new ATOM 251 N GLU A 20 10.133 -10.816 -1.242 1.00 0.00 N ATOM 252 CA GLU A 20 9.910 -9.440 -1.670 1.00 0.00 C ATOM 253 C GLU A 20 8.472 -9.010 -1.396 1.00 0.00 C ATOM 254 O GLU A 20 7.550 -9.826 -1.435 1.00 0.00 O ATOM 255 CB GLU A 20 10.224 -9.289 -3.160 1.00 0.00 C ATOM 256 CG GLU A 20 11.669 -9.600 -3.512 1.00 0.00 C ATOM 257 CD GLU A 20 12.642 -8.598 -2.922 1.00 0.00 C ATOM 258 OE1 GLU A 20 12.211 -7.471 -2.599 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.835 -8.941 -2.783 1.00 0.00 O ATOM 0 H GLU A 20 9.741 -11.521 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 20 10.578 -8.796 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.570 -9.949 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.995 -8.269 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.920 -10.598 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.780 -9.613 -4.596 1.00 0.00 H new ATOM 266 N VAL A 21 8.288 -7.724 -1.117 1.00 0.00 N ATOM 267 CA VAL A 21 6.962 -7.185 -0.836 1.00 0.00 C ATOM 268 C VAL A 21 6.791 -5.800 -1.450 1.00 0.00 C ATOM 269 O VAL A 21 7.663 -4.940 -1.319 1.00 0.00 O ATOM 270 CB VAL A 21 6.700 -7.098 0.679 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.332 -6.493 0.951 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.821 -8.473 1.319 1.00 0.00 C ATOM 0 H VAL A 21 9.040 -7.036 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 21 6.241 -7.870 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 21 7.453 -6.447 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.165 -6.440 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.287 -5.490 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.562 -7.115 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.633 -8.394 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.092 -9.148 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.825 -8.864 1.155 1.00 0.00 H new ATOM 282 N ILE A 22 5.663 -5.590 -2.120 1.00 0.00 N ATOM 283 CA ILE A 22 5.377 -4.309 -2.753 1.00 0.00 C ATOM 284 C ILE A 22 3.919 -3.910 -2.552 1.00 0.00 C ATOM 285 O ILE A 22 3.054 -4.761 -2.345 1.00 0.00 O ATOM 286 CB ILE A 22 5.685 -4.345 -4.261 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.146 -4.736 -4.497 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.384 -2.995 -4.896 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.392 -5.365 -5.850 1.00 0.00 C ATOM 0 H ILE A 22 4.932 -6.291 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 22 6.022 -3.571 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 22 5.047 -5.095 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.772 -3.849 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.457 -5.433 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.607 -3.037 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.331 -2.753 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.999 -2.227 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.448 -5.616 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.793 -6.271 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.112 -4.662 -6.634 1.00 0.00 H new ATOM 301 N CYS A 23 3.653 -2.610 -2.617 1.00 0.00 N ATOM 302 CA CYS A 23 2.300 -2.096 -2.445 1.00 0.00 C ATOM 303 C CYS A 23 1.522 -2.159 -3.756 1.00 0.00 C ATOM 304 O CYS A 23 1.856 -1.494 -4.737 1.00 0.00 O ATOM 305 CB CYS A 23 2.340 -0.655 -1.932 1.00 0.00 C ATOM 306 SG CYS A 23 0.845 -0.147 -1.022 1.00 0.00 S ATOM 0 H CYS A 23 4.358 -1.893 -2.788 1.00 0.00 H new ATOM 0 HA CYS A 23 1.792 -2.722 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.206 -0.536 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.483 0.017 -2.778 1.00 0.00 H new ATOM 311 N PRO A 24 0.460 -2.977 -3.776 1.00 0.00 N ATOM 312 CA PRO A 24 -0.388 -3.146 -4.960 1.00 0.00 C ATOM 313 C PRO A 24 -1.217 -1.903 -5.262 1.00 0.00 C ATOM 314 O PRO A 24 -1.982 -1.875 -6.226 1.00 0.00 O ATOM 315 CB PRO A 24 -1.298 -4.317 -4.580 1.00 0.00 C ATOM 316 CG PRO A 24 -1.344 -4.294 -3.091 1.00 0.00 C ATOM 317 CD PRO A 24 0.004 -3.800 -2.643 1.00 0.00 C ATOM 0 HA PRO A 24 0.200 -3.320 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.293 -4.200 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.901 -5.263 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.138 -3.638 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.548 -5.287 -2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.067 -3.216 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.688 -4.625 -2.444 1.00 0.00 H new ATOM 325 N ILE A 25 -1.059 -0.876 -4.433 1.00 0.00 N ATOM 326 CA ILE A 25 -1.792 0.370 -4.613 1.00 0.00 C ATOM 327 C ILE A 25 -0.941 1.409 -5.335 1.00 0.00 C ATOM 328 O ILE A 25 -1.272 1.841 -6.440 1.00 0.00 O ATOM 329 CB ILE A 25 -2.256 0.951 -3.264 1.00 0.00 C ATOM 330 CG1 ILE A 25 -3.148 -0.054 -2.532 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.993 2.264 -3.478 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.079 0.062 -1.025 1.00 0.00 C ATOM 0 H ILE A 25 -0.430 -0.883 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.667 0.136 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.378 1.146 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.180 0.088 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.860 -1.064 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.314 2.662 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.329 2.979 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.865 2.093 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.736 -0.681 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.055 -0.110 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.396 1.060 -0.722 1.00 0.00 H new ATOM 344 N CYS A 26 0.160 1.806 -4.704 1.00 0.00 N ATOM 345 CA CYS A 26 1.061 2.794 -5.286 1.00 0.00 C ATOM 346 C CYS A 26 2.122 2.119 -6.151 1.00 0.00 C ATOM 347 O CYS A 26 2.721 2.750 -7.023 1.00 0.00 O ATOM 348 CB CYS A 26 1.732 3.614 -4.183 1.00 0.00 C ATOM 349 SG CYS A 26 2.417 2.613 -2.823 1.00 0.00 S ATOM 0 H CYS A 26 0.449 1.458 -3.790 1.00 0.00 H new ATOM 0 HA CYS A 26 0.472 3.460 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.534 4.207 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.005 4.315 -3.773 1.00 0.00 H new ATOM 354 N LEU A 27 2.349 0.834 -5.904 1.00 0.00 N ATOM 355 CA LEU A 27 3.337 0.072 -6.660 1.00 0.00 C ATOM 356 C LEU A 27 4.741 0.622 -6.428 1.00 0.00 C ATOM 357 O LEU A 27 5.496 0.842 -7.375 1.00 0.00 O ATOM 358 CB LEU A 27 3.003 0.107 -8.152 1.00 0.00 C ATOM 359 CG LEU A 27 1.635 -0.450 -8.547 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.315 -0.103 -9.993 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.591 -1.957 -8.336 1.00 0.00 C ATOM 0 H LEU A 27 1.862 0.297 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 27 3.309 -0.961 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.065 1.140 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.769 -0.452 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 27 0.879 0.008 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.338 -0.508 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.304 0.980 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.074 -0.533 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.610 -2.336 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.357 -2.433 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.775 -2.183 -7.286 1.00 0.00 H new ATOM 373 N ASP A 28 5.084 0.839 -5.163 1.00 0.00 N ATOM 374 CA ASP A 28 6.399 1.359 -4.806 1.00 0.00 C ATOM 375 C ASP A 28 6.974 0.609 -3.609 1.00 0.00 C ATOM 376 O ASP A 28 6.274 -0.165 -2.955 1.00 0.00 O ATOM 377 CB ASP A 28 6.312 2.854 -4.493 1.00 0.00 C ATOM 378 CG ASP A 28 6.405 3.712 -5.739 1.00 0.00 C ATOM 379 OD1 ASP A 28 5.654 3.446 -6.701 1.00 0.00 O ATOM 380 OD2 ASP A 28 7.227 4.652 -5.752 1.00 0.00 O ATOM 0 H ASP A 28 4.470 0.663 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 28 7.064 1.212 -5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.372 3.061 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.114 3.126 -3.807 1.00 0.00 H new ATOM 385 N ILE A 29 8.252 0.842 -3.329 1.00 0.00 N ATOM 386 CA ILE A 29 8.919 0.188 -2.210 1.00 0.00 C ATOM 387 C ILE A 29 8.233 0.520 -0.890 1.00 0.00 C ATOM 388 O ILE A 29 7.958 1.684 -0.596 1.00 0.00 O ATOM 389 CB ILE A 29 10.402 0.597 -2.123 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.133 0.225 -3.414 1.00 0.00 C ATOM 391 CG2 ILE A 29 11.064 -0.065 -0.924 1.00 0.00 C ATOM 392 CD1 ILE A 29 12.307 1.127 -3.725 1.00 0.00 C ATOM 0 H ILE A 29 8.846 1.478 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 29 8.856 -0.885 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 29 10.459 1.678 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.485 -0.804 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.428 0.261 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.111 0.233 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.556 0.245 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.000 -1.148 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.778 0.804 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.958 2.154 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.032 1.073 -2.913 1.00 0.00 H new ATOM 404 N LEU A 30 7.961 -0.509 -0.096 1.00 0.00 N ATOM 405 CA LEU A 30 7.308 -0.327 1.196 1.00 0.00 C ATOM 406 C LEU A 30 8.288 0.220 2.229 1.00 0.00 C ATOM 407 O LEU A 30 9.111 -0.519 2.770 1.00 0.00 O ATOM 408 CB LEU A 30 6.722 -1.653 1.685 1.00 0.00 C ATOM 409 CG LEU A 30 5.263 -1.919 1.313 1.00 0.00 C ATOM 410 CD1 LEU A 30 5.179 -2.736 0.033 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.544 -2.630 2.450 1.00 0.00 C ATOM 0 H LEU A 30 8.182 -1.478 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 30 6.501 0.395 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.331 -2.465 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.812 -1.689 2.771 1.00 0.00 H new ATOM 0 HG LEU A 30 4.771 -0.961 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.133 -2.916 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.657 -2.189 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.687 -3.690 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.507 -2.811 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.036 -3.581 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.573 -2.008 3.344 1.00 0.00 H new ATOM 423 N GLN A 31 8.193 1.518 2.499 1.00 0.00 N ATOM 424 CA GLN A 31 9.071 2.163 3.468 1.00 0.00 C ATOM 425 C GLN A 31 8.826 1.617 4.872 1.00 0.00 C ATOM 426 O GLN A 31 9.676 1.739 5.754 1.00 0.00 O ATOM 427 CB GLN A 31 8.857 3.677 3.453 1.00 0.00 C ATOM 428 CG GLN A 31 9.081 4.309 2.088 1.00 0.00 C ATOM 429 CD GLN A 31 10.545 4.580 1.803 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.218 3.786 1.145 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.046 5.705 2.298 1.00 0.00 N ATOM 0 H GLN A 31 7.517 2.143 2.060 1.00 0.00 H new ATOM 0 HA GLN A 31 10.102 1.946 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.841 3.895 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.533 4.138 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.681 3.651 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.524 5.244 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.451 6.334 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.026 5.941 2.139 1.00 0.00 H new ATOM 440 N LYS A 32 7.658 1.016 5.072 1.00 0.00 N ATOM 441 CA LYS A 32 7.300 0.451 6.367 1.00 0.00 C ATOM 442 C LYS A 32 6.220 -0.616 6.216 1.00 0.00 C ATOM 443 O LYS A 32 5.038 -0.318 6.050 1.00 0.00 O ATOM 444 CB LYS A 32 6.813 1.553 7.311 1.00 0.00 C ATOM 445 CG LYS A 32 7.902 2.531 7.716 1.00 0.00 C ATOM 446 CD LYS A 32 7.394 3.542 8.731 1.00 0.00 C ATOM 447 CE LYS A 32 7.194 2.906 10.098 1.00 0.00 C ATOM 448 NZ LYS A 32 6.812 3.913 11.127 1.00 0.00 N ATOM 0 H LYS A 32 6.943 0.908 4.353 1.00 0.00 H new ATOM 0 HA LYS A 32 8.190 -0.015 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.004 2.102 6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.396 1.094 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.746 1.984 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.270 3.054 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.103 4.366 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.452 3.966 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.420 2.141 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.113 2.405 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.685 3.441 12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.562 4.629 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.922 4.374 10.848 1.00 0.00 H new ATOM 462 N PRO A 33 6.635 -1.891 6.275 1.00 0.00 N ATOM 463 CA PRO A 33 5.718 -3.028 6.148 1.00 0.00 C ATOM 464 C PRO A 33 4.798 -3.168 7.356 1.00 0.00 C ATOM 465 O PRO A 33 5.249 -3.131 8.501 1.00 0.00 O ATOM 466 CB PRO A 33 6.658 -4.232 6.050 1.00 0.00 C ATOM 467 CG PRO A 33 7.906 -3.795 6.735 1.00 0.00 C ATOM 468 CD PRO A 33 8.030 -2.320 6.471 1.00 0.00 C ATOM 0 HA PRO A 33 5.050 -2.920 5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.228 -5.110 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.850 -4.501 5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.855 -3.997 7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.772 -4.334 6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.497 -1.800 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.640 -2.119 5.590 1.00 0.00 H new ATOM 476 N VAL A 34 3.505 -3.329 7.094 1.00 0.00 N ATOM 477 CA VAL A 34 2.521 -3.476 8.160 1.00 0.00 C ATOM 478 C VAL A 34 1.508 -4.565 7.826 1.00 0.00 C ATOM 479 O VAL A 34 0.602 -4.361 7.018 1.00 0.00 O ATOM 480 CB VAL A 34 1.772 -2.155 8.419 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.758 -2.327 9.540 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.754 -1.040 8.743 1.00 0.00 C ATOM 0 H VAL A 34 3.114 -3.361 6.152 1.00 0.00 H new ATOM 0 HA VAL A 34 3.069 -3.757 9.060 1.00 0.00 H new ATOM 0 HB VAL A 34 1.232 -1.880 7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.239 -1.384 9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.035 -3.094 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.272 -2.626 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.207 -0.114 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.323 -1.304 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.436 -0.901 7.904 1.00 0.00 H new ATOM 492 N THR A 35 1.667 -5.726 8.455 1.00 0.00 N ATOM 493 CA THR A 35 0.767 -6.849 8.225 1.00 0.00 C ATOM 494 C THR A 35 -0.629 -6.554 8.761 1.00 0.00 C ATOM 495 O THR A 35 -0.822 -6.412 9.969 1.00 0.00 O ATOM 496 CB THR A 35 1.296 -8.137 8.884 1.00 0.00 C ATOM 497 OG1 THR A 35 2.681 -8.316 8.567 1.00 0.00 O ATOM 498 CG2 THR A 35 0.503 -9.349 8.417 1.00 0.00 C ATOM 0 H THR A 35 2.411 -5.913 9.128 1.00 0.00 H new ATOM 0 HA THR A 35 0.715 -6.996 7.146 1.00 0.00 H new ATOM 0 HB THR A 35 1.180 -8.041 9.964 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.925 -7.727 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.895 -10.247 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.546 -9.223 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.591 -9.447 7.335 1.00 0.00 H new ATOM 506 N ILE A 36 -1.598 -6.464 7.857 1.00 0.00 N ATOM 507 CA ILE A 36 -2.977 -6.188 8.241 1.00 0.00 C ATOM 508 C ILE A 36 -3.733 -7.478 8.542 1.00 0.00 C ATOM 509 O ILE A 36 -3.341 -8.557 8.098 1.00 0.00 O ATOM 510 CB ILE A 36 -3.724 -5.414 7.139 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.131 -5.738 5.766 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.663 -3.918 7.408 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.921 -5.158 4.614 1.00 0.00 C ATOM 0 H ILE A 36 -1.454 -6.578 6.854 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.937 -5.575 9.141 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.769 -5.722 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.110 -5.360 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.076 -6.820 5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.195 -3.385 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.127 -3.702 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.623 -3.594 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.443 -5.428 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.936 -5.555 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.955 -4.072 4.706 1.00 0.00 H new ATOM 525 N ASP A 37 -4.819 -7.358 9.298 1.00 0.00 N ATOM 526 CA ASP A 37 -5.632 -8.514 9.657 1.00 0.00 C ATOM 527 C ASP A 37 -6.042 -9.297 8.414 1.00 0.00 C ATOM 528 O ASP A 37 -6.464 -10.450 8.504 1.00 0.00 O ATOM 529 CB ASP A 37 -6.876 -8.069 10.428 1.00 0.00 C ATOM 530 CG ASP A 37 -7.675 -9.241 10.963 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.176 -9.933 11.876 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.800 -9.467 10.470 1.00 0.00 O ATOM 0 H ASP A 37 -5.157 -6.472 9.674 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.033 -9.165 10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.576 -7.429 11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.510 -7.469 9.775 1.00 0.00 H new ATOM 537 N CYS A 38 -5.915 -8.662 7.253 1.00 0.00 N ATOM 538 CA CYS A 38 -6.273 -9.298 5.991 1.00 0.00 C ATOM 539 C CYS A 38 -5.250 -10.363 5.608 1.00 0.00 C ATOM 540 O CYS A 38 -5.579 -11.345 4.944 1.00 0.00 O ATOM 541 CB CYS A 38 -6.375 -8.251 4.880 1.00 0.00 C ATOM 542 SG CYS A 38 -4.810 -7.947 3.998 1.00 0.00 S ATOM 0 H CYS A 38 -5.567 -7.708 7.161 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.242 -9.780 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.128 -8.572 4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.725 -7.313 5.311 1.00 0.00 H new ATOM 547 N GLY A 39 -4.006 -10.161 6.034 1.00 0.00 N ATOM 548 CA GLY A 39 -2.954 -11.112 5.727 1.00 0.00 C ATOM 549 C GLY A 39 -1.797 -10.476 4.982 1.00 0.00 C ATOM 550 O GLY A 39 -0.638 -10.635 5.367 1.00 0.00 O ATOM 0 H GLY A 39 -3.709 -9.356 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.587 -11.554 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.366 -11.924 5.127 1.00 0.00 H new ATOM 554 N HIS A 40 -2.110 -9.755 3.910 1.00 0.00 N ATOM 555 CA HIS A 40 -1.088 -9.093 3.108 1.00 0.00 C ATOM 556 C HIS A 40 -0.595 -7.824 3.795 1.00 0.00 C ATOM 557 O HIS A 40 -1.171 -7.380 4.787 1.00 0.00 O ATOM 558 CB HIS A 40 -1.636 -8.756 1.721 1.00 0.00 C ATOM 559 CG HIS A 40 -2.530 -9.817 1.156 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.903 -9.694 1.103 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.240 -11.024 0.617 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.419 -10.781 0.557 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.431 -11.603 0.252 1.00 0.00 N ATOM 0 H HIS A 40 -3.064 -9.614 3.577 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.246 -9.777 3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.189 -7.818 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.801 -8.595 1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.256 -11.452 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.470 -10.966 0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.536 -12.519 -0.184 1.00 0.00 H new ATOM 571 N ASN A 41 0.476 -7.245 3.261 1.00 0.00 N ATOM 572 CA ASN A 41 1.047 -6.027 3.825 1.00 0.00 C ATOM 573 C ASN A 41 0.798 -4.834 2.907 1.00 0.00 C ATOM 574 O ASN A 41 0.373 -4.995 1.762 1.00 0.00 O ATOM 575 CB ASN A 41 2.549 -6.202 4.055 1.00 0.00 C ATOM 576 CG ASN A 41 2.852 -7.158 5.193 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.859 -6.768 6.361 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.104 -8.418 4.856 1.00 0.00 N ATOM 0 H ASN A 41 0.965 -7.599 2.439 1.00 0.00 H new ATOM 0 HA ASN A 41 0.559 -5.836 4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.013 -6.571 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.996 -5.232 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.314 -9.107 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.087 -8.697 3.875 1.00 0.00 H new ATOM 585 N PHE A 42 1.065 -3.636 3.416 1.00 0.00 N ATOM 586 CA PHE A 42 0.870 -2.415 2.643 1.00 0.00 C ATOM 587 C PHE A 42 1.759 -1.291 3.167 1.00 0.00 C ATOM 588 O PHE A 42 2.273 -1.360 4.284 1.00 0.00 O ATOM 589 CB PHE A 42 -0.597 -1.985 2.691 1.00 0.00 C ATOM 590 CG PHE A 42 -1.494 -2.814 1.818 1.00 0.00 C ATOM 591 CD1 PHE A 42 -1.939 -4.057 2.239 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.894 -2.350 0.574 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.763 -4.822 1.437 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.719 -3.111 -0.233 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.155 -4.348 0.200 1.00 0.00 C ATOM 0 H PHE A 42 1.417 -3.485 4.361 1.00 0.00 H new ATOM 0 HA PHE A 42 1.147 -2.621 1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.951 -2.043 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.671 -0.941 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.638 -4.432 3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.557 -1.383 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.101 -5.790 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.022 -2.739 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.801 -4.944 -0.427 1.00 0.00 H new ATOM 605 N CYS A 43 1.937 -0.257 2.352 1.00 0.00 N ATOM 606 CA CYS A 43 2.764 0.882 2.731 1.00 0.00 C ATOM 607 C CYS A 43 1.970 1.873 3.578 1.00 0.00 C ATOM 608 O CYS A 43 0.808 2.162 3.289 1.00 0.00 O ATOM 609 CB CYS A 43 3.308 1.582 1.484 1.00 0.00 C ATOM 610 SG CYS A 43 2.239 2.915 0.853 1.00 0.00 S ATOM 0 H CYS A 43 1.519 -0.184 1.424 1.00 0.00 H new ATOM 0 HA CYS A 43 3.599 0.511 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.290 1.996 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.449 0.841 0.697 1.00 0.00 H new ATOM 615 N LEU A 44 2.605 2.391 4.624 1.00 0.00 N ATOM 616 CA LEU A 44 1.959 3.350 5.513 1.00 0.00 C ATOM 617 C LEU A 44 1.269 4.452 4.716 1.00 0.00 C ATOM 618 O LEU A 44 0.109 4.782 4.967 1.00 0.00 O ATOM 619 CB LEU A 44 2.986 3.962 6.467 1.00 0.00 C ATOM 620 CG LEU A 44 2.420 4.795 7.618 1.00 0.00 C ATOM 621 CD1 LEU A 44 3.468 4.988 8.703 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.924 6.140 7.109 1.00 0.00 C ATOM 0 H LEU A 44 3.566 2.163 4.877 1.00 0.00 H new ATOM 0 HA LEU A 44 1.204 2.819 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.586 3.156 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.661 4.591 5.887 1.00 0.00 H new ATOM 0 HG LEU A 44 1.575 4.258 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.047 5.583 9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.776 4.016 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.333 5.504 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.525 6.719 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.751 6.684 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.140 5.982 6.368 1.00 0.00 H new ATOM 634 N LYS A 45 1.988 5.017 3.752 1.00 0.00 N ATOM 635 CA LYS A 45 1.444 6.080 2.915 1.00 0.00 C ATOM 636 C LYS A 45 0.078 5.690 2.360 1.00 0.00 C ATOM 637 O LYS A 45 -0.756 6.551 2.075 1.00 0.00 O ATOM 638 CB LYS A 45 2.404 6.391 1.764 1.00 0.00 C ATOM 639 CG LYS A 45 3.791 6.806 2.224 1.00 0.00 C ATOM 640 CD LYS A 45 3.891 8.311 2.406 1.00 0.00 C ATOM 641 CE LYS A 45 3.929 9.033 1.067 1.00 0.00 C ATOM 642 NZ LYS A 45 3.483 10.448 1.188 1.00 0.00 N ATOM 0 H LYS A 45 2.949 4.756 3.531 1.00 0.00 H new ATOM 0 HA LYS A 45 1.325 6.970 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.490 5.511 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.979 7.188 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.027 6.308 3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.531 6.477 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.040 8.666 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.789 8.551 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.943 9.005 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.291 8.511 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.523 10.906 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.507 10.475 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.107 10.953 1.849 1.00 0.00 H new ATOM 656 N CYS A 46 -0.146 4.389 2.210 1.00 0.00 N ATOM 657 CA CYS A 46 -1.411 3.885 1.691 1.00 0.00 C ATOM 658 C CYS A 46 -2.363 3.528 2.829 1.00 0.00 C ATOM 659 O CYS A 46 -3.521 3.947 2.838 1.00 0.00 O ATOM 660 CB CYS A 46 -1.172 2.659 0.807 1.00 0.00 C ATOM 661 SG CYS A 46 -0.924 3.049 -0.955 1.00 0.00 S ATOM 0 H CYS A 46 0.533 3.664 2.441 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.868 4.672 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.297 2.123 1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.023 1.984 0.902 1.00 0.00 H new ATOM 666 N ILE A 47 -1.867 2.752 3.786 1.00 0.00 N ATOM 667 CA ILE A 47 -2.672 2.340 4.929 1.00 0.00 C ATOM 668 C ILE A 47 -3.292 3.545 5.628 1.00 0.00 C ATOM 669 O ILE A 47 -4.432 3.491 6.091 1.00 0.00 O ATOM 670 CB ILE A 47 -1.836 1.543 5.948 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.342 0.236 5.325 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.654 1.264 7.201 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.351 -0.510 6.192 1.00 0.00 C ATOM 0 H ILE A 47 -0.911 2.396 3.793 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.465 1.700 4.542 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.968 2.139 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.198 -0.409 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.879 0.454 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.050 0.700 7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.960 2.207 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.538 0.684 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.044 -1.426 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.523 0.117 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.817 -0.759 7.145 1.00 0.00 H new ATOM 685 N THR A 48 -2.534 4.635 5.700 1.00 0.00 N ATOM 686 CA THR A 48 -3.008 5.855 6.342 1.00 0.00 C ATOM 687 C THR A 48 -3.909 6.653 5.406 1.00 0.00 C ATOM 688 O THR A 48 -5.112 6.769 5.638 1.00 0.00 O ATOM 689 CB THR A 48 -1.835 6.746 6.791 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.108 6.104 7.845 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.336 8.101 7.266 1.00 0.00 C ATOM 0 H THR A 48 -1.589 4.698 5.321 1.00 0.00 H new ATOM 0 HA THR A 48 -3.578 5.550 7.219 1.00 0.00 H new ATOM 0 HB THR A 48 -1.176 6.899 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.713 6.783 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.490 8.713 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.864 8.599 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.014 7.963 8.108 1.00 0.00 H new ATOM 699 N GLN A 49 -3.319 7.202 4.349 1.00 0.00 N ATOM 700 CA GLN A 49 -4.069 7.990 3.379 1.00 0.00 C ATOM 701 C GLN A 49 -5.427 7.355 3.096 1.00 0.00 C ATOM 702 O GLN A 49 -6.457 8.030 3.127 1.00 0.00 O ATOM 703 CB GLN A 49 -3.276 8.126 2.078 1.00 0.00 C ATOM 704 CG GLN A 49 -2.104 9.089 2.179 1.00 0.00 C ATOM 705 CD GLN A 49 -2.544 10.538 2.250 1.00 0.00 C ATOM 706 OE1 GLN A 49 -2.841 11.057 3.327 1.00 0.00 O ATOM 707 NE2 GLN A 49 -2.589 11.201 1.100 1.00 0.00 N ATOM 0 H GLN A 49 -2.324 7.115 4.143 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.232 8.981 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.905 7.144 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.946 8.463 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.516 8.848 3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.452 8.953 1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.334 10.732 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.878 12.179 1.086 1.00 0.00 H new ATOM 716 N ILE A 50 -5.421 6.055 2.821 1.00 0.00 N ATOM 717 CA ILE A 50 -6.652 5.330 2.533 1.00 0.00 C ATOM 718 C ILE A 50 -7.581 5.322 3.743 1.00 0.00 C ATOM 719 O ILE A 50 -8.795 5.474 3.608 1.00 0.00 O ATOM 720 CB ILE A 50 -6.365 3.877 2.112 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.470 3.850 0.871 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.666 3.134 1.849 1.00 0.00 C ATOM 723 CD1 ILE A 50 -4.721 2.548 0.694 1.00 0.00 C ATOM 0 H ILE A 50 -4.577 5.482 2.792 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.138 5.850 1.707 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.842 3.376 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.082 4.030 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.752 4.667 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.446 2.109 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.271 3.128 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.215 3.633 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.107 2.601 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.082 2.375 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.433 1.728 0.599 1.00 0.00 H new ATOM 735 N GLY A 51 -7.001 5.146 4.926 1.00 0.00 N ATOM 736 CA GLY A 51 -7.791 5.124 6.143 1.00 0.00 C ATOM 737 C GLY A 51 -8.648 6.364 6.301 1.00 0.00 C ATOM 738 O GLY A 51 -9.774 6.290 6.793 1.00 0.00 O ATOM 0 H GLY A 51 -5.998 5.018 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.431 4.242 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.126 5.034 7.002 1.00 0.00 H new ATOM 742 N GLU A 52 -8.113 7.508 5.886 1.00 0.00 N ATOM 743 CA GLU A 52 -8.836 8.770 5.987 1.00 0.00 C ATOM 744 C GLU A 52 -9.933 8.855 4.929 1.00 0.00 C ATOM 745 O GLU A 52 -11.122 8.852 5.249 1.00 0.00 O ATOM 746 CB GLU A 52 -7.872 9.949 5.833 1.00 0.00 C ATOM 747 CG GLU A 52 -6.761 9.966 6.870 1.00 0.00 C ATOM 748 CD GLU A 52 -5.970 11.259 6.855 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.626 11.733 5.752 1.00 0.00 O ATOM 750 OE2 GLU A 52 -5.695 11.798 7.948 1.00 0.00 O ATOM 0 H GLU A 52 -7.182 7.587 5.477 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.301 8.815 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.428 9.917 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.435 10.880 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.191 9.819 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.086 9.129 6.688 1.00 0.00 H new ATOM 757 N THR A 53 -9.525 8.931 3.666 1.00 0.00 N ATOM 758 CA THR A 53 -10.471 9.019 2.561 1.00 0.00 C ATOM 759 C THR A 53 -11.605 8.013 2.727 1.00 0.00 C ATOM 760 O THR A 53 -12.764 8.319 2.450 1.00 0.00 O ATOM 761 CB THR A 53 -9.778 8.775 1.207 1.00 0.00 C ATOM 762 OG1 THR A 53 -10.730 8.880 0.143 1.00 0.00 O ATOM 763 CG2 THR A 53 -9.123 7.402 1.174 1.00 0.00 C ATOM 0 H THR A 53 -8.545 8.933 3.383 1.00 0.00 H new ATOM 0 HA THR A 53 -10.880 10.029 2.575 1.00 0.00 H new ATOM 0 HB THR A 53 -9.005 9.533 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.281 8.725 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.640 7.252 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.378 7.335 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.881 6.633 1.323 1.00 0.00 H new ATOM 771 N SER A 54 -11.262 6.812 3.183 1.00 0.00 N ATOM 772 CA SER A 54 -12.252 5.760 3.383 1.00 0.00 C ATOM 773 C SER A 54 -12.923 5.898 4.746 1.00 0.00 C ATOM 774 O SER A 54 -12.256 6.108 5.760 1.00 0.00 O ATOM 775 CB SER A 54 -11.596 4.384 3.261 1.00 0.00 C ATOM 776 OG SER A 54 -10.730 4.133 4.355 1.00 0.00 O ATOM 0 H SER A 54 -10.307 6.544 3.421 1.00 0.00 H new ATOM 0 HA SER A 54 -13.015 5.860 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.366 3.613 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.035 4.327 2.328 1.00 0.00 H new ATOM 0 HG SER A 54 -9.799 4.198 4.057 1.00 0.00 H new ATOM 782 N CYS A 55 -14.246 5.778 4.762 1.00 0.00 N ATOM 783 CA CYS A 55 -15.008 5.889 6.000 1.00 0.00 C ATOM 784 C CYS A 55 -15.498 4.521 6.462 1.00 0.00 C ATOM 785 O CYS A 55 -16.066 3.757 5.682 1.00 0.00 O ATOM 786 CB CYS A 55 -16.197 6.832 5.808 1.00 0.00 C ATOM 787 SG CYS A 55 -17.467 6.199 4.686 1.00 0.00 S ATOM 0 H CYS A 55 -14.813 5.604 3.932 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.350 6.297 6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.651 7.030 6.779 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -15.833 7.786 5.426 1.00 0.00 H new ATOM 0 HG CYS A 55 -17.399 4.902 4.641 1.00 0.00 H new ATOM 793 N GLY A 56 -15.273 4.217 7.737 1.00 0.00 N ATOM 794 CA GLY A 56 -15.696 2.939 8.281 1.00 0.00 C ATOM 795 C GLY A 56 -14.534 1.993 8.508 1.00 0.00 C ATOM 796 O GLY A 56 -13.872 2.048 9.544 1.00 0.00 O ATOM 0 H GLY A 56 -14.806 4.833 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.216 3.103 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.410 2.476 7.600 1.00 0.00 H new ATOM 800 N PHE A 57 -14.286 1.120 7.537 1.00 0.00 N ATOM 801 CA PHE A 57 -13.198 0.154 7.637 1.00 0.00 C ATOM 802 C PHE A 57 -12.300 0.217 6.405 1.00 0.00 C ATOM 803 O PHE A 57 -12.664 0.807 5.387 1.00 0.00 O ATOM 804 CB PHE A 57 -13.756 -1.261 7.803 1.00 0.00 C ATOM 805 CG PHE A 57 -14.938 -1.546 6.921 1.00 0.00 C ATOM 806 CD1 PHE A 57 -14.763 -1.837 5.578 1.00 0.00 C ATOM 807 CD2 PHE A 57 -16.225 -1.523 7.436 1.00 0.00 C ATOM 808 CE1 PHE A 57 -15.849 -2.099 4.765 1.00 0.00 C ATOM 809 CE2 PHE A 57 -17.315 -1.785 6.627 1.00 0.00 C ATOM 810 CZ PHE A 57 -17.126 -2.074 5.290 1.00 0.00 C ATOM 0 H PHE A 57 -14.824 1.062 6.672 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.602 0.407 8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.968 -1.982 7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.045 -1.409 8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.767 -1.859 5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.378 -1.298 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.699 -2.323 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.313 -1.764 7.040 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.976 -2.280 4.656 1.00 0.00 H new ATOM 820 N PHE A 58 -11.124 -0.394 6.505 1.00 0.00 N ATOM 821 CA PHE A 58 -10.173 -0.407 5.400 1.00 0.00 C ATOM 822 C PHE A 58 -10.273 -1.710 4.611 1.00 0.00 C ATOM 823 O PHE A 58 -10.177 -2.800 5.175 1.00 0.00 O ATOM 824 CB PHE A 58 -8.747 -0.223 5.924 1.00 0.00 C ATOM 825 CG PHE A 58 -7.691 -0.713 4.975 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.310 -2.045 4.969 1.00 0.00 C ATOM 827 CD2 PHE A 58 -7.080 0.159 4.089 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.339 -2.499 4.097 1.00 0.00 C ATOM 829 CE2 PHE A 58 -6.109 -0.289 3.213 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.737 -1.619 3.218 1.00 0.00 C ATOM 0 H PHE A 58 -10.807 -0.887 7.340 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.417 0.420 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.578 0.834 6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.646 -0.752 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.778 -2.737 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.365 1.201 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.051 -3.540 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.642 0.400 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.977 -1.971 2.536 1.00 0.00 H new ATOM 840 N LYS A 59 -10.466 -1.588 3.302 1.00 0.00 N ATOM 841 CA LYS A 59 -10.578 -2.754 2.434 1.00 0.00 C ATOM 842 C LYS A 59 -9.254 -3.040 1.733 1.00 0.00 C ATOM 843 O LYS A 59 -8.417 -2.150 1.577 1.00 0.00 O ATOM 844 CB LYS A 59 -11.680 -2.537 1.394 1.00 0.00 C ATOM 845 CG LYS A 59 -11.331 -1.496 0.345 1.00 0.00 C ATOM 846 CD LYS A 59 -11.767 -0.105 0.772 1.00 0.00 C ATOM 847 CE LYS A 59 -12.027 0.791 -0.430 1.00 0.00 C ATOM 848 NZ LYS A 59 -13.235 0.364 -1.188 1.00 0.00 N ATOM 0 H LYS A 59 -10.548 -0.693 2.819 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.834 -3.613 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.891 -3.484 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.594 -2.234 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.255 -1.503 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.811 -1.755 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.671 -0.176 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.997 0.342 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.153 1.821 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.160 0.775 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.597 1.165 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.985 -0.417 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.968 0.046 -0.522 1.00 0.00 H new ATOM 862 N CYS A 60 -9.070 -4.287 1.311 1.00 0.00 N ATOM 863 CA CYS A 60 -7.848 -4.690 0.626 1.00 0.00 C ATOM 864 C CYS A 60 -8.144 -5.114 -0.810 1.00 0.00 C ATOM 865 O CYS A 60 -9.070 -5.879 -1.080 1.00 0.00 O ATOM 866 CB CYS A 60 -7.172 -5.838 1.378 1.00 0.00 C ATOM 867 SG CYS A 60 -5.715 -6.527 0.530 1.00 0.00 S ATOM 0 H CYS A 60 -9.752 -5.036 1.432 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.175 -3.833 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.872 -5.485 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.899 -6.635 1.533 1.00 0.00 H new ATOM 872 N PRO A 61 -7.339 -4.605 -1.755 1.00 0.00 N ATOM 873 CA PRO A 61 -7.494 -4.917 -3.179 1.00 0.00 C ATOM 874 C PRO A 61 -7.122 -6.360 -3.500 1.00 0.00 C ATOM 875 O PRO A 61 -7.754 -7.003 -4.339 1.00 0.00 O ATOM 876 CB PRO A 61 -6.524 -3.950 -3.861 1.00 0.00 C ATOM 877 CG PRO A 61 -5.496 -3.651 -2.825 1.00 0.00 C ATOM 878 CD PRO A 61 -6.215 -3.687 -1.505 1.00 0.00 C ATOM 0 HA PRO A 61 -8.527 -4.810 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.075 -4.399 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.033 -3.043 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.691 -4.385 -2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.042 -2.675 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.569 -4.050 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.562 -2.697 -1.209 1.00 0.00 H new ATOM 886 N LEU A 62 -6.093 -6.865 -2.828 1.00 0.00 N ATOM 887 CA LEU A 62 -5.637 -8.234 -3.041 1.00 0.00 C ATOM 888 C LEU A 62 -6.672 -9.237 -2.541 1.00 0.00 C ATOM 889 O LEU A 62 -6.937 -10.248 -3.192 1.00 0.00 O ATOM 890 CB LEU A 62 -4.302 -8.464 -2.331 1.00 0.00 C ATOM 891 CG LEU A 62 -3.204 -7.439 -2.617 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.971 -7.729 -1.776 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.852 -7.434 -4.098 1.00 0.00 C ATOM 0 H LEU A 62 -5.559 -6.347 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.502 -8.383 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.483 -8.482 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.931 -9.451 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.577 -6.451 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.200 -6.989 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.232 -7.681 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.595 -8.725 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.069 -6.699 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.498 -8.422 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.736 -7.177 -4.681 1.00 0.00 H new ATOM 905 N CYS A 63 -7.255 -8.950 -1.382 1.00 0.00 N ATOM 906 CA CYS A 63 -8.262 -9.825 -0.795 1.00 0.00 C ATOM 907 C CYS A 63 -9.527 -9.848 -1.648 1.00 0.00 C ATOM 908 O CYS A 63 -9.956 -10.904 -2.112 1.00 0.00 O ATOM 909 CB CYS A 63 -8.600 -9.366 0.625 1.00 0.00 C ATOM 910 SG CYS A 63 -7.320 -9.763 1.859 1.00 0.00 S ATOM 0 H CYS A 63 -7.047 -8.118 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.853 -10.834 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.761 -8.288 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.539 -9.827 0.930 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.148 2.186 -1.016 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.392 -8.489 1.785 1.00 0.00 ZN