USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 237 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 : A 21 GLN H : A 20 CYS C : A 43 AGAG :(metal ligand) USER MOD Set 1.1: A 10 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Set 1.2: A 31 ASN : amide:sc= 0 X(o=0,f=0.075) USER MOD Single : A 1 GLN : amide:sc= -0.327 K(o=-0.33,f=-3.6!) USER MOD Single : A 1 GLN N :NH3+ 159:sc= -0.121 (180deg=-0.275) USER MOD Single : A 2 ASN : amide:sc= -0.0323 K(o=-0.032,f=-2.1!) USER MOD Single : A 5 HIS : no HE2:sc= -7.78! C(o=-7.8!,f=-9.8!) USER MOD Single : A 8 GLN : amide:sc= -5.93! C(o=-5.9!,f=-9.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 17 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.3!) USER MOD Single : A 19 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.8!) USER MOD Single : A 21 GLN : amide:sc= -6.09! C(o=-6.1!,f=-8.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 3:sc= 1.18 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 28 THR OG1 : rot 59:sc= 0.126 USER MOD Single : A 32 SER OG : rot 180:sc= -0.334 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -2.294 9.821 -6.407 1.00 0.00 N ATOM 2 CA GLN A 1 -0.847 9.536 -6.624 1.00 0.00 C ATOM 3 C GLN A 1 -0.025 10.046 -5.437 1.00 0.00 C ATOM 4 O GLN A 1 1.145 10.346 -5.564 1.00 0.00 O ATOM 5 CB GLN A 1 -0.478 10.295 -7.897 1.00 0.00 C ATOM 6 CG GLN A 1 -0.941 9.501 -9.117 1.00 0.00 C ATOM 7 CD GLN A 1 -1.493 10.464 -10.168 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.580 11.653 -9.932 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.873 10.001 -11.327 1.00 0.00 N ATOM 0 H1 GLN A 1 -2.791 9.809 -7.321 1.00 0.00 H new ATOM 0 H2 GLN A 1 -2.701 9.096 -5.782 1.00 0.00 H new ATOM 0 H3 GLN A 1 -2.401 10.757 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 1 -0.646 8.469 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.944 11.280 -7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.600 10.452 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.109 8.931 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.708 8.782 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.800 9.003 -11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.243 10.637 -12.034 1.00 0.00 H new ATOM 20 N ASN A 2 -0.630 10.140 -4.285 1.00 0.00 N ATOM 21 CA ASN A 2 0.112 10.625 -3.087 1.00 0.00 C ATOM 22 C ASN A 2 0.855 9.460 -2.433 1.00 0.00 C ATOM 23 O ASN A 2 0.819 9.280 -1.232 1.00 0.00 O ATOM 24 CB ASN A 2 -0.965 11.162 -2.149 1.00 0.00 C ATOM 25 CG ASN A 2 -1.343 12.585 -2.563 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.817 13.112 -3.524 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.241 13.236 -1.873 1.00 0.00 N ATOM 0 H ASN A 2 -1.608 9.901 -4.121 1.00 0.00 H new ATOM 0 HA ASN A 2 0.853 11.385 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.844 10.518 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.602 11.156 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.500 14.185 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.683 12.795 -1.067 1.00 0.00 H new ATOM 34 N GLU A 3 1.519 8.662 -3.218 1.00 0.00 N ATOM 35 CA GLU A 3 2.257 7.499 -2.649 1.00 0.00 C ATOM 36 C GLU A 3 3.718 7.842 -2.450 1.00 0.00 C ATOM 37 O GLU A 3 4.594 7.006 -2.554 1.00 0.00 O ATOM 38 CB GLU A 3 2.116 6.396 -3.690 1.00 0.00 C ATOM 39 CG GLU A 3 2.886 6.790 -4.952 1.00 0.00 C ATOM 40 CD GLU A 3 2.220 6.162 -6.177 1.00 0.00 C ATOM 41 OE1 GLU A 3 1.004 6.064 -6.181 1.00 0.00 O ATOM 42 OE2 GLU A 3 2.937 5.790 -7.092 1.00 0.00 O ATOM 0 H GLU A 3 1.584 8.763 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 3 1.864 7.204 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.500 5.456 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.064 6.236 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.907 7.875 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.921 6.457 -4.877 1.00 0.00 H new ATOM 49 N GLY A 4 3.971 9.054 -2.112 1.00 0.00 N ATOM 50 CA GLY A 4 5.367 9.474 -1.831 1.00 0.00 C ATOM 51 C GLY A 4 5.559 9.239 -0.346 1.00 0.00 C ATOM 52 O GLY A 4 5.897 10.132 0.405 1.00 0.00 O ATOM 0 H GLY A 4 3.270 9.788 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.079 8.893 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.523 10.522 -2.088 1.00 0.00 H new ATOM 56 N HIS A 5 5.267 8.044 0.090 1.00 0.00 N ATOM 57 CA HIS A 5 5.346 7.756 1.543 1.00 0.00 C ATOM 58 C HIS A 5 5.920 6.373 1.831 1.00 0.00 C ATOM 59 O HIS A 5 6.304 5.635 0.944 1.00 0.00 O ATOM 60 CB HIS A 5 3.875 7.802 1.986 1.00 0.00 C ATOM 61 CG HIS A 5 3.070 6.668 1.350 1.00 0.00 C ATOM 62 ND1 HIS A 5 3.625 5.699 0.519 1.00 0.00 N ATOM 63 CD2 HIS A 5 1.743 6.313 1.461 1.00 0.00 C ATOM 64 CE1 HIS A 5 2.645 4.829 0.203 1.00 0.00 C ATOM 65 NE2 HIS A 5 1.490 5.160 0.747 1.00 0.00 N ATOM 0 H HIS A 5 4.979 7.261 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 5 5.999 8.459 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.817 7.728 3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.439 8.761 1.708 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.595 5.655 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.005 6.861 2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.789 3.961 -0.423 1.00 0.00 H new ATOM 73 N GLU A 6 5.929 6.000 3.073 1.00 0.00 N ATOM 74 CA GLU A 6 6.393 4.643 3.419 1.00 0.00 C ATOM 75 C GLU A 6 5.162 3.756 3.411 1.00 0.00 C ATOM 76 O GLU A 6 4.177 4.048 4.060 1.00 0.00 O ATOM 77 CB GLU A 6 6.992 4.723 4.813 1.00 0.00 C ATOM 78 CG GLU A 6 6.001 5.398 5.759 1.00 0.00 C ATOM 79 CD GLU A 6 6.588 6.720 6.256 1.00 0.00 C ATOM 80 OE1 GLU A 6 7.471 6.674 7.096 1.00 0.00 O ATOM 81 OE2 GLU A 6 6.143 7.756 5.790 1.00 0.00 O ATOM 0 H GLU A 6 5.635 6.577 3.861 1.00 0.00 H new ATOM 0 HA GLU A 6 7.138 4.248 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.232 3.723 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.926 5.285 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.057 5.578 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.785 4.744 6.604 1.00 0.00 H new ATOM 88 N CYS A 7 5.187 2.702 2.675 1.00 0.00 N ATOM 89 CA CYS A 7 3.991 1.824 2.624 1.00 0.00 C ATOM 90 C CYS A 7 3.477 1.598 4.044 1.00 0.00 C ATOM 91 O CYS A 7 4.161 1.041 4.880 1.00 0.00 O ATOM 92 CB CYS A 7 4.486 0.544 1.969 1.00 0.00 C ATOM 93 SG CYS A 7 3.075 -0.452 1.442 1.00 0.00 S ATOM 0 H CYS A 7 5.977 2.402 2.104 1.00 0.00 H new ATOM 0 HA CYS A 7 3.156 2.243 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.116 0.782 1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.101 -0.021 2.670 1.00 0.00 H new ATOM 98 N GLN A 8 2.290 2.065 4.337 1.00 0.00 N ATOM 99 CA GLN A 8 1.766 1.912 5.726 1.00 0.00 C ATOM 100 C GLN A 8 0.523 1.026 5.761 1.00 0.00 C ATOM 101 O GLN A 8 -0.360 1.218 6.572 1.00 0.00 O ATOM 102 CB GLN A 8 1.414 3.332 6.171 1.00 0.00 C ATOM 103 CG GLN A 8 2.508 3.867 7.098 1.00 0.00 C ATOM 104 CD GLN A 8 2.966 5.241 6.606 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.965 5.507 5.421 1.00 0.00 O ATOM 106 NE2 GLN A 8 3.360 6.134 7.473 1.00 0.00 N ATOM 0 H GLN A 8 1.668 2.540 3.683 1.00 0.00 H new ATOM 0 HA GLN A 8 2.498 1.436 6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.311 3.981 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.454 3.335 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.131 3.941 8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.351 3.177 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.361 5.912 8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.666 7.053 7.155 1.00 0.00 H new ATOM 115 N CYS A 9 0.444 0.050 4.904 1.00 0.00 N ATOM 116 CA CYS A 9 -0.745 -0.837 4.921 1.00 0.00 C ATOM 117 C CYS A 9 -0.508 -1.988 5.904 1.00 0.00 C ATOM 118 O CYS A 9 0.252 -1.863 6.844 1.00 0.00 O ATOM 119 CB CYS A 9 -0.836 -1.348 3.493 1.00 0.00 C ATOM 120 SG CYS A 9 -1.258 0.010 2.383 1.00 0.00 S ATOM 0 H CYS A 9 1.146 -0.170 4.198 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.660 -0.337 5.237 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.114 -1.792 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.590 -2.133 3.425 1.00 0.00 H new ATOM 125 N GLN A 10 -1.147 -3.106 5.701 1.00 0.00 N ATOM 126 CA GLN A 10 -0.946 -4.256 6.629 1.00 0.00 C ATOM 127 C GLN A 10 -1.121 -5.578 5.877 1.00 0.00 C ATOM 128 O GLN A 10 -1.262 -6.628 6.469 1.00 0.00 O ATOM 129 CB GLN A 10 -2.032 -4.098 7.693 1.00 0.00 C ATOM 130 CG GLN A 10 -1.472 -3.316 8.882 1.00 0.00 C ATOM 131 CD GLN A 10 -2.571 -3.120 9.928 1.00 0.00 C ATOM 132 OE1 GLN A 10 -3.452 -3.945 10.064 1.00 0.00 O ATOM 133 NE2 GLN A 10 -2.556 -2.052 10.679 1.00 0.00 N ATOM 0 H GLN A 10 -1.799 -3.274 4.935 1.00 0.00 H new ATOM 0 HA GLN A 10 0.053 -4.267 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.893 -3.577 7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.381 -5.078 8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.630 -3.853 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.095 -2.349 8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.816 -1.359 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.284 -1.911 11.379 1.00 0.00 H new ATOM 142 N CYS A 11 -1.123 -5.528 4.574 1.00 0.00 N ATOM 143 CA CYS A 11 -1.298 -6.747 3.771 1.00 0.00 C ATOM 144 C CYS A 11 0.044 -7.437 3.565 1.00 0.00 C ATOM 145 O CYS A 11 1.084 -6.916 3.905 1.00 0.00 O ATOM 146 CB CYS A 11 -1.811 -6.232 2.430 1.00 0.00 C ATOM 147 SG CYS A 11 -3.006 -4.889 2.657 1.00 0.00 S ATOM 0 H CYS A 11 -1.008 -4.672 4.031 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.967 -7.466 4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.973 -5.879 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.278 -7.048 1.879 1.00 0.00 H new ATOM 152 N GLY A 12 0.026 -8.589 2.974 1.00 0.00 N ATOM 153 CA GLY A 12 1.299 -9.300 2.701 1.00 0.00 C ATOM 154 C GLY A 12 2.015 -8.573 1.566 1.00 0.00 C ATOM 155 O GLY A 12 3.199 -8.737 1.355 1.00 0.00 O ATOM 0 H GLY A 12 -0.817 -9.073 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.923 -9.319 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.104 -10.337 2.426 1.00 0.00 H new ATOM 159 N SER A 13 1.299 -7.754 0.841 1.00 0.00 N ATOM 160 CA SER A 13 1.927 -6.996 -0.274 1.00 0.00 C ATOM 161 C SER A 13 2.710 -5.809 0.291 1.00 0.00 C ATOM 162 O SER A 13 3.807 -5.513 -0.141 1.00 0.00 O ATOM 163 CB SER A 13 0.760 -6.509 -1.129 1.00 0.00 C ATOM 164 OG SER A 13 0.379 -7.539 -2.032 1.00 0.00 O ATOM 0 H SER A 13 0.303 -7.579 0.976 1.00 0.00 H new ATOM 0 HA SER A 13 2.625 -7.601 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.083 -6.236 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.047 -5.613 -1.680 1.00 0.00 H new ATOM 0 HG SER A 13 -0.371 -7.231 -2.582 1.00 0.00 H new ATOM 170 N CYS A 14 2.156 -5.129 1.261 1.00 0.00 N ATOM 171 CA CYS A 14 2.848 -3.979 1.858 1.00 0.00 C ATOM 172 C CYS A 14 3.695 -4.444 3.049 1.00 0.00 C ATOM 173 O CYS A 14 4.901 -4.299 3.070 1.00 0.00 O ATOM 174 CB CYS A 14 1.705 -3.087 2.328 1.00 0.00 C ATOM 175 SG CYS A 14 0.748 -2.498 0.902 1.00 0.00 S ATOM 0 H CYS A 14 1.241 -5.335 1.661 1.00 0.00 H new ATOM 0 HA CYS A 14 3.525 -3.472 1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.057 -3.641 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.101 -2.238 2.886 1.00 0.00 H new ATOM 180 N LYS A 15 3.056 -5.000 4.039 1.00 0.00 N ATOM 181 CA LYS A 15 3.783 -5.483 5.249 1.00 0.00 C ATOM 182 C LYS A 15 5.092 -6.201 4.875 1.00 0.00 C ATOM 183 O LYS A 15 6.084 -6.088 5.566 1.00 0.00 O ATOM 184 CB LYS A 15 2.793 -6.445 5.929 1.00 0.00 C ATOM 185 CG LYS A 15 2.999 -7.877 5.425 1.00 0.00 C ATOM 186 CD LYS A 15 1.967 -8.797 6.078 1.00 0.00 C ATOM 187 CE LYS A 15 2.486 -10.237 6.070 1.00 0.00 C ATOM 188 NZ LYS A 15 2.099 -10.790 7.398 1.00 0.00 N ATOM 0 H LYS A 15 2.046 -5.143 4.063 1.00 0.00 H new ATOM 0 HA LYS A 15 4.082 -4.663 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.929 -6.411 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.771 -6.126 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.898 -7.911 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.007 -8.217 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.774 -8.475 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.020 -8.738 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.042 -10.813 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.566 -10.267 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.420 -11.776 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.541 -10.226 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.065 -10.754 7.501 1.00 0.00 H new ATOM 202 N ASN A 16 5.100 -6.953 3.807 1.00 0.00 N ATOM 203 CA ASN A 16 6.348 -7.684 3.429 1.00 0.00 C ATOM 204 C ASN A 16 6.804 -7.313 2.014 1.00 0.00 C ATOM 205 O ASN A 16 7.873 -6.767 1.819 1.00 0.00 O ATOM 206 CB ASN A 16 5.966 -9.164 3.494 1.00 0.00 C ATOM 207 CG ASN A 16 7.192 -10.000 3.873 1.00 0.00 C ATOM 208 OD1 ASN A 16 8.274 -9.474 4.040 1.00 0.00 O ATOM 209 ND2 ASN A 16 7.066 -11.293 4.015 1.00 0.00 N ATOM 0 H ASN A 16 4.305 -7.093 3.184 1.00 0.00 H new ATOM 0 HA ASN A 16 7.177 -7.435 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.173 -9.312 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.575 -9.491 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.876 -11.860 4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.158 -11.735 3.875 1.00 0.00 H new ATOM 216 N ASN A 17 6.013 -7.618 1.023 1.00 0.00 N ATOM 217 CA ASN A 17 6.417 -7.295 -0.376 1.00 0.00 C ATOM 218 C ASN A 17 6.873 -5.846 -0.476 1.00 0.00 C ATOM 219 O ASN A 17 6.076 -4.931 -0.545 1.00 0.00 O ATOM 220 CB ASN A 17 5.165 -7.528 -1.216 1.00 0.00 C ATOM 221 CG ASN A 17 5.467 -8.577 -2.287 1.00 0.00 C ATOM 222 OD1 ASN A 17 6.287 -9.450 -2.083 1.00 0.00 O ATOM 223 ND2 ASN A 17 4.839 -8.529 -3.429 1.00 0.00 N ATOM 0 H ASN A 17 5.107 -8.076 1.120 1.00 0.00 H new ATOM 0 HA ASN A 17 7.252 -7.909 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.344 -7.864 -0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.847 -6.596 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.037 -9.224 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.150 -7.797 -3.602 1.00 0.00 H new ATOM 230 N GLU A 18 8.158 -5.633 -0.490 1.00 0.00 N ATOM 231 CA GLU A 18 8.681 -4.247 -0.590 1.00 0.00 C ATOM 232 C GLU A 18 8.677 -3.788 -2.050 1.00 0.00 C ATOM 233 O GLU A 18 9.226 -2.761 -2.389 1.00 0.00 O ATOM 234 CB GLU A 18 10.110 -4.317 -0.050 1.00 0.00 C ATOM 235 CG GLU A 18 10.902 -5.370 -0.828 1.00 0.00 C ATOM 236 CD GLU A 18 12.392 -5.025 -0.778 1.00 0.00 C ATOM 237 OE1 GLU A 18 12.716 -3.863 -0.955 1.00 0.00 O ATOM 238 OE2 GLU A 18 13.182 -5.929 -0.564 1.00 0.00 O ATOM 0 H GLU A 18 8.869 -6.362 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 18 8.074 -3.535 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.592 -3.344 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.097 -4.568 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.732 -6.358 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.561 -5.407 -1.862 1.00 0.00 H new ATOM 245 N GLN A 19 8.063 -4.547 -2.917 1.00 0.00 N ATOM 246 CA GLN A 19 8.029 -4.150 -4.356 1.00 0.00 C ATOM 247 C GLN A 19 7.042 -3.014 -4.567 1.00 0.00 C ATOM 248 O GLN A 19 7.219 -2.150 -5.403 1.00 0.00 O ATOM 249 CB GLN A 19 7.585 -5.401 -5.111 1.00 0.00 C ATOM 250 CG GLN A 19 8.815 -6.169 -5.599 1.00 0.00 C ATOM 251 CD GLN A 19 9.011 -5.917 -7.094 1.00 0.00 C ATOM 252 OE1 GLN A 19 8.177 -5.308 -7.734 1.00 0.00 O ATOM 253 NE2 GLN A 19 10.086 -6.364 -7.682 1.00 0.00 N ATOM 0 H GLN A 19 7.586 -5.420 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 19 8.998 -3.794 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.982 -6.035 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.957 -5.123 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.699 -5.851 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.689 -7.235 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.786 -6.875 -7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.227 -6.202 -8.679 1.00 0.00 H new ATOM 262 N CYS A 20 6.014 -3.024 -3.800 1.00 0.00 N ATOM 263 CA CYS A 20 4.975 -1.969 -3.895 1.00 0.00 C ATOM 264 C CYS A 20 4.978 -1.127 -2.619 1.00 0.00 C ATOM 265 O CYS A 20 4.088 -0.336 -2.379 1.00 0.00 O ATOM 266 CB CYS A 20 3.668 -2.742 -4.028 1.00 0.00 C ATOM 267 SG CYS A 20 3.278 -3.561 -2.460 1.00 0.00 S ATOM 0 H CYS A 20 5.836 -3.733 -3.089 1.00 0.00 H new ATOM 0 HA CYS A 20 5.134 -1.284 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.861 -2.064 -4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.752 -3.482 -4.824 1.00 0.00 H new ATOM 272 N GLN A 21 5.974 -1.302 -1.795 1.00 0.00 N ATOM 273 CA GLN A 21 6.042 -0.528 -0.525 1.00 0.00 C ATOM 274 C GLN A 21 6.672 0.846 -0.761 1.00 0.00 C ATOM 275 O GLN A 21 7.081 1.511 0.170 1.00 0.00 O ATOM 276 CB GLN A 21 6.949 -1.351 0.384 1.00 0.00 C ATOM 277 CG GLN A 21 6.116 -2.384 1.145 1.00 0.00 C ATOM 278 CD GLN A 21 6.297 -2.170 2.648 1.00 0.00 C ATOM 279 OE1 GLN A 21 5.334 -2.024 3.374 1.00 0.00 O ATOM 280 NE2 GLN A 21 7.501 -2.146 3.150 1.00 0.00 N ATOM 0 H GLN A 21 6.746 -1.950 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 21 5.052 -0.362 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.715 -1.852 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.466 -0.697 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.064 -2.289 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.426 -3.392 0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.310 -2.269 2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.633 -2.005 4.151 1.00 0.00 H new ATOM 289 N LYS A 22 6.782 1.280 -1.989 1.00 0.00 N ATOM 290 CA LYS A 22 7.422 2.607 -2.223 1.00 0.00 C ATOM 291 C LYS A 22 6.669 3.443 -3.264 1.00 0.00 C ATOM 292 O LYS A 22 7.158 4.465 -3.703 1.00 0.00 O ATOM 293 CB LYS A 22 8.833 2.285 -2.717 1.00 0.00 C ATOM 294 CG LYS A 22 9.486 1.260 -1.785 1.00 0.00 C ATOM 295 CD LYS A 22 9.672 1.873 -0.394 1.00 0.00 C ATOM 296 CE LYS A 22 11.168 2.028 -0.098 1.00 0.00 C ATOM 297 NZ LYS A 22 11.312 1.766 1.365 1.00 0.00 N ATOM 0 H LYS A 22 6.464 0.786 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 22 7.419 3.205 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.792 1.892 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.433 3.194 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.865 0.366 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.450 0.950 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.178 2.844 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.205 1.239 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.759 1.324 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.518 3.028 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.312 1.855 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.745 2.456 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.979 0.804 1.580 1.00 0.00 H new ATOM 311 N SER A 23 5.490 3.052 -3.658 1.00 0.00 N ATOM 312 CA SER A 23 4.761 3.890 -4.659 1.00 0.00 C ATOM 313 C SER A 23 3.271 3.601 -4.660 1.00 0.00 C ATOM 314 O SER A 23 2.605 3.669 -5.674 1.00 0.00 O ATOM 315 CB SER A 23 5.374 3.551 -6.016 1.00 0.00 C ATOM 316 OG SER A 23 6.618 4.224 -6.155 1.00 0.00 O ATOM 0 H SER A 23 5.006 2.211 -3.342 1.00 0.00 H new ATOM 0 HA SER A 23 4.862 4.949 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.519 2.474 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.697 3.847 -6.817 1.00 0.00 H new ATOM 0 HG SER A 23 6.820 4.711 -5.329 1.00 0.00 H new ATOM 322 N CYS A 24 2.749 3.300 -3.528 1.00 0.00 N ATOM 323 CA CYS A 24 1.319 3.025 -3.402 1.00 0.00 C ATOM 324 C CYS A 24 0.645 4.231 -2.753 1.00 0.00 C ATOM 325 O CYS A 24 1.052 4.699 -1.717 1.00 0.00 O ATOM 326 CB CYS A 24 1.320 1.771 -2.541 1.00 0.00 C ATOM 327 SG CYS A 24 1.272 2.163 -0.781 1.00 0.00 S ATOM 0 H CYS A 24 3.273 3.231 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 24 0.768 2.867 -4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.460 1.153 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.212 1.183 -2.758 1.00 0.00 H new ATOM 332 N SER A 25 -0.359 4.772 -3.373 1.00 0.00 N ATOM 333 CA SER A 25 -1.014 5.981 -2.787 1.00 0.00 C ATOM 334 C SER A 25 -1.938 5.596 -1.639 1.00 0.00 C ATOM 335 O SER A 25 -2.813 6.346 -1.256 1.00 0.00 O ATOM 336 CB SER A 25 -1.804 6.609 -3.934 1.00 0.00 C ATOM 337 OG SER A 25 -2.594 5.610 -4.565 1.00 0.00 O ATOM 0 H SER A 25 -0.756 4.439 -4.251 1.00 0.00 H new ATOM 0 HA SER A 25 -0.283 6.675 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.442 7.408 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.123 7.059 -4.656 1.00 0.00 H new ATOM 0 HG SER A 25 -3.103 6.011 -5.300 1.00 0.00 H new ATOM 343 N CYS A 26 -1.739 4.447 -1.068 1.00 0.00 N ATOM 344 CA CYS A 26 -2.578 4.035 0.062 1.00 0.00 C ATOM 345 C CYS A 26 -2.617 5.136 1.116 1.00 0.00 C ATOM 346 O CYS A 26 -1.620 5.404 1.756 1.00 0.00 O ATOM 347 CB CYS A 26 -1.845 2.825 0.606 1.00 0.00 C ATOM 348 SG CYS A 26 -2.462 1.332 -0.206 1.00 0.00 S ATOM 0 H CYS A 26 -1.023 3.776 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.611 3.830 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.773 2.928 0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.991 2.752 1.684 1.00 0.00 H new ATOM 353 N PRO A 27 -3.766 5.722 1.297 1.00 0.00 N ATOM 354 CA PRO A 27 -3.899 6.770 2.326 1.00 0.00 C ATOM 355 C PRO A 27 -3.691 6.106 3.665 1.00 0.00 C ATOM 356 O PRO A 27 -4.607 5.547 4.211 1.00 0.00 O ATOM 357 CB PRO A 27 -5.323 7.288 2.140 1.00 0.00 C ATOM 358 CG PRO A 27 -6.046 6.161 1.475 1.00 0.00 C ATOM 359 CD PRO A 27 -5.030 5.471 0.599 1.00 0.00 C ATOM 0 HA PRO A 27 -3.186 7.591 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.780 7.544 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.341 8.189 1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.456 5.472 2.213 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.884 6.530 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.235 4.404 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.022 5.882 -0.410 1.00 0.00 H new ATOM 367 N THR A 28 -2.457 6.132 4.128 1.00 0.00 N ATOM 368 CA THR A 28 -2.035 5.447 5.390 1.00 0.00 C ATOM 369 C THR A 28 -3.181 5.281 6.358 1.00 0.00 C ATOM 370 O THR A 28 -3.288 5.872 7.415 1.00 0.00 O ATOM 371 CB THR A 28 -0.909 6.304 5.949 1.00 0.00 C ATOM 372 OG1 THR A 28 -1.377 7.630 6.154 1.00 0.00 O ATOM 373 CG2 THR A 28 0.238 6.305 4.936 1.00 0.00 C ATOM 0 H THR A 28 -1.697 6.623 3.657 1.00 0.00 H new ATOM 0 HA THR A 28 -1.698 4.427 5.205 1.00 0.00 H new ATOM 0 HB THR A 28 -0.564 5.905 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.132 7.618 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.058 6.914 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.586 5.284 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.112 6.718 3.990 1.00 0.00 H new ATOM 381 N GLY A 29 -4.005 4.416 5.923 1.00 0.00 N ATOM 382 CA GLY A 29 -5.228 3.985 6.622 1.00 0.00 C ATOM 383 C GLY A 29 -5.681 2.651 5.995 1.00 0.00 C ATOM 384 O GLY A 29 -6.518 1.962 6.542 1.00 0.00 O ATOM 0 H GLY A 29 -3.874 3.943 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.036 3.861 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.010 4.738 6.525 1.00 0.00 H new ATOM 388 N CYS A 30 -5.148 2.282 4.831 1.00 0.00 N ATOM 389 CA CYS A 30 -5.577 1.010 4.188 1.00 0.00 C ATOM 390 C CYS A 30 -5.577 -0.137 5.200 1.00 0.00 C ATOM 391 O CYS A 30 -4.582 -0.426 5.831 1.00 0.00 O ATOM 392 CB CYS A 30 -4.539 0.764 3.094 1.00 0.00 C ATOM 393 SG CYS A 30 -5.183 -0.449 1.914 1.00 0.00 S ATOM 0 H CYS A 30 -4.444 2.813 4.318 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.591 1.069 3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.306 1.698 2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.610 0.402 3.534 1.00 0.00 H new ATOM 398 N ASN A 31 -6.694 -0.789 5.348 1.00 0.00 N ATOM 399 CA ASN A 31 -6.779 -1.925 6.312 1.00 0.00 C ATOM 400 C ASN A 31 -7.756 -2.988 5.794 1.00 0.00 C ATOM 401 O ASN A 31 -8.197 -3.849 6.529 1.00 0.00 O ATOM 402 CB ASN A 31 -7.298 -1.304 7.610 1.00 0.00 C ATOM 403 CG ASN A 31 -6.332 -1.631 8.752 1.00 0.00 C ATOM 404 OD1 ASN A 31 -6.178 -2.777 9.124 1.00 0.00 O ATOM 405 ND2 ASN A 31 -5.666 -0.666 9.323 1.00 0.00 N ATOM 0 H ASN A 31 -7.556 -0.585 4.842 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.818 -2.420 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.393 -0.224 7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.292 -1.689 7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.016 -0.874 10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.795 0.297 9.011 1.00 0.00 H new ATOM 412 N SER A 32 -8.096 -2.934 4.534 1.00 0.00 N ATOM 413 CA SER A 32 -9.042 -3.941 3.967 1.00 0.00 C ATOM 414 C SER A 32 -8.412 -4.642 2.760 1.00 0.00 C ATOM 415 O SER A 32 -7.353 -4.268 2.296 1.00 0.00 O ATOM 416 CB SER A 32 -10.267 -3.134 3.541 1.00 0.00 C ATOM 417 OG SER A 32 -10.864 -3.749 2.407 1.00 0.00 O ATOM 0 H SER A 32 -7.759 -2.235 3.871 1.00 0.00 H new ATOM 0 HA SER A 32 -9.296 -4.720 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.984 -3.081 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.978 -2.110 3.304 1.00 0.00 H new ATOM 0 HG SER A 32 -11.651 -3.234 2.132 1.00 0.00 H new ATOM 423 N ASP A 33 -9.051 -5.661 2.252 1.00 0.00 N ATOM 424 CA ASP A 33 -8.485 -6.390 1.079 1.00 0.00 C ATOM 425 C ASP A 33 -9.039 -5.816 -0.229 1.00 0.00 C ATOM 426 O ASP A 33 -8.335 -5.704 -1.212 1.00 0.00 O ATOM 427 CB ASP A 33 -8.930 -7.841 1.260 1.00 0.00 C ATOM 428 CG ASP A 33 -7.779 -8.778 0.892 1.00 0.00 C ATOM 429 OD1 ASP A 33 -6.740 -8.279 0.491 1.00 0.00 O ATOM 430 OD2 ASP A 33 -7.954 -9.980 1.016 1.00 0.00 O ATOM 0 H ASP A 33 -9.941 -6.021 2.598 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.400 -6.299 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.237 -8.012 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.796 -8.048 0.632 1.00 0.00 H new ATOM 435 N ASP A 34 -10.289 -5.436 -0.246 1.00 0.00 N ATOM 436 CA ASP A 34 -10.871 -4.854 -1.488 1.00 0.00 C ATOM 437 C ASP A 34 -10.716 -3.348 -1.470 1.00 0.00 C ATOM 438 O ASP A 34 -11.460 -2.606 -2.080 1.00 0.00 O ATOM 439 CB ASP A 34 -12.341 -5.277 -1.515 1.00 0.00 C ATOM 440 CG ASP A 34 -12.698 -5.794 -2.911 1.00 0.00 C ATOM 441 OD1 ASP A 34 -12.858 -4.975 -3.801 1.00 0.00 O ATOM 442 OD2 ASP A 34 -12.804 -6.999 -3.064 1.00 0.00 O ATOM 0 H ASP A 34 -10.930 -5.504 0.545 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.364 -5.209 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.521 -6.053 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.978 -4.432 -1.254 1.00 0.00 H new ATOM 447 N LYS A 35 -9.708 -2.921 -0.805 1.00 0.00 N ATOM 448 CA LYS A 35 -9.383 -1.484 -0.736 1.00 0.00 C ATOM 449 C LYS A 35 -7.888 -1.379 -0.927 1.00 0.00 C ATOM 450 O LYS A 35 -7.220 -0.497 -0.426 1.00 0.00 O ATOM 451 CB LYS A 35 -9.816 -1.014 0.652 1.00 0.00 C ATOM 452 CG LYS A 35 -10.176 0.472 0.599 1.00 0.00 C ATOM 453 CD LYS A 35 -11.673 0.647 0.866 1.00 0.00 C ATOM 454 CE LYS A 35 -12.051 2.123 0.713 1.00 0.00 C ATOM 455 NZ LYS A 35 -13.513 2.121 0.421 1.00 0.00 N ATOM 0 H LYS A 35 -9.070 -3.524 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.880 -0.872 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.673 -1.595 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.013 -1.179 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.597 1.023 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.920 0.884 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.251 0.039 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.917 0.301 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.831 2.683 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.488 2.592 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.845 3.100 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.692 1.587 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.024 1.675 1.209 1.00 0.00 H new ATOM 469 N CYS A 36 -7.381 -2.309 -1.675 1.00 0.00 N ATOM 470 CA CYS A 36 -5.939 -2.358 -1.967 1.00 0.00 C ATOM 471 C CYS A 36 -5.746 -2.605 -3.435 1.00 0.00 C ATOM 472 O CYS A 36 -5.385 -3.690 -3.848 1.00 0.00 O ATOM 473 CB CYS A 36 -5.401 -3.539 -1.209 1.00 0.00 C ATOM 474 SG CYS A 36 -3.656 -3.260 -0.803 1.00 0.00 S ATOM 0 H CYS A 36 -7.926 -3.056 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.440 -1.430 -1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.977 -3.691 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.505 -4.445 -1.806 1.00 0.00 H new ATOM 479 N PRO A 37 -5.957 -1.583 -4.171 1.00 0.00 N ATOM 480 CA PRO A 37 -5.765 -1.641 -5.607 1.00 0.00 C ATOM 481 C PRO A 37 -4.306 -1.302 -5.877 1.00 0.00 C ATOM 482 O PRO A 37 -3.964 -0.512 -6.736 1.00 0.00 O ATOM 483 CB PRO A 37 -6.774 -0.615 -6.123 1.00 0.00 C ATOM 484 CG PRO A 37 -7.064 0.297 -4.958 1.00 0.00 C ATOM 485 CD PRO A 37 -6.390 -0.264 -3.740 1.00 0.00 C ATOM 0 HA PRO A 37 -5.936 -2.600 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.367 -0.056 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.683 -1.103 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.699 1.303 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.139 0.375 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.548 0.353 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.074 -0.323 -2.893 1.00 0.00 H new ATOM 493 N CYS A 38 -3.443 -1.922 -5.097 1.00 0.00 N ATOM 494 CA CYS A 38 -1.966 -1.699 -5.212 1.00 0.00 C ATOM 495 C CYS A 38 -1.361 -2.497 -6.341 1.00 0.00 C ATOM 496 O CYS A 38 -0.162 -2.642 -6.475 1.00 0.00 O ATOM 497 CB CYS A 38 -1.478 -2.229 -3.897 1.00 0.00 C ATOM 498 SG CYS A 38 -0.026 -1.322 -3.327 1.00 0.00 S ATOM 0 H CYS A 38 -3.711 -2.587 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.705 -0.661 -5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.272 -2.154 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.234 -3.287 -3.996 1.00 0.00 H new ATOM 503 N GLY A 39 -2.201 -2.998 -7.130 1.00 0.00 N ATOM 504 CA GLY A 39 -1.777 -3.814 -8.303 1.00 0.00 C ATOM 505 C GLY A 39 -1.418 -2.896 -9.476 1.00 0.00 C ATOM 506 O GLY A 39 -1.623 -3.236 -10.625 1.00 0.00 O ATOM 0 H GLY A 39 -3.211 -2.889 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.918 -4.430 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.579 -4.493 -8.594 1.00 0.00 H new ATOM 510 N ASN A 40 -0.878 -1.738 -9.201 1.00 0.00 N ATOM 511 CA ASN A 40 -0.504 -0.809 -10.303 1.00 0.00 C ATOM 512 C ASN A 40 0.900 -1.144 -10.815 1.00 0.00 C ATOM 513 O ASN A 40 1.191 -2.321 -10.960 1.00 0.00 O ATOM 514 CB ASN A 40 -0.525 0.584 -9.673 1.00 0.00 C ATOM 515 CG ASN A 40 0.607 0.697 -8.649 1.00 0.00 C ATOM 516 OD1 ASN A 40 1.720 1.042 -8.992 1.00 0.00 O ATOM 517 ND2 ASN A 40 0.370 0.417 -7.396 1.00 0.00 N ATOM 518 OXT ASN A 40 1.660 -0.219 -11.050 1.00 0.00 O ATOM 0 H ASN A 40 -0.680 -1.397 -8.260 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.182 -0.880 -11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.410 1.346 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.486 0.762 -9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.119 0.488 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.564 0.127 -7.106 1.00 0.00 H new TER 525 ASN A 40 HETATM 526 AG AG A 41 0.733 0.489 0.952 1.00 0.00 AG HETATM 527 AG AG A 42 -1.520 -3.548 0.838 1.00 0.00 AG HETATM 528 AG AG A 43 3.023 -1.845 -0.650 1.00 0.00 AG HETATM 529 AG AG A 44 -0.587 0.337 -1.523 1.00 0.00 AG HETATM 530 AG AG A 45 -4.121 -2.672 2.337 1.00 0.00 AG HETATM 531 AG AG A 46 -3.429 -0.936 0.081 1.00 0.00 AG HETATM 532 AG AG A 47 1.092 -2.688 -1.559 1.00 0.00 AG