USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 493 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN :FLIP amide:sc= -2.01 F(o=-11,f=-9.2) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -7.41! C(o=-9.2!,f=-11!) USER MOD Set 1.3: A 63 LYS NZ :NH3+ 160:sc= 0.183 (180deg=0) 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0.02) USER MOD Single : A 10 GLN : amide:sc=-0.000457 X(o=-0.00046,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.295 (180deg=-0.729) USER MOD Single : A 24 ASN : amide:sc= -0.202 K(o=-0.2,f=-2!) USER MOD Single : A 25 ASN : amide:sc= -5.68! C(o=-5.7!,f=-7!) USER MOD Single : A 26 SER OG : rot 37:sc= -0.0501 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.452) USER MOD Single : A 53 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-7.4!) USER MOD Single : A 60 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.57) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 100:sc= 0.00783 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.385 -5.639 3.961 1.00 0.00 N ATOM 2 CA GLY A 1 -29.130 -5.207 2.599 1.00 0.00 C ATOM 3 C GLY A 1 -28.863 -6.368 1.662 1.00 0.00 C ATOM 4 O GLY A 1 -29.645 -7.317 1.600 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.562 -4.808 4.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.218 -6.261 3.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.558 -6.157 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.987 -4.640 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.274 -4.532 2.590 1.00 0.00 H new ATOM 8 N SER A 2 -27.756 -6.294 0.931 1.00 0.00 N ATOM 9 CA SER A 2 -27.390 -7.345 -0.011 1.00 0.00 C ATOM 10 C SER A 2 -25.881 -7.374 -0.234 1.00 0.00 C ATOM 11 O SER A 2 -25.214 -6.341 -0.182 1.00 0.00 O ATOM 12 CB SER A 2 -28.109 -7.137 -1.345 1.00 0.00 C ATOM 13 OG SER A 2 -28.209 -8.352 -2.066 1.00 0.00 O ATOM 0 H SER A 2 -27.097 -5.517 0.973 1.00 0.00 H new ATOM 0 HA SER A 2 -27.696 -8.301 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.106 -6.734 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.570 -6.400 -1.941 1.00 0.00 H new ATOM 0 HG SER A 2 -28.674 -8.192 -2.914 1.00 0.00 H new ATOM 19 N SER A 3 -25.349 -8.567 -0.482 1.00 0.00 N ATOM 20 CA SER A 3 -23.918 -8.733 -0.708 1.00 0.00 C ATOM 21 C SER A 3 -23.574 -8.534 -2.182 1.00 0.00 C ATOM 22 O SER A 3 -23.917 -9.359 -3.027 1.00 0.00 O ATOM 23 CB SER A 3 -23.465 -10.121 -0.250 1.00 0.00 C ATOM 24 OG SER A 3 -22.053 -10.235 -0.288 1.00 0.00 O ATOM 0 H SER A 3 -25.887 -9.432 -0.531 1.00 0.00 H new ATOM 0 HA SER A 3 -23.393 -7.977 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.821 -10.307 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.912 -10.882 -0.890 1.00 0.00 H new ATOM 0 HG SER A 3 -21.789 -11.130 0.011 1.00 0.00 H new ATOM 30 N GLY A 4 -22.894 -7.432 -2.481 1.00 0.00 N ATOM 31 CA GLY A 4 -22.515 -7.143 -3.852 1.00 0.00 C ATOM 32 C GLY A 4 -22.331 -5.659 -4.102 1.00 0.00 C ATOM 33 O GLY A 4 -22.811 -5.128 -5.104 1.00 0.00 O ATOM 0 H GLY A 4 -22.599 -6.734 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.588 -7.666 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.279 -7.530 -4.526 1.00 0.00 H new ATOM 37 N SER A 5 -21.636 -4.988 -3.189 1.00 0.00 N ATOM 38 CA SER A 5 -21.395 -3.556 -3.313 1.00 0.00 C ATOM 39 C SER A 5 -19.899 -3.258 -3.355 1.00 0.00 C ATOM 40 O SER A 5 -19.080 -4.081 -2.948 1.00 0.00 O ATOM 41 CB SER A 5 -22.044 -2.805 -2.148 1.00 0.00 C ATOM 42 OG SER A 5 -21.583 -3.300 -0.903 1.00 0.00 O ATOM 0 H SER A 5 -21.230 -5.413 -2.356 1.00 0.00 H new ATOM 0 HA SER A 5 -21.841 -3.217 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.819 -1.741 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.128 -2.906 -2.204 1.00 0.00 H new ATOM 0 HG SER A 5 -22.011 -2.803 -0.175 1.00 0.00 H new ATOM 48 N SER A 6 -19.551 -2.075 -3.850 1.00 0.00 N ATOM 49 CA SER A 6 -18.155 -1.668 -3.949 1.00 0.00 C ATOM 50 C SER A 6 -17.804 -0.657 -2.862 1.00 0.00 C ATOM 51 O SER A 6 -18.119 0.527 -2.975 1.00 0.00 O ATOM 52 CB SER A 6 -17.872 -1.069 -5.328 1.00 0.00 C ATOM 53 OG SER A 6 -17.986 -2.051 -6.344 1.00 0.00 O ATOM 0 H SER A 6 -20.217 -1.381 -4.189 1.00 0.00 H new ATOM 0 HA SER A 6 -17.535 -2.554 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.570 -0.255 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.870 -0.640 -5.343 1.00 0.00 H new ATOM 0 HG SER A 6 -17.802 -1.643 -7.216 1.00 0.00 H new ATOM 59 N GLY A 7 -17.151 -1.134 -1.807 1.00 0.00 N ATOM 60 CA GLY A 7 -16.769 -0.260 -0.713 1.00 0.00 C ATOM 61 C GLY A 7 -15.310 -0.413 -0.331 1.00 0.00 C ATOM 62 O GLY A 7 -14.767 -1.518 -0.354 1.00 0.00 O ATOM 0 H GLY A 7 -16.880 -2.110 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.961 0.775 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.393 -0.475 0.155 1.00 0.00 H new ATOM 66 N CYS A 8 -14.672 0.698 0.020 1.00 0.00 N ATOM 67 CA CYS A 8 -13.266 0.684 0.407 1.00 0.00 C ATOM 68 C CYS A 8 -13.016 -0.338 1.512 1.00 0.00 C ATOM 69 O CYS A 8 -13.865 -0.550 2.380 1.00 0.00 O ATOM 70 CB CYS A 8 -12.830 2.074 0.874 1.00 0.00 C ATOM 71 SG CYS A 8 -11.211 2.104 1.708 1.00 0.00 S ATOM 0 H CYS A 8 -15.107 1.620 0.045 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.678 0.400 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.795 2.741 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.584 2.470 1.554 1.00 0.00 H new ATOM 76 N HIS A 9 -11.847 -0.968 1.475 1.00 0.00 N ATOM 77 CA HIS A 9 -11.484 -1.967 2.474 1.00 0.00 C ATOM 78 C HIS A 9 -10.668 -1.339 3.599 1.00 0.00 C ATOM 79 O HIS A 9 -10.833 -1.688 4.768 1.00 0.00 O ATOM 80 CB HIS A 9 -10.692 -3.103 1.826 1.00 0.00 C ATOM 81 CG HIS A 9 -10.423 -4.249 2.751 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.403 -4.845 3.517 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.276 -4.911 3.031 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.871 -5.822 4.228 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.581 -5.884 3.951 1.00 0.00 N ATOM 0 H HIS A 9 -11.134 -0.805 0.764 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.403 -2.371 2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.241 -3.468 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.743 -2.711 1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.302 -4.711 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.400 -6.462 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.919 -6.547 4.355 1.00 0.00 H new ATOM 94 N GLN A 10 -9.786 -0.412 3.238 1.00 0.00 N ATOM 95 CA GLN A 10 -8.944 0.263 4.218 1.00 0.00 C ATOM 96 C GLN A 10 -9.772 0.759 5.399 1.00 0.00 C ATOM 97 O GLN A 10 -9.650 0.249 6.514 1.00 0.00 O ATOM 98 CB GLN A 10 -8.208 1.437 3.568 1.00 0.00 C ATOM 99 CG GLN A 10 -7.345 2.227 4.538 1.00 0.00 C ATOM 100 CD GLN A 10 -5.972 1.613 4.729 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.204 1.473 3.777 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.655 1.245 5.965 1.00 0.00 N ATOM 0 H GLN A 10 -9.636 -0.112 2.275 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.213 -0.456 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.580 1.059 2.761 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.939 2.108 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.235 3.248 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.850 2.287 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.323 1.380 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.744 0.828 6.155 1.00 0.00 H new ATOM 111 N CYS A 11 -10.614 1.756 5.148 1.00 0.00 N ATOM 112 CA CYS A 11 -11.462 2.321 6.190 1.00 0.00 C ATOM 113 C CYS A 11 -12.803 1.596 6.253 1.00 0.00 C ATOM 114 O CYS A 11 -13.294 1.269 7.333 1.00 0.00 O ATOM 115 CB CYS A 11 -11.688 3.813 5.939 1.00 0.00 C ATOM 116 SG CYS A 11 -12.561 4.182 4.383 1.00 0.00 S ATOM 0 H CYS A 11 -10.727 2.189 4.231 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.954 2.193 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.258 4.228 6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.723 4.319 5.930 1.00 0.00 H new ATOM 121 N GLY A 12 -13.391 1.347 5.087 1.00 0.00 N ATOM 122 CA GLY A 12 -14.669 0.662 5.031 1.00 0.00 C ATOM 123 C GLY A 12 -15.742 1.492 4.355 1.00 0.00 C ATOM 124 O GLY A 12 -16.570 0.963 3.614 1.00 0.00 O ATOM 0 H GLY A 12 -13.005 1.608 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.550 -0.279 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.989 0.414 6.043 1.00 0.00 H new ATOM 128 N GLU A 13 -15.729 2.797 4.611 1.00 0.00 N ATOM 129 CA GLU A 13 -16.710 3.700 4.022 1.00 0.00 C ATOM 130 C GLU A 13 -16.914 3.393 2.542 1.00 0.00 C ATOM 131 O GLU A 13 -16.003 2.917 1.864 1.00 0.00 O ATOM 132 CB GLU A 13 -16.267 5.154 4.196 1.00 0.00 C ATOM 133 CG GLU A 13 -16.031 5.549 5.644 1.00 0.00 C ATOM 134 CD GLU A 13 -17.321 5.693 6.428 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.090 6.632 6.135 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.561 4.867 7.333 1.00 0.00 O ATOM 0 H GLU A 13 -15.050 3.251 5.222 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.658 3.552 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.350 5.316 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.025 5.810 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.401 4.799 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.484 6.492 5.675 1.00 0.00 H new ATOM 143 N PHE A 14 -18.116 3.667 2.046 1.00 0.00 N ATOM 144 CA PHE A 14 -18.442 3.418 0.647 1.00 0.00 C ATOM 145 C PHE A 14 -17.773 4.449 -0.258 1.00 0.00 C ATOM 146 O PHE A 14 -17.727 5.637 0.064 1.00 0.00 O ATOM 147 CB PHE A 14 -19.957 3.449 0.440 1.00 0.00 C ATOM 148 CG PHE A 14 -20.392 2.905 -0.891 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.277 1.553 -1.173 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.916 3.745 -1.860 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.675 1.051 -2.397 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.316 3.248 -3.086 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.197 1.899 -3.354 1.00 0.00 C ATOM 0 H PHE A 14 -18.881 4.062 2.593 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.067 2.429 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.436 2.874 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.308 4.477 0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.872 0.885 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.013 4.801 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.578 -0.004 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.721 3.914 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.511 1.508 -4.310 1.00 0.00 H new ATOM 163 N ILE A 15 -17.256 3.986 -1.391 1.00 0.00 N ATOM 164 CA ILE A 15 -16.590 4.867 -2.343 1.00 0.00 C ATOM 165 C ILE A 15 -17.585 5.449 -3.341 1.00 0.00 C ATOM 166 O ILE A 15 -18.346 4.717 -3.973 1.00 0.00 O ATOM 167 CB ILE A 15 -15.480 4.128 -3.113 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.615 3.314 -2.148 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.626 5.118 -3.891 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.948 2.121 -2.796 1.00 0.00 C ATOM 0 H ILE A 15 -17.285 3.006 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.143 5.676 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.944 3.443 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.849 3.963 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.234 2.969 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.846 4.581 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.252 5.658 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.168 5.825 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.351 1.590 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.709 1.451 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.302 2.461 -3.606 1.00 0.00 H new ATOM 182 N ILE A 16 -17.571 6.771 -3.479 1.00 0.00 N ATOM 183 CA ILE A 16 -18.470 7.451 -4.403 1.00 0.00 C ATOM 184 C ILE A 16 -17.699 8.379 -5.336 1.00 0.00 C ATOM 185 O ILE A 16 -17.194 9.419 -4.916 1.00 0.00 O ATOM 186 CB ILE A 16 -19.537 8.268 -3.651 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.181 7.419 -2.553 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.593 8.779 -4.620 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.118 8.199 -1.658 1.00 0.00 C ATOM 0 H ILE A 16 -16.947 7.392 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.964 6.677 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.054 9.126 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.731 6.599 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.396 6.973 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.340 9.355 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.122 9.415 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -21.075 7.934 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.538 7.534 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.568 9.003 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.924 8.623 -2.257 1.00 0.00 H new ATOM 201 N GLY A 17 -17.616 7.996 -6.607 1.00 0.00 N ATOM 202 CA GLY A 17 -16.907 8.806 -7.581 1.00 0.00 C ATOM 203 C GLY A 17 -15.708 8.089 -8.169 1.00 0.00 C ATOM 204 O GLY A 17 -15.747 7.637 -9.313 1.00 0.00 O ATOM 0 H GLY A 17 -18.027 7.140 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.590 9.084 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.577 9.731 -7.108 1.00 0.00 H new ATOM 208 N ARG A 18 -14.640 7.985 -7.385 1.00 0.00 N ATOM 209 CA ARG A 18 -13.423 7.320 -7.836 1.00 0.00 C ATOM 210 C ARG A 18 -13.127 6.090 -6.983 1.00 0.00 C ATOM 211 O ARG A 18 -12.941 6.194 -5.770 1.00 0.00 O ATOM 212 CB ARG A 18 -12.239 8.287 -7.784 1.00 0.00 C ATOM 213 CG ARG A 18 -10.886 7.598 -7.851 1.00 0.00 C ATOM 214 CD ARG A 18 -9.837 8.490 -8.496 1.00 0.00 C ATOM 215 NE ARG A 18 -8.802 7.716 -9.174 1.00 0.00 N ATOM 216 CZ ARG A 18 -8.061 8.192 -10.169 1.00 0.00 C ATOM 217 NH1 ARG A 18 -8.240 9.433 -10.598 1.00 0.00 N ATOM 218 NH2 ARG A 18 -7.138 7.425 -10.736 1.00 0.00 N ATOM 0 H ARG A 18 -14.593 8.353 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.575 6.998 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.320 8.992 -8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.296 8.868 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.565 7.326 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.976 6.672 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.318 9.156 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.378 9.119 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.638 6.757 -8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.948 10.025 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.670 9.796 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.997 6.470 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.570 7.791 -11.500 1.00 0.00 H new ATOM 232 N VAL A 19 -13.086 4.927 -7.624 1.00 0.00 N ATOM 233 CA VAL A 19 -12.813 3.677 -6.925 1.00 0.00 C ATOM 234 C VAL A 19 -11.489 3.072 -7.378 1.00 0.00 C ATOM 235 O VAL A 19 -11.303 2.773 -8.558 1.00 0.00 O ATOM 236 CB VAL A 19 -13.938 2.650 -7.150 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.435 1.240 -6.881 1.00 0.00 C ATOM 238 CG2 VAL A 19 -15.138 2.973 -6.272 1.00 0.00 C ATOM 0 H VAL A 19 -13.238 4.824 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.756 3.915 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.254 2.705 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.244 0.528 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.609 1.013 -7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.091 1.167 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.923 2.237 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.840 2.947 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.512 3.967 -6.518 1.00 0.00 H new ATOM 248 N ILE A 20 -10.572 2.894 -6.433 1.00 0.00 N ATOM 249 CA ILE A 20 -9.265 2.323 -6.735 1.00 0.00 C ATOM 250 C ILE A 20 -9.274 0.808 -6.560 1.00 0.00 C ATOM 251 O ILE A 20 -9.146 0.300 -5.446 1.00 0.00 O ATOM 252 CB ILE A 20 -8.167 2.926 -5.840 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.299 4.449 -5.788 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.790 2.526 -6.349 1.00 0.00 C ATOM 255 CD1 ILE A 20 -8.014 5.126 -7.110 1.00 0.00 C ATOM 0 H ILE A 20 -10.710 3.137 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.047 2.565 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.288 2.535 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.308 4.707 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.615 4.839 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.024 2.960 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.700 1.440 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.658 2.891 -7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.127 6.204 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.995 4.898 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.715 4.764 -7.863 1.00 0.00 H new ATOM 267 N LYS A 21 -9.423 0.091 -7.668 1.00 0.00 N ATOM 268 CA LYS A 21 -9.445 -1.367 -7.640 1.00 0.00 C ATOM 269 C LYS A 21 -8.036 -1.929 -7.483 1.00 0.00 C ATOM 270 O LYS A 21 -7.189 -1.760 -8.359 1.00 0.00 O ATOM 271 CB LYS A 21 -10.084 -1.913 -8.919 1.00 0.00 C ATOM 272 CG LYS A 21 -11.596 -1.769 -8.953 1.00 0.00 C ATOM 273 CD LYS A 21 -12.286 -3.001 -8.392 1.00 0.00 C ATOM 274 CE LYS A 21 -13.671 -2.670 -7.858 1.00 0.00 C ATOM 275 NZ LYS A 21 -14.418 -3.894 -7.456 1.00 0.00 N ATOM 0 H LYS A 21 -9.530 0.496 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.040 -1.680 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.659 -1.394 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.825 -2.967 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.892 -0.892 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.924 -1.603 -9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.367 -3.760 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.679 -3.427 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.580 -2.002 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.236 -2.134 -8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.357 -3.626 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.528 -4.520 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.892 -4.392 -6.710 1.00 0.00 H new ATOM 289 N ALA A 22 -7.793 -2.600 -6.361 1.00 0.00 N ATOM 290 CA ALA A 22 -6.488 -3.190 -6.092 1.00 0.00 C ATOM 291 C ALA A 22 -6.613 -4.405 -5.179 1.00 0.00 C ATOM 292 O ALA A 22 -7.569 -4.521 -4.412 1.00 0.00 O ATOM 293 CB ALA A 22 -5.559 -2.156 -5.474 1.00 0.00 C ATOM 0 H ALA A 22 -8.483 -2.748 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.064 -3.522 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.588 -2.610 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.436 -1.320 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.986 -1.796 -4.538 1.00 0.00 H new ATOM 299 N MET A 23 -5.642 -5.308 -5.267 1.00 0.00 N ATOM 300 CA MET A 23 -5.644 -6.514 -4.447 1.00 0.00 C ATOM 301 C MET A 23 -6.996 -7.216 -4.516 1.00 0.00 C ATOM 302 O MET A 23 -7.409 -7.883 -3.568 1.00 0.00 O ATOM 303 CB MET A 23 -5.308 -6.170 -2.994 1.00 0.00 C ATOM 304 CG MET A 23 -3.995 -5.421 -2.835 1.00 0.00 C ATOM 305 SD MET A 23 -2.557 -6.476 -3.105 1.00 0.00 S ATOM 306 CE MET A 23 -1.802 -6.440 -1.481 1.00 0.00 C ATOM 0 H MET A 23 -4.844 -5.228 -5.897 1.00 0.00 H new ATOM 0 HA MET A 23 -4.883 -7.190 -4.838 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.114 -5.567 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.265 -7.091 -2.412 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.968 -4.589 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.944 -4.993 -1.834 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.201 -7.338 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.165 -5.560 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.580 -6.400 -0.719 1.00 0.00 H new ATOM 316 N ASN A 24 -7.682 -7.060 -5.644 1.00 0.00 N ATOM 317 CA ASN A 24 -8.989 -7.679 -5.836 1.00 0.00 C ATOM 318 C ASN A 24 -10.018 -7.085 -4.879 1.00 0.00 C ATOM 319 O ASN A 24 -10.942 -7.769 -4.443 1.00 0.00 O ATOM 320 CB ASN A 24 -8.895 -9.192 -5.627 1.00 0.00 C ATOM 321 CG ASN A 24 -8.623 -9.938 -6.918 1.00 0.00 C ATOM 322 OD1 ASN A 24 -8.957 -9.464 -8.004 1.00 0.00 O ATOM 323 ND2 ASN A 24 -8.015 -11.113 -6.806 1.00 0.00 N ATOM 0 H ASN A 24 -7.355 -6.511 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.312 -7.479 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.102 -9.409 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.826 -9.554 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.807 -11.661 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.756 -11.467 -5.885 1.00 0.00 H new ATOM 330 N ASN A 25 -9.849 -5.806 -4.557 1.00 0.00 N ATOM 331 CA ASN A 25 -10.763 -5.119 -3.652 1.00 0.00 C ATOM 332 C ASN A 25 -10.814 -3.626 -3.961 1.00 0.00 C ATOM 333 O ASN A 25 -9.893 -3.074 -4.562 1.00 0.00 O ATOM 334 CB ASN A 25 -10.335 -5.337 -2.199 1.00 0.00 C ATOM 335 CG ASN A 25 -9.688 -6.691 -1.984 1.00 0.00 C ATOM 336 OD1 ASN A 25 -8.481 -6.787 -1.763 1.00 0.00 O ATOM 337 ND2 ASN A 25 -10.491 -7.747 -2.048 1.00 0.00 N ATOM 0 H ASN A 25 -9.088 -5.225 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.760 -5.536 -3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.636 -4.553 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.205 -5.246 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.113 -8.684 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.486 -7.621 -2.234 1.00 0.00 H new ATOM 344 N SER A 26 -11.897 -2.977 -3.543 1.00 0.00 N ATOM 345 CA SER A 26 -12.070 -1.548 -3.778 1.00 0.00 C ATOM 346 C SER A 26 -11.450 -0.734 -2.647 1.00 0.00 C ATOM 347 O SER A 26 -11.462 -1.149 -1.488 1.00 0.00 O ATOM 348 CB SER A 26 -13.556 -1.208 -3.911 1.00 0.00 C ATOM 349 OG SER A 26 -14.288 -1.675 -2.791 1.00 0.00 O ATOM 0 H SER A 26 -12.667 -3.418 -3.040 1.00 0.00 H new ATOM 0 HA SER A 26 -11.562 -1.293 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.678 -0.129 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.954 -1.655 -4.822 1.00 0.00 H new ATOM 0 HG SER A 26 -13.748 -1.570 -1.980 1.00 0.00 H new ATOM 355 N TRP A 27 -10.908 0.429 -2.993 1.00 0.00 N ATOM 356 CA TRP A 27 -10.282 1.303 -2.007 1.00 0.00 C ATOM 357 C TRP A 27 -10.388 2.764 -2.430 1.00 0.00 C ATOM 358 O TRP A 27 -10.745 3.066 -3.569 1.00 0.00 O ATOM 359 CB TRP A 27 -8.813 0.921 -1.816 1.00 0.00 C ATOM 360 CG TRP A 27 -8.577 -0.559 -1.837 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.842 -1.416 -2.867 1.00 0.00 C ATOM 362 CD2 TRP A 27 -8.030 -1.356 -0.781 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.493 -2.698 -2.514 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.992 -2.687 -1.240 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.567 -1.074 0.507 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.510 -3.731 -0.454 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.090 -2.111 1.286 1.00 0.00 C ATOM 368 CH2 TRP A 27 -7.063 -3.426 0.803 1.00 0.00 C ATOM 0 H TRP A 27 -10.889 0.788 -3.948 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.809 1.178 -1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.218 1.388 -2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.460 1.325 -0.867 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.264 -1.129 -3.819 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.591 -3.523 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.582 -0.063 0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.490 -4.746 -0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.732 -1.904 2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.682 -4.214 1.435 1.00 0.00 H new ATOM 379 N HIS A 28 -10.076 3.667 -1.507 1.00 0.00 N ATOM 380 CA HIS A 28 -10.136 5.098 -1.785 1.00 0.00 C ATOM 381 C HIS A 28 -8.816 5.594 -2.365 1.00 0.00 C ATOM 382 O HIS A 28 -7.761 4.985 -2.183 1.00 0.00 O ATOM 383 CB HIS A 28 -10.471 5.874 -0.511 1.00 0.00 C ATOM 384 CG HIS A 28 -11.918 5.808 -0.132 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.356 5.337 1.088 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.030 6.159 -0.820 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.675 5.400 1.133 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.109 5.896 -0.012 1.00 0.00 N ATOM 0 H HIS A 28 -9.779 3.434 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.922 5.267 -2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.871 5.484 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.187 6.918 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.062 6.569 -1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.294 5.097 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.086 6.057 -0.256 1.00 0.00 H new ATOM 396 N PRO A 29 -8.872 6.727 -3.082 1.00 0.00 N ATOM 397 CA PRO A 29 -7.689 7.330 -3.704 1.00 0.00 C ATOM 398 C PRO A 29 -6.727 7.913 -2.675 1.00 0.00 C ATOM 399 O PRO A 29 -5.663 8.422 -3.025 1.00 0.00 O ATOM 400 CB PRO A 29 -8.275 8.441 -4.578 1.00 0.00 C ATOM 401 CG PRO A 29 -9.573 8.786 -3.933 1.00 0.00 C ATOM 402 CD PRO A 29 -10.094 7.506 -3.341 1.00 0.00 C ATOM 0 HA PRO A 29 -7.102 6.598 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.611 9.305 -4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.420 8.103 -5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.436 9.545 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.275 9.193 -4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.657 7.687 -2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.762 6.988 -4.029 1.00 0.00 H new ATOM 410 N GLU A 30 -7.109 7.836 -1.404 1.00 0.00 N ATOM 411 CA GLU A 30 -6.279 8.358 -0.324 1.00 0.00 C ATOM 412 C GLU A 30 -5.963 7.267 0.695 1.00 0.00 C ATOM 413 O GLU A 30 -4.986 7.360 1.438 1.00 0.00 O ATOM 414 CB GLU A 30 -6.980 9.529 0.367 1.00 0.00 C ATOM 415 CG GLU A 30 -8.328 9.165 0.965 1.00 0.00 C ATOM 416 CD GLU A 30 -8.781 10.149 2.026 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.714 11.369 1.772 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.203 9.697 3.111 1.00 0.00 O ATOM 0 H GLU A 30 -7.987 7.418 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.342 8.709 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.334 9.913 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.118 10.335 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.074 9.123 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.270 8.168 1.401 1.00 0.00 H new ATOM 425 N CYS A 31 -6.797 6.233 0.724 1.00 0.00 N ATOM 426 CA CYS A 31 -6.609 5.124 1.651 1.00 0.00 C ATOM 427 C CYS A 31 -5.494 4.197 1.172 1.00 0.00 C ATOM 428 O CYS A 31 -4.506 3.984 1.874 1.00 0.00 O ATOM 429 CB CYS A 31 -7.911 4.335 1.807 1.00 0.00 C ATOM 430 SG CYS A 31 -9.133 5.128 2.900 1.00 0.00 S ATOM 0 H CYS A 31 -7.610 6.140 0.115 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.324 5.537 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.358 4.193 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.679 3.344 2.198 1.00 0.00 H new ATOM 435 N PHE A 32 -5.662 3.651 -0.027 1.00 0.00 N ATOM 436 CA PHE A 32 -4.671 2.747 -0.600 1.00 0.00 C ATOM 437 C PHE A 32 -3.292 3.399 -0.630 1.00 0.00 C ATOM 438 O PHE A 32 -2.867 3.931 -1.655 1.00 0.00 O ATOM 439 CB PHE A 32 -5.083 2.335 -2.015 1.00 0.00 C ATOM 440 CG PHE A 32 -4.379 1.104 -2.510 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.593 -0.124 -1.905 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.503 1.175 -3.581 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.945 -1.257 -2.359 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.852 0.045 -4.040 1.00 0.00 C ATOM 445 CZ PHE A 32 -3.075 -1.173 -3.428 1.00 0.00 C ATOM 0 H PHE A 32 -6.474 3.818 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.620 1.859 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.159 2.161 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.880 3.159 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.274 -0.197 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.326 2.125 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.119 -2.208 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.171 0.114 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.570 -2.058 -3.785 1.00 0.00 H new ATOM 455 N ARG A 33 -2.599 3.355 0.503 1.00 0.00 N ATOM 456 CA ARG A 33 -1.269 3.943 0.608 1.00 0.00 C ATOM 457 C ARG A 33 -0.217 2.866 0.861 1.00 0.00 C ATOM 458 O ARG A 33 -0.544 1.692 1.035 1.00 0.00 O ATOM 459 CB ARG A 33 -1.234 4.979 1.733 1.00 0.00 C ATOM 460 CG ARG A 33 -2.151 6.167 1.495 1.00 0.00 C ATOM 461 CD ARG A 33 -2.087 7.160 2.645 1.00 0.00 C ATOM 462 NE ARG A 33 -3.001 6.803 3.728 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.105 7.492 4.858 1.00 0.00 C ATOM 464 NH1 ARG A 33 -2.357 8.569 5.054 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.960 7.104 5.796 1.00 0.00 N ATOM 0 H ARG A 33 -2.936 2.918 1.361 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.041 4.435 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.514 4.496 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.212 5.338 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.870 6.665 0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.176 5.818 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.068 7.204 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.332 8.157 2.278 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.591 5.980 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.699 8.871 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.440 9.096 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.537 6.276 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.040 7.634 6.664 1.00 0.00 H new ATOM 479 N CYS A 34 1.048 3.275 0.879 1.00 0.00 N ATOM 480 CA CYS A 34 2.148 2.347 1.109 1.00 0.00 C ATOM 481 C CYS A 34 2.052 1.723 2.499 1.00 0.00 C ATOM 482 O CYS A 34 1.275 2.173 3.340 1.00 0.00 O ATOM 483 CB CYS A 34 3.490 3.065 0.952 1.00 0.00 C ATOM 484 SG CYS A 34 4.919 1.946 0.794 1.00 0.00 S ATOM 0 H CYS A 34 1.336 4.243 0.737 1.00 0.00 H new ATOM 0 HA CYS A 34 2.080 1.551 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.446 3.707 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.645 3.715 1.813 1.00 0.00 H new ATOM 489 N ASP A 35 2.848 0.685 2.731 1.00 0.00 N ATOM 490 CA ASP A 35 2.855 0.000 4.018 1.00 0.00 C ATOM 491 C ASP A 35 4.110 0.348 4.813 1.00 0.00 C ATOM 492 O ASP A 35 4.309 -0.141 5.926 1.00 0.00 O ATOM 493 CB ASP A 35 2.768 -1.513 3.815 1.00 0.00 C ATOM 494 CG ASP A 35 2.601 -2.265 5.121 1.00 0.00 C ATOM 495 OD1 ASP A 35 1.542 -2.108 5.765 1.00 0.00 O ATOM 496 OD2 ASP A 35 3.529 -3.010 5.499 1.00 0.00 O ATOM 0 H ASP A 35 3.497 0.300 2.045 1.00 0.00 H new ATOM 0 HA ASP A 35 1.985 0.333 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.928 -1.741 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.670 -1.861 3.312 1.00 0.00 H new ATOM 501 N LEU A 36 4.954 1.194 4.234 1.00 0.00 N ATOM 502 CA LEU A 36 6.192 1.607 4.887 1.00 0.00 C ATOM 503 C LEU A 36 6.245 3.123 5.044 1.00 0.00 C ATOM 504 O LEU A 36 6.783 3.638 6.025 1.00 0.00 O ATOM 505 CB LEU A 36 7.401 1.124 4.084 1.00 0.00 C ATOM 506 CG LEU A 36 7.628 -0.388 4.057 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.290 -0.805 2.753 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.470 -0.823 5.248 1.00 0.00 C ATOM 0 H LEU A 36 4.804 1.608 3.314 1.00 0.00 H new ATOM 0 HA LEU A 36 6.218 1.156 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.293 1.473 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.295 1.598 4.490 1.00 0.00 H new ATOM 0 HG LEU A 36 6.659 -0.883 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.444 -1.884 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.650 -0.529 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.252 -0.301 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.621 -1.902 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.436 -0.320 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.956 -0.559 6.172 1.00 0.00 H new ATOM 520 N CYS A 37 5.681 3.834 4.073 1.00 0.00 N ATOM 521 CA CYS A 37 5.661 5.291 4.104 1.00 0.00 C ATOM 522 C CYS A 37 4.235 5.819 3.975 1.00 0.00 C ATOM 523 O CYS A 37 3.997 7.022 4.075 1.00 0.00 O ATOM 524 CB CYS A 37 6.530 5.857 2.979 1.00 0.00 C ATOM 525 SG CYS A 37 5.868 5.562 1.308 1.00 0.00 S ATOM 0 H CYS A 37 5.231 3.424 3.254 1.00 0.00 H new ATOM 0 HA CYS A 37 6.064 5.615 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.645 6.931 3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.525 5.417 3.047 1.00 0.00 H new ATOM 530 N GLN A 38 3.291 4.910 3.752 1.00 0.00 N ATOM 531 CA GLN A 38 1.890 5.284 3.609 1.00 0.00 C ATOM 532 C GLN A 38 1.716 6.339 2.521 1.00 0.00 C ATOM 533 O GLN A 38 1.136 7.398 2.758 1.00 0.00 O ATOM 534 CB GLN A 38 1.342 5.809 4.937 1.00 0.00 C ATOM 535 CG GLN A 38 1.714 4.947 6.133 1.00 0.00 C ATOM 536 CD GLN A 38 0.691 3.864 6.413 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.459 4.151 6.745 1.00 0.00 O ATOM 538 NE2 GLN A 38 1.106 2.609 6.280 1.00 0.00 N ATOM 0 H GLN A 38 3.472 3.910 3.667 1.00 0.00 H new ATOM 0 HA GLN A 38 1.331 4.394 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.714 6.821 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.256 5.875 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.686 4.486 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.817 5.580 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.069 2.417 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.462 1.838 6.455 1.00 0.00 H new ATOM 547 N GLU A 39 2.223 6.041 1.329 1.00 0.00 N ATOM 548 CA GLU A 39 2.125 6.966 0.206 1.00 0.00 C ATOM 549 C GLU A 39 1.047 6.515 -0.776 1.00 0.00 C ATOM 550 O GLU A 39 1.127 5.429 -1.349 1.00 0.00 O ATOM 551 CB GLU A 39 3.471 7.075 -0.513 1.00 0.00 C ATOM 552 CG GLU A 39 3.400 7.837 -1.826 1.00 0.00 C ATOM 553 CD GLU A 39 4.746 8.391 -2.252 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.733 7.626 -2.235 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.812 9.587 -2.603 1.00 0.00 O ATOM 0 H GLU A 39 2.705 5.168 1.116 1.00 0.00 H new ATOM 0 HA GLU A 39 1.850 7.945 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.186 7.568 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.853 6.072 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.020 7.176 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.688 8.657 -1.728 1.00 0.00 H new ATOM 562 N VAL A 40 0.037 7.359 -0.965 1.00 0.00 N ATOM 563 CA VAL A 40 -1.058 7.050 -1.877 1.00 0.00 C ATOM 564 C VAL A 40 -0.546 6.353 -3.132 1.00 0.00 C ATOM 565 O VAL A 40 0.130 6.962 -3.962 1.00 0.00 O ATOM 566 CB VAL A 40 -1.824 8.322 -2.285 1.00 0.00 C ATOM 567 CG1 VAL A 40 -3.108 7.960 -3.016 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.120 9.180 -1.065 1.00 0.00 C ATOM 0 H VAL A 40 -0.045 8.262 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.736 6.382 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.198 8.900 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.636 8.871 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.868 7.389 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.742 7.360 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.662 10.075 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.727 8.612 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.184 9.469 -0.587 1.00 0.00 H new ATOM 578 N LEU A 41 -0.874 5.072 -3.266 1.00 0.00 N ATOM 579 CA LEU A 41 -0.448 4.290 -4.422 1.00 0.00 C ATOM 580 C LEU A 41 -1.572 4.178 -5.447 1.00 0.00 C ATOM 581 O LEU A 41 -1.767 3.127 -6.056 1.00 0.00 O ATOM 582 CB LEU A 41 -0.002 2.895 -3.982 1.00 0.00 C ATOM 583 CG LEU A 41 0.595 2.792 -2.578 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.339 1.415 -1.988 1.00 0.00 C ATOM 585 CD2 LEU A 41 2.087 3.092 -2.610 1.00 0.00 C ATOM 0 H LEU A 41 -1.433 4.553 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 41 0.393 4.803 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.861 2.226 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.736 2.529 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 41 0.109 3.532 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.771 1.361 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.735 1.238 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.797 0.656 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.495 3.014 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.588 2.376 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.247 4.101 -2.989 1.00 0.00 H new ATOM 597 N ALA A 42 -2.307 5.269 -5.634 1.00 0.00 N ATOM 598 CA ALA A 42 -3.408 5.294 -6.588 1.00 0.00 C ATOM 599 C ALA A 42 -2.899 5.512 -8.009 1.00 0.00 C ATOM 600 O ALA A 42 -3.224 4.749 -8.919 1.00 0.00 O ATOM 601 CB ALA A 42 -4.408 6.378 -6.212 1.00 0.00 C ATOM 0 H ALA A 42 -2.160 6.147 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.908 4.326 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.225 6.385 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.804 6.178 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.912 7.348 -6.216 1.00 0.00 H new ATOM 607 N ASP A 43 -2.100 6.557 -8.192 1.00 0.00 N ATOM 608 CA ASP A 43 -1.545 6.875 -9.502 1.00 0.00 C ATOM 609 C ASP A 43 -0.170 6.239 -9.679 1.00 0.00 C ATOM 610 O ASP A 43 0.061 5.489 -10.629 1.00 0.00 O ATOM 611 CB ASP A 43 -1.447 8.390 -9.685 1.00 0.00 C ATOM 612 CG ASP A 43 -2.797 9.032 -9.936 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.800 8.544 -9.374 1.00 0.00 O ATOM 614 OD2 ASP A 43 -2.851 10.022 -10.695 1.00 0.00 O ATOM 0 H ASP A 43 -1.822 7.199 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.214 6.468 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.998 8.832 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.783 8.610 -10.521 1.00 0.00 H new ATOM 619 N ILE A 44 0.740 6.543 -8.760 1.00 0.00 N ATOM 620 CA ILE A 44 2.092 6.001 -8.814 1.00 0.00 C ATOM 621 C ILE A 44 2.071 4.480 -8.913 1.00 0.00 C ATOM 622 O ILE A 44 2.940 3.876 -9.540 1.00 0.00 O ATOM 623 CB ILE A 44 2.914 6.413 -7.578 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.216 5.950 -6.298 1.00 0.00 C ATOM 625 CG2 ILE A 44 3.123 7.919 -7.559 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.015 6.222 -5.042 1.00 0.00 C ATOM 0 H ILE A 44 0.565 7.162 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 44 2.562 6.414 -9.707 1.00 0.00 H new ATOM 0 HB ILE A 44 3.890 5.932 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.250 6.449 -6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.018 4.881 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.705 8.194 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.658 8.223 -8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.156 8.420 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.460 5.868 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.971 5.701 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.191 7.294 -4.948 1.00 0.00 H new ATOM 638 N GLY A 45 1.069 3.866 -8.291 1.00 0.00 N ATOM 639 CA GLY A 45 0.951 2.419 -8.323 1.00 0.00 C ATOM 640 C GLY A 45 1.608 1.758 -7.127 1.00 0.00 C ATOM 641 O GLY A 45 2.338 2.404 -6.375 1.00 0.00 O ATOM 0 H GLY A 45 0.337 4.344 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.103 2.144 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.405 2.040 -9.239 1.00 0.00 H new ATOM 645 N PHE A 46 1.348 0.467 -6.950 1.00 0.00 N ATOM 646 CA PHE A 46 1.917 -0.282 -5.836 1.00 0.00 C ATOM 647 C PHE A 46 2.787 -1.429 -6.340 1.00 0.00 C ATOM 648 O PHE A 46 2.782 -1.753 -7.527 1.00 0.00 O ATOM 649 CB PHE A 46 0.803 -0.827 -4.939 1.00 0.00 C ATOM 650 CG PHE A 46 -0.060 -1.855 -5.613 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.005 -1.477 -6.553 1.00 0.00 C ATOM 652 CD2 PHE A 46 0.074 -3.200 -5.306 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.801 -2.420 -7.175 1.00 0.00 C ATOM 654 CE2 PHE A 46 -0.719 -4.147 -5.925 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.658 -3.757 -6.860 1.00 0.00 C ATOM 0 H PHE A 46 0.747 -0.082 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 46 2.542 0.396 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.248 -1.267 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.176 0.001 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.121 -0.433 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.806 -3.511 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.534 -2.112 -7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.605 -5.192 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.279 -4.496 -7.344 1.00 0.00 H new ATOM 665 N VAL A 47 3.536 -2.040 -5.427 1.00 0.00 N ATOM 666 CA VAL A 47 4.412 -3.152 -5.777 1.00 0.00 C ATOM 667 C VAL A 47 4.244 -4.312 -4.803 1.00 0.00 C ATOM 668 O VAL A 47 4.780 -4.291 -3.695 1.00 0.00 O ATOM 669 CB VAL A 47 5.890 -2.719 -5.791 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.786 -3.889 -6.166 1.00 0.00 C ATOM 671 CG2 VAL A 47 6.094 -1.553 -6.747 1.00 0.00 C ATOM 0 H VAL A 47 3.554 -1.784 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 47 4.126 -3.477 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 47 6.164 -2.390 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.826 -3.564 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.660 -4.691 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.515 -4.252 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.144 -1.260 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.803 -1.853 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.481 -0.710 -6.428 1.00 0.00 H new ATOM 681 N LYS A 48 3.494 -5.326 -5.224 1.00 0.00 N ATOM 682 CA LYS A 48 3.255 -6.498 -4.390 1.00 0.00 C ATOM 683 C LYS A 48 4.559 -7.015 -3.790 1.00 0.00 C ATOM 684 O LYS A 48 5.524 -7.273 -4.508 1.00 0.00 O ATOM 685 CB LYS A 48 2.585 -7.604 -5.210 1.00 0.00 C ATOM 686 CG LYS A 48 1.077 -7.656 -5.043 1.00 0.00 C ATOM 687 CD LYS A 48 0.685 -8.069 -3.634 1.00 0.00 C ATOM 688 CE LYS A 48 0.535 -9.578 -3.517 1.00 0.00 C ATOM 689 NZ LYS A 48 1.797 -10.227 -3.064 1.00 0.00 N ATOM 0 H LYS A 48 3.042 -5.359 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 48 2.593 -6.204 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.821 -7.457 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.008 -8.566 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.651 -6.678 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.655 -8.360 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.440 -7.722 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.253 -7.587 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.265 -9.810 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.241 -9.990 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.063 -10.975 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.555 -9.517 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.655 -10.643 -2.122 1.00 0.00 H new ATOM 703 N ASN A 49 4.579 -7.163 -2.469 1.00 0.00 N ATOM 704 CA ASN A 49 5.764 -7.650 -1.773 1.00 0.00 C ATOM 705 C ASN A 49 5.397 -8.219 -0.406 1.00 0.00 C ATOM 706 O ASN A 49 4.862 -7.513 0.448 1.00 0.00 O ATOM 707 CB ASN A 49 6.785 -6.521 -1.610 1.00 0.00 C ATOM 708 CG ASN A 49 8.087 -7.003 -1.000 1.00 0.00 C ATOM 709 OD1 ASN A 49 8.922 -6.064 -0.572 1.00 0.00 O flip ATOM 710 ND2 ASN A 49 8.338 -8.205 -0.914 1.00 0.00 N flip ATOM 0 H ASN A 49 3.788 -6.953 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 49 6.205 -8.447 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.987 -6.074 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.360 -5.738 -0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.666 -8.892 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.218 -8.514 -0.500 1.00 0.00 H new ATOM 717 N ALA A 50 5.689 -9.500 -0.207 1.00 0.00 N ATOM 718 CA ALA A 50 5.392 -10.164 1.056 1.00 0.00 C ATOM 719 C ALA A 50 3.936 -9.953 1.458 1.00 0.00 C ATOM 720 O ALA A 50 3.619 -9.839 2.641 1.00 0.00 O ATOM 721 CB ALA A 50 6.322 -9.659 2.149 1.00 0.00 C ATOM 0 H ALA A 50 6.131 -10.099 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 50 5.553 -11.234 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.089 -10.163 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.356 -9.867 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.189 -8.584 2.272 1.00 0.00 H new ATOM 727 N GLY A 51 3.054 -9.902 0.465 1.00 0.00 N ATOM 728 CA GLY A 51 1.642 -9.704 0.736 1.00 0.00 C ATOM 729 C GLY A 51 1.340 -8.311 1.250 1.00 0.00 C ATOM 730 O GLY A 51 0.395 -8.115 2.013 1.00 0.00 O ATOM 0 H GLY A 51 3.292 -9.994 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.072 -9.883 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.310 -10.439 1.470 1.00 0.00 H new ATOM 734 N ARG A 52 2.146 -7.340 0.832 1.00 0.00 N ATOM 735 CA ARG A 52 1.962 -5.958 1.257 1.00 0.00 C ATOM 736 C ARG A 52 2.120 -5.001 0.079 1.00 0.00 C ATOM 737 O ARG A 52 2.964 -5.208 -0.794 1.00 0.00 O ATOM 738 CB ARG A 52 2.966 -5.602 2.355 1.00 0.00 C ATOM 739 CG ARG A 52 2.838 -6.463 3.600 1.00 0.00 C ATOM 740 CD ARG A 52 4.035 -6.292 4.522 1.00 0.00 C ATOM 741 NE ARG A 52 4.146 -7.385 5.484 1.00 0.00 N ATOM 742 CZ ARG A 52 4.805 -7.289 6.633 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.408 -6.155 6.962 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.862 -8.328 7.456 1.00 0.00 N ATOM 0 H ARG A 52 2.933 -7.485 0.199 1.00 0.00 H new ATOM 0 HA ARG A 52 0.951 -5.857 1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.976 -5.701 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.833 -4.556 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.925 -6.199 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.746 -7.510 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.946 -6.239 3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.948 -5.346 5.057 1.00 0.00 H new ATOM 0 HE ARG A 52 3.692 -8.271 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.366 -5.354 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.914 -6.084 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.399 -9.202 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.369 -8.253 8.338 1.00 0.00 H new ATOM 758 N HIS A 53 1.302 -3.953 0.060 1.00 0.00 N ATOM 759 CA HIS A 53 1.351 -2.964 -1.011 1.00 0.00 C ATOM 760 C HIS A 53 2.368 -1.872 -0.696 1.00 0.00 C ATOM 761 O HIS A 53 2.160 -1.055 0.203 1.00 0.00 O ATOM 762 CB HIS A 53 -0.031 -2.345 -1.224 1.00 0.00 C ATOM 763 CG HIS A 53 -0.617 -1.745 0.017 1.00 0.00 C ATOM 764 ND1 HIS A 53 0.018 -1.779 1.241 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.785 -1.093 0.218 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.736 -1.174 2.142 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.836 -0.749 1.547 1.00 0.00 N ATOM 0 H HIS A 53 0.598 -3.767 0.774 1.00 0.00 H new ATOM 0 HA HIS A 53 1.660 -3.469 -1.926 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.040 -1.574 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.708 -3.111 -1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.537 -0.882 -0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.494 -1.048 3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.599 -0.247 2.001 1.00 0.00 H new ATOM 776 N LEU A 54 3.469 -1.864 -1.439 1.00 0.00 N ATOM 777 CA LEU A 54 4.520 -0.872 -1.239 1.00 0.00 C ATOM 778 C LEU A 54 4.727 -0.037 -2.498 1.00 0.00 C ATOM 779 O LEU A 54 4.279 -0.407 -3.583 1.00 0.00 O ATOM 780 CB LEU A 54 5.829 -1.559 -0.847 1.00 0.00 C ATOM 781 CG LEU A 54 5.694 -2.848 -0.036 1.00 0.00 C ATOM 782 CD1 LEU A 54 7.021 -3.590 0.013 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.198 -2.545 1.370 1.00 0.00 C ATOM 0 H LEU A 54 3.657 -2.533 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 54 4.210 -0.208 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.385 -1.783 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.429 -0.853 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 54 4.961 -3.488 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.905 -4.505 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.335 -3.841 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.775 -2.956 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.108 -3.474 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.906 -1.885 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.224 -2.058 1.315 1.00 0.00 H new ATOM 795 N CYS A 55 5.412 1.092 -2.347 1.00 0.00 N ATOM 796 CA CYS A 55 5.682 1.980 -3.471 1.00 0.00 C ATOM 797 C CYS A 55 7.094 1.764 -4.009 1.00 0.00 C ATOM 798 O CYS A 55 8.008 1.420 -3.260 1.00 0.00 O ATOM 799 CB CYS A 55 5.503 3.440 -3.050 1.00 0.00 C ATOM 800 SG CYS A 55 6.761 4.033 -1.874 1.00 0.00 S ATOM 0 H CYS A 55 5.790 1.413 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 55 4.971 1.748 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.527 4.069 -3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.517 3.560 -2.602 1.00 0.00 H new ATOM 805 N ARG A 56 7.263 1.968 -5.311 1.00 0.00 N ATOM 806 CA ARG A 56 8.562 1.794 -5.950 1.00 0.00 C ATOM 807 C ARG A 56 9.689 2.220 -5.013 1.00 0.00 C ATOM 808 O ARG A 56 10.635 1.473 -4.761 1.00 0.00 O ATOM 809 CB ARG A 56 8.629 2.603 -7.246 1.00 0.00 C ATOM 810 CG ARG A 56 8.384 1.772 -8.496 1.00 0.00 C ATOM 811 CD ARG A 56 9.036 2.400 -9.718 1.00 0.00 C ATOM 812 NE ARG A 56 8.407 1.959 -10.960 1.00 0.00 N ATOM 813 CZ ARG A 56 7.287 2.485 -11.444 1.00 0.00 C ATOM 814 NH1 ARG A 56 6.676 3.465 -10.793 1.00 0.00 N ATOM 815 NH2 ARG A 56 6.776 2.030 -12.581 1.00 0.00 N ATOM 0 H ARG A 56 6.516 2.254 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 56 8.686 0.737 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.892 3.405 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.609 3.075 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.777 0.766 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.312 1.673 -8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.973 3.486 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.095 2.143 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 56 8.852 1.206 -11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.066 3.817 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.816 3.867 -11.167 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.243 1.276 -13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.916 2.435 -12.952 1.00 0.00 H new ATOM 829 N PRO A 57 9.587 3.449 -4.486 1.00 0.00 N ATOM 830 CA PRO A 57 10.589 4.002 -3.569 1.00 0.00 C ATOM 831 C PRO A 57 10.956 3.027 -2.455 1.00 0.00 C ATOM 832 O PRO A 57 12.117 2.647 -2.305 1.00 0.00 O ATOM 833 CB PRO A 57 9.897 5.239 -2.992 1.00 0.00 C ATOM 834 CG PRO A 57 8.911 5.642 -4.034 1.00 0.00 C ATOM 835 CD PRO A 57 8.487 4.393 -4.742 1.00 0.00 C ATOM 0 HA PRO A 57 11.529 4.221 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.404 5.012 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.613 6.037 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.053 6.139 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.357 6.349 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.540 4.017 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.350 4.566 -5.809 1.00 0.00 H new ATOM 843 N CYS A 58 9.958 2.626 -1.674 1.00 0.00 N ATOM 844 CA CYS A 58 10.174 1.696 -0.573 1.00 0.00 C ATOM 845 C CYS A 58 10.569 0.317 -1.095 1.00 0.00 C ATOM 846 O CYS A 58 11.663 -0.175 -0.815 1.00 0.00 O ATOM 847 CB CYS A 58 8.913 1.586 0.285 1.00 0.00 C ATOM 848 SG CYS A 58 8.414 3.149 1.078 1.00 0.00 S ATOM 0 H CYS A 58 8.991 2.931 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 58 10.989 2.081 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.093 1.229 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.077 0.835 1.058 1.00 0.00 H new ATOM 853 N HIS A 59 9.671 -0.301 -1.855 1.00 0.00 N ATOM 854 CA HIS A 59 9.926 -1.623 -2.417 1.00 0.00 C ATOM 855 C HIS A 59 11.357 -1.727 -2.934 1.00 0.00 C ATOM 856 O HIS A 59 11.939 -2.810 -2.963 1.00 0.00 O ATOM 857 CB HIS A 59 8.940 -1.917 -3.549 1.00 0.00 C ATOM 858 CG HIS A 59 9.208 -3.210 -4.255 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.088 -4.440 -3.644 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.590 -3.461 -5.529 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.387 -5.391 -4.511 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.694 -4.823 -5.663 1.00 0.00 N ATOM 0 H HIS A 59 8.761 0.092 -2.096 1.00 0.00 H new ATOM 0 HA HIS A 59 9.790 -2.360 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.929 -1.937 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.977 -1.103 -4.273 1.00 0.00 H new ATOM 0 HD1 HIS A 59 8.812 -4.592 -2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.778 -2.726 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.381 -6.452 -4.312 1.00 0.00 H new ATOM 871 N ASN A 60 11.918 -0.593 -3.341 1.00 0.00 N ATOM 872 CA ASN A 60 13.282 -0.557 -3.858 1.00 0.00 C ATOM 873 C ASN A 60 14.293 -0.459 -2.720 1.00 0.00 C ATOM 874 O ASN A 60 15.392 -1.006 -2.803 1.00 0.00 O ATOM 875 CB ASN A 60 13.456 0.624 -4.814 1.00 0.00 C ATOM 876 CG ASN A 60 13.035 0.289 -6.232 1.00 0.00 C ATOM 877 OD1 ASN A 60 13.439 -0.734 -6.785 1.00 0.00 O ATOM 878 ND2 ASN A 60 12.219 1.151 -6.826 1.00 0.00 N ATOM 0 H ASN A 60 11.450 0.313 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 60 13.463 -1.485 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.869 1.469 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.500 0.938 -4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.901 0.978 -7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.910 1.986 -6.329 1.00 0.00 H new ATOM 885 N ARG A 61 13.912 0.242 -1.657 1.00 0.00 N ATOM 886 CA ARG A 61 14.785 0.413 -0.502 1.00 0.00 C ATOM 887 C ARG A 61 14.871 -0.876 0.310 1.00 0.00 C ATOM 888 O ARG A 61 15.947 -1.263 0.765 1.00 0.00 O ATOM 889 CB ARG A 61 14.278 1.553 0.384 1.00 0.00 C ATOM 890 CG ARG A 61 13.349 1.093 1.496 1.00 0.00 C ATOM 891 CD ARG A 61 12.734 2.274 2.231 1.00 0.00 C ATOM 892 NE ARG A 61 13.592 2.753 3.312 1.00 0.00 N ATOM 893 CZ ARG A 61 13.152 3.487 4.328 1.00 0.00 C ATOM 894 NH1 ARG A 61 11.872 3.824 4.402 1.00 0.00 N ATOM 895 NH2 ARG A 61 13.994 3.885 5.273 1.00 0.00 N ATOM 0 H ARG A 61 13.005 0.701 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 61 15.782 0.661 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.132 2.067 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.755 2.280 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.558 0.471 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.902 0.472 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.552 3.085 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.766 1.983 2.638 1.00 0.00 H new ATOM 0 HE ARG A 61 14.582 2.511 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.222 3.520 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.537 4.388 5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.979 3.627 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.656 4.449 6.053 1.00 0.00 H new ATOM 909 N GLU A 62 13.730 -1.535 0.488 1.00 0.00 N ATOM 910 CA GLU A 62 13.677 -2.779 1.246 1.00 0.00 C ATOM 911 C GLU A 62 14.455 -3.883 0.535 1.00 0.00 C ATOM 912 O GLU A 62 15.349 -4.501 1.113 1.00 0.00 O ATOM 913 CB GLU A 62 12.225 -3.215 1.453 1.00 0.00 C ATOM 914 CG GLU A 62 11.429 -3.313 0.163 1.00 0.00 C ATOM 915 CD GLU A 62 11.499 -4.693 -0.462 1.00 0.00 C ATOM 916 OE1 GLU A 62 11.847 -5.653 0.257 1.00 0.00 O ATOM 917 OE2 GLU A 62 11.206 -4.813 -1.670 1.00 0.00 O ATOM 0 H GLU A 62 12.831 -1.228 0.118 1.00 0.00 H new ATOM 0 HA GLU A 62 14.137 -2.602 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.213 -4.184 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.734 -2.507 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.388 -3.061 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.804 -2.577 -0.548 1.00 0.00 H new ATOM 924 N LYS A 63 14.106 -4.127 -0.724 1.00 0.00 N ATOM 925 CA LYS A 63 14.770 -5.155 -1.517 1.00 0.00 C ATOM 926 C LYS A 63 16.258 -4.855 -1.661 1.00 0.00 C ATOM 927 O LYS A 63 17.086 -5.766 -1.678 1.00 0.00 O ATOM 928 CB LYS A 63 14.123 -5.258 -2.901 1.00 0.00 C ATOM 929 CG LYS A 63 14.541 -4.149 -3.851 1.00 0.00 C ATOM 930 CD LYS A 63 14.244 -4.512 -5.296 1.00 0.00 C ATOM 931 CE LYS A 63 12.772 -4.322 -5.627 1.00 0.00 C ATOM 932 NZ LYS A 63 12.480 -4.626 -7.055 1.00 0.00 N ATOM 0 H LYS A 63 13.367 -3.626 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 63 14.658 -6.107 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.381 -6.220 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.039 -5.239 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.017 -3.229 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.607 -3.952 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.850 -3.895 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.528 -5.549 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.170 -4.968 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.480 -3.295 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.464 -4.817 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.747 -3.812 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.025 -5.461 -7.351 1.00 0.00 H new ATOM 946 N ALA A 64 16.592 -3.573 -1.762 1.00 0.00 N ATOM 947 CA ALA A 64 17.981 -3.154 -1.901 1.00 0.00 C ATOM 948 C ALA A 64 18.885 -3.925 -0.946 1.00 0.00 C ATOM 949 O ALA A 64 18.719 -3.858 0.272 1.00 0.00 O ATOM 950 CB ALA A 64 18.107 -1.657 -1.656 1.00 0.00 C ATOM 0 H ALA A 64 15.919 -2.806 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 64 18.301 -3.373 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 64 19.150 -1.357 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.498 -1.117 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.764 -1.423 -0.648 1.00 0.00 H new ATOM 956 N SER A 65 19.842 -4.659 -1.506 1.00 0.00 N ATOM 957 CA SER A 65 20.770 -5.447 -0.704 1.00 0.00 C ATOM 958 C SER A 65 20.028 -6.520 0.087 1.00 0.00 C ATOM 959 O SER A 65 20.209 -6.653 1.297 1.00 0.00 O ATOM 960 CB SER A 65 21.549 -4.541 0.251 1.00 0.00 C ATOM 961 OG SER A 65 22.555 -3.819 -0.438 1.00 0.00 O ATOM 0 H SER A 65 19.995 -4.724 -2.512 1.00 0.00 H new ATOM 0 HA SER A 65 21.470 -5.937 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.865 -3.845 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.003 -5.142 1.039 1.00 0.00 H new ATOM 0 HG SER A 65 23.037 -3.246 0.194 1.00 0.00 H new ATOM 967 N GLY A 66 19.190 -7.285 -0.607 1.00 0.00 N ATOM 968 CA GLY A 66 18.433 -8.337 0.045 1.00 0.00 C ATOM 969 C GLY A 66 18.378 -9.609 -0.778 1.00 0.00 C ATOM 970 O GLY A 66 19.273 -9.898 -1.573 1.00 0.00 O ATOM 0 H GLY A 66 19.022 -7.194 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.881 -8.555 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.418 -7.986 0.234 1.00 0.00 H new ATOM 974 N PRO A 67 17.308 -10.395 -0.590 1.00 0.00 N ATOM 975 CA PRO A 67 17.116 -11.656 -1.311 1.00 0.00 C ATOM 976 C PRO A 67 16.818 -11.438 -2.791 1.00 0.00 C ATOM 977 O PRO A 67 16.577 -12.391 -3.532 1.00 0.00 O ATOM 978 CB PRO A 67 15.910 -12.286 -0.610 1.00 0.00 C ATOM 979 CG PRO A 67 15.164 -11.133 -0.032 1.00 0.00 C ATOM 980 CD PRO A 67 16.203 -10.113 0.342 1.00 0.00 C ATOM 0 HA PRO A 67 18.011 -12.278 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.292 -12.846 -1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.223 -12.984 0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.458 -10.724 -0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.586 -11.440 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.828 -9.096 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.516 -10.220 1.381 1.00 0.00 H new ATOM 988 N SER A 68 16.836 -10.178 -3.214 1.00 0.00 N ATOM 989 CA SER A 68 16.565 -9.835 -4.605 1.00 0.00 C ATOM 990 C SER A 68 17.092 -10.916 -5.544 1.00 0.00 C ATOM 991 O SER A 68 16.334 -11.514 -6.307 1.00 0.00 O ATOM 992 CB SER A 68 17.199 -8.487 -4.953 1.00 0.00 C ATOM 993 OG SER A 68 16.847 -7.497 -4.002 1.00 0.00 O ATOM 0 H SER A 68 17.035 -9.378 -2.613 1.00 0.00 H new ATOM 0 HA SER A 68 15.485 -9.764 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.283 -8.590 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.874 -8.174 -5.945 1.00 0.00 H new ATOM 0 HG SER A 68 17.583 -7.377 -3.367 1.00 0.00 H new ATOM 999 N SER A 69 18.397 -11.159 -5.482 1.00 0.00 N ATOM 1000 CA SER A 69 19.028 -12.165 -6.329 1.00 0.00 C ATOM 1001 C SER A 69 18.410 -13.540 -6.092 1.00 0.00 C ATOM 1002 O SER A 69 18.167 -13.936 -4.953 1.00 0.00 O ATOM 1003 CB SER A 69 20.533 -12.216 -6.061 1.00 0.00 C ATOM 1004 OG SER A 69 20.801 -12.629 -4.732 1.00 0.00 O ATOM 0 H SER A 69 19.038 -10.673 -4.855 1.00 0.00 H new ATOM 0 HA SER A 69 18.861 -11.886 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.007 -12.904 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.970 -11.233 -6.235 1.00 0.00 H new ATOM 0 HG SER A 69 21.770 -12.655 -4.587 1.00 0.00 H new ATOM 1010 N GLY A 70 18.159 -14.264 -7.179 1.00 0.00 N ATOM 1011 CA GLY A 70 17.572 -15.587 -7.069 1.00 0.00 C ATOM 1012 C GLY A 70 16.338 -15.747 -7.934 1.00 0.00 C ATOM 1013 O GLY A 70 16.030 -16.867 -8.338 1.00 0.00 O ATOM 0 H GLY A 70 18.352 -13.958 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.312 -16.334 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.310 -15.780 -6.029 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.223 4.336 2.485 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.589 3.552 0.311 1.00 0.00 ZN