USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 CYS SG : rot 120:sc= 0.549 USER MOD Set 1.2: A 54 CYS SG : rot -140:sc= 0.288 USER MOD Set 1.3: A 57 CYS SG : rot -159:sc= 0.6 USER MOD Set 2.1: A 33 GLN : amide:sc= 0.339 K(o=0.63,f=-0.22) USER MOD Set 2.2: A 35 ASN : amide:sc= 0.295 K(o=0.63,f=-0.22) USER MOD Set 3.1: A 2 CYS SG : rot 141:sc= 1.09 USER MOD Set 3.2: A 5 CYS SG : rot -31:sc= 0.447 USER MOD Set 3.3: A 19 CYS SG : rot -123:sc= 0.473 USER MOD Set 3.4: A 22 CYS SG : rot 145:sc= 0.191 USER MOD Set 4.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0536) USER MOD Single : A 1 LEU N :NH3+ -142:sc= 0 (180deg=-0.339) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -63:sc=-6.99e-05 USER MOD Single : A 13 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.16) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.2) USER MOD Single : A 36 TYR OH : rot 120:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -145:sc= -0.213 (180deg=-1.54!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 108:sc= 0.455 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -160:sc= -1.33 (180deg=-1.77) USER MOD Single : A 68 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.862 5.771 4.241 1.00 0.00 N ATOM 2 CA LEU A 1 10.500 6.253 4.001 1.00 0.00 C ATOM 3 C LEU A 1 9.734 5.270 3.164 1.00 0.00 C ATOM 4 O LEU A 1 10.253 4.731 2.187 1.00 0.00 O ATOM 5 CB LEU A 1 10.509 7.613 3.250 1.00 0.00 C ATOM 6 CG LEU A 1 11.157 8.800 4.006 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.259 10.041 3.100 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.438 9.129 5.329 1.00 0.00 C ATOM 0 H1 LEU A 1 12.150 6.012 5.211 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.892 4.739 4.117 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.513 6.220 3.566 1.00 0.00 H new ATOM 0 HA LEU A 1 10.027 6.374 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.034 7.480 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.480 7.879 3.009 1.00 0.00 H new ATOM 0 HG LEU A 1 12.166 8.488 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.717 10.860 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.870 9.806 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.262 10.337 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.936 9.968 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.400 9.392 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.469 8.260 5.986 1.00 0.00 H new ATOM 22 N CYS A 2 8.422 5.078 3.511 1.00 0.00 N ATOM 23 CA CYS A 2 7.399 4.265 2.886 1.00 0.00 C ATOM 24 C CYS A 2 7.206 4.926 1.561 1.00 0.00 C ATOM 25 O CYS A 2 7.148 6.149 1.507 1.00 0.00 O ATOM 26 CB CYS A 2 6.093 4.198 3.736 1.00 0.00 C ATOM 27 SG CYS A 2 4.764 3.212 2.967 1.00 0.00 S ATOM 0 H CYS A 2 8.044 5.555 4.330 1.00 0.00 H new ATOM 0 HA CYS A 2 7.683 3.217 2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.328 3.775 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.729 5.211 3.906 1.00 0.00 H new ATOM 0 HG CYS A 2 4.141 2.534 3.884 1.00 0.00 H new ATOM 32 N LEU A 3 7.130 4.143 0.466 1.00 0.00 N ATOM 33 CA LEU A 3 7.043 4.713 -0.852 1.00 0.00 C ATOM 34 C LEU A 3 5.670 4.550 -1.425 1.00 0.00 C ATOM 35 O LEU A 3 5.447 4.610 -2.634 1.00 0.00 O ATOM 36 CB LEU A 3 8.055 4.046 -1.784 1.00 0.00 C ATOM 37 CG LEU A 3 9.516 4.402 -1.431 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.521 3.463 -2.116 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.849 5.878 -1.730 1.00 0.00 C ATOM 0 H LEU A 3 7.129 3.123 0.489 1.00 0.00 H new ATOM 0 HA LEU A 3 7.263 5.777 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.928 2.964 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.850 4.347 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 3 9.610 4.259 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.535 3.751 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.335 2.437 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.406 3.534 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.887 6.078 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.701 6.077 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.194 6.524 -1.145 1.00 0.00 H new ATOM 51 N VAL A 4 4.718 4.356 -0.508 1.00 0.00 N ATOM 52 CA VAL A 4 3.327 4.149 -0.780 1.00 0.00 C ATOM 53 C VAL A 4 2.560 5.249 -0.136 1.00 0.00 C ATOM 54 O VAL A 4 1.959 6.072 -0.821 1.00 0.00 O ATOM 55 CB VAL A 4 2.817 2.772 -0.278 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.377 2.474 -0.726 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.823 1.656 -0.596 1.00 0.00 C ATOM 0 H VAL A 4 4.927 4.342 0.490 1.00 0.00 H new ATOM 0 HA VAL A 4 3.182 4.153 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 4 2.755 2.816 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.072 1.499 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.708 3.241 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.328 2.471 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.437 0.704 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.974 1.598 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.773 1.873 -0.108 1.00 0.00 H new ATOM 67 N CYS A 5 2.533 5.256 1.211 1.00 0.00 N ATOM 68 CA CYS A 5 1.759 6.211 1.962 1.00 0.00 C ATOM 69 C CYS A 5 2.697 7.224 2.550 1.00 0.00 C ATOM 70 O CYS A 5 2.336 7.935 3.478 1.00 0.00 O ATOM 71 CB CYS A 5 0.804 5.576 3.021 1.00 0.00 C ATOM 72 SG CYS A 5 1.551 4.708 4.458 1.00 0.00 S ATOM 0 H CYS A 5 3.052 4.595 1.789 1.00 0.00 H new ATOM 0 HA CYS A 5 1.071 6.704 1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.163 6.368 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.158 4.867 2.503 1.00 0.00 H new ATOM 0 HG CYS A 5 2.685 4.179 4.104 1.00 0.00 H new ATOM 77 N SER A 6 3.926 7.318 1.982 1.00 0.00 N ATOM 78 CA SER A 6 4.931 8.356 2.233 1.00 0.00 C ATOM 79 C SER A 6 5.089 8.833 3.659 1.00 0.00 C ATOM 80 O SER A 6 4.971 10.015 3.981 1.00 0.00 O ATOM 81 CB SER A 6 4.827 9.518 1.227 1.00 0.00 C ATOM 82 OG SER A 6 4.407 9.069 -0.057 1.00 0.00 O ATOM 0 H SER A 6 4.250 6.630 1.302 1.00 0.00 H new ATOM 0 HA SER A 6 5.871 7.831 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.122 10.261 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.795 10.012 1.141 1.00 0.00 H new ATOM 0 HG SER A 6 4.351 9.833 -0.668 1.00 0.00 H new ATOM 88 N ASP A 7 5.344 7.840 4.530 1.00 0.00 N ATOM 89 CA ASP A 7 5.440 7.965 5.965 1.00 0.00 C ATOM 90 C ASP A 7 6.775 7.352 6.285 1.00 0.00 C ATOM 91 O ASP A 7 7.431 6.827 5.396 1.00 0.00 O ATOM 92 CB ASP A 7 4.244 7.175 6.574 1.00 0.00 C ATOM 93 CG ASP A 7 4.084 7.213 8.103 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.935 8.331 8.662 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.118 6.119 8.725 1.00 0.00 O ATOM 0 H ASP A 7 5.494 6.881 4.216 1.00 0.00 H new ATOM 0 HA ASP A 7 5.386 8.979 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.325 7.556 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.337 6.133 6.270 1.00 0.00 H new ATOM 100 N GLU A 8 7.211 7.369 7.570 1.00 0.00 N ATOM 101 CA GLU A 8 8.464 6.803 8.042 1.00 0.00 C ATOM 102 C GLU A 8 8.443 5.294 7.930 1.00 0.00 C ATOM 103 O GLU A 8 7.656 4.638 8.614 1.00 0.00 O ATOM 104 CB GLU A 8 8.888 7.276 9.460 1.00 0.00 C ATOM 105 CG GLU A 8 8.334 8.653 9.909 1.00 0.00 C ATOM 106 CD GLU A 8 8.904 9.803 9.065 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.146 10.018 9.112 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.103 10.476 8.364 1.00 0.00 O ATOM 0 H GLU A 8 6.667 7.797 8.319 1.00 0.00 H new ATOM 0 HA GLU A 8 9.239 7.193 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.569 6.525 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.977 7.314 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.247 8.650 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.578 8.818 10.959 1.00 0.00 H new ATOM 115 N ALA A 9 9.303 4.714 7.045 1.00 0.00 N ATOM 116 CA ALA A 9 9.341 3.285 6.800 1.00 0.00 C ATOM 117 C ALA A 9 10.159 2.593 7.849 1.00 0.00 C ATOM 118 O ALA A 9 11.268 3.005 8.186 1.00 0.00 O ATOM 119 CB ALA A 9 9.874 2.856 5.417 1.00 0.00 C ATOM 0 H ALA A 9 9.979 5.243 6.494 1.00 0.00 H new ATOM 0 HA ALA A 9 8.293 2.987 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.858 1.769 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.244 3.282 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.896 3.213 5.294 1.00 0.00 H new ATOM 125 N SER A 10 9.565 1.498 8.367 1.00 0.00 N ATOM 126 CA SER A 10 10.118 0.617 9.355 1.00 0.00 C ATOM 127 C SER A 10 9.545 -0.704 8.923 1.00 0.00 C ATOM 128 O SER A 10 8.805 -1.363 9.654 1.00 0.00 O ATOM 129 CB SER A 10 9.702 0.967 10.802 1.00 0.00 C ATOM 130 OG SER A 10 10.254 2.216 11.196 1.00 0.00 O ATOM 0 H SER A 10 8.632 1.209 8.074 1.00 0.00 H new ATOM 0 HA SER A 10 11.206 0.657 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.615 1.005 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.039 0.184 11.482 1.00 0.00 H new ATOM 0 HG SER A 10 9.978 2.421 12.114 1.00 0.00 H new ATOM 136 N GLY A 11 9.887 -1.101 7.674 1.00 0.00 N ATOM 137 CA GLY A 11 9.409 -2.315 7.071 1.00 0.00 C ATOM 138 C GLY A 11 10.305 -2.610 5.915 1.00 0.00 C ATOM 139 O GLY A 11 11.521 -2.477 6.032 1.00 0.00 O ATOM 0 H GLY A 11 10.510 -0.564 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.424 -3.134 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.377 -2.201 6.740 1.00 0.00 H new ATOM 143 N CYS A 12 9.690 -3.046 4.782 1.00 0.00 N ATOM 144 CA CYS A 12 10.273 -3.469 3.517 1.00 0.00 C ATOM 145 C CYS A 12 10.363 -4.966 3.593 1.00 0.00 C ATOM 146 O CYS A 12 10.967 -5.479 4.535 1.00 0.00 O ATOM 147 CB CYS A 12 11.565 -2.746 2.999 1.00 0.00 C ATOM 148 SG CYS A 12 13.237 -3.324 3.499 1.00 0.00 S ATOM 0 H CYS A 12 8.673 -3.109 4.748 1.00 0.00 H new ATOM 0 HA CYS A 12 9.615 -3.135 2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.531 -2.772 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.487 -1.700 3.296 1.00 0.00 H new ATOM 0 HG CYS A 12 13.373 -3.197 4.786 1.00 0.00 H new ATOM 154 N HIS A 13 9.754 -5.721 2.634 1.00 0.00 N ATOM 155 CA HIS A 13 9.827 -7.177 2.792 1.00 0.00 C ATOM 156 C HIS A 13 9.420 -7.908 1.557 1.00 0.00 C ATOM 157 O HIS A 13 9.561 -9.129 1.484 1.00 0.00 O ATOM 158 CB HIS A 13 8.954 -7.741 3.954 1.00 0.00 C ATOM 159 CG HIS A 13 9.303 -9.137 4.416 1.00 0.00 C ATOM 160 ND1 HIS A 13 10.571 -9.421 4.899 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.517 -10.248 4.471 1.00 0.00 C ATOM 162 CE1 HIS A 13 10.525 -10.697 5.228 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.308 -11.247 4.991 1.00 0.00 N ATOM 0 H HIS A 13 9.252 -5.373 1.817 1.00 0.00 H new ATOM 0 HA HIS A 13 10.880 -7.345 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.034 -7.065 4.806 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.911 -7.733 3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.483 -10.329 4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.361 -11.242 5.640 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.032 -12.214 5.165 1.00 0.00 H new ATOM 171 N TYR A 14 8.890 -7.177 0.556 1.00 0.00 N ATOM 172 CA TYR A 14 8.416 -7.722 -0.682 1.00 0.00 C ATOM 173 C TYR A 14 9.352 -7.052 -1.637 1.00 0.00 C ATOM 174 O TYR A 14 10.549 -7.337 -1.577 1.00 0.00 O ATOM 175 CB TYR A 14 6.871 -7.558 -0.817 1.00 0.00 C ATOM 176 CG TYR A 14 6.178 -8.398 0.269 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.539 -9.741 0.523 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.170 -7.860 1.081 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.056 -10.448 1.626 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.665 -8.564 2.180 1.00 0.00 C ATOM 181 CZ TYR A 14 5.126 -9.848 2.474 1.00 0.00 C ATOM 182 OH TYR A 14 4.628 -10.549 3.594 1.00 0.00 O ATOM 0 H TYR A 14 8.788 -6.164 0.612 1.00 0.00 H new ATOM 0 HA TYR A 14 8.455 -8.799 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.594 -6.509 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.544 -7.879 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.212 -10.238 -0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.775 -6.881 0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.400 -11.453 1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.912 -8.109 2.806 1.00 0.00 H new ATOM 0 HH TYR A 14 3.990 -9.983 4.077 1.00 0.00 H new ATOM 192 N GLY A 15 8.890 -6.144 -2.514 1.00 0.00 N ATOM 193 CA GLY A 15 9.766 -5.522 -3.487 1.00 0.00 C ATOM 194 C GLY A 15 10.174 -4.107 -3.186 1.00 0.00 C ATOM 195 O GLY A 15 10.983 -3.567 -3.943 1.00 0.00 O ATOM 0 H GLY A 15 7.919 -5.835 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.667 -6.129 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.271 -5.539 -4.458 1.00 0.00 H new ATOM 199 N VAL A 16 9.661 -3.454 -2.101 1.00 0.00 N ATOM 200 CA VAL A 16 9.854 -2.010 -1.958 1.00 0.00 C ATOM 201 C VAL A 16 10.049 -1.670 -0.516 1.00 0.00 C ATOM 202 O VAL A 16 9.585 -2.379 0.374 1.00 0.00 O ATOM 203 CB VAL A 16 8.639 -1.191 -2.507 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.741 0.340 -2.545 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.235 -1.631 -3.914 1.00 0.00 C ATOM 0 H VAL A 16 9.134 -3.898 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 16 10.734 -1.743 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 16 7.897 -1.430 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.819 0.756 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.897 0.719 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.580 0.633 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.388 -1.034 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.074 -1.489 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.954 -2.684 -3.899 1.00 0.00 H new ATOM 215 N LEU A 17 10.649 -0.466 -0.314 1.00 0.00 N ATOM 216 CA LEU A 17 10.903 0.222 0.939 1.00 0.00 C ATOM 217 C LEU A 17 9.562 0.758 1.381 1.00 0.00 C ATOM 218 O LEU A 17 9.132 1.811 0.915 1.00 0.00 O ATOM 219 CB LEU A 17 11.955 1.355 0.835 1.00 0.00 C ATOM 220 CG LEU A 17 12.297 2.098 2.157 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.866 1.170 3.247 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.226 3.299 1.902 1.00 0.00 C ATOM 0 H LEU A 17 10.989 0.079 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 17 11.337 -0.470 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.875 0.932 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.598 2.089 0.112 1.00 0.00 H new ATOM 0 HG LEU A 17 11.351 2.475 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.083 1.752 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.135 0.397 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.783 0.704 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.445 3.796 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.155 2.951 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.736 4.001 1.228 1.00 0.00 H new ATOM 234 N THR A 18 8.873 0.014 2.271 1.00 0.00 N ATOM 235 CA THR A 18 7.536 0.325 2.714 1.00 0.00 C ATOM 236 C THR A 18 7.573 0.481 4.184 1.00 0.00 C ATOM 237 O THR A 18 8.586 0.224 4.830 1.00 0.00 O ATOM 238 CB THR A 18 6.543 -0.850 2.416 1.00 0.00 C ATOM 239 OG1 THR A 18 7.088 -2.128 2.744 1.00 0.00 O ATOM 240 CG2 THR A 18 6.099 -0.870 0.962 1.00 0.00 C ATOM 0 H THR A 18 9.254 -0.830 2.698 1.00 0.00 H new ATOM 0 HA THR A 18 7.203 1.224 2.195 1.00 0.00 H new ATOM 0 HB THR A 18 5.681 -0.661 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.430 -2.826 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.412 -1.701 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.597 0.067 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.970 -0.990 0.317 1.00 0.00 H new ATOM 248 N CYS A 19 6.394 0.871 4.741 1.00 0.00 N ATOM 249 CA CYS A 19 6.227 1.039 6.173 1.00 0.00 C ATOM 250 C CYS A 19 5.959 -0.333 6.760 1.00 0.00 C ATOM 251 O CYS A 19 6.040 -1.349 6.068 1.00 0.00 O ATOM 252 CB CYS A 19 5.235 2.125 6.703 1.00 0.00 C ATOM 253 SG CYS A 19 3.459 1.995 6.289 1.00 0.00 S ATOM 0 H CYS A 19 5.554 1.071 4.199 1.00 0.00 H new ATOM 0 HA CYS A 19 7.162 1.477 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.317 2.141 7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.585 3.092 6.342 1.00 0.00 H new ATOM 0 HG CYS A 19 3.074 3.080 5.685 1.00 0.00 H new ATOM 258 N GLY A 20 5.608 -0.384 8.065 1.00 0.00 N ATOM 259 CA GLY A 20 5.305 -1.610 8.775 1.00 0.00 C ATOM 260 C GLY A 20 3.974 -2.154 8.329 1.00 0.00 C ATOM 261 O GLY A 20 3.842 -3.345 8.063 1.00 0.00 O ATOM 0 H GLY A 20 5.531 0.449 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.087 -2.347 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.288 -1.422 9.849 1.00 0.00 H new ATOM 265 N SER A 21 2.983 -1.241 8.175 1.00 0.00 N ATOM 266 CA SER A 21 1.609 -1.524 7.807 1.00 0.00 C ATOM 267 C SER A 21 1.419 -1.904 6.355 1.00 0.00 C ATOM 268 O SER A 21 0.620 -2.794 6.083 1.00 0.00 O ATOM 269 CB SER A 21 0.663 -0.349 8.126 1.00 0.00 C ATOM 270 OG SER A 21 0.729 -0.013 9.505 1.00 0.00 O ATOM 0 H SER A 21 3.148 -0.244 8.315 1.00 0.00 H new ATOM 0 HA SER A 21 1.354 -2.389 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.934 0.517 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.360 -0.616 7.860 1.00 0.00 H new ATOM 0 HG SER A 21 0.124 0.735 9.689 1.00 0.00 H new ATOM 276 N CYS A 22 2.151 -1.255 5.393 1.00 0.00 N ATOM 277 CA CYS A 22 2.018 -1.435 3.943 1.00 0.00 C ATOM 278 C CYS A 22 2.465 -2.789 3.481 1.00 0.00 C ATOM 279 O CYS A 22 2.034 -3.274 2.436 1.00 0.00 O ATOM 280 CB CYS A 22 2.654 -0.341 3.064 1.00 0.00 C ATOM 281 SG CYS A 22 1.626 1.164 3.095 1.00 0.00 S ATOM 0 H CYS A 22 2.869 -0.573 5.635 1.00 0.00 H new ATOM 0 HA CYS A 22 0.942 -1.340 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.657 -0.113 3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.756 -0.700 2.040 1.00 0.00 H new ATOM 0 HG CYS A 22 2.391 2.213 3.042 1.00 0.00 H new ATOM 286 N LYS A 23 3.298 -3.445 4.319 1.00 0.00 N ATOM 287 CA LYS A 23 3.813 -4.779 4.149 1.00 0.00 C ATOM 288 C LYS A 23 2.669 -5.769 4.267 1.00 0.00 C ATOM 289 O LYS A 23 2.329 -6.483 3.328 1.00 0.00 O ATOM 290 CB LYS A 23 4.927 -5.094 5.174 1.00 0.00 C ATOM 291 CG LYS A 23 5.699 -6.404 4.920 1.00 0.00 C ATOM 292 CD LYS A 23 6.477 -6.923 6.147 1.00 0.00 C ATOM 293 CE LYS A 23 5.600 -7.392 7.326 1.00 0.00 C ATOM 294 NZ LYS A 23 4.741 -8.516 6.951 1.00 0.00 N ATOM 0 H LYS A 23 3.636 -3.011 5.178 1.00 0.00 H new ATOM 0 HA LYS A 23 4.263 -4.860 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.637 -4.267 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.482 -5.140 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.995 -7.172 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.398 -6.248 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.110 -7.753 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.140 -6.132 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.238 -7.685 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.983 -6.563 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.242 -8.868 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.046 -8.201 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.323 -9.279 6.549 1.00 0.00 H new ATOM 308 N VAL A 24 2.027 -5.745 5.457 1.00 0.00 N ATOM 309 CA VAL A 24 0.932 -6.575 5.935 1.00 0.00 C ATOM 310 C VAL A 24 -0.325 -6.391 5.129 1.00 0.00 C ATOM 311 O VAL A 24 -1.061 -7.340 4.867 1.00 0.00 O ATOM 312 CB VAL A 24 0.623 -6.284 7.439 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.404 -7.245 8.075 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.901 -6.221 8.301 1.00 0.00 C ATOM 0 H VAL A 24 2.303 -5.069 6.169 1.00 0.00 H new ATOM 0 HA VAL A 24 1.262 -7.608 5.820 1.00 0.00 H new ATOM 0 HB VAL A 24 0.160 -5.297 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.560 -6.972 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.349 -7.175 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.029 -8.267 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.631 -6.016 9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.426 -7.175 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.550 -5.427 7.932 1.00 0.00 H new ATOM 324 N PHE A 25 -0.549 -5.127 4.716 1.00 0.00 N ATOM 325 CA PHE A 25 -1.616 -4.590 3.905 1.00 0.00 C ATOM 326 C PHE A 25 -1.647 -5.282 2.576 1.00 0.00 C ATOM 327 O PHE A 25 -2.665 -5.833 2.178 1.00 0.00 O ATOM 328 CB PHE A 25 -1.342 -3.081 3.700 1.00 0.00 C ATOM 329 CG PHE A 25 -2.255 -2.374 2.735 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.656 -2.360 2.860 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.663 -1.859 1.572 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.448 -1.882 1.807 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.450 -1.404 0.521 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.843 -1.422 0.628 1.00 0.00 C ATOM 0 H PHE A 25 0.100 -4.387 4.984 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.577 -4.742 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.412 -2.584 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.315 -2.961 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.121 -2.717 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.587 -1.816 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.524 -1.868 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.984 -1.036 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.453 -1.082 -0.196 1.00 0.00 H new ATOM 344 N PHE A 26 -0.468 -5.254 1.914 1.00 0.00 N ATOM 345 CA PHE A 26 -0.158 -5.802 0.611 1.00 0.00 C ATOM 346 C PHE A 26 -0.309 -7.303 0.589 1.00 0.00 C ATOM 347 O PHE A 26 -0.897 -7.867 -0.321 1.00 0.00 O ATOM 348 CB PHE A 26 1.252 -5.365 0.142 1.00 0.00 C ATOM 349 CG PHE A 26 1.648 -5.891 -1.221 1.00 0.00 C ATOM 350 CD1 PHE A 26 1.058 -5.414 -2.402 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.624 -6.892 -1.317 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.481 -5.882 -3.653 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.054 -7.356 -2.560 1.00 0.00 C ATOM 354 CZ PHE A 26 2.479 -6.863 -3.734 1.00 0.00 C ATOM 0 H PHE A 26 0.348 -4.805 2.329 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.881 -5.397 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.294 -4.276 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.986 -5.701 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.269 -4.678 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.049 -7.310 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.038 -5.487 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.835 -8.100 -2.615 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.801 -7.235 -4.696 1.00 0.00 H new ATOM 364 N LYS A 27 0.194 -7.972 1.638 1.00 0.00 N ATOM 365 CA LYS A 27 0.196 -9.399 1.867 1.00 0.00 C ATOM 366 C LYS A 27 -1.217 -9.937 2.044 1.00 0.00 C ATOM 367 O LYS A 27 -1.491 -11.085 1.698 1.00 0.00 O ATOM 368 CB LYS A 27 1.206 -9.731 2.999 1.00 0.00 C ATOM 369 CG LYS A 27 1.270 -11.180 3.513 1.00 0.00 C ATOM 370 CD LYS A 27 1.674 -12.217 2.453 1.00 0.00 C ATOM 371 CE LYS A 27 0.767 -13.455 2.437 1.00 0.00 C ATOM 372 NZ LYS A 27 0.935 -14.269 3.640 1.00 0.00 N ATOM 0 H LYS A 27 0.645 -7.473 2.405 1.00 0.00 H new ATOM 0 HA LYS A 27 0.553 -9.936 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.201 -9.458 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.979 -9.086 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.980 -11.228 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.294 -11.452 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.653 -11.748 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.702 -12.531 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.274 -13.142 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.991 -14.058 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.305 -15.095 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.922 -14.589 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.697 -13.702 4.479 1.00 0.00 H new ATOM 386 N ARG A 28 -2.157 -9.082 2.533 1.00 0.00 N ATOM 387 CA ARG A 28 -3.568 -9.393 2.682 1.00 0.00 C ATOM 388 C ARG A 28 -4.298 -9.063 1.410 1.00 0.00 C ATOM 389 O ARG A 28 -5.199 -9.782 1.001 1.00 0.00 O ATOM 390 CB ARG A 28 -4.235 -8.644 3.862 1.00 0.00 C ATOM 391 CG ARG A 28 -4.551 -9.564 5.053 1.00 0.00 C ATOM 392 CD ARG A 28 -3.299 -10.169 5.722 1.00 0.00 C ATOM 393 NE ARG A 28 -3.696 -11.052 6.882 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.158 -10.554 8.074 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.894 -9.275 8.472 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.893 -11.368 8.889 1.00 0.00 N ATOM 0 H ARG A 28 -1.926 -8.136 2.837 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.632 -10.459 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.577 -7.841 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.157 -8.178 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.112 -8.999 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.197 -10.374 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.733 -10.749 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.644 -9.371 6.072 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.617 -12.063 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.339 -8.660 7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.252 -8.934 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.090 -12.328 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.245 -11.015 9.779 1.00 0.00 H new ATOM 410 N ALA A 29 -3.874 -7.972 0.744 1.00 0.00 N ATOM 411 CA ALA A 29 -4.426 -7.396 -0.470 1.00 0.00 C ATOM 412 C ALA A 29 -4.182 -8.236 -1.698 1.00 0.00 C ATOM 413 O ALA A 29 -4.823 -8.042 -2.730 1.00 0.00 O ATOM 414 CB ALA A 29 -3.830 -6.007 -0.742 1.00 0.00 C ATOM 0 H ALA A 29 -3.072 -7.437 1.078 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.500 -7.339 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.261 -5.599 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.057 -5.344 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.749 -6.091 -0.856 1.00 0.00 H new ATOM 420 N VAL A 30 -3.226 -9.186 -1.589 1.00 0.00 N ATOM 421 CA VAL A 30 -2.789 -10.063 -2.641 1.00 0.00 C ATOM 422 C VAL A 30 -3.308 -11.441 -2.322 1.00 0.00 C ATOM 423 O VAL A 30 -4.271 -11.909 -2.929 1.00 0.00 O ATOM 424 CB VAL A 30 -1.238 -10.043 -2.819 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.761 -11.039 -3.890 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.671 -8.643 -3.132 1.00 0.00 C ATOM 0 H VAL A 30 -2.729 -9.351 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.187 -9.726 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.848 -10.349 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.324 -10.988 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.055 -12.049 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.214 -10.787 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.412 -8.705 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.110 -8.272 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.914 -7.962 -2.317 1.00 0.00 H new ATOM 436 N GLU A 31 -2.642 -12.116 -1.355 1.00 0.00 N ATOM 437 CA GLU A 31 -2.909 -13.480 -0.939 1.00 0.00 C ATOM 438 C GLU A 31 -3.730 -13.459 0.319 1.00 0.00 C ATOM 439 O GLU A 31 -3.363 -14.022 1.350 1.00 0.00 O ATOM 440 CB GLU A 31 -1.628 -14.328 -0.733 1.00 0.00 C ATOM 441 CG GLU A 31 -0.792 -14.489 -2.022 1.00 0.00 C ATOM 442 CD GLU A 31 0.334 -15.512 -1.836 1.00 0.00 C ATOM 443 OE1 GLU A 31 1.229 -15.272 -0.982 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.314 -16.548 -2.554 1.00 0.00 O ATOM 0 H GLU A 31 -1.875 -11.692 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.458 -13.962 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.012 -13.863 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.908 -15.314 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.440 -14.804 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.367 -13.526 -2.304 1.00 0.00 H new ATOM 451 N GLY A 32 -4.907 -12.812 0.216 1.00 0.00 N ATOM 452 CA GLY A 32 -5.851 -12.743 1.310 1.00 0.00 C ATOM 453 C GLY A 32 -7.173 -12.310 0.770 1.00 0.00 C ATOM 454 O GLY A 32 -7.567 -12.718 -0.322 1.00 0.00 O ATOM 0 H GLY A 32 -5.214 -12.330 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.940 -13.715 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.503 -12.040 2.067 1.00 0.00 H new ATOM 458 N GLN A 33 -7.890 -11.458 1.551 1.00 0.00 N ATOM 459 CA GLN A 33 -9.186 -10.910 1.209 1.00 0.00 C ATOM 460 C GLN A 33 -8.945 -9.436 1.036 1.00 0.00 C ATOM 461 O GLN A 33 -8.136 -8.847 1.755 1.00 0.00 O ATOM 462 CB GLN A 33 -10.299 -11.293 2.231 1.00 0.00 C ATOM 463 CG GLN A 33 -10.676 -10.318 3.385 1.00 0.00 C ATOM 464 CD GLN A 33 -11.593 -9.164 2.929 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.261 -7.987 3.114 1.00 0.00 O ATOM 466 NE2 GLN A 33 -12.756 -9.525 2.307 1.00 0.00 N ATOM 0 H GLN A 33 -7.552 -11.138 2.459 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.590 -11.332 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.208 -11.485 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.005 -12.237 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.173 -10.878 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.764 -9.902 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.981 -10.512 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.398 -8.808 1.970 1.00 0.00 H new ATOM 475 N HIS A 34 -9.644 -8.817 0.053 1.00 0.00 N ATOM 476 CA HIS A 34 -9.460 -7.427 -0.306 1.00 0.00 C ATOM 477 C HIS A 34 -10.829 -6.825 -0.481 1.00 0.00 C ATOM 478 O HIS A 34 -11.702 -7.443 -1.087 1.00 0.00 O ATOM 479 CB HIS A 34 -8.637 -7.242 -1.612 1.00 0.00 C ATOM 480 CG HIS A 34 -8.105 -8.527 -2.194 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.463 -8.941 -3.466 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.261 -9.430 -1.625 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.829 -10.085 -3.637 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.087 -10.428 -2.552 1.00 0.00 N ATOM 0 H HIS A 34 -10.353 -9.291 -0.506 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.894 -6.934 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.264 -6.751 -2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.800 -6.574 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.817 -9.373 -0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.892 -10.680 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.512 -11.264 -2.446 1.00 0.00 H new ATOM 492 N ASN A 35 -11.029 -5.586 0.041 1.00 0.00 N ATOM 493 CA ASN A 35 -12.264 -4.837 -0.100 1.00 0.00 C ATOM 494 C ASN A 35 -11.862 -3.390 -0.073 1.00 0.00 C ATOM 495 O ASN A 35 -12.059 -2.687 0.920 1.00 0.00 O ATOM 496 CB ASN A 35 -13.349 -5.074 0.998 1.00 0.00 C ATOM 497 CG ASN A 35 -14.211 -6.334 0.782 1.00 0.00 C ATOM 498 OD1 ASN A 35 -14.373 -7.134 1.710 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.806 -6.474 -0.441 1.00 0.00 N ATOM 0 H ASN A 35 -10.315 -5.090 0.575 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.741 -5.170 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.857 -5.148 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.004 -4.203 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.418 -7.269 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.637 -5.783 -1.172 1.00 0.00 H new ATOM 506 N TYR A 36 -11.290 -2.908 -1.203 1.00 0.00 N ATOM 507 CA TYR A 36 -10.884 -1.543 -1.398 1.00 0.00 C ATOM 508 C TYR A 36 -11.293 -1.263 -2.820 1.00 0.00 C ATOM 509 O TYR A 36 -10.855 -1.953 -3.741 1.00 0.00 O ATOM 510 CB TYR A 36 -9.374 -1.264 -1.165 1.00 0.00 C ATOM 511 CG TYR A 36 -8.620 -2.352 -0.429 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.755 -2.520 0.963 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.721 -3.184 -1.121 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.045 -3.521 1.637 1.00 0.00 C ATOM 515 CE2 TYR A 36 -6.995 -4.171 -0.447 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.164 -4.352 0.932 1.00 0.00 C ATOM 517 OH TYR A 36 -6.444 -5.363 1.608 1.00 0.00 O ATOM 0 H TYR A 36 -11.104 -3.498 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.352 -0.890 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.897 -1.105 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.276 -0.334 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.414 -1.869 1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.590 -3.059 -2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.176 -3.653 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.302 -4.796 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.675 -6.237 1.230 1.00 0.00 H new ATOM 597 N ASN A 42 -9.831 6.437 -8.876 1.00 0.00 N ATOM 598 CA ASN A 42 -8.387 6.517 -8.757 1.00 0.00 C ATOM 599 C ASN A 42 -8.060 7.996 -8.851 1.00 0.00 C ATOM 600 O ASN A 42 -7.414 8.462 -9.789 1.00 0.00 O ATOM 601 CB ASN A 42 -7.598 5.585 -9.728 1.00 0.00 C ATOM 602 CG ASN A 42 -6.076 5.559 -9.474 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.293 6.226 -10.159 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.686 4.746 -8.450 1.00 0.00 N ATOM 0 HA ASN A 42 -8.046 6.116 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.988 4.571 -9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.780 5.908 -10.753 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.697 4.663 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.383 4.221 -7.922 1.00 0.00 H new ATOM 611 N ASP A 43 -8.593 8.751 -7.864 1.00 0.00 N ATOM 612 CA ASP A 43 -8.460 10.186 -7.756 1.00 0.00 C ATOM 613 C ASP A 43 -7.532 10.562 -6.648 1.00 0.00 C ATOM 614 O ASP A 43 -6.591 11.325 -6.868 1.00 0.00 O ATOM 615 CB ASP A 43 -9.798 10.949 -7.478 1.00 0.00 C ATOM 616 CG ASP A 43 -10.989 10.161 -6.894 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.816 9.425 -5.891 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.107 10.322 -7.455 1.00 0.00 O ATOM 0 H ASP A 43 -9.142 8.346 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.083 10.480 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.576 11.768 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.125 11.396 -8.417 1.00 0.00 H new ATOM 623 N CYS A 44 -7.798 10.049 -5.422 1.00 0.00 N ATOM 624 CA CYS A 44 -7.137 10.388 -4.198 1.00 0.00 C ATOM 625 C CYS A 44 -5.645 10.112 -4.204 1.00 0.00 C ATOM 626 O CYS A 44 -5.175 9.159 -4.824 1.00 0.00 O ATOM 627 CB CYS A 44 -7.784 9.697 -2.942 1.00 0.00 C ATOM 628 SG CYS A 44 -9.095 8.451 -3.242 1.00 0.00 S ATOM 0 H CYS A 44 -8.527 9.349 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.276 11.466 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.987 9.216 -2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.201 10.478 -2.306 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.722 7.303 -2.759 1.00 0.00 H new ATOM 633 N ILE A 45 -4.877 10.971 -3.484 1.00 0.00 N ATOM 634 CA ILE A 45 -3.445 10.845 -3.284 1.00 0.00 C ATOM 635 C ILE A 45 -3.384 10.126 -1.976 1.00 0.00 C ATOM 636 O ILE A 45 -4.082 10.503 -1.040 1.00 0.00 O ATOM 637 CB ILE A 45 -2.682 12.204 -3.171 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.836 13.053 -4.459 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.191 12.073 -2.749 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.261 12.416 -5.734 1.00 0.00 C ATOM 0 H ILE A 45 -5.269 11.790 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.968 10.349 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.165 12.733 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.895 13.254 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.349 14.015 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.740 13.064 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.130 11.593 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.657 11.470 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.418 13.087 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.193 12.241 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.763 11.468 -5.925 1.00 0.00 H new ATOM 652 N ILE A 46 -2.541 9.074 -1.899 1.00 0.00 N ATOM 653 CA ILE A 46 -2.378 8.275 -0.715 1.00 0.00 C ATOM 654 C ILE A 46 -1.081 8.702 -0.121 1.00 0.00 C ATOM 655 O ILE A 46 -0.024 8.657 -0.750 1.00 0.00 O ATOM 656 CB ILE A 46 -2.506 6.745 -1.010 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.845 6.171 -0.491 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.344 5.817 -0.589 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.086 7.001 -0.815 1.00 0.00 C ATOM 0 H ILE A 46 -1.958 8.771 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.176 8.436 0.010 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.462 6.735 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.978 5.173 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.777 6.058 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.583 4.789 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.430 6.124 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.198 5.883 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.969 6.510 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.986 7.993 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.190 7.093 -1.896 1.00 0.00 H new ATOM 671 N ASP A 47 -1.186 9.140 1.145 1.00 0.00 N ATOM 672 CA ASP A 47 -0.071 9.511 1.949 1.00 0.00 C ATOM 673 C ASP A 47 -0.510 9.159 3.348 1.00 0.00 C ATOM 674 O ASP A 47 -1.532 8.500 3.537 1.00 0.00 O ATOM 675 CB ASP A 47 0.548 10.914 1.696 1.00 0.00 C ATOM 676 CG ASP A 47 -0.382 12.112 1.922 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.806 12.336 3.085 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.660 12.832 0.925 1.00 0.00 O ATOM 0 H ASP A 47 -2.081 9.238 1.624 1.00 0.00 H new ATOM 0 HA ASP A 47 0.833 8.964 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.417 11.027 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.910 10.949 0.668 1.00 0.00 H new ATOM 683 N LYS A 48 0.263 9.612 4.363 1.00 0.00 N ATOM 684 CA LYS A 48 0.154 9.270 5.769 1.00 0.00 C ATOM 685 C LYS A 48 -1.024 9.877 6.503 1.00 0.00 C ATOM 686 O LYS A 48 -1.154 9.741 7.720 1.00 0.00 O ATOM 687 CB LYS A 48 1.493 9.572 6.471 1.00 0.00 C ATOM 688 CG LYS A 48 1.792 11.053 6.758 1.00 0.00 C ATOM 689 CD LYS A 48 3.256 11.375 7.104 1.00 0.00 C ATOM 690 CE LYS A 48 3.420 12.809 7.639 1.00 0.00 C ATOM 691 NZ LYS A 48 4.822 13.127 7.901 1.00 0.00 N ATOM 0 H LYS A 48 1.025 10.269 4.192 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.059 8.202 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.514 9.029 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.300 9.173 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.505 11.640 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.161 11.380 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.617 10.666 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.875 11.246 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.015 13.517 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.842 12.924 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.896 14.100 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.201 12.467 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.368 13.041 7.020 1.00 0.00 H new ATOM 705 N ILE A 49 -1.902 10.551 5.738 1.00 0.00 N ATOM 706 CA ILE A 49 -3.093 11.232 6.177 1.00 0.00 C ATOM 707 C ILE A 49 -4.266 10.620 5.455 1.00 0.00 C ATOM 708 O ILE A 49 -5.278 10.276 6.065 1.00 0.00 O ATOM 709 CB ILE A 49 -2.978 12.767 5.907 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.920 13.446 6.814 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.319 13.532 5.910 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.223 13.397 8.321 1.00 0.00 C ATOM 0 H ILE A 49 -1.772 10.628 4.729 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.230 11.116 7.252 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.626 12.833 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.955 12.971 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.822 14.489 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.136 14.588 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.971 13.127 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.799 13.421 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.425 13.898 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.170 13.900 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.289 12.358 8.645 1.00 0.00 H new ATOM 724 N ARG A 50 -4.133 10.502 4.116 1.00 0.00 N ATOM 725 CA ARG A 50 -5.160 10.062 3.186 1.00 0.00 C ATOM 726 C ARG A 50 -5.320 8.563 3.115 1.00 0.00 C ATOM 727 O ARG A 50 -6.145 8.059 2.356 1.00 0.00 O ATOM 728 CB ARG A 50 -4.923 10.597 1.758 1.00 0.00 C ATOM 729 CG ARG A 50 -5.160 12.114 1.596 1.00 0.00 C ATOM 730 CD ARG A 50 -3.937 12.979 1.931 1.00 0.00 C ATOM 731 NE ARG A 50 -4.342 14.428 1.901 1.00 0.00 N ATOM 732 CZ ARG A 50 -3.516 15.425 2.357 1.00 0.00 C ATOM 733 NH1 ARG A 50 -2.489 15.179 3.223 1.00 0.00 N ATOM 734 NH2 ARG A 50 -3.743 16.707 1.943 1.00 0.00 N ATOM 0 H ARG A 50 -3.257 10.726 3.645 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.080 10.482 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.899 10.368 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.579 10.064 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.464 12.316 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.989 12.412 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.548 12.717 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.138 12.796 1.213 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.259 14.677 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.316 14.229 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.895 15.945 3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.515 16.908 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.141 17.463 2.270 1.00 0.00 H new ATOM 748 N ARG A 51 -4.581 7.818 3.972 1.00 0.00 N ATOM 749 CA ARG A 51 -4.627 6.363 4.067 1.00 0.00 C ATOM 750 C ARG A 51 -5.936 5.889 4.682 1.00 0.00 C ATOM 751 O ARG A 51 -6.388 4.771 4.441 1.00 0.00 O ATOM 752 CB ARG A 51 -3.404 5.715 4.768 1.00 0.00 C ATOM 753 CG ARG A 51 -3.352 5.688 6.314 1.00 0.00 C ATOM 754 CD ARG A 51 -3.383 7.066 6.989 1.00 0.00 C ATOM 755 NE ARG A 51 -3.393 6.867 8.483 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.629 7.896 9.358 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.273 9.038 8.978 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.222 7.765 10.656 1.00 0.00 N ATOM 0 H ARG A 51 -3.922 8.237 4.629 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.575 6.013 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.332 4.685 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.511 6.233 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.195 5.102 6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.444 5.169 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.514 7.653 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.267 7.622 6.675 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.218 5.934 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.596 9.146 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.432 9.784 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.751 6.912 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.389 8.520 11.321 1.00 0.00 H new ATOM 772 N LYS A 52 -6.554 6.787 5.497 1.00 0.00 N ATOM 773 CA LYS A 52 -7.777 6.643 6.235 1.00 0.00 C ATOM 774 C LYS A 52 -8.957 6.966 5.352 1.00 0.00 C ATOM 775 O LYS A 52 -10.084 6.556 5.626 1.00 0.00 O ATOM 776 CB LYS A 52 -7.726 7.612 7.442 1.00 0.00 C ATOM 777 CG LYS A 52 -8.944 7.648 8.389 1.00 0.00 C ATOM 778 CD LYS A 52 -9.353 6.310 9.039 1.00 0.00 C ATOM 779 CE LYS A 52 -8.343 5.720 10.042 1.00 0.00 C ATOM 780 NZ LYS A 52 -7.191 5.106 9.382 1.00 0.00 N ATOM 0 H LYS A 52 -6.144 7.709 5.648 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.889 5.617 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.847 7.361 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.572 8.620 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.736 8.364 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.798 8.031 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.305 6.451 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.521 5.579 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.997 6.508 10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.843 4.975 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.882 4.275 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.458 4.811 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.413 5.794 9.330 1.00 0.00 H new ATOM 794 N ASN A 53 -8.696 7.711 4.251 1.00 0.00 N ATOM 795 CA ASN A 53 -9.668 8.163 3.277 1.00 0.00 C ATOM 796 C ASN A 53 -9.907 7.073 2.270 1.00 0.00 C ATOM 797 O ASN A 53 -11.019 6.924 1.764 1.00 0.00 O ATOM 798 CB ASN A 53 -9.252 9.440 2.482 1.00 0.00 C ATOM 799 CG ASN A 53 -9.064 10.665 3.402 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.201 10.602 4.628 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.742 11.828 2.757 1.00 0.00 N ATOM 0 H ASN A 53 -7.750 8.018 4.024 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.557 8.413 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.324 9.245 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.012 9.663 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.606 12.686 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.638 11.837 1.742 1.00 0.00 H new ATOM 808 N CYS A 54 -8.846 6.287 1.956 1.00 0.00 N ATOM 809 CA CYS A 54 -8.905 5.272 0.936 1.00 0.00 C ATOM 810 C CYS A 54 -7.727 4.337 1.182 1.00 0.00 C ATOM 811 O CYS A 54 -6.587 4.800 1.161 1.00 0.00 O ATOM 812 CB CYS A 54 -8.842 5.960 -0.459 1.00 0.00 C ATOM 813 SG CYS A 54 -8.758 4.928 -1.948 1.00 0.00 S ATOM 0 H CYS A 54 -7.939 6.358 2.416 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.829 4.695 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.721 6.598 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.971 6.615 -0.463 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.934 5.462 -2.800 1.00 0.00 H new ATOM 818 N PRO A 55 -7.965 3.013 1.361 1.00 0.00 N ATOM 819 CA PRO A 55 -6.924 1.989 1.379 1.00 0.00 C ATOM 820 C PRO A 55 -6.937 1.213 0.063 1.00 0.00 C ATOM 821 O PRO A 55 -6.642 0.020 0.079 1.00 0.00 O ATOM 822 CB PRO A 55 -7.357 1.122 2.555 1.00 0.00 C ATOM 823 CG PRO A 55 -8.889 1.112 2.456 1.00 0.00 C ATOM 824 CD PRO A 55 -9.230 2.503 1.902 1.00 0.00 C ATOM 0 HA PRO A 55 -5.908 2.369 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.945 0.116 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.020 1.538 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.242 0.321 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.352 0.944 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.995 2.444 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.617 3.156 2.684 1.00 0.00 H new ATOM 832 N ALA A 56 -7.278 1.826 -1.103 1.00 0.00 N ATOM 833 CA ALA A 56 -7.471 1.173 -2.378 1.00 0.00 C ATOM 834 C ALA A 56 -6.393 1.655 -3.294 1.00 0.00 C ATOM 835 O ALA A 56 -5.730 0.850 -3.945 1.00 0.00 O ATOM 836 CB ALA A 56 -8.845 1.449 -2.994 1.00 0.00 C ATOM 0 H ALA A 56 -7.427 2.834 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.423 0.095 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.926 0.930 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.624 1.092 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.964 2.521 -3.152 1.00 0.00 H new ATOM 842 N CYS A 57 -6.159 3.001 -3.318 1.00 0.00 N ATOM 843 CA CYS A 57 -5.096 3.692 -4.009 1.00 0.00 C ATOM 844 C CYS A 57 -3.743 3.224 -3.573 1.00 0.00 C ATOM 845 O CYS A 57 -2.845 3.128 -4.393 1.00 0.00 O ATOM 846 CB CYS A 57 -5.143 5.221 -3.829 1.00 0.00 C ATOM 847 SG CYS A 57 -6.472 6.059 -4.753 1.00 0.00 S ATOM 0 H CYS A 57 -6.764 3.649 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.259 3.453 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.260 5.444 -2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.185 5.639 -4.139 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.172 7.315 -4.901 1.00 0.00 H new ATOM 852 N ARG A 58 -3.624 2.878 -2.271 1.00 0.00 N ATOM 853 CA ARG A 58 -2.484 2.311 -1.587 1.00 0.00 C ATOM 854 C ARG A 58 -2.007 1.031 -2.214 1.00 0.00 C ATOM 855 O ARG A 58 -0.807 0.776 -2.254 1.00 0.00 O ATOM 856 CB ARG A 58 -2.767 1.928 -0.110 1.00 0.00 C ATOM 857 CG ARG A 58 -3.013 3.113 0.838 1.00 0.00 C ATOM 858 CD ARG A 58 -2.120 3.132 2.093 1.00 0.00 C ATOM 859 NE ARG A 58 -2.468 1.944 2.949 1.00 0.00 N ATOM 860 CZ ARG A 58 -1.978 1.772 4.218 1.00 0.00 C ATOM 861 NH1 ARG A 58 -1.505 2.815 4.960 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.960 0.515 4.756 1.00 0.00 N ATOM 0 H ARG A 58 -4.407 3.009 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.745 3.109 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.638 1.274 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.923 1.351 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.859 4.040 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.057 3.098 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.068 3.098 1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.270 4.057 2.650 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.096 1.236 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.509 3.759 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.148 2.651 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.308 -0.276 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.599 0.369 5.699 1.00 0.00 H new ATOM 876 N TYR A 59 -2.955 0.194 -2.719 1.00 0.00 N ATOM 877 CA TYR A 59 -2.661 -1.095 -3.319 1.00 0.00 C ATOM 878 C TYR A 59 -2.066 -0.863 -4.691 1.00 0.00 C ATOM 879 O TYR A 59 -1.099 -1.514 -5.078 1.00 0.00 O ATOM 880 CB TYR A 59 -3.930 -1.985 -3.396 1.00 0.00 C ATOM 881 CG TYR A 59 -3.690 -3.398 -3.917 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.588 -4.173 -3.494 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.583 -3.965 -4.847 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.376 -5.461 -4.001 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.380 -5.257 -5.346 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.274 -6.006 -4.926 1.00 0.00 C ATOM 887 OH TYR A 59 -3.062 -7.308 -5.434 1.00 0.00 O ATOM 0 H TYR A 59 -3.950 0.418 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.943 -1.630 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.372 -2.050 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.662 -1.495 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.899 -3.766 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.437 -3.394 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.519 -6.034 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.077 -5.677 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.778 -7.534 -6.064 1.00 0.00 H new ATOM 897 N ARG A 60 -2.607 0.151 -5.411 1.00 0.00 N ATOM 898 CA ARG A 60 -2.201 0.570 -6.734 1.00 0.00 C ATOM 899 C ARG A 60 -0.864 1.268 -6.714 1.00 0.00 C ATOM 900 O ARG A 60 -0.058 1.114 -7.627 1.00 0.00 O ATOM 901 CB ARG A 60 -3.276 1.441 -7.421 1.00 0.00 C ATOM 902 CG ARG A 60 -4.602 0.671 -7.592 1.00 0.00 C ATOM 903 CD ARG A 60 -5.754 1.490 -8.205 1.00 0.00 C ATOM 904 NE ARG A 60 -6.936 0.583 -8.455 1.00 0.00 N ATOM 905 CZ ARG A 60 -7.701 0.084 -7.430 1.00 0.00 C ATOM 906 NH1 ARG A 60 -7.859 0.764 -6.259 1.00 0.00 N ATOM 907 NH2 ARG A 60 -8.323 -1.121 -7.590 1.00 0.00 N ATOM 0 H ARG A 60 -3.376 0.714 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.090 -0.337 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.450 2.340 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.914 1.766 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.421 -0.200 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.918 0.300 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.038 2.299 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.431 1.951 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.173 0.334 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.403 1.667 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.433 0.370 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.216 -1.638 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.894 -1.504 -6.837 1.00 0.00 H new ATOM 921 N LYS A 61 -0.607 2.022 -5.617 1.00 0.00 N ATOM 922 CA LYS A 61 0.528 2.869 -5.358 1.00 0.00 C ATOM 923 C LYS A 61 1.770 2.075 -5.097 1.00 0.00 C ATOM 924 O LYS A 61 2.809 2.313 -5.707 1.00 0.00 O ATOM 925 CB LYS A 61 0.179 3.815 -4.194 1.00 0.00 C ATOM 926 CG LYS A 61 1.200 4.902 -3.835 1.00 0.00 C ATOM 927 CD LYS A 61 0.905 6.296 -4.422 1.00 0.00 C ATOM 928 CE LYS A 61 0.918 6.351 -5.957 1.00 0.00 C ATOM 929 NZ LYS A 61 0.633 7.703 -6.433 1.00 0.00 N ATOM 0 H LYS A 61 -1.263 2.037 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 61 0.747 3.465 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.765 4.305 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.009 3.207 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.252 4.986 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.184 4.582 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.070 6.628 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.641 7.002 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.891 6.028 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.178 5.657 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.647 7.715 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.305 7.999 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.354 8.358 -6.069 1.00 0.00 H new ATOM 943 N CYS A 62 1.647 1.067 -4.203 1.00 0.00 N ATOM 944 CA CYS A 62 2.690 0.149 -3.804 1.00 0.00 C ATOM 945 C CYS A 62 3.133 -0.733 -4.957 1.00 0.00 C ATOM 946 O CYS A 62 4.320 -1.012 -5.104 1.00 0.00 O ATOM 947 CB CYS A 62 2.351 -0.621 -2.499 1.00 0.00 C ATOM 948 SG CYS A 62 1.085 -1.930 -2.602 1.00 0.00 S ATOM 0 H CYS A 62 0.764 0.879 -3.727 1.00 0.00 H new ATOM 0 HA CYS A 62 3.564 0.745 -3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.271 -1.071 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.025 0.105 -1.754 1.00 0.00 H new ATOM 0 HG CYS A 62 1.655 -3.094 -2.498 1.00 0.00 H new ATOM 954 N LEU A 63 2.168 -1.115 -5.843 1.00 0.00 N ATOM 955 CA LEU A 63 2.365 -1.909 -7.044 1.00 0.00 C ATOM 956 C LEU A 63 3.157 -1.128 -8.066 1.00 0.00 C ATOM 957 O LEU A 63 4.051 -1.681 -8.706 1.00 0.00 O ATOM 958 CB LEU A 63 1.046 -2.405 -7.685 1.00 0.00 C ATOM 959 CG LEU A 63 0.413 -3.636 -6.990 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.041 -3.853 -7.452 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.252 -4.912 -7.198 1.00 0.00 C ATOM 0 H LEU A 63 1.191 -0.853 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 63 2.917 -2.795 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.324 -1.588 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.236 -2.652 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 63 0.401 -3.425 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.457 -4.724 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.636 -2.973 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.060 -4.016 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.771 -5.750 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.330 -5.126 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.249 -4.763 -6.784 1.00 0.00 H new ATOM 973 N GLN A 64 2.871 0.205 -8.186 1.00 0.00 N ATOM 974 CA GLN A 64 3.534 1.145 -9.076 1.00 0.00 C ATOM 975 C GLN A 64 4.972 1.350 -8.664 1.00 0.00 C ATOM 976 O GLN A 64 5.853 1.526 -9.505 1.00 0.00 O ATOM 977 CB GLN A 64 2.811 2.510 -9.171 1.00 0.00 C ATOM 978 CG GLN A 64 1.530 2.493 -10.040 1.00 0.00 C ATOM 979 CD GLN A 64 1.845 2.515 -11.547 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.636 1.515 -12.244 1.00 0.00 O ATOM 981 NE2 GLN A 64 2.347 3.688 -12.041 1.00 0.00 N ATOM 0 H GLN A 64 2.138 0.648 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 64 3.499 0.697 -10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.550 2.840 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.503 3.247 -9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.947 1.602 -9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.911 3.354 -9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.499 4.481 -11.417 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.570 3.770 -13.033 1.00 0.00 H new ATOM 990 N ALA A 65 5.212 1.261 -7.331 1.00 0.00 N ATOM 991 CA ALA A 65 6.492 1.409 -6.662 1.00 0.00 C ATOM 992 C ALA A 65 7.425 0.270 -6.981 1.00 0.00 C ATOM 993 O ALA A 65 8.633 0.465 -7.113 1.00 0.00 O ATOM 994 CB ALA A 65 6.380 1.640 -5.148 1.00 0.00 C ATOM 0 H ALA A 65 4.458 1.072 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 65 6.925 2.323 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.378 1.741 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.811 2.550 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.872 0.793 -4.687 1.00 0.00 H new ATOM 1000 N GLY A 66 6.845 -0.945 -7.121 1.00 0.00 N ATOM 1001 CA GLY A 66 7.541 -2.143 -7.536 1.00 0.00 C ATOM 1002 C GLY A 66 7.371 -3.265 -6.562 1.00 0.00 C ATOM 1003 O GLY A 66 8.199 -4.175 -6.549 1.00 0.00 O ATOM 0 H GLY A 66 5.854 -1.102 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.172 -2.454 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.602 -1.922 -7.651 1.00 0.00 H new ATOM 1007 N MET A 67 6.276 -3.262 -5.740 1.00 0.00 N ATOM 1008 CA MET A 67 6.021 -4.273 -4.706 1.00 0.00 C ATOM 1009 C MET A 67 5.728 -5.608 -5.342 1.00 0.00 C ATOM 1010 O MET A 67 5.128 -5.656 -6.417 1.00 0.00 O ATOM 1011 CB MET A 67 4.837 -3.971 -3.755 1.00 0.00 C ATOM 1012 CG MET A 67 5.142 -2.979 -2.615 1.00 0.00 C ATOM 1013 SD MET A 67 6.265 -3.659 -1.345 1.00 0.00 S ATOM 1014 CE MET A 67 5.082 -4.447 -0.216 1.00 0.00 C ATOM 0 H MET A 67 5.551 -2.546 -5.791 1.00 0.00 H new ATOM 0 HA MET A 67 6.934 -4.271 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.010 -3.577 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.497 -4.909 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.586 -2.077 -3.037 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.206 -2.682 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.549 -4.589 0.759 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.203 -3.811 -0.108 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.783 -5.414 -0.620 1.00 0.00 H new ATOM 1024 N ASN A 68 6.147 -6.725 -4.691 1.00 0.00 N ATOM 1025 CA ASN A 68 5.890 -8.028 -5.258 1.00 0.00 C ATOM 1026 C ASN A 68 6.130 -8.995 -4.154 1.00 0.00 C ATOM 1027 O ASN A 68 7.175 -8.992 -3.516 1.00 0.00 O ATOM 1028 CB ASN A 68 6.777 -8.389 -6.486 1.00 0.00 C ATOM 1029 CG ASN A 68 6.023 -9.278 -7.490 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.271 -10.484 -7.597 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.073 -8.627 -8.224 1.00 0.00 N ATOM 0 H ASN A 68 6.647 -6.728 -3.802 1.00 0.00 H new ATOM 0 HA ASN A 68 4.872 -8.051 -5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.102 -7.474 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.676 -8.904 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.518 -9.140 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.918 -7.628 -8.086 1.00 0.00 H new ATOM 1038 N LEU A 69 5.154 -9.896 -3.928 1.00 0.00 N ATOM 1039 CA LEU A 69 5.140 -10.870 -2.855 1.00 0.00 C ATOM 1040 C LEU A 69 5.724 -12.176 -3.375 1.00 0.00 C ATOM 1041 O LEU A 69 5.437 -13.277 -2.910 1.00 0.00 O ATOM 1042 CB LEU A 69 3.712 -10.866 -2.238 1.00 0.00 C ATOM 1043 CG LEU A 69 3.174 -12.066 -1.426 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.951 -12.296 -0.123 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.669 -11.878 -1.158 1.00 0.00 C ATOM 0 H LEU A 69 4.326 -9.955 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 69 5.788 -10.644 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.651 -9.993 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.014 -10.702 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 69 3.321 -12.965 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.530 -13.151 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.998 -12.492 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.878 -11.409 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.293 -12.726 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.512 -10.960 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.136 -11.815 -2.106 1.00 0.00 H new ATOM 1057 N GLU A 70 6.631 -12.013 -4.366 1.00 0.00 N ATOM 1058 CA GLU A 70 7.433 -12.992 -5.048 1.00 0.00 C ATOM 1059 C GLU A 70 8.526 -12.155 -5.677 1.00 0.00 C ATOM 1060 O GLU A 70 8.931 -12.366 -6.820 1.00 0.00 O ATOM 1061 CB GLU A 70 6.704 -13.783 -6.165 1.00 0.00 C ATOM 1062 CG GLU A 70 5.477 -14.604 -5.711 1.00 0.00 C ATOM 1063 CD GLU A 70 4.885 -15.396 -6.882 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.431 -14.753 -7.867 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.872 -16.653 -6.802 1.00 0.00 O ATOM 0 H GLU A 70 6.821 -11.079 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 70 7.758 -13.760 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.384 -13.079 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.419 -14.460 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.767 -15.288 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.720 -13.937 -5.299 1.00 0.00 H new ATOM 1072 N ALA A 71 9.025 -11.164 -4.900 1.00 0.00 N ATOM 1073 CA ALA A 71 10.013 -10.178 -5.292 1.00 0.00 C ATOM 1074 C ALA A 71 11.415 -10.706 -5.147 1.00 0.00 C ATOM 1075 O ALA A 71 11.678 -11.650 -4.404 1.00 0.00 O ATOM 1076 CB ALA A 71 9.894 -8.892 -4.452 1.00 0.00 C ATOM 0 H ALA A 71 8.721 -11.040 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 71 9.814 -9.953 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.650 -8.176 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.903 -8.459 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.045 -9.130 -3.399 1.00 0.00 H new ATOM 1082 N ARG A 72 12.340 -10.056 -5.893 1.00 0.00 N ATOM 1083 CA ARG A 72 13.748 -10.355 -5.948 1.00 0.00 C ATOM 1084 C ARG A 72 14.435 -8.978 -6.012 1.00 0.00 C ATOM 1085 O ARG A 72 15.234 -8.675 -5.085 1.00 0.00 O ATOM 1086 CB ARG A 72 14.104 -11.226 -7.179 1.00 0.00 C ATOM 1087 CG ARG A 72 15.603 -11.554 -7.365 1.00 0.00 C ATOM 1088 CD ARG A 72 15.910 -12.527 -8.527 1.00 0.00 C ATOM 1089 NE ARG A 72 15.359 -12.016 -9.842 1.00 0.00 N ATOM 1090 CZ ARG A 72 15.896 -10.949 -10.515 1.00 0.00 C ATOM 1091 NH1 ARG A 72 17.187 -10.549 -10.328 1.00 0.00 N ATOM 1092 NH2 ARG A 72 15.112 -10.272 -11.409 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.169 -8.218 -6.981 1.00 0.00 O ATOM 0 H ARG A 72 12.087 -9.273 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 72 14.074 -10.938 -5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.553 -12.164 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.750 -10.716 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.147 -10.624 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.985 -11.983 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.988 -12.664 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.481 -13.504 -8.307 1.00 0.00 H new ATOM 0 HE ARG A 72 14.550 -12.488 -10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.786 -11.049 -9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.554 -9.750 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.147 -10.564 -11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.492 -9.475 -11.920 1.00 0.00 H new