USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 281 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 30 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.0043) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 TYR OH : rot 30:sc= -0.0152 USER MOD Single : A 1 VAL N :NH3+ -155:sc= -0.279 (180deg=-1.3!) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.36! C(o=-2.7!,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.147 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.941) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -125:sc= -0.0053 (180deg=-0.0921) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -1.07 (180deg=-3.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.407 8.846 2.736 1.00 0.00 N ATOM 2 CA VAL A 1 -2.236 7.858 3.841 1.00 0.00 C ATOM 3 C VAL A 1 -1.238 6.773 3.430 1.00 0.00 C ATOM 4 O VAL A 1 -1.497 5.594 3.569 1.00 0.00 O ATOM 5 CB VAL A 1 -3.624 7.255 4.054 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.567 6.227 5.184 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.610 8.364 4.426 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.716 9.757 3.130 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.502 8.973 2.240 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.123 8.498 2.066 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.849 8.319 4.750 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.952 6.768 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.557 5.797 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.865 5.436 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.238 6.714 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.600 7.935 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.281 8.851 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.653 9.098 3.621 1.00 0.00 H new ATOM 19 N PHE A 2 -0.100 7.160 2.923 1.00 0.00 N ATOM 20 CA PHE A 2 0.910 6.147 2.501 1.00 0.00 C ATOM 21 C PHE A 2 1.848 5.823 3.663 1.00 0.00 C ATOM 22 O PHE A 2 1.711 6.351 4.749 1.00 0.00 O ATOM 23 CB PHE A 2 1.679 6.808 1.356 1.00 0.00 C ATOM 24 CG PHE A 2 0.736 7.147 0.219 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.618 6.783 0.282 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.221 7.831 -0.903 1.00 0.00 C ATOM 27 CE1 PHE A 2 -1.480 7.102 -0.772 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.358 8.149 -1.957 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.993 7.786 -1.892 1.00 0.00 C ATOM 0 H PHE A 2 0.175 8.132 2.783 1.00 0.00 H new ATOM 0 HA PHE A 2 0.451 5.208 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.170 7.713 1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.463 6.139 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.995 6.256 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.262 8.113 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.521 6.821 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.734 8.675 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.659 8.034 -2.706 1.00 0.00 H new ATOM 39 N ILE A 3 2.801 4.960 3.445 1.00 0.00 N ATOM 40 CA ILE A 3 3.747 4.603 4.544 1.00 0.00 C ATOM 41 C ILE A 3 5.041 4.023 3.971 1.00 0.00 C ATOM 42 O ILE A 3 5.025 3.218 3.061 1.00 0.00 O ATOM 43 CB ILE A 3 3.020 3.553 5.391 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.197 2.628 4.487 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.090 4.251 6.384 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.415 1.634 5.346 1.00 0.00 C ATOM 0 H ILE A 3 2.967 4.487 2.557 1.00 0.00 H new ATOM 0 HA ILE A 3 4.024 5.476 5.134 1.00 0.00 H new ATOM 0 HB ILE A 3 3.757 2.961 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.511 3.215 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.855 2.093 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.573 3.503 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.675 4.900 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.358 4.847 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.831 0.977 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.110 1.038 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.746 2.177 6.013 1.00 0.00 H new ATOM 58 N ASN A 4 6.163 4.424 4.500 1.00 0.00 N ATOM 59 CA ASN A 4 7.461 3.896 3.991 1.00 0.00 C ATOM 60 C ASN A 4 7.822 2.596 4.716 1.00 0.00 C ATOM 61 O ASN A 4 8.766 2.538 5.477 1.00 0.00 O ATOM 62 CB ASN A 4 8.485 4.987 4.302 1.00 0.00 C ATOM 63 CG ASN A 4 8.397 5.371 5.781 1.00 0.00 C ATOM 64 OD1 ASN A 4 8.207 6.621 6.107 1.00 0.00 O flip ATOM 65 ND2 ASN A 4 8.503 4.528 6.649 1.00 0.00 N flip ATOM 0 H ASN A 4 6.238 5.096 5.264 1.00 0.00 H new ATOM 0 HA ASN A 4 7.424 3.667 2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.489 4.634 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.300 5.861 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.651 3.551 6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.444 4.797 7.631 1.00 0.00 H new ATOM 72 N ALA A 5 7.074 1.551 4.485 1.00 0.00 N ATOM 73 CA ALA A 5 7.370 0.255 5.159 1.00 0.00 C ATOM 74 C ALA A 5 8.383 -0.552 4.340 1.00 0.00 C ATOM 75 O ALA A 5 8.704 -1.677 4.667 1.00 0.00 O ATOM 76 CB ALA A 5 6.026 -0.473 5.214 1.00 0.00 C ATOM 0 H ALA A 5 6.270 1.539 3.858 1.00 0.00 H new ATOM 0 HA ALA A 5 7.804 0.394 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.156 -1.441 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.312 0.124 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.651 -0.621 4.201 1.00 0.00 H new ATOM 82 N LYS A 6 8.888 0.015 3.278 1.00 0.00 N ATOM 83 CA LYS A 6 9.877 -0.724 2.440 1.00 0.00 C ATOM 84 C LYS A 6 9.280 -2.053 1.970 1.00 0.00 C ATOM 85 O LYS A 6 9.819 -3.112 2.226 1.00 0.00 O ATOM 86 CB LYS A 6 11.073 -0.969 3.361 1.00 0.00 C ATOM 87 CG LYS A 6 12.164 0.067 3.076 1.00 0.00 C ATOM 88 CD LYS A 6 13.245 -0.560 2.191 1.00 0.00 C ATOM 89 CE LYS A 6 13.803 0.501 1.237 1.00 0.00 C ATOM 90 NZ LYS A 6 15.105 0.920 1.833 1.00 0.00 N ATOM 0 H LYS A 6 8.660 0.955 2.955 1.00 0.00 H new ATOM 0 HA LYS A 6 10.159 -0.168 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.761 -0.905 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.464 -1.975 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.733 0.937 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.602 0.416 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.046 -0.966 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.828 -1.392 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.942 0.095 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.121 1.347 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.544 1.646 1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.942 1.309 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.737 0.097 1.900 1.00 0.00 H new ATOM 104 N CYS A 7 8.170 -2.008 1.286 1.00 0.00 N ATOM 105 CA CYS A 7 7.540 -3.272 0.805 1.00 0.00 C ATOM 106 C CYS A 7 8.445 -3.953 -0.227 1.00 0.00 C ATOM 107 O CYS A 7 9.382 -3.365 -0.729 1.00 0.00 O ATOM 108 CB CYS A 7 6.216 -2.844 0.165 1.00 0.00 C ATOM 109 SG CYS A 7 6.535 -2.019 -1.416 1.00 0.00 S ATOM 0 H CYS A 7 7.672 -1.153 1.039 1.00 0.00 H new ATOM 0 HA CYS A 7 7.384 -3.988 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.579 -3.715 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.679 -2.172 0.834 1.00 0.00 H new ATOM 114 N ARG A 8 8.174 -5.188 -0.549 1.00 0.00 N ATOM 115 CA ARG A 8 9.021 -5.895 -1.549 1.00 0.00 C ATOM 116 C ARG A 8 8.260 -6.053 -2.867 1.00 0.00 C ATOM 117 O ARG A 8 8.818 -6.447 -3.872 1.00 0.00 O ATOM 118 CB ARG A 8 9.314 -7.262 -0.932 1.00 0.00 C ATOM 119 CG ARG A 8 10.304 -7.098 0.223 1.00 0.00 C ATOM 120 CD ARG A 8 10.384 -8.403 1.018 1.00 0.00 C ATOM 121 NE ARG A 8 11.072 -8.035 2.288 1.00 0.00 N ATOM 122 CZ ARG A 8 11.230 -8.927 3.227 1.00 0.00 C ATOM 123 NH1 ARG A 8 10.189 -9.424 3.837 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.430 -9.317 3.560 1.00 0.00 N ATOM 0 H ARG A 8 7.405 -5.736 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 8 9.936 -5.347 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.391 -7.716 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.726 -7.933 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.289 -6.834 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.988 -6.283 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.391 -8.811 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.941 -9.165 0.473 1.00 0.00 H new ATOM 0 HE ARG A 8 11.419 -7.086 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.252 -9.115 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.313 -10.121 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.244 -8.925 3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.554 -10.014 4.294 1.00 0.00 H new ATOM 138 N GLY A 9 6.989 -5.750 -2.875 1.00 0.00 N ATOM 139 CA GLY A 9 6.206 -5.890 -4.135 1.00 0.00 C ATOM 140 C GLY A 9 4.914 -5.072 -4.047 1.00 0.00 C ATOM 141 O GLY A 9 4.412 -4.789 -2.978 1.00 0.00 O ATOM 0 H GLY A 9 6.463 -5.414 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.803 -5.552 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.970 -6.939 -4.310 1.00 0.00 H new ATOM 145 N SER A 10 4.375 -4.697 -5.176 1.00 0.00 N ATOM 146 CA SER A 10 3.111 -3.902 -5.190 1.00 0.00 C ATOM 147 C SER A 10 1.927 -4.686 -4.591 1.00 0.00 C ATOM 148 O SER A 10 1.146 -4.121 -3.852 1.00 0.00 O ATOM 149 CB SER A 10 2.855 -3.606 -6.667 1.00 0.00 C ATOM 150 OG SER A 10 4.071 -3.737 -7.391 1.00 0.00 O ATOM 0 H SER A 10 4.759 -4.909 -6.097 1.00 0.00 H new ATOM 0 HA SER A 10 3.206 -3.000 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.107 -4.293 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.456 -2.598 -6.784 1.00 0.00 H new ATOM 0 HG SER A 10 3.909 -3.549 -8.339 1.00 0.00 H new ATOM 156 N PRO A 11 1.804 -5.955 -4.926 1.00 0.00 N ATOM 157 CA PRO A 11 0.675 -6.761 -4.401 1.00 0.00 C ATOM 158 C PRO A 11 0.707 -6.815 -2.871 1.00 0.00 C ATOM 159 O PRO A 11 -0.257 -7.194 -2.235 1.00 0.00 O ATOM 160 CB PRO A 11 0.916 -8.138 -5.028 1.00 0.00 C ATOM 161 CG PRO A 11 2.176 -8.066 -5.909 1.00 0.00 C ATOM 162 CD PRO A 11 2.761 -6.650 -5.822 1.00 0.00 C ATOM 0 HA PRO A 11 -0.305 -6.353 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.042 -8.891 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.054 -8.437 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.911 -8.799 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.928 -8.309 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.771 -6.654 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.817 -6.174 -6.801 1.00 0.00 H new ATOM 170 N GLU A 12 1.796 -6.420 -2.273 1.00 0.00 N ATOM 171 CA GLU A 12 1.869 -6.433 -0.784 1.00 0.00 C ATOM 172 C GLU A 12 1.062 -5.256 -0.232 1.00 0.00 C ATOM 173 O GLU A 12 0.630 -5.254 0.906 1.00 0.00 O ATOM 174 CB GLU A 12 3.354 -6.268 -0.457 1.00 0.00 C ATOM 175 CG GLU A 12 3.819 -7.434 0.416 1.00 0.00 C ATOM 176 CD GLU A 12 5.013 -6.992 1.264 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.572 -5.950 0.965 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.348 -7.703 2.197 1.00 0.00 O ATOM 0 H GLU A 12 2.636 -6.090 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 12 1.463 -7.345 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.938 -6.234 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.520 -5.324 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.005 -7.767 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.098 -8.282 -0.210 1.00 0.00 H new ATOM 185 N CYS A 13 0.856 -4.254 -1.043 1.00 0.00 N ATOM 186 CA CYS A 13 0.079 -3.066 -0.594 1.00 0.00 C ATOM 187 C CYS A 13 -1.403 -3.423 -0.467 1.00 0.00 C ATOM 188 O CYS A 13 -2.133 -2.821 0.297 1.00 0.00 O ATOM 189 CB CYS A 13 0.290 -2.025 -1.693 1.00 0.00 C ATOM 190 SG CYS A 13 1.669 -0.944 -1.241 1.00 0.00 S ATOM 0 H CYS A 13 1.195 -4.208 -2.004 1.00 0.00 H new ATOM 0 HA CYS A 13 0.400 -2.702 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.497 -2.519 -2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.617 -1.437 -1.831 1.00 0.00 H new ATOM 195 N LEU A 14 -1.855 -4.399 -1.206 1.00 0.00 N ATOM 196 CA LEU A 14 -3.286 -4.792 -1.121 1.00 0.00 C ATOM 197 C LEU A 14 -3.631 -5.200 0.319 1.00 0.00 C ATOM 198 O LEU A 14 -4.504 -4.615 0.926 1.00 0.00 O ATOM 199 CB LEU A 14 -3.431 -5.968 -2.086 1.00 0.00 C ATOM 200 CG LEU A 14 -4.041 -5.479 -3.401 1.00 0.00 C ATOM 201 CD1 LEU A 14 -2.922 -5.049 -4.352 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.846 -6.612 -4.041 1.00 0.00 C ATOM 0 H LEU A 14 -1.294 -4.940 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.964 -3.980 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.457 -6.422 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.063 -6.738 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.698 -4.632 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.355 -4.700 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.347 -4.243 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.266 -5.897 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.281 -6.265 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.189 -7.459 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.642 -6.920 -3.363 1.00 0.00 H new ATOM 214 N PRO A 15 -2.925 -6.182 0.836 1.00 0.00 N ATOM 215 CA PRO A 15 -3.170 -6.636 2.226 1.00 0.00 C ATOM 216 C PRO A 15 -2.933 -5.482 3.202 1.00 0.00 C ATOM 217 O PRO A 15 -3.716 -5.241 4.100 1.00 0.00 O ATOM 218 CB PRO A 15 -2.116 -7.730 2.417 1.00 0.00 C ATOM 219 CG PRO A 15 -1.295 -7.859 1.119 1.00 0.00 C ATOM 220 CD PRO A 15 -1.865 -6.889 0.076 1.00 0.00 C ATOM 0 HA PRO A 15 -4.187 -6.985 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.463 -7.483 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.596 -8.679 2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.246 -7.633 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.337 -8.882 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.105 -6.201 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.269 -7.415 -0.789 1.00 0.00 H new ATOM 228 N LYS A 16 -1.853 -4.766 3.030 1.00 0.00 N ATOM 229 CA LYS A 16 -1.560 -3.626 3.945 1.00 0.00 C ATOM 230 C LYS A 16 -2.662 -2.571 3.840 1.00 0.00 C ATOM 231 O LYS A 16 -3.207 -2.130 4.833 1.00 0.00 O ATOM 232 CB LYS A 16 -0.226 -3.063 3.454 1.00 0.00 C ATOM 233 CG LYS A 16 0.902 -4.021 3.834 1.00 0.00 C ATOM 234 CD LYS A 16 1.486 -3.609 5.186 1.00 0.00 C ATOM 235 CE LYS A 16 2.950 -3.204 5.007 1.00 0.00 C ATOM 236 NZ LYS A 16 3.165 -2.097 5.981 1.00 0.00 N ATOM 0 H LYS A 16 -1.162 -4.922 2.296 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.513 -3.932 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.253 -2.926 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.049 -2.082 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.525 -5.042 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.679 -4.006 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.916 -2.778 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.410 -4.434 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.619 -4.041 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.147 -2.876 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.159 -2.091 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.935 -1.188 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.551 -2.238 6.808 1.00 0.00 H new ATOM 250 N CYS A 17 -2.996 -2.163 2.647 1.00 0.00 N ATOM 251 CA CYS A 17 -4.064 -1.137 2.485 1.00 0.00 C ATOM 252 C CYS A 17 -5.340 -1.592 3.197 1.00 0.00 C ATOM 253 O CYS A 17 -6.053 -0.802 3.782 1.00 0.00 O ATOM 254 CB CYS A 17 -4.300 -1.038 0.977 1.00 0.00 C ATOM 255 SG CYS A 17 -2.960 -0.089 0.213 1.00 0.00 S ATOM 0 H CYS A 17 -2.576 -2.495 1.779 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.781 -0.176 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.348 -2.035 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.258 -0.557 0.779 1.00 0.00 H new ATOM 260 N LYS A 18 -5.629 -2.863 3.156 1.00 0.00 N ATOM 261 CA LYS A 18 -6.854 -3.369 3.832 1.00 0.00 C ATOM 262 C LYS A 18 -6.781 -3.081 5.332 1.00 0.00 C ATOM 263 O LYS A 18 -7.682 -2.509 5.911 1.00 0.00 O ATOM 264 CB LYS A 18 -6.849 -4.876 3.576 1.00 0.00 C ATOM 265 CG LYS A 18 -8.198 -5.468 3.984 1.00 0.00 C ATOM 266 CD LYS A 18 -9.170 -5.387 2.805 1.00 0.00 C ATOM 267 CE LYS A 18 -10.579 -5.746 3.281 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.684 -7.219 3.090 1.00 0.00 N ATOM 0 H LYS A 18 -5.069 -3.573 2.683 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.762 -2.894 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.656 -5.076 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.046 -5.349 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.073 -6.505 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.601 -4.926 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.162 -4.383 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.857 -6.069 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.725 -5.472 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.338 -5.218 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.624 -7.542 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.547 -7.449 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.954 -7.695 3.657 1.00 0.00 H new ATOM 282 N GLU A 19 -5.710 -3.474 5.963 1.00 0.00 N ATOM 283 CA GLU A 19 -5.574 -3.222 7.426 1.00 0.00 C ATOM 284 C GLU A 19 -5.219 -1.752 7.675 1.00 0.00 C ATOM 285 O GLU A 19 -5.138 -1.306 8.802 1.00 0.00 O ATOM 286 CB GLU A 19 -4.434 -4.133 7.883 1.00 0.00 C ATOM 287 CG GLU A 19 -4.999 -5.493 8.302 1.00 0.00 C ATOM 288 CD GLU A 19 -5.986 -5.305 9.455 1.00 0.00 C ATOM 289 OE1 GLU A 19 -5.581 -4.769 10.474 1.00 0.00 O ATOM 290 OE2 GLU A 19 -7.129 -5.701 9.300 1.00 0.00 O ATOM 0 H GLU A 19 -4.923 -3.958 5.530 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.498 -3.425 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.712 -4.261 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.902 -3.676 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.498 -5.967 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.190 -6.156 8.607 1.00 0.00 H new ATOM 297 N ALA A 20 -5.005 -1.000 6.630 1.00 0.00 N ATOM 298 CA ALA A 20 -4.655 0.439 6.805 1.00 0.00 C ATOM 299 C ALA A 20 -5.853 1.323 6.443 1.00 0.00 C ATOM 300 O ALA A 20 -6.212 2.225 7.173 1.00 0.00 O ATOM 301 CB ALA A 20 -3.497 0.687 5.839 1.00 0.00 C ATOM 0 H ALA A 20 -5.057 -1.319 5.663 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.385 0.675 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.181 1.728 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.662 0.036 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.821 0.474 4.820 1.00 0.00 H new ATOM 307 N ILE A 21 -6.474 1.068 5.323 1.00 0.00 N ATOM 308 CA ILE A 21 -7.648 1.892 4.918 1.00 0.00 C ATOM 309 C ILE A 21 -8.906 1.020 4.849 1.00 0.00 C ATOM 310 O ILE A 21 -10.008 1.487 5.049 1.00 0.00 O ATOM 311 CB ILE A 21 -7.290 2.441 3.535 1.00 0.00 C ATOM 312 CG1 ILE A 21 -8.462 3.263 2.996 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.997 1.283 2.579 1.00 0.00 C ATOM 314 CD1 ILE A 21 -8.126 3.766 1.592 1.00 0.00 C ATOM 0 H ILE A 21 -6.219 0.325 4.672 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.858 2.692 5.628 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.406 3.073 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.366 2.654 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.664 4.105 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.743 1.678 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.161 0.698 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.878 0.647 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.960 4.352 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.233 4.389 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.945 2.916 0.934 1.00 0.00 H new ATOM 326 N GLY A 22 -8.746 -0.248 4.575 1.00 0.00 N ATOM 327 CA GLY A 22 -9.930 -1.151 4.504 1.00 0.00 C ATOM 328 C GLY A 22 -10.557 -1.092 3.109 1.00 0.00 C ATOM 329 O GLY A 22 -11.763 -1.117 2.961 1.00 0.00 O ATOM 0 H GLY A 22 -7.847 -0.696 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.631 -2.174 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.665 -0.858 5.254 1.00 0.00 H new ATOM 333 N LYS A 23 -9.755 -1.015 2.082 1.00 0.00 N ATOM 334 CA LYS A 23 -10.321 -0.958 0.702 1.00 0.00 C ATOM 335 C LYS A 23 -9.513 -1.844 -0.252 1.00 0.00 C ATOM 336 O LYS A 23 -9.789 -1.905 -1.434 1.00 0.00 O ATOM 337 CB LYS A 23 -10.213 0.509 0.288 1.00 0.00 C ATOM 338 CG LYS A 23 -10.896 0.709 -1.067 1.00 0.00 C ATOM 339 CD LYS A 23 -11.940 1.823 -0.957 1.00 0.00 C ATOM 340 CE LYS A 23 -11.771 2.798 -2.125 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.095 2.816 -2.807 1.00 0.00 N ATOM 0 H LYS A 23 -8.737 -0.989 2.137 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.349 -1.319 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.680 1.145 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.166 0.804 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.155 0.965 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.371 -0.218 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.944 1.398 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.826 2.350 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.495 3.792 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.983 2.470 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.058 3.463 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.328 1.858 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.825 3.139 -2.140 1.00 0.00 H new ATOM 355 N ALA A 24 -8.520 -2.530 0.248 1.00 0.00 N ATOM 356 CA ALA A 24 -7.699 -3.408 -0.635 1.00 0.00 C ATOM 357 C ALA A 24 -7.418 -2.707 -1.968 1.00 0.00 C ATOM 358 O ALA A 24 -7.592 -3.274 -3.027 1.00 0.00 O ATOM 359 CB ALA A 24 -8.552 -4.657 -0.858 1.00 0.00 C ATOM 0 H ALA A 24 -8.242 -2.520 1.229 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.732 -3.648 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.015 -5.354 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.759 -5.132 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.492 -4.376 -1.333 1.00 0.00 H new ATOM 365 N ALA A 25 -6.987 -1.477 -1.922 1.00 0.00 N ATOM 366 CA ALA A 25 -6.697 -0.739 -3.184 1.00 0.00 C ATOM 367 C ALA A 25 -5.492 0.182 -2.988 1.00 0.00 C ATOM 368 O ALA A 25 -5.570 1.180 -2.300 1.00 0.00 O ATOM 369 CB ALA A 25 -7.957 0.079 -3.468 1.00 0.00 C ATOM 0 H ALA A 25 -6.823 -0.950 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.456 -1.410 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.820 0.652 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.808 -0.592 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.142 0.761 -2.639 1.00 0.00 H new ATOM 375 N GLY A 26 -4.377 -0.145 -3.582 1.00 0.00 N ATOM 376 CA GLY A 26 -3.174 0.717 -3.418 1.00 0.00 C ATOM 377 C GLY A 26 -2.013 0.160 -4.239 1.00 0.00 C ATOM 378 O GLY A 26 -2.142 -0.832 -4.929 1.00 0.00 O ATOM 0 H GLY A 26 -4.248 -0.968 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.400 1.734 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.894 0.768 -2.366 1.00 0.00 H new ATOM 382 N LYS A 27 -0.877 0.793 -4.160 1.00 0.00 N ATOM 383 CA LYS A 27 0.309 0.312 -4.923 1.00 0.00 C ATOM 384 C LYS A 27 1.582 0.606 -4.125 1.00 0.00 C ATOM 385 O LYS A 27 1.537 1.232 -3.085 1.00 0.00 O ATOM 386 CB LYS A 27 0.296 1.111 -6.228 1.00 0.00 C ATOM 387 CG LYS A 27 -1.127 1.150 -6.790 1.00 0.00 C ATOM 388 CD LYS A 27 -1.086 1.564 -8.264 1.00 0.00 C ATOM 389 CE LYS A 27 -1.791 2.910 -8.438 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.765 3.805 -9.043 1.00 0.00 N ATOM 0 H LYS A 27 -0.717 1.628 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 27 0.281 -0.761 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.656 2.124 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.972 0.656 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.595 0.171 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.734 1.854 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.053 1.637 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.571 0.806 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.665 2.818 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.141 3.299 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.173 4.750 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.052 3.879 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.456 3.412 -9.955 1.00 0.00 H new ATOM 404 N CYS A 28 2.716 0.166 -4.594 1.00 0.00 N ATOM 405 CA CYS A 28 3.976 0.435 -3.845 1.00 0.00 C ATOM 406 C CYS A 28 5.043 0.996 -4.787 1.00 0.00 C ATOM 407 O CYS A 28 5.317 0.440 -5.833 1.00 0.00 O ATOM 408 CB CYS A 28 4.409 -0.919 -3.282 1.00 0.00 C ATOM 409 SG CYS A 28 5.021 -0.693 -1.592 1.00 0.00 S ATOM 0 H CYS A 28 2.826 -0.365 -5.458 1.00 0.00 H new ATOM 0 HA CYS A 28 3.834 1.172 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.569 -1.614 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.188 -1.355 -3.908 1.00 0.00 H new ATOM 414 N MET A 29 5.647 2.096 -4.426 1.00 0.00 N ATOM 415 CA MET A 29 6.695 2.695 -5.301 1.00 0.00 C ATOM 416 C MET A 29 7.811 3.299 -4.447 1.00 0.00 C ATOM 417 O MET A 29 7.600 3.676 -3.311 1.00 0.00 O ATOM 418 CB MET A 29 5.974 3.785 -6.093 1.00 0.00 C ATOM 419 CG MET A 29 6.917 4.358 -7.152 1.00 0.00 C ATOM 420 SD MET A 29 6.472 3.696 -8.777 1.00 0.00 S ATOM 421 CE MET A 29 5.028 4.749 -9.064 1.00 0.00 C ATOM 0 H MET A 29 5.460 2.606 -3.563 1.00 0.00 H new ATOM 0 HA MET A 29 7.160 1.958 -5.955 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.083 3.374 -6.569 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.641 4.576 -5.422 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.853 5.446 -7.161 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.949 4.101 -6.913 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.159 4.125 -9.274 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.836 5.352 -8.177 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.219 5.404 -9.914 1.00 0.00 H new ATOM 431 N ASN A 30 8.997 3.390 -4.981 1.00 0.00 N ATOM 432 CA ASN A 30 10.122 3.967 -4.194 1.00 0.00 C ATOM 433 C ASN A 30 10.318 3.174 -2.898 1.00 0.00 C ATOM 434 O ASN A 30 10.896 3.656 -1.945 1.00 0.00 O ATOM 435 CB ASN A 30 9.696 5.404 -3.889 1.00 0.00 C ATOM 436 CG ASN A 30 10.934 6.253 -3.597 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.079 6.784 -2.514 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.841 6.404 -4.524 1.00 0.00 N ATOM 0 H ASN A 30 9.236 3.090 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 30 11.068 3.931 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.149 5.819 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.021 5.420 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.671 6.968 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.720 5.958 -5.433 1.00 0.00 H new ATOM 445 N GLY A 31 9.839 1.961 -2.859 1.00 0.00 N ATOM 446 CA GLY A 31 9.997 1.136 -1.626 1.00 0.00 C ATOM 447 C GLY A 31 8.980 1.586 -0.576 1.00 0.00 C ATOM 448 O GLY A 31 9.215 1.488 0.612 1.00 0.00 O ATOM 0 H GLY A 31 9.345 1.505 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.851 0.082 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.009 1.238 -1.235 1.00 0.00 H new ATOM 452 N LYS A 32 7.849 2.080 -1.003 1.00 0.00 N ATOM 453 CA LYS A 32 6.820 2.534 -0.027 1.00 0.00 C ATOM 454 C LYS A 32 5.418 2.174 -0.530 1.00 0.00 C ATOM 455 O LYS A 32 5.190 2.039 -1.715 1.00 0.00 O ATOM 456 CB LYS A 32 6.993 4.051 0.051 1.00 0.00 C ATOM 457 CG LYS A 32 8.424 4.379 0.479 1.00 0.00 C ATOM 458 CD LYS A 32 8.502 5.843 0.917 1.00 0.00 C ATOM 459 CE LYS A 32 9.934 6.173 1.345 1.00 0.00 C ATOM 460 NZ LYS A 32 10.130 7.598 0.959 1.00 0.00 N ATOM 0 H LYS A 32 7.594 2.188 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 32 6.936 2.061 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.779 4.503 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.283 4.473 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.729 3.727 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.112 4.198 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.196 6.495 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.814 6.024 1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.068 6.032 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.655 5.526 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.090 7.899 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.002 7.700 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.434 8.191 1.455 1.00 0.00 H new ATOM 474 N CYS A 33 4.482 2.009 0.365 1.00 0.00 N ATOM 475 CA CYS A 33 3.099 1.647 -0.060 1.00 0.00 C ATOM 476 C CYS A 33 2.238 2.901 -0.237 1.00 0.00 C ATOM 477 O CYS A 33 2.488 3.929 0.361 1.00 0.00 O ATOM 478 CB CYS A 33 2.554 0.784 1.076 1.00 0.00 C ATOM 479 SG CYS A 33 1.089 -0.110 0.505 1.00 0.00 S ATOM 0 H CYS A 33 4.615 2.109 1.371 1.00 0.00 H new ATOM 0 HA CYS A 33 3.090 1.126 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.316 0.080 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.301 1.409 1.932 1.00 0.00 H new ATOM 484 N LYS A 34 1.223 2.817 -1.054 1.00 0.00 N ATOM 485 CA LYS A 34 0.336 3.997 -1.274 1.00 0.00 C ATOM 486 C LYS A 34 -1.094 3.531 -1.571 1.00 0.00 C ATOM 487 O LYS A 34 -1.412 3.145 -2.678 1.00 0.00 O ATOM 488 CB LYS A 34 0.926 4.717 -2.488 1.00 0.00 C ATOM 489 CG LYS A 34 2.450 4.781 -2.362 1.00 0.00 C ATOM 490 CD LYS A 34 3.014 5.700 -3.448 1.00 0.00 C ATOM 491 CE LYS A 34 2.689 5.122 -4.826 1.00 0.00 C ATOM 492 NZ LYS A 34 3.049 3.680 -4.733 1.00 0.00 N ATOM 0 H LYS A 34 0.969 1.981 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 34 0.287 4.646 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.649 4.193 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.515 5.724 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.729 5.152 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.876 3.782 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.588 6.699 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.093 5.801 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.634 5.251 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.260 5.622 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.231 3.306 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.903 3.572 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.264 3.154 -4.299 1.00 0.00 H new ATOM 506 N CYS A 35 -1.957 3.559 -0.590 1.00 0.00 N ATOM 507 CA CYS A 35 -3.364 3.112 -0.820 1.00 0.00 C ATOM 508 C CYS A 35 -4.185 4.239 -1.455 1.00 0.00 C ATOM 509 O CYS A 35 -3.717 5.349 -1.609 1.00 0.00 O ATOM 510 CB CYS A 35 -3.900 2.768 0.570 1.00 0.00 C ATOM 511 SG CYS A 35 -2.798 1.568 1.358 1.00 0.00 S ATOM 0 H CYS A 35 -1.750 3.871 0.359 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.422 2.262 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.969 3.670 1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.907 2.358 0.493 1.00 0.00 H new ATOM 516 N TYR A 36 -5.404 3.958 -1.829 1.00 0.00 N ATOM 517 CA TYR A 36 -6.253 5.010 -2.459 1.00 0.00 C ATOM 518 C TYR A 36 -7.362 5.449 -1.492 1.00 0.00 C ATOM 519 O TYR A 36 -7.932 4.626 -0.805 1.00 0.00 O ATOM 520 CB TYR A 36 -6.860 4.336 -3.691 1.00 0.00 C ATOM 521 CG TYR A 36 -5.994 4.609 -4.898 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.826 5.921 -5.355 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.358 3.551 -5.560 1.00 0.00 C ATOM 524 CE1 TYR A 36 -5.024 6.176 -6.472 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.555 3.807 -6.679 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.388 5.120 -7.134 1.00 0.00 C ATOM 527 OH TYR A 36 -3.598 5.375 -8.236 1.00 0.00 O ATOM 0 H TYR A 36 -5.849 3.046 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.682 5.903 -2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.943 3.262 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.869 4.711 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.316 6.737 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.487 2.538 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.895 7.189 -6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.065 2.992 -7.190 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.200 6.267 -8.154 1.00 0.00 H new ATOM 537 N PRO A 37 -7.640 6.731 -1.467 1.00 0.00 N ATOM 538 CA PRO A 37 -8.695 7.263 -0.571 1.00 0.00 C ATOM 539 C PRO A 37 -10.059 6.670 -0.934 1.00 0.00 C ATOM 540 O PRO A 37 -10.519 5.804 -0.210 1.00 0.00 O ATOM 541 CB PRO A 37 -8.657 8.768 -0.860 1.00 0.00 C ATOM 542 CG PRO A 37 -7.574 9.041 -1.921 1.00 0.00 C ATOM 543 CD PRO A 37 -6.928 7.708 -2.321 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.619 7.093 -1.933 1.00 0.00 O ATOM 0 HA PRO A 37 -8.537 7.022 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.629 9.109 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.440 9.323 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.014 9.524 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.821 9.722 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.065 7.494 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.855 7.705 -2.131 1.00 0.00 H new TER 552 PRO A 37