USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 286 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00136 K(o=-0.0014,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.074 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.098 X(o=-0.098,f=-0.53) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.206 0.605 12.152 1.00 1.00 N ATOM 2 CA GLY A 1 4.016 0.167 11.371 1.00 1.00 C ATOM 3 C GLY A 1 3.722 1.027 10.201 1.00 1.00 C ATOM 4 O GLY A 1 2.773 1.816 10.277 1.00 1.00 O ATOM 0 H1 GLY A 1 5.352 -0.041 12.954 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.047 0.593 11.540 1.00 1.00 H new ATOM 0 H3 GLY A 1 5.051 1.570 12.508 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.174 -0.856 11.029 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.146 0.153 12.028 1.00 1.00 H new ATOM 7 N VAL A 2 4.495 0.925 9.103 1.00 1.00 N ATOM 8 CA VAL A 2 4.074 1.696 7.966 1.00 1.00 C ATOM 9 C VAL A 2 3.322 0.713 7.098 1.00 1.00 C ATOM 10 O VAL A 2 3.875 -0.030 6.287 1.00 1.00 O ATOM 11 CB VAL A 2 5.267 2.291 7.188 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.803 3.525 7.897 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.368 1.254 7.006 1.00 1.00 C ATOM 0 H VAL A 2 5.339 0.362 8.998 1.00 1.00 H new ATOM 0 HA VAL A 2 3.469 2.549 8.272 1.00 1.00 H new ATOM 0 HB VAL A 2 4.916 2.587 6.200 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.644 3.931 7.335 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.016 4.276 7.966 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.134 3.254 8.899 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.198 1.697 6.455 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.718 0.920 7.983 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.977 0.402 6.450 1.00 1.00 H new ATOM 23 N GLU A 3 2.026 0.787 7.315 1.00 1.00 N ATOM 24 CA GLU A 3 0.991 0.025 6.650 1.00 1.00 C ATOM 25 C GLU A 3 -0.225 0.883 6.719 1.00 1.00 C ATOM 26 O GLU A 3 -0.305 1.751 7.600 1.00 1.00 O ATOM 27 CB GLU A 3 0.729 -1.313 7.356 1.00 1.00 C ATOM 28 CG GLU A 3 1.985 -2.075 7.755 1.00 1.00 C ATOM 29 CD GLU A 3 2.391 -1.834 9.200 1.00 1.00 C ATOM 30 OE1 GLU A 3 3.316 -2.525 9.679 1.00 1.00 O ATOM 31 OE2 GLU A 3 1.784 -0.958 9.853 1.00 1.00 O ATOM 0 H GLU A 3 1.641 1.427 8.010 1.00 1.00 H new ATOM 0 HA GLU A 3 1.279 -0.220 5.627 1.00 1.00 H new ATOM 0 HB2 GLU A 3 0.133 -1.127 8.250 1.00 1.00 H new ATOM 0 HB3 GLU A 3 0.130 -1.944 6.700 1.00 1.00 H new ATOM 0 HG2 GLU A 3 1.820 -3.142 7.603 1.00 1.00 H new ATOM 0 HG3 GLU A 3 2.805 -1.782 7.099 1.00 1.00 H new ATOM 38 N ILE A 4 -1.159 0.684 5.851 1.00 1.00 N ATOM 39 CA ILE A 4 -2.369 1.444 5.940 1.00 1.00 C ATOM 40 C ILE A 4 -3.535 0.494 5.807 1.00 1.00 C ATOM 41 O ILE A 4 -3.405 -0.508 5.095 1.00 1.00 O ATOM 42 CB ILE A 4 -2.452 2.542 4.842 1.00 1.00 C ATOM 43 CG1 ILE A 4 -2.538 1.920 3.425 1.00 1.00 C ATOM 44 CG2 ILE A 4 -1.253 3.473 4.940 1.00 1.00 C ATOM 45 CD1 ILE A 4 -3.287 2.769 2.427 1.00 1.00 C ATOM 0 H ILE A 4 -1.115 0.015 5.083 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.391 1.954 6.903 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.363 3.116 5.009 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.528 1.746 3.054 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -3.023 0.947 3.495 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -1.322 4.238 4.166 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -1.241 3.949 5.921 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.336 2.900 4.803 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -3.303 2.265 1.460 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -4.309 2.922 2.774 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.790 3.734 2.325 1.00 1.00 H new ATOM 57 N ASN A 5 -4.661 0.748 6.470 1.00 1.00 N ATOM 58 CA ASN A 5 -5.758 -0.165 6.267 1.00 1.00 C ATOM 59 C ASN A 5 -6.395 0.259 4.961 1.00 1.00 C ATOM 60 O ASN A 5 -7.043 1.302 4.871 1.00 1.00 O ATOM 61 CB ASN A 5 -6.762 -0.081 7.422 1.00 1.00 C ATOM 62 CG ASN A 5 -7.684 -1.284 7.489 1.00 1.00 C ATOM 63 OD1 ASN A 5 -8.036 -1.871 6.465 1.00 1.00 O ATOM 64 ND2 ASN A 5 -8.080 -1.660 8.700 1.00 1.00 N ATOM 0 H ASN A 5 -4.825 1.526 7.109 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.421 -1.201 6.233 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -6.219 0.008 8.363 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -7.360 0.824 7.312 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -8.699 -2.463 8.808 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -7.765 -1.146 9.522 1.00 1.00 H new ATOM 71 N VAL A 6 -6.201 -0.576 3.952 1.00 1.00 N ATOM 72 CA VAL A 6 -6.728 -0.316 2.632 1.00 1.00 C ATOM 73 C VAL A 6 -7.252 -1.609 2.010 1.00 1.00 C ATOM 74 O VAL A 6 -6.689 -2.679 2.249 1.00 1.00 O ATOM 75 CB VAL A 6 -5.674 0.424 1.701 1.00 1.00 C ATOM 76 CG1 VAL A 6 -5.031 -0.495 0.659 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.347 1.598 1.006 1.00 1.00 C ATOM 0 H VAL A 6 -5.676 -1.447 4.030 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.568 0.372 2.729 1.00 1.00 H new ATOM 0 HB VAL A 6 -4.869 0.770 2.349 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -4.323 0.076 0.058 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -4.508 -1.307 1.164 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -5.805 -0.909 0.012 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.624 2.106 0.367 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.176 1.235 0.398 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -6.724 2.296 1.754 1.00 1.00 H new ATOM 87 N LYS A 7 -8.318 -1.527 1.226 1.00 1.00 N ATOM 88 CA LYS A 7 -8.821 -2.715 0.562 1.00 1.00 C ATOM 89 C LYS A 7 -7.923 -2.954 -0.641 1.00 1.00 C ATOM 90 O LYS A 7 -7.911 -2.160 -1.581 1.00 1.00 O ATOM 91 CB LYS A 7 -10.279 -2.526 0.125 1.00 1.00 C ATOM 92 CG LYS A 7 -11.017 -3.831 -0.147 1.00 1.00 C ATOM 93 CD LYS A 7 -11.572 -4.445 1.135 1.00 1.00 C ATOM 94 CE LYS A 7 -12.516 -5.603 0.837 1.00 1.00 C ATOM 95 NZ LYS A 7 -13.708 -5.607 1.735 1.00 1.00 N ATOM 0 H LYS A 7 -8.839 -0.670 1.039 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.807 -3.571 1.237 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.811 -1.974 0.899 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.301 -1.913 -0.776 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.833 -3.648 -0.846 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.340 -4.539 -0.626 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.749 -4.796 1.757 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.100 -3.682 1.706 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.845 -5.543 -0.200 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.978 -6.545 0.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.321 -6.412 1.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.397 -5.691 2.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.238 -4.720 1.613 1.00 1.00 H new ATOM 109 N CYS A 8 -7.172 -4.051 -0.617 1.00 1.00 N ATOM 110 CA CYS A 8 -6.231 -4.337 -1.696 1.00 1.00 C ATOM 111 C CYS A 8 -6.436 -5.710 -2.299 1.00 1.00 C ATOM 112 O CYS A 8 -6.998 -6.622 -1.695 1.00 1.00 O ATOM 113 CB CYS A 8 -4.766 -4.236 -1.205 1.00 1.00 C ATOM 114 SG CYS A 8 -4.264 -5.534 -0.024 1.00 1.00 S ATOM 0 H CYS A 8 -7.195 -4.748 0.127 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.424 -3.585 -2.461 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.104 -4.276 -2.070 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.621 -3.262 -0.737 1.00 1.00 H new ATOM 119 N SER A 9 -5.955 -5.804 -3.518 1.00 1.00 N ATOM 120 CA SER A 9 -5.985 -7.007 -4.303 1.00 1.00 C ATOM 121 C SER A 9 -4.766 -6.936 -5.211 1.00 1.00 C ATOM 122 O SER A 9 -4.598 -5.956 -5.931 1.00 1.00 O ATOM 123 CB SER A 9 -7.297 -7.030 -5.087 1.00 1.00 C ATOM 124 OG SER A 9 -7.106 -7.340 -6.461 1.00 1.00 O ATOM 0 H SER A 9 -5.520 -5.018 -4.001 1.00 1.00 H new ATOM 0 HA SER A 9 -5.947 -7.921 -3.710 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.969 -7.764 -4.642 1.00 1.00 H new ATOM 0 HB3 SER A 9 -7.784 -6.059 -5.002 1.00 1.00 H new ATOM 0 HG SER A 9 -7.972 -7.344 -6.919 1.00 1.00 H new ATOM 130 N GLY A 10 -3.929 -7.957 -5.202 1.00 1.00 N ATOM 131 CA GLY A 10 -2.721 -7.888 -6.003 1.00 1.00 C ATOM 132 C GLY A 10 -1.837 -6.726 -5.566 1.00 1.00 C ATOM 133 O GLY A 10 -2.272 -5.872 -4.795 1.00 1.00 O ATOM 0 H GLY A 10 -4.055 -8.817 -4.668 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -2.168 -8.823 -5.913 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.984 -7.773 -7.054 1.00 1.00 H new ATOM 137 N SER A 11 -0.603 -6.684 -6.054 1.00 1.00 N ATOM 138 CA SER A 11 0.336 -5.621 -5.683 1.00 1.00 C ATOM 139 C SER A 11 -0.085 -4.235 -6.208 1.00 1.00 C ATOM 140 O SER A 11 -0.136 -3.261 -5.450 1.00 1.00 O ATOM 141 CB SER A 11 1.741 -5.962 -6.194 1.00 1.00 C ATOM 142 OG SER A 11 1.847 -7.335 -6.536 1.00 1.00 O ATOM 0 H SER A 11 -0.225 -7.371 -6.707 1.00 1.00 H new ATOM 0 HA SER A 11 0.333 -5.565 -4.594 1.00 1.00 H new ATOM 0 HB2 SER A 11 1.972 -5.349 -7.065 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.478 -5.718 -5.429 1.00 1.00 H new ATOM 0 HG SER A 11 2.753 -7.522 -6.860 1.00 1.00 H new ATOM 148 N PRO A 12 -0.394 -4.126 -7.513 1.00 1.00 N ATOM 149 CA PRO A 12 -0.764 -2.848 -8.147 1.00 1.00 C ATOM 150 C PRO A 12 -1.923 -2.117 -7.478 1.00 1.00 C ATOM 151 O PRO A 12 -1.934 -0.888 -7.423 1.00 1.00 O ATOM 152 CB PRO A 12 -1.176 -3.268 -9.550 1.00 1.00 C ATOM 153 CG PRO A 12 -0.370 -4.492 -9.797 1.00 1.00 C ATOM 154 CD PRO A 12 -0.383 -5.226 -8.488 1.00 1.00 C ATOM 0 HA PRO A 12 0.065 -2.142 -8.090 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -2.245 -3.473 -9.610 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -0.959 -2.490 -10.282 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -0.802 -5.097 -10.595 1.00 1.00 H new ATOM 0 HG3 PRO A 12 0.646 -4.242 -10.101 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.260 -5.866 -8.389 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.493 -5.865 -8.371 1.00 1.00 H new ATOM 162 N GLN A 13 -2.903 -2.860 -6.982 1.00 1.00 N ATOM 163 CA GLN A 13 -4.057 -2.240 -6.340 1.00 1.00 C ATOM 164 C GLN A 13 -3.629 -1.418 -5.128 1.00 1.00 C ATOM 165 O GLN A 13 -4.246 -0.401 -4.823 1.00 1.00 O ATOM 166 CB GLN A 13 -5.084 -3.289 -5.942 1.00 1.00 C ATOM 167 CG GLN A 13 -6.464 -2.718 -5.641 1.00 1.00 C ATOM 168 CD GLN A 13 -7.481 -3.047 -6.720 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.850 -4.206 -6.910 1.00 1.00 O ATOM 170 NE2 GLN A 13 -7.937 -2.025 -7.436 1.00 1.00 N ATOM 0 H GLN A 13 -2.924 -3.879 -7.010 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.521 -1.566 -7.061 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -5.172 -4.021 -6.745 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.722 -3.822 -5.063 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -6.814 -3.109 -4.686 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.390 -1.636 -5.535 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -7.604 -1.080 -7.245 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -8.620 -2.186 -8.177 1.00 1.00 H new ATOM 179 N CYS A 14 -2.586 -1.873 -4.422 1.00 1.00 N ATOM 180 CA CYS A 14 -2.064 -1.127 -3.272 1.00 1.00 C ATOM 181 C CYS A 14 -1.153 0.003 -3.764 1.00 1.00 C ATOM 182 O CYS A 14 -0.919 0.988 -3.059 1.00 1.00 O ATOM 183 CB CYS A 14 -1.316 -2.043 -2.292 1.00 1.00 C ATOM 184 SG CYS A 14 -2.153 -2.245 -0.678 1.00 1.00 S ATOM 0 H CYS A 14 -2.093 -2.743 -4.624 1.00 1.00 H new ATOM 0 HA CYS A 14 -2.907 -0.700 -2.729 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -1.191 -3.024 -2.750 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.317 -1.640 -2.124 1.00 1.00 H new ATOM 189 N LEU A 15 -0.629 -0.143 -4.980 1.00 1.00 N ATOM 190 CA LEU A 15 0.199 0.899 -5.571 1.00 1.00 C ATOM 191 C LEU A 15 -0.612 2.194 -5.704 1.00 1.00 C ATOM 192 O LEU A 15 -0.065 3.292 -5.604 1.00 1.00 O ATOM 193 CB LEU A 15 0.728 0.450 -6.944 1.00 1.00 C ATOM 194 CG LEU A 15 2.241 0.225 -7.027 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.659 -0.066 -8.461 1.00 1.00 C ATOM 196 CD2 LEU A 15 2.995 1.433 -6.490 1.00 1.00 C ATOM 0 H LEU A 15 -0.763 -0.966 -5.568 1.00 1.00 H new ATOM 0 HA LEU A 15 1.054 1.084 -4.921 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.225 -0.476 -7.223 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.449 1.200 -7.684 1.00 1.00 H new ATOM 0 HG LEU A 15 2.492 -0.638 -6.410 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.737 -0.223 -8.501 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.148 -0.962 -8.814 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.392 0.778 -9.096 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.068 1.252 -6.558 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.737 2.314 -7.078 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.721 1.600 -5.448 1.00 1.00 H new ATOM 208 N LYS A 16 -1.923 2.052 -5.933 1.00 1.00 N ATOM 209 CA LYS A 16 -2.802 3.211 -6.096 1.00 1.00 C ATOM 210 C LYS A 16 -2.967 4.019 -4.804 1.00 1.00 C ATOM 211 O LYS A 16 -2.743 5.229 -4.811 1.00 1.00 O ATOM 212 CB LYS A 16 -4.173 2.773 -6.620 1.00 1.00 C ATOM 213 CG LYS A 16 -4.725 3.682 -7.714 1.00 1.00 C ATOM 214 CD LYS A 16 -5.991 3.110 -8.334 1.00 1.00 C ATOM 215 CE LYS A 16 -6.280 3.736 -9.690 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.660 3.430 -10.162 1.00 1.00 N ATOM 0 H LYS A 16 -2.394 1.151 -6.009 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.324 3.866 -6.824 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -4.098 1.757 -7.007 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -4.879 2.747 -5.790 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -4.937 4.667 -7.297 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -3.970 3.819 -8.488 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -5.887 2.031 -8.445 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.835 3.282 -7.665 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -6.150 4.816 -9.626 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -5.558 3.370 -10.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.816 3.875 -11.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -7.777 2.400 -10.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -8.351 3.801 -9.479 1.00 1.00 H new ATOM 230 N PRO A 17 -3.363 3.390 -3.675 1.00 1.00 N ATOM 231 CA PRO A 17 -3.505 4.122 -2.407 1.00 1.00 C ATOM 232 C PRO A 17 -2.199 4.819 -1.994 1.00 1.00 C ATOM 233 O PRO A 17 -2.201 5.976 -1.542 1.00 1.00 O ATOM 234 CB PRO A 17 -3.896 3.027 -1.388 1.00 1.00 C ATOM 235 CG PRO A 17 -3.635 1.723 -2.078 1.00 1.00 C ATOM 236 CD PRO A 17 -3.774 1.980 -3.549 1.00 1.00 C ATOM 0 HA PRO A 17 -4.242 4.922 -2.477 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.306 3.112 -0.475 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -4.944 3.115 -1.100 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -2.637 1.353 -1.842 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -4.343 0.962 -1.749 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.137 1.319 -4.137 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.797 1.825 -3.892 1.00 1.00 H new ATOM 244 N CYS A 18 -1.072 4.143 -2.214 1.00 1.00 N ATOM 245 CA CYS A 18 0.223 4.714 -1.854 1.00 1.00 C ATOM 246 C CYS A 18 0.631 5.825 -2.825 1.00 1.00 C ATOM 247 O CYS A 18 1.408 6.711 -2.469 1.00 1.00 O ATOM 248 CB CYS A 18 1.299 3.624 -1.791 1.00 1.00 C ATOM 249 SG CYS A 18 2.472 3.805 -0.399 1.00 1.00 S ATOM 0 H CYS A 18 -1.029 3.214 -2.633 1.00 1.00 H new ATOM 0 HA CYS A 18 0.127 5.158 -0.863 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.811 2.652 -1.716 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.859 3.628 -2.726 1.00 1.00 H new ATOM 254 N LYS A 19 0.110 5.779 -4.055 1.00 1.00 N ATOM 255 CA LYS A 19 0.425 6.802 -5.049 1.00 1.00 C ATOM 256 C LYS A 19 -0.106 8.158 -4.601 1.00 1.00 C ATOM 257 O LYS A 19 0.606 9.162 -4.643 1.00 1.00 O ATOM 258 CB LYS A 19 -0.163 6.443 -6.420 1.00 1.00 C ATOM 259 CG LYS A 19 0.148 7.471 -7.502 1.00 1.00 C ATOM 260 CD LYS A 19 -0.578 7.166 -8.804 1.00 1.00 C ATOM 261 CE LYS A 19 -0.250 8.193 -9.878 1.00 1.00 C ATOM 262 NZ LYS A 19 -1.432 8.512 -10.727 1.00 1.00 N ATOM 0 H LYS A 19 -0.525 5.051 -4.381 1.00 1.00 H new ATOM 0 HA LYS A 19 1.510 6.853 -5.142 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.224 5.472 -6.730 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.244 6.340 -6.327 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.137 8.463 -7.152 1.00 1.00 H new ATOM 0 HG3 LYS A 19 1.223 7.493 -7.683 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.300 6.171 -9.153 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -1.654 7.153 -8.628 1.00 1.00 H new ATOM 0 HE2 LYS A 19 0.115 9.106 -9.407 1.00 1.00 H new ATOM 0 HE3 LYS A 19 0.556 7.815 -10.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.164 9.215 -11.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -1.765 7.646 -11.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.193 8.897 -10.132 1.00 1.00 H new ATOM 276 N ASP A 20 -1.366 8.179 -4.172 1.00 1.00 N ATOM 277 CA ASP A 20 -1.988 9.410 -3.706 1.00 1.00 C ATOM 278 C ASP A 20 -1.370 9.863 -2.385 1.00 1.00 C ATOM 279 O ASP A 20 -1.442 11.042 -2.036 1.00 1.00 O ATOM 280 CB ASP A 20 -3.500 9.231 -3.550 1.00 1.00 C ATOM 281 CG ASP A 20 -4.259 10.532 -3.740 1.00 1.00 C ATOM 282 OD1 ASP A 20 -3.652 11.608 -3.553 1.00 1.00 O ATOM 283 OD2 ASP A 20 -5.461 10.476 -4.079 1.00 1.00 O ATOM 0 H ASP A 20 -1.972 7.359 -4.138 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.807 10.181 -4.455 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.853 8.498 -4.275 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.715 8.829 -2.560 1.00 1.00 H new ATOM 288 N ALA A 21 -0.757 8.928 -1.649 1.00 1.00 N ATOM 289 CA ALA A 21 -0.126 9.278 -0.375 1.00 1.00 C ATOM 290 C ALA A 21 1.235 9.972 -0.568 1.00 1.00 C ATOM 291 O ALA A 21 1.832 10.446 0.401 1.00 1.00 O ATOM 292 CB ALA A 21 0.037 8.034 0.485 1.00 1.00 C ATOM 0 H ALA A 21 -0.686 7.944 -1.908 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.782 9.988 0.129 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.507 8.304 1.430 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.942 7.595 0.679 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.662 7.310 -0.037 1.00 1.00 H new ATOM 298 N GLY A 22 1.725 10.038 -1.809 1.00 1.00 N ATOM 299 CA GLY A 22 2.989 10.715 -2.077 1.00 1.00 C ATOM 300 C GLY A 22 4.229 9.926 -1.673 1.00 1.00 C ATOM 301 O GLY A 22 5.311 10.501 -1.549 1.00 1.00 O ATOM 0 H GLY A 22 1.272 9.637 -2.630 1.00 1.00 H new ATOM 0 HA2 GLY A 22 3.048 10.939 -3.142 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.994 11.669 -1.550 1.00 1.00 H new ATOM 305 N MET A 23 4.086 8.621 -1.466 1.00 1.00 N ATOM 306 CA MET A 23 5.223 7.782 -1.078 1.00 1.00 C ATOM 307 C MET A 23 5.643 6.860 -2.227 1.00 1.00 C ATOM 308 O MET A 23 5.076 6.923 -3.318 1.00 1.00 O ATOM 309 CB MET A 23 4.872 6.958 0.161 1.00 1.00 C ATOM 310 CG MET A 23 4.640 7.801 1.407 1.00 1.00 C ATOM 311 SD MET A 23 6.039 8.872 1.799 1.00 1.00 S ATOM 312 CE MET A 23 5.232 10.143 2.772 1.00 1.00 C ATOM 0 H MET A 23 3.202 8.121 -1.559 1.00 1.00 H new ATOM 0 HA MET A 23 6.063 8.435 -0.843 1.00 1.00 H new ATOM 0 HB2 MET A 23 3.975 6.373 -0.044 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.677 6.250 0.356 1.00 1.00 H new ATOM 0 HG2 MET A 23 3.749 8.413 1.265 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.444 7.143 2.254 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.969 10.881 3.089 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.466 10.631 2.170 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.770 9.691 3.650 1.00 1.00 H new ATOM 322 N ARG A 24 6.643 6.008 -1.982 1.00 1.00 N ATOM 323 CA ARG A 24 7.128 5.082 -3.008 1.00 1.00 C ATOM 324 C ARG A 24 7.119 3.630 -2.509 1.00 1.00 C ATOM 325 O ARG A 24 7.257 3.373 -1.313 1.00 1.00 O ATOM 326 CB ARG A 24 8.553 5.463 -3.437 1.00 1.00 C ATOM 327 CG ARG A 24 8.667 6.829 -4.104 1.00 1.00 C ATOM 328 CD ARG A 24 10.082 7.084 -4.612 1.00 1.00 C ATOM 329 NE ARG A 24 10.309 8.492 -4.949 1.00 1.00 N ATOM 330 CZ ARG A 24 11.368 8.936 -5.632 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.297 8.092 -6.066 1.00 1.00 N ATOM 332 NH2 ARG A 24 11.498 10.233 -5.883 1.00 1.00 N ATOM 0 H ARG A 24 7.129 5.941 -1.088 1.00 1.00 H new ATOM 0 HA ARG A 24 6.453 5.157 -3.861 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.200 5.446 -2.560 1.00 1.00 H new ATOM 0 HB3 ARG A 24 8.927 4.704 -4.124 1.00 1.00 H new ATOM 0 HG2 ARG A 24 7.964 6.890 -4.935 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.388 7.607 -3.393 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.799 6.775 -3.852 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.266 6.468 -5.492 1.00 1.00 H new ATOM 0 HE ARG A 24 9.616 9.175 -4.643 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.206 7.093 -5.879 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.101 8.442 -6.586 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.790 10.890 -5.555 1.00 1.00 H new ATOM 0 HH22 ARG A 24 12.306 10.573 -6.404 1.00 1.00 H new ATOM 346 N PHE A 25 6.969 2.690 -3.449 1.00 1.00 N ATOM 347 CA PHE A 25 6.961 1.249 -3.146 1.00 1.00 C ATOM 348 C PHE A 25 5.855 0.853 -2.155 1.00 1.00 C ATOM 349 O PHE A 25 5.542 1.591 -1.218 1.00 1.00 O ATOM 350 CB PHE A 25 8.325 0.818 -2.598 1.00 1.00 C ATOM 351 CG PHE A 25 9.479 1.135 -3.514 1.00 1.00 C ATOM 352 CD1 PHE A 25 9.901 0.218 -4.465 1.00 1.00 C ATOM 353 CD2 PHE A 25 10.143 2.349 -3.421 1.00 1.00 C ATOM 354 CE1 PHE A 25 10.962 0.506 -5.305 1.00 1.00 C ATOM 355 CE2 PHE A 25 11.204 2.642 -4.258 1.00 1.00 C ATOM 356 CZ PHE A 25 11.614 1.720 -5.202 1.00 1.00 C ATOM 0 H PHE A 25 6.850 2.903 -4.439 1.00 1.00 H new ATOM 0 HA PHE A 25 6.754 0.732 -4.083 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.491 1.307 -1.638 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.307 -0.256 -2.410 1.00 1.00 H new ATOM 0 HD1 PHE A 25 9.395 -0.732 -4.551 1.00 1.00 H new ATOM 0 HD2 PHE A 25 9.828 3.075 -2.686 1.00 1.00 H new ATOM 0 HE1 PHE A 25 11.280 -0.218 -6.041 1.00 1.00 H new ATOM 0 HE2 PHE A 25 11.712 3.591 -4.174 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.442 1.948 -5.857 1.00 1.00 H new ATOM 366 N GLY A 26 5.278 -0.340 -2.375 1.00 1.00 N ATOM 367 CA GLY A 26 4.215 -0.846 -1.510 1.00 1.00 C ATOM 368 C GLY A 26 3.906 -2.323 -1.752 1.00 1.00 C ATOM 369 O GLY A 26 4.564 -2.974 -2.565 1.00 1.00 O ATOM 0 H GLY A 26 5.532 -0.964 -3.141 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.503 -0.706 -0.468 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.311 -0.259 -1.672 1.00 1.00 H new ATOM 373 N LYS A 27 2.899 -2.854 -1.043 1.00 1.00 N ATOM 374 CA LYS A 27 2.505 -4.265 -1.185 1.00 1.00 C ATOM 375 C LYS A 27 1.077 -4.502 -0.664 1.00 1.00 C ATOM 376 O LYS A 27 0.436 -3.581 -0.157 1.00 1.00 O ATOM 377 CB LYS A 27 3.501 -5.168 -0.444 1.00 1.00 C ATOM 378 CG LYS A 27 4.510 -5.844 -1.363 1.00 1.00 C ATOM 379 CD LYS A 27 5.882 -5.963 -0.705 1.00 1.00 C ATOM 380 CE LYS A 27 6.761 -6.977 -1.424 1.00 1.00 C ATOM 381 NZ LYS A 27 7.493 -7.856 -0.470 1.00 1.00 N ATOM 0 H LYS A 27 2.343 -2.330 -0.367 1.00 1.00 H new ATOM 0 HA LYS A 27 2.519 -4.515 -2.246 1.00 1.00 H new ATOM 0 HB2 LYS A 27 4.037 -4.573 0.296 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.949 -5.933 0.101 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.149 -6.836 -1.633 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.598 -5.274 -2.288 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.373 -4.990 -0.706 1.00 1.00 H new ATOM 0 HD3 LYS A 27 5.762 -6.258 0.337 1.00 1.00 H new ATOM 0 HE2 LYS A 27 6.144 -7.590 -2.082 1.00 1.00 H new ATOM 0 HE3 LYS A 27 7.477 -6.452 -2.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.080 -8.531 -1.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.101 -7.274 0.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 6.810 -8.377 0.116 1.00 1.00 H new ATOM 395 N CYS A 28 0.583 -5.743 -0.791 1.00 1.00 N ATOM 396 CA CYS A 28 -0.774 -6.085 -0.340 1.00 1.00 C ATOM 397 C CYS A 28 -0.784 -7.367 0.510 1.00 1.00 C ATOM 398 O CYS A 28 0.071 -8.238 0.349 1.00 1.00 O ATOM 399 CB CYS A 28 -1.705 -6.242 -1.555 1.00 1.00 C ATOM 400 SG CYS A 28 -3.364 -6.932 -1.193 1.00 1.00 S ATOM 0 H CYS A 28 1.099 -6.522 -1.200 1.00 1.00 H new ATOM 0 HA CYS A 28 -1.134 -5.271 0.289 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.831 -5.266 -2.023 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.215 -6.885 -2.286 1.00 1.00 H new ATOM 405 N MET A 29 -1.768 -7.469 1.412 1.00 1.00 N ATOM 406 CA MET A 29 -1.910 -8.643 2.281 1.00 1.00 C ATOM 407 C MET A 29 -3.329 -8.744 2.854 1.00 1.00 C ATOM 408 O MET A 29 -3.809 -7.815 3.499 1.00 1.00 O ATOM 409 CB MET A 29 -0.894 -8.591 3.428 1.00 1.00 C ATOM 410 CG MET A 29 0.365 -9.402 3.169 1.00 1.00 C ATOM 411 SD MET A 29 0.029 -11.151 2.881 1.00 1.00 S ATOM 412 CE MET A 29 -0.260 -11.730 4.552 1.00 1.00 C ATOM 0 H MET A 29 -2.478 -6.752 1.559 1.00 1.00 H new ATOM 0 HA MET A 29 -1.719 -9.527 1.672 1.00 1.00 H new ATOM 0 HB2 MET A 29 -0.616 -7.553 3.608 1.00 1.00 H new ATOM 0 HB3 MET A 29 -1.369 -8.956 4.339 1.00 1.00 H new ATOM 0 HG2 MET A 29 0.884 -8.990 2.304 1.00 1.00 H new ATOM 0 HG3 MET A 29 1.037 -9.302 4.022 1.00 1.00 H new ATOM 0 HE1 MET A 29 -0.481 -12.797 4.534 1.00 1.00 H new ATOM 0 HE2 MET A 29 0.629 -11.554 5.157 1.00 1.00 H new ATOM 0 HE3 MET A 29 -1.104 -11.192 4.983 1.00 1.00 H new ATOM 422 N ASN A 30 -3.985 -9.885 2.615 1.00 1.00 N ATOM 423 CA ASN A 30 -5.350 -10.148 3.103 1.00 1.00 C ATOM 424 C ASN A 30 -6.281 -8.926 2.976 1.00 1.00 C ATOM 425 O ASN A 30 -6.976 -8.777 1.971 1.00 1.00 O ATOM 426 CB ASN A 30 -5.309 -10.650 4.556 1.00 1.00 C ATOM 427 CG ASN A 30 -5.597 -12.138 4.666 1.00 1.00 C ATOM 428 OD1 ASN A 30 -6.459 -12.670 3.964 1.00 1.00 O ATOM 429 ND2 ASN A 30 -4.879 -12.818 5.553 1.00 1.00 N ATOM 0 H ASN A 30 -3.587 -10.655 2.077 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.770 -10.924 2.464 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.328 -10.441 4.982 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -6.038 -10.097 5.149 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -5.032 -13.819 5.673 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -4.175 -12.339 6.114 1.00 1.00 H new ATOM 436 N ARG A 31 -6.297 -8.058 3.995 1.00 1.00 N ATOM 437 CA ARG A 31 -7.158 -6.876 3.978 1.00 1.00 C ATOM 438 C ARG A 31 -6.395 -5.622 4.434 1.00 1.00 C ATOM 439 O ARG A 31 -6.992 -4.683 4.962 1.00 1.00 O ATOM 440 CB ARG A 31 -8.380 -7.106 4.884 1.00 1.00 C ATOM 441 CG ARG A 31 -9.080 -8.443 4.657 1.00 1.00 C ATOM 442 CD ARG A 31 -10.278 -8.618 5.585 1.00 1.00 C ATOM 443 NE ARG A 31 -10.701 -10.018 5.688 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.798 -10.425 6.333 1.00 1.00 C ATOM 445 NH1 ARG A 31 -12.600 -9.546 6.927 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.096 -11.717 6.385 1.00 1.00 N ATOM 0 H ARG A 31 -5.726 -8.153 4.835 1.00 1.00 H new ATOM 0 HA ARG A 31 -7.490 -6.714 2.953 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -8.063 -7.046 5.925 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -9.096 -6.301 4.721 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.410 -8.509 3.620 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.372 -9.256 4.819 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -10.025 -8.243 6.577 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -11.109 -8.015 5.219 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.121 -10.726 5.239 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -12.380 -8.551 6.893 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -13.435 -9.867 7.417 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -11.488 -12.399 5.933 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.933 -12.028 6.877 1.00 1.00 H new ATOM 460 N LYS A 32 -5.074 -5.616 4.229 1.00 1.00 N ATOM 461 CA LYS A 32 -4.221 -4.486 4.633 1.00 1.00 C ATOM 462 C LYS A 32 -3.201 -4.121 3.540 1.00 1.00 C ATOM 463 O LYS A 32 -2.908 -4.929 2.658 1.00 1.00 O ATOM 464 CB LYS A 32 -3.501 -4.811 5.950 1.00 1.00 C ATOM 465 CG LYS A 32 -4.108 -4.114 7.162 1.00 1.00 C ATOM 466 CD LYS A 32 -4.178 -5.038 8.371 1.00 1.00 C ATOM 467 CE LYS A 32 -5.359 -4.695 9.269 1.00 1.00 C ATOM 468 NZ LYS A 32 -5.449 -5.605 10.446 1.00 1.00 N ATOM 0 H LYS A 32 -4.568 -6.382 3.785 1.00 1.00 H new ATOM 0 HA LYS A 32 -4.866 -3.620 4.781 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.524 -5.889 6.111 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.453 -4.524 5.863 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -3.514 -3.235 7.411 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.110 -3.762 6.915 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -4.263 -6.072 8.036 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.252 -4.963 8.941 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.265 -3.665 9.613 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.282 -4.756 8.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.266 -5.337 11.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -5.564 -6.585 10.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.579 -5.529 11.011 1.00 1.00 H new ATOM 482 N CYS A 33 -2.662 -2.895 3.613 1.00 1.00 N ATOM 483 CA CYS A 33 -1.684 -2.406 2.627 1.00 1.00 C ATOM 484 C CYS A 33 -0.283 -2.260 3.232 1.00 1.00 C ATOM 485 O CYS A 33 -0.113 -2.278 4.451 1.00 1.00 O ATOM 486 CB CYS A 33 -2.064 -1.009 2.146 1.00 1.00 C ATOM 487 SG CYS A 33 -1.565 -0.632 0.421 1.00 1.00 S ATOM 0 H CYS A 33 -2.887 -2.222 4.346 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.685 -3.138 1.819 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.144 -0.891 2.232 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.609 -0.274 2.810 1.00 1.00 H new ATOM 492 N HIS A 34 0.712 -2.117 2.357 1.00 1.00 N ATOM 493 CA HIS A 34 2.091 -1.882 2.777 1.00 1.00 C ATOM 494 C HIS A 34 2.643 -0.635 2.065 1.00 1.00 C ATOM 495 O HIS A 34 2.654 -0.584 0.836 1.00 1.00 O ATOM 496 CB HIS A 34 2.964 -3.103 2.468 1.00 1.00 C ATOM 497 CG HIS A 34 3.878 -3.492 3.592 1.00 1.00 C ATOM 498 ND1 HIS A 34 3.976 -4.782 4.071 1.00 1.00 N ATOM 499 CD2 HIS A 34 4.742 -2.754 4.331 1.00 1.00 C ATOM 500 CE1 HIS A 34 4.856 -4.823 5.056 1.00 1.00 C ATOM 501 NE2 HIS A 34 5.337 -3.605 5.232 1.00 1.00 N ATOM 0 H HIS A 34 0.586 -2.160 1.346 1.00 1.00 H new ATOM 0 HA HIS A 34 2.109 -1.716 3.854 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.319 -3.948 2.227 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.562 -2.896 1.581 1.00 1.00 H new ATOM 0 HD2 HIS A 34 4.928 -1.695 4.231 1.00 1.00 H new ATOM 0 HE1 HIS A 34 5.134 -5.701 5.620 1.00 1.00 H new ATOM 0 HE2 HIS A 34 6.037 -3.339 5.925 1.00 1.00 H new ATOM 509 N CYS A 35 3.101 0.367 2.823 1.00 1.00 N ATOM 510 CA CYS A 35 3.658 1.585 2.216 1.00 1.00 C ATOM 511 C CYS A 35 5.072 1.861 2.748 1.00 1.00 C ATOM 512 O CYS A 35 5.325 1.693 3.941 1.00 1.00 O ATOM 513 CB CYS A 35 2.769 2.806 2.478 1.00 1.00 C ATOM 514 SG CYS A 35 1.472 3.069 1.215 1.00 1.00 S ATOM 0 H CYS A 35 3.099 0.362 3.843 1.00 1.00 H new ATOM 0 HA CYS A 35 3.702 1.414 1.140 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.295 2.694 3.453 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.397 3.695 2.529 1.00 1.00 H new ATOM 519 N THR A 36 5.995 2.285 1.875 1.00 1.00 N ATOM 520 CA THR A 36 7.368 2.575 2.314 1.00 1.00 C ATOM 521 C THR A 36 7.741 4.055 2.114 1.00 1.00 C ATOM 522 O THR A 36 7.985 4.486 0.987 1.00 1.00 O ATOM 523 CB THR A 36 8.392 1.706 1.556 1.00 1.00 C ATOM 524 OG1 THR A 36 7.959 0.342 1.535 1.00 1.00 O ATOM 525 CG2 THR A 36 9.767 1.795 2.206 1.00 1.00 C ATOM 0 H THR A 36 5.823 2.433 0.881 1.00 1.00 H new ATOM 0 HA THR A 36 7.400 2.343 3.378 1.00 1.00 H new ATOM 0 HB THR A 36 8.464 2.080 0.535 1.00 1.00 H new ATOM 0 HG1 THR A 36 8.614 -0.202 1.050 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.472 1.174 1.653 1.00 1.00 H new ATOM 0 HG22 THR A 36 10.109 2.830 2.194 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.706 1.445 3.237 1.00 1.00 H new ATOM 533 N PRO A 37 7.794 4.855 3.208 1.00 1.00 N ATOM 534 CA PRO A 37 8.153 6.279 3.138 1.00 1.00 C ATOM 535 C PRO A 37 9.661 6.513 2.957 1.00 1.00 C ATOM 536 O PRO A 37 10.473 5.668 3.335 1.00 1.00 O ATOM 537 CB PRO A 37 7.686 6.827 4.482 1.00 1.00 C ATOM 538 CG PRO A 37 7.805 5.673 5.415 1.00 1.00 C ATOM 539 CD PRO A 37 7.504 4.441 4.601 1.00 1.00 C ATOM 0 HA PRO A 37 7.695 6.764 2.276 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.304 7.665 4.806 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.660 7.190 4.428 1.00 1.00 H new ATOM 0 HG2 PRO A 37 8.806 5.621 5.844 1.00 1.00 H new ATOM 0 HG3 PRO A 37 7.106 5.771 6.246 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.126 3.599 4.905 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.466 4.129 4.717 1.00 1.00 H new ATOM 547 N LYS A 38 10.033 7.664 2.380 1.00 1.00 N ATOM 548 CA LYS A 38 11.449 8.004 2.165 1.00 1.00 C ATOM 549 C LYS A 38 12.265 7.835 3.449 1.00 1.00 C ATOM 550 O LYS A 38 12.110 8.675 4.363 1.00 1.00 O ATOM 551 CB LYS A 38 11.591 9.446 1.661 1.00 1.00 C ATOM 552 CG LYS A 38 13.034 9.857 1.379 1.00 1.00 C ATOM 553 CD LYS A 38 13.258 11.344 1.617 1.00 1.00 C ATOM 554 CE LYS A 38 14.739 11.697 1.573 1.00 1.00 C ATOM 555 NZ LYS A 38 15.032 12.974 2.284 1.00 1.00 N ATOM 556 OXT LYS A 38 13.054 6.870 3.528 1.00 1.00 O ATOM 0 H LYS A 38 9.377 8.374 2.054 1.00 1.00 H new ATOM 0 HA LYS A 38 11.835 7.317 1.412 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.004 9.563 0.750 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.167 10.124 2.402 1.00 1.00 H new ATOM 0 HG2 LYS A 38 13.706 9.282 2.016 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.286 9.613 0.347 1.00 1.00 H new ATOM 0 HD2 LYS A 38 12.723 11.920 0.862 1.00 1.00 H new ATOM 0 HD3 LYS A 38 12.844 11.625 2.585 1.00 1.00 H new ATOM 0 HE2 LYS A 38 15.317 10.890 2.024 1.00 1.00 H new ATOM 0 HE3 LYS A 38 15.061 11.778 0.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 16.051 13.176 2.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 14.501 13.749 1.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 14.749 12.889 3.281 1.00 1.00 H new TER 570 LYS A 38