USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 279 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 9 HIS : no HD1:sc= -0.377 K(o=-1.6,f=-3.3) USER MOD Set 1.3: A 12 GLN : amide:sc= -1.27 K(o=-1.6,f=-3.6) USER MOD Single : A 4 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.092) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0582 (180deg=-0.367) USER MOD Single : A 10 SER OG : rot 180:sc= 0.004 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0466) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.0112 (180deg=-0.0827) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.725 X(o=-0.73,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= 0.984 (180deg=-0.0324) USER MOD ----------------------------------------------------------------- ATOM 19 N GLY A 2 -2.544 -4.629 -4.892 1.00 0.00 N ATOM 20 CA GLY A 2 -1.130 -4.323 -4.889 1.00 0.00 C ATOM 21 C GLY A 2 -0.818 -3.097 -5.717 1.00 0.00 C ATOM 22 O GLY A 2 -1.401 -2.895 -6.782 1.00 0.00 O ATOM 0 HA2 GLY A 2 -0.795 -4.164 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.573 -5.175 -5.278 1.00 0.00 H new ATOM 26 N ILE A 3 0.096 -2.277 -5.231 1.00 0.00 N ATOM 27 CA ILE A 3 0.465 -1.051 -5.910 1.00 0.00 C ATOM 28 C ILE A 3 1.924 -1.113 -6.337 1.00 0.00 C ATOM 29 O ILE A 3 2.683 -1.947 -5.845 1.00 0.00 O ATOM 30 CB ILE A 3 0.226 0.178 -5.006 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.849 -0.041 -3.623 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.265 0.462 -4.888 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.611 1.100 -2.656 1.00 0.00 C ATOM 0 H ILE A 3 0.600 -2.442 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.164 -0.947 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 3 0.707 1.044 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.445 -0.958 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.923 -0.189 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.420 1.331 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.677 0.662 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.767 -0.403 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.082 0.871 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.040 2.016 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.461 1.235 -2.509 1.00 0.00 H new ATOM 45 N ASN A 4 2.309 -0.234 -7.253 1.00 0.00 N ATOM 46 CA ASN A 4 3.667 -0.231 -7.819 1.00 0.00 C ATOM 47 C ASN A 4 4.687 0.376 -6.852 1.00 0.00 C ATOM 48 O ASN A 4 5.669 0.996 -7.264 1.00 0.00 O ATOM 49 CB ASN A 4 3.702 0.525 -9.161 1.00 0.00 C ATOM 50 CG ASN A 4 3.609 2.044 -9.038 1.00 0.00 C ATOM 51 OD1 ASN A 4 4.195 2.770 -9.840 1.00 0.00 O ATOM 52 ND2 ASN A 4 2.871 2.542 -8.054 1.00 0.00 N ATOM 0 H ASN A 4 1.701 0.494 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 4 3.942 -1.272 -7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.626 0.272 -9.682 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.879 0.173 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.778 3.552 -7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.397 1.915 -7.404 1.00 0.00 H new ATOM 59 N VAL A 5 4.461 0.167 -5.568 1.00 0.00 N ATOM 60 CA VAL A 5 5.291 0.750 -4.532 1.00 0.00 C ATOM 61 C VAL A 5 6.006 -0.355 -3.765 1.00 0.00 C ATOM 62 O VAL A 5 5.517 -1.483 -3.689 1.00 0.00 O ATOM 63 CB VAL A 5 4.433 1.583 -3.550 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.301 2.357 -2.567 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.520 2.528 -4.310 1.00 0.00 C ATOM 0 H VAL A 5 3.698 -0.411 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 5 6.023 1.406 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 5 3.820 0.888 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.665 2.930 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.906 1.659 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.954 3.036 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.924 3.105 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.121 3.206 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.858 1.952 -4.957 1.00 0.00 H new ATOM 75 N LYS A 6 7.168 -0.036 -3.226 1.00 0.00 N ATOM 76 CA LYS A 6 7.905 -0.963 -2.389 1.00 0.00 C ATOM 77 C LYS A 6 7.876 -0.489 -0.941 1.00 0.00 C ATOM 78 O LYS A 6 7.881 0.715 -0.675 1.00 0.00 O ATOM 79 CB LYS A 6 9.342 -1.102 -2.892 1.00 0.00 C ATOM 80 CG LYS A 6 9.443 -1.853 -4.212 1.00 0.00 C ATOM 81 CD LYS A 6 10.872 -1.907 -4.732 1.00 0.00 C ATOM 82 CE LYS A 6 11.341 -0.550 -5.239 1.00 0.00 C ATOM 83 NZ LYS A 6 10.541 -0.089 -6.405 1.00 0.00 N ATOM 0 H LYS A 6 7.625 0.867 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 6 7.434 -1.945 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.776 -0.109 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.935 -1.621 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.067 -2.868 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.806 -1.370 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.535 -2.247 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.938 -2.639 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.268 0.183 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.392 -0.611 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.066 0.649 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.362 -0.891 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.635 0.298 -6.073 1.00 0.00 H new ATOM 97 N CYS A 7 7.832 -1.439 -0.014 1.00 0.00 N ATOM 98 CA CYS A 7 7.680 -1.118 1.400 1.00 0.00 C ATOM 99 C CYS A 7 8.927 -0.439 1.962 1.00 0.00 C ATOM 100 O CYS A 7 9.896 -1.106 2.325 1.00 0.00 O ATOM 101 CB CYS A 7 7.379 -2.378 2.220 1.00 0.00 C ATOM 102 SG CYS A 7 7.607 -2.152 4.021 1.00 0.00 S ATOM 0 H CYS A 7 7.899 -2.437 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 7 6.841 -0.426 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.352 -2.689 2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.026 -3.186 1.879 1.00 0.00 H new ATOM 107 N LYS A 8 8.922 0.888 1.989 1.00 0.00 N ATOM 108 CA LYS A 8 9.919 1.626 2.732 1.00 0.00 C ATOM 109 C LYS A 8 9.380 1.899 4.127 1.00 0.00 C ATOM 110 O LYS A 8 10.080 1.757 5.126 1.00 0.00 O ATOM 111 CB LYS A 8 10.264 2.932 2.011 1.00 0.00 C ATOM 112 CG LYS A 8 10.957 2.717 0.673 1.00 0.00 C ATOM 113 CD LYS A 8 11.192 4.028 -0.065 1.00 0.00 C ATOM 114 CE LYS A 8 9.888 4.650 -0.542 1.00 0.00 C ATOM 115 NZ LYS A 8 10.111 5.915 -1.291 1.00 0.00 N ATOM 0 H LYS A 8 8.238 1.468 1.504 1.00 0.00 H new ATOM 0 HA LYS A 8 10.836 1.041 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.349 3.503 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.907 3.534 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.911 2.216 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.352 2.056 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.709 4.727 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.845 3.852 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.361 3.940 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.245 4.846 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.196 6.303 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.591 6.603 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.702 5.725 -2.125 1.00 0.00 H new ATOM 129 N HIS A 9 8.106 2.284 4.170 1.00 0.00 N ATOM 130 CA HIS A 9 7.406 2.577 5.419 1.00 0.00 C ATOM 131 C HIS A 9 5.940 2.212 5.246 1.00 0.00 C ATOM 132 O HIS A 9 5.294 2.681 4.308 1.00 0.00 O ATOM 133 CB HIS A 9 7.510 4.069 5.777 1.00 0.00 C ATOM 134 CG HIS A 9 8.905 4.604 5.759 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.519 5.033 4.603 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.823 4.737 6.741 1.00 0.00 C ATOM 137 CE1 HIS A 9 10.753 5.395 4.872 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.966 5.231 6.164 1.00 0.00 N ATOM 0 H HIS A 9 7.529 2.402 3.337 1.00 0.00 H new ATOM 0 HA HIS A 9 7.862 1.998 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.903 4.643 5.077 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.085 4.224 6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.684 4.499 7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.472 5.765 4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.837 5.437 6.653 1.00 0.00 H new ATOM 147 N SER A 10 5.418 1.386 6.140 1.00 0.00 N ATOM 148 CA SER A 10 4.039 0.922 6.041 1.00 0.00 C ATOM 149 C SER A 10 3.054 2.075 6.255 1.00 0.00 C ATOM 150 O SER A 10 1.901 2.013 5.829 1.00 0.00 O ATOM 151 CB SER A 10 3.802 -0.206 7.049 1.00 0.00 C ATOM 152 OG SER A 10 4.278 0.157 8.335 1.00 0.00 O ATOM 0 H SER A 10 5.928 1.022 6.945 1.00 0.00 H new ATOM 0 HA SER A 10 3.868 0.534 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.738 -0.434 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.306 -1.112 6.712 1.00 0.00 H new ATOM 0 HG SER A 10 4.115 -0.577 8.963 1.00 0.00 H new ATOM 158 N GLY A 11 3.520 3.131 6.913 1.00 0.00 N ATOM 159 CA GLY A 11 2.721 4.333 7.045 1.00 0.00 C ATOM 160 C GLY A 11 2.701 5.128 5.756 1.00 0.00 C ATOM 161 O GLY A 11 1.684 5.715 5.391 1.00 0.00 O ATOM 0 H GLY A 11 4.437 3.175 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.702 4.065 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.121 4.951 7.849 1.00 0.00 H new ATOM 165 N GLN A 12 3.828 5.119 5.052 1.00 0.00 N ATOM 166 CA GLN A 12 3.947 5.815 3.775 1.00 0.00 C ATOM 167 C GLN A 12 3.139 5.097 2.709 1.00 0.00 C ATOM 168 O GLN A 12 2.611 5.716 1.790 1.00 0.00 O ATOM 169 CB GLN A 12 5.416 5.890 3.346 1.00 0.00 C ATOM 170 CG GLN A 12 5.616 6.462 1.955 1.00 0.00 C ATOM 171 CD GLN A 12 7.071 6.496 1.538 1.00 0.00 C ATOM 172 OE1 GLN A 12 7.398 6.319 0.368 1.00 0.00 O ATOM 173 NE2 GLN A 12 7.956 6.752 2.488 1.00 0.00 N ATOM 0 H GLN A 12 4.676 4.635 5.346 1.00 0.00 H new ATOM 0 HA GLN A 12 3.560 6.827 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.964 6.501 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.848 4.890 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.051 5.867 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.209 7.473 1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.646 6.893 3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.948 6.808 2.259 1.00 0.00 H new ATOM 182 N CYS A 13 3.021 3.788 2.869 1.00 0.00 N ATOM 183 CA CYS A 13 2.360 2.935 1.892 1.00 0.00 C ATOM 184 C CYS A 13 0.890 3.320 1.735 1.00 0.00 C ATOM 185 O CYS A 13 0.256 3.007 0.730 1.00 0.00 O ATOM 186 CB CYS A 13 2.483 1.476 2.331 1.00 0.00 C ATOM 187 SG CYS A 13 2.089 0.271 1.031 1.00 0.00 S ATOM 0 H CYS A 13 3.381 3.286 3.681 1.00 0.00 H new ATOM 0 HA CYS A 13 2.844 3.067 0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.500 1.298 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.821 1.307 3.180 1.00 0.00 H new ATOM 192 N LEU A 14 0.368 4.028 2.726 1.00 0.00 N ATOM 193 CA LEU A 14 -1.020 4.465 2.720 1.00 0.00 C ATOM 194 C LEU A 14 -1.246 5.582 1.706 1.00 0.00 C ATOM 195 O LEU A 14 -2.324 5.691 1.122 1.00 0.00 O ATOM 196 CB LEU A 14 -1.421 4.945 4.112 1.00 0.00 C ATOM 197 CG LEU A 14 -2.158 3.922 4.983 1.00 0.00 C ATOM 198 CD1 LEU A 14 -1.326 2.664 5.170 1.00 0.00 C ATOM 199 CD2 LEU A 14 -2.505 4.532 6.331 1.00 0.00 C ATOM 0 H LEU A 14 0.892 4.314 3.553 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.639 3.615 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.521 5.262 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.054 5.825 4.004 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.081 3.644 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.873 1.955 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.124 2.214 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.384 2.920 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.028 3.795 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.590 4.838 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.146 5.401 6.183 1.00 0.00 H new ATOM 211 N LYS A 15 -0.223 6.403 1.501 1.00 0.00 N ATOM 212 CA LYS A 15 -0.315 7.553 0.601 1.00 0.00 C ATOM 213 C LYS A 15 -0.677 7.136 -0.835 1.00 0.00 C ATOM 214 O LYS A 15 -1.673 7.611 -1.375 1.00 0.00 O ATOM 215 CB LYS A 15 0.988 8.363 0.615 1.00 0.00 C ATOM 216 CG LYS A 15 1.299 9.006 1.957 1.00 0.00 C ATOM 217 CD LYS A 15 2.688 9.630 1.967 1.00 0.00 C ATOM 218 CE LYS A 15 2.816 10.752 0.944 1.00 0.00 C ATOM 219 NZ LYS A 15 1.965 11.923 1.285 1.00 0.00 N ATOM 0 H LYS A 15 0.687 6.295 1.948 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.123 8.185 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.814 7.709 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.928 9.142 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.554 9.770 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.230 8.257 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.903 10.020 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.432 8.862 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.857 11.068 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.537 10.377 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.184 12.710 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.963 11.664 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.153 12.215 2.265 1.00 0.00 H new ATOM 233 N PRO A 16 0.099 6.245 -1.488 1.00 0.00 N ATOM 234 CA PRO A 16 -0.221 5.810 -2.849 1.00 0.00 C ATOM 235 C PRO A 16 -1.367 4.799 -2.878 1.00 0.00 C ATOM 236 O PRO A 16 -1.988 4.572 -3.918 1.00 0.00 O ATOM 237 CB PRO A 16 1.079 5.167 -3.328 1.00 0.00 C ATOM 238 CG PRO A 16 1.733 4.663 -2.088 1.00 0.00 C ATOM 239 CD PRO A 16 1.332 5.602 -0.984 1.00 0.00 C ATOM 0 HA PRO A 16 -0.557 6.635 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.884 4.356 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.712 5.890 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.413 3.645 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.817 4.639 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.150 5.067 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.111 6.337 -0.783 1.00 0.00 H new ATOM 247 N CYS A 17 -1.653 4.208 -1.727 1.00 0.00 N ATOM 248 CA CYS A 17 -2.667 3.168 -1.635 1.00 0.00 C ATOM 249 C CYS A 17 -4.070 3.766 -1.576 1.00 0.00 C ATOM 250 O CYS A 17 -5.023 3.198 -2.118 1.00 0.00 O ATOM 251 CB CYS A 17 -2.416 2.296 -0.411 1.00 0.00 C ATOM 252 SG CYS A 17 -3.467 0.821 -0.338 1.00 0.00 S ATOM 0 H CYS A 17 -1.196 4.431 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.600 2.553 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.371 1.987 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.578 2.891 0.488 1.00 0.00 H new ATOM 257 N LYS A 18 -4.202 4.919 -0.930 1.00 0.00 N ATOM 258 CA LYS A 18 -5.483 5.605 -0.865 1.00 0.00 C ATOM 259 C LYS A 18 -5.871 6.114 -2.250 1.00 0.00 C ATOM 260 O LYS A 18 -7.050 6.277 -2.561 1.00 0.00 O ATOM 261 CB LYS A 18 -5.416 6.767 0.122 1.00 0.00 C ATOM 262 CG LYS A 18 -4.427 7.839 -0.287 1.00 0.00 C ATOM 263 CD LYS A 18 -4.441 9.019 0.669 1.00 0.00 C ATOM 264 CE LYS A 18 -3.460 10.093 0.232 1.00 0.00 C ATOM 265 NZ LYS A 18 -3.425 11.237 1.178 1.00 0.00 N ATOM 0 H LYS A 18 -3.440 5.395 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.240 4.901 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.406 7.212 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.142 6.385 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.424 7.413 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.662 8.185 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.446 9.439 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.188 8.679 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.463 9.661 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.734 10.452 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.743 11.946 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.370 11.667 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.138 10.900 2.119 1.00 0.00 H new ATOM 279 N LYS A 19 -4.862 6.326 -3.092 1.00 0.00 N ATOM 280 CA LYS A 19 -5.079 6.791 -4.455 1.00 0.00 C ATOM 281 C LYS A 19 -5.412 5.607 -5.343 1.00 0.00 C ATOM 282 O LYS A 19 -5.802 5.759 -6.500 1.00 0.00 O ATOM 283 CB LYS A 19 -3.835 7.506 -4.988 1.00 0.00 C ATOM 284 CG LYS A 19 -3.475 8.784 -4.241 1.00 0.00 C ATOM 285 CD LYS A 19 -4.561 9.847 -4.361 1.00 0.00 C ATOM 286 CE LYS A 19 -4.809 10.257 -5.809 1.00 0.00 C ATOM 287 NZ LYS A 19 -3.598 10.838 -6.449 1.00 0.00 N ATOM 0 H LYS A 19 -3.882 6.181 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.909 7.498 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.989 6.821 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.991 7.746 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.310 8.553 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.537 9.179 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.487 9.468 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.274 10.724 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.136 9.387 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.620 10.985 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.849 11.224 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.220 11.599 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.877 10.097 -6.564 1.00 0.00 H new ATOM 301 N ALA A 20 -5.244 4.423 -4.778 1.00 0.00 N ATOM 302 CA ALA A 20 -5.553 3.182 -5.467 1.00 0.00 C ATOM 303 C ALA A 20 -6.996 2.784 -5.199 1.00 0.00 C ATOM 304 O ALA A 20 -7.560 1.934 -5.886 1.00 0.00 O ATOM 305 CB ALA A 20 -4.609 2.081 -5.006 1.00 0.00 C ATOM 0 H ALA A 20 -4.890 4.295 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.423 3.329 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.848 1.154 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.581 2.367 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.721 1.932 -3.932 1.00 0.00 H new ATOM 311 N GLY A 21 -7.584 3.413 -4.189 1.00 0.00 N ATOM 312 CA GLY A 21 -8.948 3.109 -3.818 1.00 0.00 C ATOM 313 C GLY A 21 -9.024 1.983 -2.814 1.00 0.00 C ATOM 314 O GLY A 21 -10.097 1.432 -2.565 1.00 0.00 O ATOM 0 H GLY A 21 -7.136 4.131 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.417 4.000 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.514 2.839 -4.709 1.00 0.00 H new ATOM 318 N MET A 22 -7.886 1.637 -2.230 1.00 0.00 N ATOM 319 CA MET A 22 -7.842 0.562 -1.254 1.00 0.00 C ATOM 320 C MET A 22 -7.956 1.126 0.153 1.00 0.00 C ATOM 321 O MET A 22 -8.121 2.334 0.323 1.00 0.00 O ATOM 322 CB MET A 22 -6.566 -0.267 -1.412 1.00 0.00 C ATOM 323 CG MET A 22 -6.458 -0.941 -2.766 1.00 0.00 C ATOM 324 SD MET A 22 -7.885 -1.980 -3.138 1.00 0.00 S ATOM 325 CE MET A 22 -7.487 -2.513 -4.802 1.00 0.00 C ATOM 0 H MET A 22 -6.987 2.083 -2.414 1.00 0.00 H new ATOM 0 HA MET A 22 -8.690 -0.100 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.700 0.378 -1.264 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.535 -1.027 -0.631 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.355 -0.180 -3.540 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.553 -1.548 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.277 -3.165 -5.174 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.400 -1.642 -5.452 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.542 -3.056 -4.794 1.00 0.00 H new ATOM 335 N ARG A 23 -7.893 0.268 1.154 1.00 0.00 N ATOM 336 CA ARG A 23 -8.061 0.716 2.528 1.00 0.00 C ATOM 337 C ARG A 23 -6.714 1.097 3.141 1.00 0.00 C ATOM 338 O ARG A 23 -6.476 2.265 3.452 1.00 0.00 O ATOM 339 CB ARG A 23 -8.763 -0.360 3.356 1.00 0.00 C ATOM 340 CG ARG A 23 -9.240 0.134 4.708 1.00 0.00 C ATOM 341 CD ARG A 23 -10.672 -0.294 4.984 1.00 0.00 C ATOM 342 NE ARG A 23 -10.860 -1.740 4.881 1.00 0.00 N ATOM 343 CZ ARG A 23 -12.051 -2.316 4.737 1.00 0.00 C ATOM 344 NH1 ARG A 23 -13.146 -1.568 4.672 1.00 0.00 N ATOM 345 NH2 ARG A 23 -12.146 -3.636 4.658 1.00 0.00 N ATOM 0 H ARG A 23 -7.729 -0.733 1.046 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.689 1.607 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.617 -0.740 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.080 -1.197 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.586 -0.254 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.171 1.221 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.959 0.035 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.338 0.206 4.280 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.035 -2.339 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.074 -0.552 4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.059 -2.009 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.305 -4.212 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.060 -4.076 4.548 1.00 0.00 H new ATOM 359 N PHE A 24 -5.833 0.118 3.310 1.00 0.00 N ATOM 360 CA PHE A 24 -4.486 0.384 3.801 1.00 0.00 C ATOM 361 C PHE A 24 -3.465 -0.271 2.892 1.00 0.00 C ATOM 362 O PHE A 24 -3.804 -1.114 2.068 1.00 0.00 O ATOM 363 CB PHE A 24 -4.258 -0.144 5.226 1.00 0.00 C ATOM 364 CG PHE A 24 -5.490 -0.583 5.950 1.00 0.00 C ATOM 365 CD1 PHE A 24 -5.992 -1.843 5.727 1.00 0.00 C ATOM 366 CD2 PHE A 24 -6.138 0.249 6.847 1.00 0.00 C ATOM 367 CE1 PHE A 24 -7.116 -2.284 6.373 1.00 0.00 C ATOM 368 CE2 PHE A 24 -7.272 -0.184 7.509 1.00 0.00 C ATOM 369 CZ PHE A 24 -7.764 -1.455 7.271 1.00 0.00 C ATOM 0 H PHE A 24 -6.026 -0.864 3.115 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.371 1.468 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.566 -0.985 5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.771 0.636 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.491 -2.497 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.755 1.242 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.496 -3.277 6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.772 0.468 8.210 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.650 -1.798 7.784 1.00 0.00 H new ATOM 379 N GLY A 25 -2.221 0.114 3.070 1.00 0.00 N ATOM 380 CA GLY A 25 -1.126 -0.485 2.345 1.00 0.00 C ATOM 381 C GLY A 25 -0.221 -1.246 3.283 1.00 0.00 C ATOM 382 O GLY A 25 0.461 -0.649 4.120 1.00 0.00 O ATOM 0 H GLY A 25 -1.942 0.849 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.514 -1.157 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.557 0.289 1.830 1.00 0.00 H new ATOM 386 N LYS A 26 -0.246 -2.561 3.182 1.00 0.00 N ATOM 387 CA LYS A 26 0.543 -3.405 4.060 1.00 0.00 C ATOM 388 C LYS A 26 1.902 -3.681 3.439 1.00 0.00 C ATOM 389 O LYS A 26 2.053 -3.685 2.216 1.00 0.00 O ATOM 390 CB LYS A 26 -0.180 -4.726 4.318 1.00 0.00 C ATOM 391 CG LYS A 26 0.364 -5.508 5.502 1.00 0.00 C ATOM 392 CD LYS A 26 -0.359 -6.835 5.679 1.00 0.00 C ATOM 393 CE LYS A 26 -1.832 -6.635 5.995 1.00 0.00 C ATOM 394 NZ LYS A 26 -2.543 -7.927 6.172 1.00 0.00 N ATOM 0 H LYS A 26 -0.806 -3.070 2.498 1.00 0.00 H new ATOM 0 HA LYS A 26 0.680 -2.884 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.238 -4.523 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.112 -5.346 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.429 -5.690 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.261 -4.913 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.259 -7.428 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.112 -7.402 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.931 -6.040 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.302 -6.070 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.544 -7.746 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.471 -8.485 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.112 -8.456 6.957 1.00 0.00 H new ATOM 408 N CYS A 27 2.882 -3.913 4.283 1.00 0.00 N ATOM 409 CA CYS A 27 4.211 -4.253 3.820 1.00 0.00 C ATOM 410 C CYS A 27 4.307 -5.732 3.505 1.00 0.00 C ATOM 411 O CYS A 27 4.175 -6.584 4.387 1.00 0.00 O ATOM 412 CB CYS A 27 5.265 -3.860 4.850 1.00 0.00 C ATOM 413 SG CYS A 27 5.729 -2.102 4.785 1.00 0.00 S ATOM 0 H CYS A 27 2.784 -3.873 5.298 1.00 0.00 H new ATOM 0 HA CYS A 27 4.401 -3.691 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.890 -4.091 5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.156 -4.468 4.695 1.00 0.00 H new ATOM 418 N ILE A 28 4.515 -6.026 2.237 1.00 0.00 N ATOM 419 CA ILE A 28 4.663 -7.388 1.774 1.00 0.00 C ATOM 420 C ILE A 28 6.125 -7.630 1.423 1.00 0.00 C ATOM 421 O ILE A 28 6.923 -6.706 1.533 1.00 0.00 O ATOM 422 CB ILE A 28 3.712 -7.658 0.570 1.00 0.00 C ATOM 423 CG1 ILE A 28 2.840 -8.888 0.833 1.00 0.00 C ATOM 424 CG2 ILE A 28 4.470 -7.823 -0.743 1.00 0.00 C ATOM 425 CD1 ILE A 28 2.013 -8.792 2.100 1.00 0.00 C ATOM 0 H ILE A 28 4.586 -5.325 1.499 1.00 0.00 H new ATOM 0 HA ILE A 28 4.379 -8.089 2.559 1.00 0.00 H new ATOM 0 HB ILE A 28 3.073 -6.781 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.172 -9.036 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.479 -9.769 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.762 -8.009 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.032 -6.914 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.158 -8.664 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.422 -9.700 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.675 -8.675 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.347 -7.931 2.036 1.00 0.00 H new ATOM 437 N ASN A 29 6.465 -8.865 1.049 1.00 0.00 N ATOM 438 CA ASN A 29 7.821 -9.236 0.628 1.00 0.00 C ATOM 439 C ASN A 29 8.441 -8.216 -0.339 1.00 0.00 C ATOM 440 O ASN A 29 8.365 -8.352 -1.559 1.00 0.00 O ATOM 441 CB ASN A 29 7.803 -10.640 0.002 1.00 0.00 C ATOM 442 CG ASN A 29 6.767 -10.816 -1.100 1.00 0.00 C ATOM 443 OD1 ASN A 29 7.038 -10.589 -2.280 1.00 0.00 O ATOM 444 ND2 ASN A 29 5.574 -11.251 -0.721 1.00 0.00 N ATOM 0 H ASN A 29 5.804 -9.642 1.029 1.00 0.00 H new ATOM 0 HA ASN A 29 8.452 -9.240 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.791 -10.858 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.612 -11.373 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.844 -11.409 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.386 -11.428 0.266 1.00 0.00 H new ATOM 451 N GLY A 30 9.038 -7.178 0.230 1.00 0.00 N ATOM 452 CA GLY A 30 9.706 -6.163 -0.555 1.00 0.00 C ATOM 453 C GLY A 30 8.756 -5.114 -1.109 1.00 0.00 C ATOM 454 O GLY A 30 9.173 -3.994 -1.408 1.00 0.00 O ATOM 0 H GLY A 30 9.070 -7.021 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.459 -5.673 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.233 -6.640 -1.382 1.00 0.00 H new ATOM 458 N LYS A 31 7.473 -5.443 -1.208 1.00 0.00 N ATOM 459 CA LYS A 31 6.547 -4.599 -1.957 1.00 0.00 C ATOM 460 C LYS A 31 5.411 -4.076 -1.091 1.00 0.00 C ATOM 461 O LYS A 31 5.261 -4.457 0.069 1.00 0.00 O ATOM 462 CB LYS A 31 5.974 -5.358 -3.156 1.00 0.00 C ATOM 463 CG LYS A 31 7.008 -5.698 -4.217 1.00 0.00 C ATOM 464 CD LYS A 31 6.363 -6.353 -5.426 1.00 0.00 C ATOM 465 CE LYS A 31 7.394 -6.726 -6.478 1.00 0.00 C ATOM 466 NZ LYS A 31 6.763 -7.321 -7.685 1.00 0.00 N ATOM 0 H LYS A 31 7.055 -6.273 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 31 7.119 -3.740 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.512 -6.280 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.184 -4.759 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.527 -4.791 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.758 -6.367 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.824 -7.247 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.629 -5.674 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.959 -5.839 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.106 -7.434 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.499 -7.562 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.245 -8.182 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.103 -6.636 -8.105 1.00 0.00 H new ATOM 480 N CYS A 32 4.627 -3.183 -1.672 1.00 0.00 N ATOM 481 CA CYS A 32 3.480 -2.598 -1.004 1.00 0.00 C ATOM 482 C CYS A 32 2.193 -3.269 -1.464 1.00 0.00 C ATOM 483 O CYS A 32 1.702 -3.015 -2.569 1.00 0.00 O ATOM 484 CB CYS A 32 3.434 -1.096 -1.285 1.00 0.00 C ATOM 485 SG CYS A 32 3.880 -0.065 0.142 1.00 0.00 S ATOM 0 H CYS A 32 4.770 -2.843 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 32 3.576 -2.755 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.110 -0.870 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.430 -0.829 -1.614 1.00 0.00 H new ATOM 490 N ASP A 33 1.662 -4.140 -0.620 1.00 0.00 N ATOM 491 CA ASP A 33 0.439 -4.863 -0.940 1.00 0.00 C ATOM 492 C ASP A 33 -0.731 -4.288 -0.153 1.00 0.00 C ATOM 493 O ASP A 33 -0.751 -4.330 1.077 1.00 0.00 O ATOM 494 CB ASP A 33 0.597 -6.347 -0.626 1.00 0.00 C ATOM 495 CG ASP A 33 -0.534 -7.187 -1.181 1.00 0.00 C ATOM 496 OD1 ASP A 33 -1.582 -7.294 -0.510 1.00 0.00 O ATOM 497 OD2 ASP A 33 -0.388 -7.727 -2.295 1.00 0.00 O ATOM 0 H ASP A 33 2.058 -4.364 0.293 1.00 0.00 H new ATOM 0 HA ASP A 33 0.241 -4.751 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.542 -6.702 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.648 -6.482 0.454 1.00 0.00 H new ATOM 502 N CYS A 34 -1.703 -3.759 -0.865 1.00 0.00 N ATOM 503 CA CYS A 34 -2.820 -3.070 -0.235 1.00 0.00 C ATOM 504 C CYS A 34 -3.907 -4.022 0.227 1.00 0.00 C ATOM 505 O CYS A 34 -4.074 -5.119 -0.304 1.00 0.00 O ATOM 506 CB CYS A 34 -3.438 -2.057 -1.188 1.00 0.00 C ATOM 507 SG CYS A 34 -2.452 -0.553 -1.433 1.00 0.00 S ATOM 0 H CYS A 34 -1.746 -3.791 -1.884 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.408 -2.566 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.594 -2.535 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.421 -1.774 -0.810 1.00 0.00 H new ATOM 512 N THR A 35 -4.649 -3.578 1.221 1.00 0.00 N ATOM 513 CA THR A 35 -5.824 -4.277 1.672 1.00 0.00 C ATOM 514 C THR A 35 -7.054 -3.579 1.116 1.00 0.00 C ATOM 515 O THR A 35 -7.294 -2.411 1.418 1.00 0.00 O ATOM 516 CB THR A 35 -5.886 -4.277 3.199 1.00 0.00 C ATOM 517 OG1 THR A 35 -4.750 -4.974 3.733 1.00 0.00 O ATOM 518 CG2 THR A 35 -7.174 -4.906 3.703 1.00 0.00 C ATOM 0 H THR A 35 -4.450 -2.721 1.736 1.00 0.00 H new ATOM 0 HA THR A 35 -5.787 -5.309 1.323 1.00 0.00 H new ATOM 0 HB THR A 35 -5.868 -3.242 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.794 -4.969 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.185 -4.889 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.027 -4.343 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.236 -5.937 3.355 1.00 0.00 H new ATOM 526 N PRO A 36 -7.829 -4.266 0.278 1.00 0.00 N ATOM 527 CA PRO A 36 -8.998 -3.677 -0.363 1.00 0.00 C ATOM 528 C PRO A 36 -10.131 -3.405 0.620 1.00 0.00 C ATOM 529 O PRO A 36 -10.247 -4.061 1.659 1.00 0.00 O ATOM 530 CB PRO A 36 -9.407 -4.741 -1.376 1.00 0.00 C ATOM 531 CG PRO A 36 -8.933 -6.015 -0.788 1.00 0.00 C ATOM 532 CD PRO A 36 -7.639 -5.674 -0.114 1.00 0.00 C ATOM 0 HA PRO A 36 -8.778 -2.705 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.486 -4.751 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.951 -4.559 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.656 -6.414 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.790 -6.775 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.454 -6.312 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.790 -5.794 -0.787 1.00 0.00 H new ATOM 540 N LYS A 37 -10.948 -2.419 0.294 1.00 0.00 N ATOM 541 CA LYS A 37 -12.115 -2.093 1.093 1.00 0.00 C ATOM 542 C LYS A 37 -13.309 -2.930 0.642 1.00 0.00 C ATOM 543 O LYS A 37 -13.694 -2.836 -0.544 1.00 0.00 O ATOM 544 CB LYS A 37 -12.439 -0.592 1.014 1.00 0.00 C ATOM 545 CG LYS A 37 -12.503 -0.037 -0.404 1.00 0.00 C ATOM 546 CD LYS A 37 -13.157 1.338 -0.447 1.00 0.00 C ATOM 547 CE LYS A 37 -12.408 2.359 0.396 1.00 0.00 C ATOM 548 NZ LYS A 37 -11.109 2.755 -0.213 1.00 0.00 N ATOM 549 OXT LYS A 37 -13.853 -3.684 1.471 1.00 0.00 O ATOM 0 H LYS A 37 -10.822 -1.826 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.896 -2.329 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.395 -0.413 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.684 -0.040 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.495 0.027 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.062 -0.725 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.202 1.685 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.185 1.261 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.030 3.245 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.230 1.946 1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.340 2.583 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.943 2.194 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.134 3.765 -0.458 1.00 0.00 H new