USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 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 Single : A 1 CYS N :NH3+ -111:sc= 0.0861 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.7) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.16) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 32 TYR OH : rot -125:sc= 0.678 USER MOD Single : A 36 LYS NZ :NH3+ -112:sc= -1.82! (180deg=-4.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.202 -8.181 2.087 1.00 0.00 N ATOM 2 CA CYS A 1 4.111 -7.912 1.123 1.00 0.00 C ATOM 3 C CYS A 1 2.922 -8.836 1.378 1.00 0.00 C ATOM 4 O CYS A 1 3.071 -9.883 2.008 1.00 0.00 O ATOM 5 CB CYS A 1 4.642 -8.118 -0.298 1.00 0.00 C ATOM 6 SG CYS A 1 3.438 -7.682 -1.595 1.00 0.00 S ATOM 0 H1 CYS A 1 5.296 -7.376 2.738 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.982 -9.041 2.629 1.00 0.00 H new ATOM 0 H3 CYS A 1 6.095 -8.316 1.572 1.00 0.00 H new ATOM 0 HA CYS A 1 3.770 -6.884 1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.542 -7.517 -0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 1 4.934 -9.161 -0.420 1.00 0.00 H new ATOM 13 N ILE A 2 1.745 -8.431 0.890 1.00 0.00 N ATOM 14 CA ILE A 2 0.509 -9.195 1.053 1.00 0.00 C ATOM 15 C ILE A 2 0.136 -9.271 2.532 1.00 0.00 C ATOM 16 O ILE A 2 -0.160 -10.333 3.080 1.00 0.00 O ATOM 17 CB ILE A 2 0.621 -10.617 0.448 1.00 0.00 C ATOM 18 CG1 ILE A 2 1.143 -10.558 -0.985 1.00 0.00 C ATOM 19 CG2 ILE A 2 -0.730 -11.327 0.467 1.00 0.00 C ATOM 20 CD1 ILE A 2 1.465 -11.919 -1.565 1.00 0.00 C ATOM 0 H ILE A 2 1.625 -7.562 0.370 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.278 -8.675 0.508 1.00 0.00 H new ATOM 0 HB ILE A 2 1.325 -11.179 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.399 -10.070 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.040 -9.939 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.624 -12.323 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.082 -11.411 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.450 -10.754 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.831 -11.802 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.231 -12.401 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.565 -12.534 -1.570 1.00 0.00 H new ATOM 32 N LYS A 3 0.162 -8.119 3.174 1.00 0.00 N ATOM 33 CA LYS A 3 -0.165 -8.015 4.585 1.00 0.00 C ATOM 34 C LYS A 3 -0.958 -6.747 4.832 1.00 0.00 C ATOM 35 O LYS A 3 -0.619 -5.687 4.303 1.00 0.00 O ATOM 36 CB LYS A 3 1.107 -8.008 5.442 1.00 0.00 C ATOM 37 CG LYS A 3 1.860 -9.329 5.443 1.00 0.00 C ATOM 38 CD LYS A 3 1.012 -10.449 6.021 1.00 0.00 C ATOM 39 CE LYS A 3 1.729 -11.787 5.963 1.00 0.00 C ATOM 40 NZ LYS A 3 0.834 -12.901 6.367 1.00 0.00 N ATOM 0 H LYS A 3 0.409 -7.232 2.736 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.763 -8.881 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.772 -7.223 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.840 -7.753 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.155 -9.582 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.776 -9.227 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.759 -10.217 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.073 -10.515 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.095 -11.961 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.600 -11.763 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.354 -13.800 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.505 -12.746 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.015 -12.938 5.727 1.00 0.00 H new ATOM 54 N ASN A 4 -2.012 -6.855 5.624 1.00 0.00 N ATOM 55 CA ASN A 4 -2.841 -5.700 5.928 1.00 0.00 C ATOM 56 C ASN A 4 -2.054 -4.693 6.755 1.00 0.00 C ATOM 57 O ASN A 4 -1.296 -5.060 7.655 1.00 0.00 O ATOM 58 CB ASN A 4 -4.141 -6.105 6.642 1.00 0.00 C ATOM 59 CG ASN A 4 -3.920 -6.952 7.883 1.00 0.00 C ATOM 60 OD1 ASN A 4 -3.274 -6.531 8.844 1.00 0.00 O ATOM 61 ND2 ASN A 4 -4.478 -8.150 7.878 1.00 0.00 N ATOM 0 H ASN A 4 -2.313 -7.724 6.065 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.126 -5.232 4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.687 -5.204 6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.771 -6.657 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.381 -8.761 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.006 -8.463 7.063 1.00 0.00 H new ATOM 68 N GLY A 5 -2.210 -3.422 6.425 1.00 0.00 N ATOM 69 CA GLY A 5 -1.489 -2.387 7.130 1.00 0.00 C ATOM 70 C GLY A 5 -0.224 -1.978 6.404 1.00 0.00 C ATOM 71 O GLY A 5 0.298 -0.882 6.623 1.00 0.00 O ATOM 0 H GLY A 5 -2.823 -3.089 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.133 -1.517 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.235 -2.739 8.130 1.00 0.00 H new ATOM 75 N ASN A 6 0.269 -2.857 5.537 1.00 0.00 N ATOM 76 CA ASN A 6 1.479 -2.582 4.767 1.00 0.00 C ATOM 77 C ASN A 6 1.226 -1.445 3.788 1.00 0.00 C ATOM 78 O ASN A 6 0.230 -1.458 3.066 1.00 0.00 O ATOM 79 CB ASN A 6 1.928 -3.829 4.001 1.00 0.00 C ATOM 80 CG ASN A 6 3.226 -3.608 3.247 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.286 -3.444 3.850 1.00 0.00 O ATOM 82 ND2 ASN A 6 3.152 -3.599 1.925 1.00 0.00 N ATOM 0 H ASN A 6 -0.151 -3.767 5.349 1.00 0.00 H new ATOM 0 HA ASN A 6 2.269 -2.294 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.053 -4.656 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.148 -4.121 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.994 -3.452 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.253 -3.739 1.464 1.00 0.00 H new ATOM 89 N GLY A 7 2.116 -0.462 3.780 1.00 0.00 N ATOM 90 CA GLY A 7 1.964 0.679 2.900 1.00 0.00 C ATOM 91 C GLY A 7 2.005 0.313 1.429 1.00 0.00 C ATOM 92 O GLY A 7 2.867 -0.454 0.994 1.00 0.00 O ATOM 0 H GLY A 7 2.946 -0.435 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.017 1.173 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.755 1.399 3.110 1.00 0.00 H new ATOM 96 N CYS A 8 1.073 0.868 0.669 1.00 0.00 N ATOM 97 CA CYS A 8 0.992 0.613 -0.763 1.00 0.00 C ATOM 98 C CYS A 8 0.829 1.919 -1.535 1.00 0.00 C ATOM 99 O CYS A 8 1.126 1.987 -2.721 1.00 0.00 O ATOM 100 CB CYS A 8 -0.164 -0.340 -1.086 1.00 0.00 C ATOM 101 SG CYS A 8 -1.802 0.236 -0.527 1.00 0.00 S ATOM 0 H CYS A 8 0.357 1.503 1.023 1.00 0.00 H new ATOM 0 HA CYS A 8 1.924 0.140 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.197 -0.497 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.042 -1.308 -0.629 1.00 0.00 H new ATOM 106 N GLN A 9 0.356 2.957 -0.857 1.00 0.00 N ATOM 107 CA GLN A 9 0.163 4.253 -1.494 1.00 0.00 C ATOM 108 C GLN A 9 0.665 5.380 -0.603 1.00 0.00 C ATOM 109 O GLN A 9 -0.106 5.985 0.145 1.00 0.00 O ATOM 110 CB GLN A 9 -1.314 4.477 -1.833 1.00 0.00 C ATOM 111 CG GLN A 9 -1.769 3.764 -3.095 1.00 0.00 C ATOM 112 CD GLN A 9 -1.082 4.290 -4.339 1.00 0.00 C ATOM 113 OE1 GLN A 9 -1.204 5.468 -4.681 1.00 0.00 O ATOM 114 NE2 GLN A 9 -0.347 3.430 -5.019 1.00 0.00 N ATOM 0 H GLN A 9 0.100 2.927 0.130 1.00 0.00 H new ATOM 0 HA GLN A 9 0.742 4.256 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.925 4.139 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.493 5.546 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.569 2.697 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.848 3.878 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.271 2.463 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.145 3.732 -5.860 1.00 0.00 H new ATOM 123 N PRO A 10 1.969 5.685 -0.677 1.00 0.00 N ATOM 124 CA PRO A 10 2.581 6.752 0.115 1.00 0.00 C ATOM 125 C PRO A 10 2.207 8.133 -0.422 1.00 0.00 C ATOM 126 O PRO A 10 3.007 8.785 -1.101 1.00 0.00 O ATOM 127 CB PRO A 10 4.080 6.488 -0.031 1.00 0.00 C ATOM 128 CG PRO A 10 4.224 5.792 -1.340 1.00 0.00 C ATOM 129 CD PRO A 10 2.952 5.017 -1.557 1.00 0.00 C ATOM 0 HA PRO A 10 2.248 6.750 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.648 7.418 -0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.454 5.872 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.383 6.510 -2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.087 5.126 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.639 5.048 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.075 3.967 -1.293 1.00 0.00 H new ATOM 137 N ASN A 11 0.971 8.547 -0.130 1.00 0.00 N ATOM 138 CA ASN A 11 0.416 9.831 -0.577 1.00 0.00 C ATOM 139 C ASN A 11 0.047 9.784 -2.057 1.00 0.00 C ATOM 140 O ASN A 11 -1.098 10.042 -2.425 1.00 0.00 O ATOM 141 CB ASN A 11 1.384 10.992 -0.310 1.00 0.00 C ATOM 142 CG ASN A 11 0.960 12.276 -0.999 1.00 0.00 C ATOM 143 OD1 ASN A 11 -0.136 12.790 -0.771 1.00 0.00 O ATOM 144 ND2 ASN A 11 1.827 12.800 -1.850 1.00 0.00 N ATOM 0 H ASN A 11 0.320 7.996 0.429 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.490 10.007 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.450 11.165 0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.382 10.714 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.598 13.661 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.724 12.342 -2.010 1.00 0.00 H new ATOM 151 N GLY A 12 1.011 9.451 -2.894 1.00 0.00 N ATOM 152 CA GLY A 12 0.768 9.376 -4.317 1.00 0.00 C ATOM 153 C GLY A 12 2.040 9.580 -5.103 1.00 0.00 C ATOM 154 O GLY A 12 2.420 10.716 -5.396 1.00 0.00 O ATOM 0 H GLY A 12 1.966 9.229 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.337 8.405 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.036 10.131 -4.603 1.00 0.00 H new ATOM 158 N SER A 13 2.706 8.488 -5.432 1.00 0.00 N ATOM 159 CA SER A 13 3.953 8.548 -6.175 1.00 0.00 C ATOM 160 C SER A 13 4.241 7.214 -6.860 1.00 0.00 C ATOM 161 O SER A 13 4.361 7.150 -8.087 1.00 0.00 O ATOM 162 CB SER A 13 5.094 8.922 -5.225 1.00 0.00 C ATOM 163 OG SER A 13 4.922 8.305 -3.956 1.00 0.00 O ATOM 0 H SER A 13 2.402 7.543 -5.195 1.00 0.00 H new ATOM 0 HA SER A 13 3.867 9.309 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.047 8.615 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.132 10.005 -5.105 1.00 0.00 H new ATOM 0 HG SER A 13 5.663 8.557 -3.367 1.00 0.00 H new ATOM 169 N GLN A 14 4.330 6.157 -6.065 1.00 0.00 N ATOM 170 CA GLN A 14 4.592 4.819 -6.576 1.00 0.00 C ATOM 171 C GLN A 14 4.423 3.802 -5.457 1.00 0.00 C ATOM 172 O GLN A 14 4.922 4.005 -4.349 1.00 0.00 O ATOM 173 CB GLN A 14 6.011 4.726 -7.147 1.00 0.00 C ATOM 174 CG GLN A 14 6.293 3.419 -7.867 1.00 0.00 C ATOM 175 CD GLN A 14 7.753 3.258 -8.231 1.00 0.00 C ATOM 176 OE1 GLN A 14 8.334 4.101 -8.910 1.00 0.00 O ATOM 177 NE2 GLN A 14 8.353 2.165 -7.787 1.00 0.00 N ATOM 0 H GLN A 14 4.223 6.202 -5.052 1.00 0.00 H new ATOM 0 HA GLN A 14 3.881 4.607 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.170 5.554 -7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.729 4.846 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.986 2.586 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.689 3.370 -8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.833 1.490 -7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.335 1.998 -8.006 1.00 0.00 H new ATOM 186 N GLY A 15 3.718 2.719 -5.742 1.00 0.00 N ATOM 187 CA GLY A 15 3.500 1.697 -4.741 1.00 0.00 C ATOM 188 C GLY A 15 2.358 0.776 -5.108 1.00 0.00 C ATOM 189 O GLY A 15 1.410 1.195 -5.776 1.00 0.00 O ATOM 0 H GLY A 15 3.292 2.529 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.411 1.112 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.290 2.169 -3.781 1.00 0.00 H new ATOM 193 N ASN A 16 2.443 -0.473 -4.668 1.00 0.00 N ATOM 194 CA ASN A 16 1.406 -1.462 -4.941 1.00 0.00 C ATOM 195 C ASN A 16 1.730 -2.784 -4.261 1.00 0.00 C ATOM 196 O ASN A 16 2.898 -3.170 -4.153 1.00 0.00 O ATOM 197 CB ASN A 16 1.234 -1.706 -6.449 1.00 0.00 C ATOM 198 CG ASN A 16 2.389 -2.480 -7.061 1.00 0.00 C ATOM 199 OD1 ASN A 16 3.502 -1.969 -7.189 1.00 0.00 O ATOM 200 ND2 ASN A 16 2.135 -3.726 -7.432 1.00 0.00 N ATOM 0 H ASN A 16 3.225 -0.828 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 16 0.474 -1.061 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.307 -2.253 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.137 -0.747 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.875 -4.298 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.200 -4.114 -7.310 1.00 0.00 H new ATOM 207 N CYS A 17 0.693 -3.489 -3.837 1.00 0.00 N ATOM 208 CA CYS A 17 0.861 -4.787 -3.211 1.00 0.00 C ATOM 209 C CYS A 17 1.214 -5.789 -4.309 1.00 0.00 C ATOM 210 O CYS A 17 0.725 -5.664 -5.434 1.00 0.00 O ATOM 211 CB CYS A 17 -0.424 -5.202 -2.483 1.00 0.00 C ATOM 212 SG CYS A 17 -1.344 -3.810 -1.730 1.00 0.00 S ATOM 0 H CYS A 17 -0.276 -3.181 -3.916 1.00 0.00 H new ATOM 0 HA CYS A 17 1.657 -4.752 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.078 -5.716 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.170 -5.919 -1.703 1.00 0.00 H new ATOM 217 N CYS A 18 2.079 -6.751 -4.017 1.00 0.00 N ATOM 218 CA CYS A 18 2.488 -7.717 -5.019 1.00 0.00 C ATOM 219 C CYS A 18 1.332 -8.631 -5.418 1.00 0.00 C ATOM 220 O CYS A 18 1.014 -8.759 -6.601 1.00 0.00 O ATOM 221 CB CYS A 18 3.682 -8.524 -4.506 1.00 0.00 C ATOM 222 SG CYS A 18 3.443 -9.268 -2.859 1.00 0.00 S ATOM 0 H CYS A 18 2.507 -6.880 -3.100 1.00 0.00 H new ATOM 0 HA CYS A 18 2.791 -7.177 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.901 -9.317 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.556 -7.874 -4.473 1.00 0.00 H new ATOM 227 N SER A 19 0.698 -9.246 -4.433 1.00 0.00 N ATOM 228 CA SER A 19 -0.426 -10.138 -4.682 1.00 0.00 C ATOM 229 C SER A 19 -1.471 -9.974 -3.585 1.00 0.00 C ATOM 230 O SER A 19 -1.774 -10.916 -2.852 1.00 0.00 O ATOM 231 CB SER A 19 0.050 -11.592 -4.739 1.00 0.00 C ATOM 232 OG SER A 19 1.130 -11.748 -5.641 1.00 0.00 O ATOM 0 H SER A 19 0.943 -9.144 -3.448 1.00 0.00 H new ATOM 0 HA SER A 19 -0.873 -9.880 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.356 -11.915 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.776 -12.235 -5.043 1.00 0.00 H new ATOM 0 HG SER A 19 1.412 -12.686 -5.654 1.00 0.00 H new ATOM 238 N GLY A 20 -2.009 -8.773 -3.472 1.00 0.00 N ATOM 239 CA GLY A 20 -3.001 -8.503 -2.460 1.00 0.00 C ATOM 240 C GLY A 20 -4.023 -7.494 -2.924 1.00 0.00 C ATOM 241 O GLY A 20 -4.651 -7.675 -3.966 1.00 0.00 O ATOM 0 H GLY A 20 -1.775 -7.978 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.505 -9.431 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.509 -8.133 -1.560 1.00 0.00 H new ATOM 245 N TYR A 21 -4.192 -6.432 -2.152 1.00 0.00 N ATOM 246 CA TYR A 21 -5.151 -5.390 -2.483 1.00 0.00 C ATOM 247 C TYR A 21 -4.816 -4.102 -1.740 1.00 0.00 C ATOM 248 O TYR A 21 -4.830 -4.067 -0.512 1.00 0.00 O ATOM 249 CB TYR A 21 -6.558 -5.859 -2.106 1.00 0.00 C ATOM 250 CG TYR A 21 -7.640 -4.829 -2.330 1.00 0.00 C ATOM 251 CD1 TYR A 21 -7.932 -4.360 -3.604 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.379 -4.340 -1.262 1.00 0.00 C ATOM 253 CE1 TYR A 21 -8.931 -3.427 -3.805 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.379 -3.410 -1.455 1.00 0.00 C ATOM 255 CZ TYR A 21 -9.651 -2.958 -2.728 1.00 0.00 C ATOM 256 OH TYR A 21 -10.651 -2.033 -2.922 1.00 0.00 O ATOM 0 H TYR A 21 -3.675 -6.269 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.106 -5.192 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.797 -6.751 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.562 -6.149 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.371 -4.730 -4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.168 -4.693 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.146 -3.067 -4.800 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.945 -3.038 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.060 -1.808 -2.060 1.00 0.00 H new ATOM 266 N CYS A 22 -4.519 -3.054 -2.490 1.00 0.00 N ATOM 267 CA CYS A 22 -4.189 -1.757 -1.914 1.00 0.00 C ATOM 268 C CYS A 22 -5.469 -1.002 -1.585 1.00 0.00 C ATOM 269 O CYS A 22 -6.467 -1.137 -2.294 1.00 0.00 O ATOM 270 CB CYS A 22 -3.326 -0.947 -2.885 1.00 0.00 C ATOM 271 SG CYS A 22 -2.786 0.674 -2.248 1.00 0.00 S ATOM 0 H CYS A 22 -4.499 -3.075 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.621 -1.909 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.444 -1.534 -3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.887 -0.792 -3.807 1.00 0.00 H new ATOM 276 N HIS A 23 -5.453 -0.224 -0.512 1.00 0.00 N ATOM 277 CA HIS A 23 -6.637 0.524 -0.118 1.00 0.00 C ATOM 278 C HIS A 23 -6.264 1.889 0.453 1.00 0.00 C ATOM 279 O HIS A 23 -5.550 1.986 1.451 1.00 0.00 O ATOM 280 CB HIS A 23 -7.442 -0.280 0.909 1.00 0.00 C ATOM 281 CG HIS A 23 -8.737 0.360 1.307 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.719 0.695 0.404 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.213 0.715 2.523 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.741 1.228 1.042 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.461 1.253 2.330 1.00 0.00 N ATOM 0 H HIS A 23 -4.643 -0.095 0.095 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.248 0.689 -1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.648 -1.269 0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.832 -0.425 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.706 0.597 3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.653 1.584 0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.072 1.613 3.063 1.00 0.00 H new ATOM 294 N LYS A 24 -6.768 2.937 -0.182 1.00 0.00 N ATOM 295 CA LYS A 24 -6.512 4.301 0.253 1.00 0.00 C ATOM 296 C LYS A 24 -7.585 5.247 -0.262 1.00 0.00 C ATOM 297 O LYS A 24 -7.818 5.341 -1.466 1.00 0.00 O ATOM 298 CB LYS A 24 -5.142 4.793 -0.231 1.00 0.00 C ATOM 299 CG LYS A 24 -4.923 6.286 0.000 1.00 0.00 C ATOM 300 CD LYS A 24 -3.632 6.777 -0.633 1.00 0.00 C ATOM 301 CE LYS A 24 -3.622 8.293 -0.782 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.669 8.995 0.527 1.00 0.00 N ATOM 0 H LYS A 24 -7.362 2.866 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.525 4.295 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.360 4.234 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.041 4.578 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.764 6.844 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.901 6.488 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.785 6.465 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.507 6.314 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.724 8.596 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.475 8.601 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.279 9.953 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.655 9.056 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.106 8.467 1.224 1.00 0.00 H new ATOM 316 N GLN A 25 -8.199 5.980 0.651 1.00 0.00 N ATOM 317 CA GLN A 25 -9.202 6.962 0.283 1.00 0.00 C ATOM 318 C GLN A 25 -8.751 8.338 0.786 1.00 0.00 C ATOM 319 O GLN A 25 -8.477 9.219 -0.029 1.00 0.00 O ATOM 320 CB GLN A 25 -10.597 6.576 0.793 1.00 0.00 C ATOM 321 CG GLN A 25 -11.179 5.351 0.110 1.00 0.00 C ATOM 322 CD GLN A 25 -12.615 5.095 0.517 1.00 0.00 C ATOM 323 OE1 GLN A 25 -12.945 5.089 1.704 1.00 0.00 O ATOM 324 NE2 GLN A 25 -13.478 4.872 -0.459 1.00 0.00 N ATOM 0 H GLN A 25 -8.020 5.913 1.653 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.293 6.998 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.544 6.392 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.273 7.418 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.128 5.481 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.573 4.479 0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.165 4.886 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.457 4.686 -0.242 1.00 0.00 H new ATOM 333 N PRO A 26 -8.604 8.555 2.119 1.00 0.00 N ATOM 334 CA PRO A 26 -8.122 9.829 2.635 1.00 0.00 C ATOM 335 C PRO A 26 -6.595 9.855 2.642 1.00 0.00 C ATOM 336 O PRO A 26 -5.951 9.095 1.912 1.00 0.00 O ATOM 337 CB PRO A 26 -8.657 9.831 4.060 1.00 0.00 C ATOM 338 CG PRO A 26 -8.547 8.407 4.468 1.00 0.00 C ATOM 339 CD PRO A 26 -8.844 7.601 3.228 1.00 0.00 C ATOM 0 HA PRO A 26 -8.441 10.689 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -8.071 10.482 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.688 10.183 4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.550 8.185 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.253 8.173 5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.194 6.729 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.871 7.235 3.225 1.00 0.00 H new ATOM 347 N GLY A 27 -6.016 10.694 3.486 1.00 0.00 N ATOM 348 CA GLY A 27 -4.573 10.758 3.577 1.00 0.00 C ATOM 349 C GLY A 27 -4.015 9.668 4.471 1.00 0.00 C ATOM 350 O GLY A 27 -3.119 8.930 4.059 1.00 0.00 O ATOM 0 H GLY A 27 -6.517 11.329 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.142 10.666 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.276 11.733 3.964 1.00 0.00 H new ATOM 354 N TRP A 28 -4.570 9.591 5.689 1.00 0.00 N ATOM 355 CA TRP A 28 -4.197 8.621 6.741 1.00 0.00 C ATOM 356 C TRP A 28 -2.751 8.120 6.660 1.00 0.00 C ATOM 357 O TRP A 28 -2.496 6.915 6.708 1.00 0.00 O ATOM 358 CB TRP A 28 -5.196 7.444 6.840 1.00 0.00 C ATOM 359 CG TRP A 28 -5.385 6.581 5.612 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.558 6.446 4.531 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.482 5.688 5.382 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.086 5.543 3.641 1.00 0.00 N ATOM 363 CE2 TRP A 28 -6.264 5.061 4.143 1.00 0.00 C ATOM 364 CE3 TRP A 28 -7.633 5.364 6.107 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -7.153 4.128 3.614 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -8.514 4.438 5.581 1.00 0.00 C ATOM 367 CH2 TRP A 28 -8.269 3.829 4.345 1.00 0.00 C ATOM 0 H TRP A 28 -5.316 10.221 5.984 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.257 9.192 7.667 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.875 6.799 7.658 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.168 7.851 7.118 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.625 6.973 4.397 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.668 5.275 2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -7.830 5.829 7.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.967 3.657 2.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.406 4.180 6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.976 3.108 3.961 1.00 0.00 H new ATOM 378 N VAL A 29 -1.813 9.065 6.558 1.00 0.00 N ATOM 379 CA VAL A 29 -0.379 8.772 6.485 1.00 0.00 C ATOM 380 C VAL A 29 0.005 8.136 5.147 1.00 0.00 C ATOM 381 O VAL A 29 0.851 8.666 4.427 1.00 0.00 O ATOM 382 CB VAL A 29 0.091 7.861 7.644 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.577 7.554 7.531 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.214 8.502 8.988 1.00 0.00 C ATOM 0 H VAL A 29 -2.028 10.061 6.524 1.00 0.00 H new ATOM 0 HA VAL A 29 0.127 9.733 6.575 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.457 6.922 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.880 6.912 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.773 7.046 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.144 8.484 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.124 7.845 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.303 9.459 9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.288 8.662 9.079 1.00 0.00 H new ATOM 394 N ALA A 30 -0.618 7.012 4.818 1.00 0.00 N ATOM 395 CA ALA A 30 -0.340 6.312 3.573 1.00 0.00 C ATOM 396 C ALA A 30 -1.328 5.178 3.356 1.00 0.00 C ATOM 397 O ALA A 30 -1.765 4.535 4.312 1.00 0.00 O ATOM 398 CB ALA A 30 1.081 5.764 3.568 1.00 0.00 C ATOM 0 H ALA A 30 -1.324 6.564 5.402 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.445 7.029 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.267 5.245 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.788 6.586 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.206 5.068 4.398 1.00 0.00 H new ATOM 404 N GLY A 31 -1.656 4.925 2.094 1.00 0.00 N ATOM 405 CA GLY A 31 -2.561 3.846 1.761 1.00 0.00 C ATOM 406 C GLY A 31 -1.961 2.518 2.146 1.00 0.00 C ATOM 407 O GLY A 31 -0.753 2.322 2.001 1.00 0.00 O ATOM 0 H GLY A 31 -1.308 5.452 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.510 3.987 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.775 3.859 0.692 1.00 0.00 H new ATOM 411 N TYR A 32 -2.777 1.622 2.664 1.00 0.00 N ATOM 412 CA TYR A 32 -2.288 0.328 3.103 1.00 0.00 C ATOM 413 C TYR A 32 -3.017 -0.823 2.426 1.00 0.00 C ATOM 414 O TYR A 32 -4.204 -0.726 2.106 1.00 0.00 O ATOM 415 CB TYR A 32 -2.423 0.219 4.627 1.00 0.00 C ATOM 416 CG TYR A 32 -3.817 0.519 5.145 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.852 -0.401 5.007 1.00 0.00 C ATOM 418 CD2 TYR A 32 -4.096 1.724 5.774 1.00 0.00 C ATOM 419 CE1 TYR A 32 -6.119 -0.126 5.478 1.00 0.00 C ATOM 420 CE2 TYR A 32 -5.362 2.006 6.248 1.00 0.00 C ATOM 421 CZ TYR A 32 -6.369 1.079 6.096 1.00 0.00 C ATOM 422 OH TYR A 32 -7.633 1.358 6.564 1.00 0.00 O ATOM 0 H TYR A 32 -3.779 1.764 2.792 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.239 0.254 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.140 -0.787 4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.717 0.906 5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.660 -1.347 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.309 2.454 5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.911 -0.852 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.561 2.949 6.735 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.947 2.201 6.176 1.00 0.00 H new ATOM 432 N CYS A 33 -2.302 -1.918 2.233 1.00 0.00 N ATOM 433 CA CYS A 33 -2.876 -3.105 1.632 1.00 0.00 C ATOM 434 C CYS A 33 -3.851 -3.726 2.619 1.00 0.00 C ATOM 435 O CYS A 33 -3.523 -3.893 3.790 1.00 0.00 O ATOM 436 CB CYS A 33 -1.787 -4.127 1.278 1.00 0.00 C ATOM 437 SG CYS A 33 -0.519 -3.529 0.108 1.00 0.00 S ATOM 0 H CYS A 33 -1.318 -2.008 2.486 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.388 -2.823 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.292 -4.442 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.263 -5.011 0.854 1.00 0.00 H new ATOM 442 N ARG A 34 -5.040 -4.064 2.160 1.00 0.00 N ATOM 443 CA ARG A 34 -6.034 -4.669 3.030 1.00 0.00 C ATOM 444 C ARG A 34 -6.019 -6.183 2.846 1.00 0.00 C ATOM 445 O ARG A 34 -7.004 -6.867 3.125 1.00 0.00 O ATOM 446 CB ARG A 34 -7.426 -4.111 2.725 1.00 0.00 C ATOM 447 CG ARG A 34 -8.425 -4.332 3.848 1.00 0.00 C ATOM 448 CD ARG A 34 -9.852 -4.249 3.345 1.00 0.00 C ATOM 449 NE ARG A 34 -10.821 -4.448 4.419 1.00 0.00 N ATOM 450 CZ ARG A 34 -12.105 -4.725 4.217 1.00 0.00 C ATOM 451 NH1 ARG A 34 -12.570 -4.876 2.984 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.923 -4.869 5.248 1.00 0.00 N ATOM 0 H ARG A 34 -5.342 -3.932 1.195 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.791 -4.430 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.345 -3.042 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.805 -4.577 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.254 -5.308 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.269 -3.586 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.018 -3.276 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.008 -5.001 2.571 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.493 -4.370 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.941 -4.780 2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.556 -5.089 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.568 -4.767 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.908 -5.082 5.092 1.00 0.00 H new ATOM 466 N ARG A 35 -4.882 -6.685 2.363 1.00 0.00 N ATOM 467 CA ARG A 35 -4.665 -8.106 2.104 1.00 0.00 C ATOM 468 C ARG A 35 -5.458 -8.575 0.881 1.00 0.00 C ATOM 469 O ARG A 35 -4.892 -9.173 -0.034 1.00 0.00 O ATOM 470 CB ARG A 35 -5.004 -8.948 3.335 1.00 0.00 C ATOM 471 CG ARG A 35 -4.613 -10.401 3.189 1.00 0.00 C ATOM 472 CD ARG A 35 -4.721 -11.148 4.509 1.00 0.00 C ATOM 473 NE ARG A 35 -4.384 -12.561 4.360 1.00 0.00 N ATOM 474 CZ ARG A 35 -4.170 -13.394 5.379 1.00 0.00 C ATOM 475 NH1 ARG A 35 -4.228 -12.956 6.633 1.00 0.00 N ATOM 476 NH2 ARG A 35 -3.895 -14.671 5.143 1.00 0.00 N ATOM 0 H ARG A 35 -4.074 -6.105 2.138 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.606 -8.244 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.499 -8.528 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.075 -8.884 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.254 -10.878 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.591 -10.467 2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.056 -10.691 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.735 -11.055 4.898 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.307 -12.935 3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.438 -11.976 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.063 -13.600 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.848 -15.014 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.731 -15.310 5.921 1.00 0.00 H new ATOM 490 N LYS A 36 -6.752 -8.279 0.856 1.00 0.00 N ATOM 491 CA LYS A 36 -7.614 -8.649 -0.256 1.00 0.00 C ATOM 492 C LYS A 36 -8.959 -7.950 -0.118 1.00 0.00 C ATOM 493 O LYS A 36 -9.849 -8.182 -0.961 1.00 0.00 O ATOM 494 CB LYS A 36 -7.816 -10.167 -0.315 1.00 0.00 C ATOM 495 CG LYS A 36 -8.480 -10.748 0.923 1.00 0.00 C ATOM 496 CD LYS A 36 -8.803 -12.228 0.759 1.00 0.00 C ATOM 497 CE LYS A 36 -9.915 -12.466 -0.259 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.435 -12.382 -1.664 1.00 0.00 N ATOM 499 OXT LYS A 36 -9.123 -7.170 0.844 1.00 0.00 O ATOM 0 H LYS A 36 -7.230 -7.777 1.604 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.134 -8.335 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.422 -10.410 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.848 -10.647 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.824 -10.614 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.397 -10.198 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.906 -12.761 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.100 -12.642 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.354 -13.449 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.706 -11.732 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.845 -11.543 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.398 -12.309 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.726 -13.235 -2.182 1.00 0.00 H new TER 513 LYS A 36