USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 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 GLY N :NH3+ -129:sc= 0.0345 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -109:sc= -6.94! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.99! C(o=-6!,f=-3.9!) USER MOD Single : A 17 MET CE :methyl 160:sc= -11.9! (180deg=-13.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 145:sc= -0.452 (180deg=-0.992) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.5!) USER MOD Single : A 35 THR OG1 : rot -56:sc= -6.53! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.17! C(o=-2.2!,f=-6.7!) USER MOD Single : A 38 TYR OH : rot 78:sc= -7.85! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.718 19.260 -0.388 1.00 0.00 N ATOM 2 CA GLY A 1 17.343 18.718 -0.577 1.00 0.00 C ATOM 3 C GLY A 1 17.424 17.330 -1.214 1.00 0.00 C ATOM 4 O GLY A 1 18.339 16.572 -0.962 1.00 0.00 O ATOM 0 H1 GLY A 1 18.831 19.585 0.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.415 18.515 -0.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.868 20.059 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.829 18.660 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.761 19.387 -1.211 1.00 0.00 H new ATOM 10 N SER A 2 16.472 16.990 -2.040 1.00 0.00 N ATOM 11 CA SER A 2 16.495 15.650 -2.694 1.00 0.00 C ATOM 12 C SER A 2 16.622 14.550 -1.637 1.00 0.00 C ATOM 13 O SER A 2 17.646 13.907 -1.528 1.00 0.00 O ATOM 14 CB SER A 2 17.727 15.670 -3.595 1.00 0.00 C ATOM 15 OG SER A 2 17.350 15.301 -4.915 1.00 0.00 O ATOM 0 H SER A 2 15.680 17.582 -2.290 1.00 0.00 H new ATOM 0 HA SER A 2 15.583 15.449 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.174 16.664 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.481 14.982 -3.214 1.00 0.00 H new ATOM 0 HG SER A 2 18.139 15.315 -5.496 1.00 0.00 H new ATOM 21 N PRO A 3 15.566 14.374 -0.889 1.00 0.00 N ATOM 22 CA PRO A 3 15.549 13.343 0.178 1.00 0.00 C ATOM 23 C PRO A 3 15.451 11.942 -0.434 1.00 0.00 C ATOM 24 O PRO A 3 14.438 11.579 -0.998 1.00 0.00 O ATOM 25 CB PRO A 3 14.292 13.677 0.976 1.00 0.00 C ATOM 26 CG PRO A 3 13.405 14.407 0.017 1.00 0.00 C ATOM 27 CD PRO A 3 14.302 15.113 -0.967 1.00 0.00 C ATOM 0 HA PRO A 3 16.450 13.344 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.810 12.773 1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.528 14.294 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.740 13.713 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.774 15.122 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.887 15.088 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.436 16.162 -0.703 1.00 0.00 H new ATOM 35 N PRO A 4 16.517 11.199 -0.299 1.00 0.00 N ATOM 36 CA PRO A 4 16.558 9.821 -0.846 1.00 0.00 C ATOM 37 C PRO A 4 15.700 8.881 0.006 1.00 0.00 C ATOM 38 O PRO A 4 15.568 7.710 -0.285 1.00 0.00 O ATOM 39 CB PRO A 4 18.033 9.443 -0.755 1.00 0.00 C ATOM 40 CG PRO A 4 18.588 10.302 0.338 1.00 0.00 C ATOM 41 CD PRO A 4 17.771 11.569 0.366 1.00 0.00 C ATOM 0 HA PRO A 4 16.167 9.751 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 4 18.155 8.385 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.546 9.626 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 4 18.533 9.787 1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.639 10.526 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.596 11.908 1.387 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.276 12.381 -0.158 1.00 0.00 H new ATOM 49 N GLU A 5 15.120 9.387 1.057 1.00 0.00 N ATOM 50 CA GLU A 5 14.273 8.525 1.929 1.00 0.00 C ATOM 51 C GLU A 5 13.167 9.352 2.589 1.00 0.00 C ATOM 52 O GLU A 5 13.148 9.536 3.789 1.00 0.00 O ATOM 53 CB GLU A 5 15.222 7.975 2.978 1.00 0.00 C ATOM 54 CG GLU A 5 15.142 6.447 2.991 1.00 0.00 C ATOM 55 CD GLU A 5 15.924 5.905 4.188 1.00 0.00 C ATOM 56 OE1 GLU A 5 16.938 6.495 4.525 1.00 0.00 O ATOM 57 OE2 GLU A 5 15.498 4.907 4.747 1.00 0.00 O ATOM 0 H GLU A 5 15.195 10.361 1.351 1.00 0.00 H new ATOM 0 HA GLU A 5 13.780 7.733 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.242 8.294 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.964 8.371 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.102 6.127 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.549 6.043 2.064 1.00 0.00 H new ATOM 64 N ALA A 6 12.242 9.848 1.814 1.00 0.00 N ATOM 65 CA ALA A 6 11.136 10.659 2.399 1.00 0.00 C ATOM 66 C ALA A 6 10.103 9.740 3.055 1.00 0.00 C ATOM 67 O ALA A 6 9.930 9.742 4.258 1.00 0.00 O ATOM 68 CB ALA A 6 10.519 11.401 1.213 1.00 0.00 C ATOM 0 H ALA A 6 12.204 9.727 0.802 1.00 0.00 H new ATOM 0 HA ALA A 6 11.487 11.346 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.694 12.022 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.275 12.031 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.147 10.679 0.486 1.00 0.00 H new ATOM 74 N ASP A 7 9.416 8.953 2.273 1.00 0.00 N ATOM 75 CA ASP A 7 8.400 8.036 2.841 1.00 0.00 C ATOM 76 C ASP A 7 8.940 6.605 2.871 1.00 0.00 C ATOM 77 O ASP A 7 8.863 5.892 1.890 1.00 0.00 O ATOM 78 CB ASP A 7 7.199 8.141 1.900 1.00 0.00 C ATOM 79 CG ASP A 7 6.854 9.613 1.673 1.00 0.00 C ATOM 80 OD1 ASP A 7 7.104 10.404 2.568 1.00 0.00 O ATOM 81 OD2 ASP A 7 6.345 9.925 0.609 1.00 0.00 O ATOM 0 H ASP A 7 9.519 8.909 1.259 1.00 0.00 H new ATOM 0 HA ASP A 7 8.135 8.296 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.426 7.659 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.343 7.618 2.326 1.00 0.00 H new ATOM 86 N PRO A 8 9.471 6.231 4.002 1.00 0.00 N ATOM 87 CA PRO A 8 10.034 4.870 4.165 1.00 0.00 C ATOM 88 C PRO A 8 8.910 3.832 4.237 1.00 0.00 C ATOM 89 O PRO A 8 9.139 2.646 4.105 1.00 0.00 O ATOM 90 CB PRO A 8 10.788 4.949 5.489 1.00 0.00 C ATOM 91 CG PRO A 8 10.129 6.058 6.244 1.00 0.00 C ATOM 92 CD PRO A 8 9.598 7.033 5.224 1.00 0.00 C ATOM 0 HA PRO A 8 10.673 4.568 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.726 4.008 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.846 5.155 5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.321 5.673 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.840 6.546 6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.638 7.449 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.278 7.873 5.082 1.00 0.00 H new ATOM 100 N ARG A 9 7.697 4.268 4.445 1.00 0.00 N ATOM 101 CA ARG A 9 6.567 3.314 4.524 1.00 0.00 C ATOM 102 C ARG A 9 6.107 2.942 3.125 1.00 0.00 C ATOM 103 O ARG A 9 5.476 1.926 2.908 1.00 0.00 O ATOM 104 CB ARG A 9 5.476 4.086 5.256 1.00 0.00 C ATOM 105 CG ARG A 9 5.231 5.420 4.546 1.00 0.00 C ATOM 106 CD ARG A 9 5.605 6.573 5.480 1.00 0.00 C ATOM 107 NE ARG A 9 4.504 6.631 6.482 1.00 0.00 N ATOM 108 CZ ARG A 9 4.160 7.774 7.008 1.00 0.00 C ATOM 109 NH1 ARG A 9 3.973 8.815 6.243 1.00 0.00 N ATOM 110 NH2 ARG A 9 4.005 7.877 8.299 1.00 0.00 N ATOM 0 H ARG A 9 7.445 5.249 4.563 1.00 0.00 H new ATOM 0 HA ARG A 9 6.829 2.385 5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.557 3.501 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.771 4.261 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.823 5.472 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.184 5.501 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.567 6.395 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.691 7.512 4.933 1.00 0.00 H new ATOM 0 HE ARG A 9 4.019 5.777 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.096 8.735 5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.704 9.709 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.153 7.064 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.736 8.771 8.711 1.00 0.00 H new ATOM 124 N LEU A 10 6.425 3.760 2.175 1.00 0.00 N ATOM 125 CA LEU A 10 6.018 3.469 0.780 1.00 0.00 C ATOM 126 C LEU A 10 6.880 2.343 0.226 1.00 0.00 C ATOM 127 O LEU A 10 6.378 1.346 -0.255 1.00 0.00 O ATOM 128 CB LEU A 10 6.248 4.779 0.025 1.00 0.00 C ATOM 129 CG LEU A 10 5.981 4.565 -1.466 1.00 0.00 C ATOM 130 CD1 LEU A 10 5.354 5.827 -2.060 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.301 4.270 -2.182 1.00 0.00 C ATOM 0 H LEU A 10 6.952 4.624 2.302 1.00 0.00 H new ATOM 0 HA LEU A 10 4.982 3.142 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.590 5.556 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.271 5.123 0.176 1.00 0.00 H new ATOM 0 HG LEU A 10 5.299 3.725 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.164 5.674 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.414 6.041 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.036 6.667 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.112 4.117 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.982 5.111 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.751 3.371 -1.760 1.00 0.00 H new ATOM 143 N ILE A 11 8.171 2.471 0.311 1.00 0.00 N ATOM 144 CA ILE A 11 9.042 1.395 -0.182 1.00 0.00 C ATOM 145 C ILE A 11 8.825 0.158 0.683 1.00 0.00 C ATOM 146 O ILE A 11 8.925 -0.961 0.219 1.00 0.00 O ATOM 147 CB ILE A 11 10.445 1.957 -0.014 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.665 3.077 -1.033 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.457 0.849 -0.234 1.00 0.00 C ATOM 150 CD1 ILE A 11 12.126 3.530 -0.998 1.00 0.00 C ATOM 0 H ILE A 11 8.654 3.279 0.703 1.00 0.00 H new ATOM 0 HA ILE A 11 8.851 1.099 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 11 10.567 2.359 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.407 2.727 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.008 3.918 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.465 1.247 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.292 0.055 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.343 0.447 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.277 4.328 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.369 3.897 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.774 2.688 -1.243 1.00 0.00 H new ATOM 162 N GLU A 12 8.500 0.349 1.934 1.00 0.00 N ATOM 163 CA GLU A 12 8.249 -0.815 2.806 1.00 0.00 C ATOM 164 C GLU A 12 6.998 -1.535 2.317 1.00 0.00 C ATOM 165 O GLU A 12 7.019 -2.719 2.047 1.00 0.00 O ATOM 166 CB GLU A 12 8.028 -0.245 4.193 1.00 0.00 C ATOM 167 CG GLU A 12 9.110 -0.765 5.143 1.00 0.00 C ATOM 168 CD GLU A 12 8.484 -1.731 6.151 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.799 -1.262 7.045 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.702 -2.923 6.014 1.00 0.00 O ATOM 0 H GLU A 12 8.400 1.261 2.381 1.00 0.00 H new ATOM 0 HA GLU A 12 9.072 -1.530 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.054 0.844 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.041 -0.528 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.893 -1.270 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.581 0.068 5.666 1.00 0.00 H new ATOM 177 N SER A 13 5.908 -0.826 2.182 1.00 0.00 N ATOM 178 CA SER A 13 4.677 -1.472 1.694 1.00 0.00 C ATOM 179 C SER A 13 4.957 -2.172 0.369 1.00 0.00 C ATOM 180 O SER A 13 4.497 -3.270 0.128 1.00 0.00 O ATOM 181 CB SER A 13 3.696 -0.328 1.484 1.00 0.00 C ATOM 182 OG SER A 13 2.699 -0.737 0.557 1.00 0.00 O ATOM 0 H SER A 13 5.827 0.169 2.391 1.00 0.00 H new ATOM 0 HA SER A 13 4.293 -2.221 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.236 -0.048 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.219 0.552 1.110 1.00 0.00 H new ATOM 0 HG SER A 13 2.826 -0.262 -0.291 1.00 0.00 H new ATOM 188 N LEU A 14 5.709 -1.547 -0.496 1.00 0.00 N ATOM 189 CA LEU A 14 6.005 -2.195 -1.798 1.00 0.00 C ATOM 190 C LEU A 14 6.778 -3.484 -1.558 1.00 0.00 C ATOM 191 O LEU A 14 6.608 -4.457 -2.264 1.00 0.00 O ATOM 192 CB LEU A 14 6.851 -1.184 -2.572 1.00 0.00 C ATOM 193 CG LEU A 14 6.023 -0.593 -3.714 1.00 0.00 C ATOM 194 CD1 LEU A 14 5.721 -1.683 -4.743 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.708 -0.042 -3.156 1.00 0.00 C ATOM 0 H LEU A 14 6.125 -0.626 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 14 5.103 -2.458 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.189 -0.391 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.743 -1.669 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 14 6.583 0.211 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.131 -1.262 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.656 -2.078 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.160 -2.487 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.116 0.380 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.149 -0.848 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.921 0.735 -2.422 1.00 0.00 H new ATOM 207 N SER A 15 7.613 -3.516 -0.559 1.00 0.00 N ATOM 208 CA SER A 15 8.366 -4.757 -0.288 1.00 0.00 C ATOM 209 C SER A 15 7.437 -5.779 0.356 1.00 0.00 C ATOM 210 O SER A 15 7.474 -6.953 0.041 1.00 0.00 O ATOM 211 CB SER A 15 9.490 -4.356 0.668 1.00 0.00 C ATOM 212 OG SER A 15 9.649 -5.366 1.655 1.00 0.00 O ATOM 0 H SER A 15 7.802 -2.739 0.074 1.00 0.00 H new ATOM 0 HA SER A 15 8.769 -5.210 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.421 -4.220 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.258 -3.402 1.141 1.00 0.00 H new ATOM 0 HG SER A 15 10.370 -5.113 2.269 1.00 0.00 H new ATOM 218 N GLN A 16 6.595 -5.344 1.250 1.00 0.00 N ATOM 219 CA GLN A 16 5.667 -6.281 1.898 1.00 0.00 C ATOM 220 C GLN A 16 4.513 -6.606 0.950 1.00 0.00 C ATOM 221 O GLN A 16 3.953 -7.683 0.992 1.00 0.00 O ATOM 222 CB GLN A 16 5.203 -5.540 3.158 1.00 0.00 C ATOM 223 CG GLN A 16 3.923 -4.748 2.883 1.00 0.00 C ATOM 224 CD GLN A 16 2.709 -5.612 3.224 1.00 0.00 C ATOM 225 OE1 GLN A 16 2.817 -6.559 3.978 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.551 -5.326 2.700 1.00 0.00 N ATOM 0 H GLN A 16 6.517 -4.374 1.554 1.00 0.00 H new ATOM 0 HA GLN A 16 6.117 -7.241 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.028 -6.255 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.988 -4.864 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.912 -3.835 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.886 -4.447 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.460 -4.531 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.736 -5.897 2.923 1.00 0.00 H new ATOM 235 N MET A 17 4.165 -5.698 0.076 1.00 0.00 N ATOM 236 CA MET A 17 3.074 -5.991 -0.870 1.00 0.00 C ATOM 237 C MET A 17 3.657 -6.767 -2.048 1.00 0.00 C ATOM 238 O MET A 17 2.949 -7.436 -2.776 1.00 0.00 O ATOM 239 CB MET A 17 2.543 -4.627 -1.294 1.00 0.00 C ATOM 240 CG MET A 17 1.670 -4.054 -0.175 1.00 0.00 C ATOM 241 SD MET A 17 0.604 -2.753 -0.844 1.00 0.00 S ATOM 242 CE MET A 17 -0.978 -3.571 -0.518 1.00 0.00 C ATOM 0 H MET A 17 4.591 -4.776 -0.016 1.00 0.00 H new ATOM 0 HA MET A 17 2.273 -6.597 -0.448 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.372 -3.951 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.963 -4.719 -2.212 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.063 -4.844 0.267 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.298 -3.651 0.620 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.777 -2.830 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.171 -4.312 -1.294 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.939 -4.064 0.453 1.00 0.00 H new ATOM 252 N LEU A 18 4.955 -6.710 -2.223 1.00 0.00 N ATOM 253 CA LEU A 18 5.579 -7.478 -3.333 1.00 0.00 C ATOM 254 C LEU A 18 5.664 -8.942 -2.921 1.00 0.00 C ATOM 255 O LEU A 18 5.724 -9.834 -3.745 1.00 0.00 O ATOM 256 CB LEU A 18 6.975 -6.877 -3.520 1.00 0.00 C ATOM 257 CG LEU A 18 7.725 -7.630 -4.625 1.00 0.00 C ATOM 258 CD1 LEU A 18 8.206 -8.982 -4.094 1.00 0.00 C ATOM 259 CD2 LEU A 18 6.792 -7.857 -5.818 1.00 0.00 C ATOM 0 H LEU A 18 5.600 -6.168 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 18 5.011 -7.424 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.894 -5.821 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.533 -6.935 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 18 8.584 -7.038 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.738 -9.514 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.874 -8.824 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.348 -9.573 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.328 -8.392 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.931 -8.445 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.452 -6.895 -6.202 1.00 0.00 H new ATOM 271 N SER A 19 5.649 -9.191 -1.643 1.00 0.00 N ATOM 272 CA SER A 19 5.708 -10.596 -1.154 1.00 0.00 C ATOM 273 C SER A 19 4.336 -11.002 -0.619 1.00 0.00 C ATOM 274 O SER A 19 4.208 -11.915 0.173 1.00 0.00 O ATOM 275 CB SER A 19 6.747 -10.592 -0.035 1.00 0.00 C ATOM 276 OG SER A 19 8.045 -10.454 -0.598 1.00 0.00 O ATOM 0 H SER A 19 5.598 -8.480 -0.913 1.00 0.00 H new ATOM 0 HA SER A 19 5.976 -11.304 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.550 -9.773 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.684 -11.517 0.539 1.00 0.00 H new ATOM 0 HG SER A 19 8.714 -10.449 0.119 1.00 0.00 H new ATOM 282 N MET A 20 3.311 -10.322 -1.048 1.00 0.00 N ATOM 283 CA MET A 20 1.941 -10.652 -0.572 1.00 0.00 C ATOM 284 C MET A 20 1.157 -11.374 -1.661 1.00 0.00 C ATOM 285 O MET A 20 0.749 -12.509 -1.510 1.00 0.00 O ATOM 286 CB MET A 20 1.305 -9.310 -0.250 1.00 0.00 C ATOM 287 CG MET A 20 1.175 -9.156 1.267 1.00 0.00 C ATOM 288 SD MET A 20 -0.168 -10.209 1.870 1.00 0.00 S ATOM 289 CE MET A 20 0.853 -11.352 2.832 1.00 0.00 C ATOM 0 H MET A 20 3.364 -9.548 -1.711 1.00 0.00 H new ATOM 0 HA MET A 20 1.954 -11.315 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.912 -8.501 -0.657 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.323 -9.239 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.112 -9.430 1.752 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.977 -8.115 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.310 -11.662 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.087 -12.228 2.227 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.778 -10.855 3.124 1.00 0.00 H new ATOM 299 N GLY A 21 0.929 -10.709 -2.746 1.00 0.00 N ATOM 300 CA GLY A 21 0.157 -11.310 -3.854 1.00 0.00 C ATOM 301 C GLY A 21 -0.985 -10.369 -4.167 1.00 0.00 C ATOM 302 O GLY A 21 -2.124 -10.765 -4.319 1.00 0.00 O ATOM 0 H GLY A 21 1.251 -9.756 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.789 -11.452 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.221 -12.292 -3.571 1.00 0.00 H new ATOM 306 N PHE A 22 -0.682 -9.113 -4.208 1.00 0.00 N ATOM 307 CA PHE A 22 -1.725 -8.101 -4.446 1.00 0.00 C ATOM 308 C PHE A 22 -1.792 -7.656 -5.900 1.00 0.00 C ATOM 309 O PHE A 22 -1.042 -8.091 -6.751 1.00 0.00 O ATOM 310 CB PHE A 22 -1.316 -6.946 -3.541 1.00 0.00 C ATOM 311 CG PHE A 22 -1.738 -7.272 -2.138 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.009 -7.804 -1.907 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.861 -7.057 -1.070 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.404 -8.115 -0.608 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.262 -7.370 0.231 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.538 -7.898 0.458 1.00 0.00 C ATOM 0 H PHE A 22 0.259 -8.740 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.721 -8.489 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.238 -6.792 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.785 -6.020 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.683 -7.974 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.123 -6.650 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.386 -8.526 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.589 -7.205 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.851 -8.137 1.464 1.00 0.00 H new ATOM 326 N SER A 23 -2.721 -6.791 -6.167 1.00 0.00 N ATOM 327 CA SER A 23 -2.929 -6.272 -7.537 1.00 0.00 C ATOM 328 C SER A 23 -2.469 -4.816 -7.638 1.00 0.00 C ATOM 329 O SER A 23 -1.578 -4.381 -6.937 1.00 0.00 O ATOM 330 CB SER A 23 -4.439 -6.354 -7.750 1.00 0.00 C ATOM 331 OG SER A 23 -4.712 -7.127 -8.910 1.00 0.00 O ATOM 0 H SER A 23 -3.363 -6.412 -5.471 1.00 0.00 H new ATOM 0 HA SER A 23 -2.365 -6.836 -8.280 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.916 -6.804 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.856 -5.353 -7.860 1.00 0.00 H new ATOM 0 HG SER A 23 -5.681 -7.181 -9.046 1.00 0.00 H new ATOM 337 N ASP A 24 -3.084 -4.061 -8.508 1.00 0.00 N ATOM 338 CA ASP A 24 -2.703 -2.632 -8.663 1.00 0.00 C ATOM 339 C ASP A 24 -3.830 -1.863 -9.353 1.00 0.00 C ATOM 340 O ASP A 24 -3.589 -0.994 -10.165 1.00 0.00 O ATOM 341 CB ASP A 24 -1.453 -2.650 -9.539 1.00 0.00 C ATOM 342 CG ASP A 24 -0.434 -1.643 -9.003 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.853 -0.684 -8.375 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.747 -1.847 -9.229 1.00 0.00 O ATOM 0 H ASP A 24 -3.837 -4.376 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.522 -2.144 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.019 -3.650 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.715 -2.404 -10.568 1.00 0.00 H new ATOM 349 N GLU A 25 -5.060 -2.173 -9.040 1.00 0.00 N ATOM 350 CA GLU A 25 -6.190 -1.446 -9.685 1.00 0.00 C ATOM 351 C GLU A 25 -5.905 0.055 -9.663 1.00 0.00 C ATOM 352 O GLU A 25 -5.485 0.598 -8.660 1.00 0.00 O ATOM 353 CB GLU A 25 -7.419 -1.777 -8.834 1.00 0.00 C ATOM 354 CG GLU A 25 -8.015 -3.109 -9.294 1.00 0.00 C ATOM 355 CD GLU A 25 -9.265 -2.846 -10.136 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.546 -1.689 -10.399 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.920 -3.807 -10.504 1.00 0.00 O ATOM 0 H GLU A 25 -5.329 -2.893 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.337 -1.735 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.141 -1.835 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.161 -0.984 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.281 -3.666 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.268 -3.724 -8.430 1.00 0.00 H new ATOM 364 N GLY A 26 -6.108 0.732 -10.758 1.00 0.00 N ATOM 365 CA GLY A 26 -5.820 2.192 -10.779 1.00 0.00 C ATOM 366 C GLY A 26 -4.421 2.414 -10.204 1.00 0.00 C ATOM 367 O GLY A 26 -4.102 3.470 -9.695 1.00 0.00 O ATOM 0 H GLY A 26 -6.458 0.341 -11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.877 2.576 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.562 2.734 -10.192 1.00 0.00 H new ATOM 371 N GLY A 27 -3.587 1.412 -10.282 1.00 0.00 N ATOM 372 CA GLY A 27 -2.208 1.533 -9.747 1.00 0.00 C ATOM 373 C GLY A 27 -2.256 1.974 -8.283 1.00 0.00 C ATOM 374 O GLY A 27 -1.697 2.987 -7.916 1.00 0.00 O ATOM 0 H GLY A 27 -3.808 0.508 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.690 0.577 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.642 2.255 -10.335 1.00 0.00 H new ATOM 378 N TRP A 28 -2.924 1.230 -7.437 1.00 0.00 N ATOM 379 CA TRP A 28 -3.001 1.629 -6.015 1.00 0.00 C ATOM 380 C TRP A 28 -1.803 1.095 -5.228 1.00 0.00 C ATOM 381 O TRP A 28 -1.397 1.682 -4.248 1.00 0.00 O ATOM 382 CB TRP A 28 -4.322 1.047 -5.512 1.00 0.00 C ATOM 383 CG TRP A 28 -4.320 -0.442 -5.537 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.094 -1.186 -6.341 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.568 -1.369 -4.724 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.854 -2.525 -6.089 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.918 -2.687 -5.096 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.623 -1.199 -3.719 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.345 -3.795 -4.482 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -2.048 -2.296 -3.099 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.402 -3.598 -3.473 1.00 0.00 C ATOM 0 H TRP A 28 -3.415 0.368 -7.676 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.970 2.711 -5.887 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.507 1.392 -4.495 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.140 1.419 -6.128 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.793 -0.801 -7.069 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.313 -3.294 -6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.334 -0.202 -3.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.626 -4.794 -4.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.318 -2.145 -2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.947 -4.446 -2.983 1.00 0.00 H new ATOM 402 N LEU A 29 -1.211 0.009 -5.637 1.00 0.00 N ATOM 403 CA LEU A 29 -0.034 -0.489 -4.875 1.00 0.00 C ATOM 404 C LEU A 29 0.922 0.679 -4.625 1.00 0.00 C ATOM 405 O LEU A 29 1.678 0.691 -3.673 1.00 0.00 O ATOM 406 CB LEU A 29 0.600 -1.562 -5.761 1.00 0.00 C ATOM 407 CG LEU A 29 0.398 -2.928 -5.101 1.00 0.00 C ATOM 408 CD1 LEU A 29 0.941 -4.037 -6.001 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.137 -2.959 -3.764 1.00 0.00 C ATOM 0 H LEU A 29 -1.483 -0.546 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.295 -0.905 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.146 -1.550 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.663 -1.361 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.668 -3.089 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.791 -5.003 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.414 -4.022 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.006 -3.878 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.995 -3.931 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.201 -2.790 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.744 -2.178 -3.113 1.00 0.00 H new ATOM 421 N THR A 30 0.874 1.676 -5.469 1.00 0.00 N ATOM 422 CA THR A 30 1.753 2.866 -5.283 1.00 0.00 C ATOM 423 C THR A 30 0.956 4.032 -4.681 1.00 0.00 C ATOM 424 O THR A 30 1.441 4.756 -3.833 1.00 0.00 O ATOM 425 CB THR A 30 2.245 3.219 -6.688 1.00 0.00 C ATOM 426 OG1 THR A 30 2.867 2.082 -7.270 1.00 0.00 O ATOM 427 CG2 THR A 30 3.251 4.368 -6.604 1.00 0.00 C ATOM 0 H THR A 30 0.260 1.716 -6.283 1.00 0.00 H new ATOM 0 HA THR A 30 2.578 2.665 -4.600 1.00 0.00 H new ATOM 0 HB THR A 30 1.399 3.525 -7.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.181 2.306 -8.171 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.601 4.619 -7.605 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.772 5.239 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.098 4.066 -5.989 1.00 0.00 H new ATOM 435 N ARG A 31 -0.261 4.228 -5.124 1.00 0.00 N ATOM 436 CA ARG A 31 -1.088 5.356 -4.589 1.00 0.00 C ATOM 437 C ARG A 31 -1.953 4.888 -3.416 1.00 0.00 C ATOM 438 O ARG A 31 -2.149 5.619 -2.467 1.00 0.00 O ATOM 439 CB ARG A 31 -1.968 5.788 -5.762 1.00 0.00 C ATOM 440 CG ARG A 31 -2.198 7.299 -5.698 1.00 0.00 C ATOM 441 CD ARG A 31 -2.499 7.830 -7.103 1.00 0.00 C ATOM 442 NE ARG A 31 -3.530 6.906 -7.651 1.00 0.00 N ATOM 443 CZ ARG A 31 -4.701 7.366 -7.994 1.00 0.00 C ATOM 444 NH1 ARG A 31 -4.805 8.222 -8.973 1.00 0.00 N ATOM 445 NH2 ARG A 31 -5.769 6.970 -7.357 1.00 0.00 N ATOM 0 H ARG A 31 -0.719 3.656 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.470 6.171 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.491 5.522 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.922 5.262 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.028 7.523 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.317 7.795 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.867 8.855 -7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.603 7.834 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.320 5.914 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.970 8.532 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.721 8.582 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.687 6.301 -6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.685 7.329 -7.625 1.00 0.00 H new ATOM 459 N LEU A 32 -2.468 3.678 -3.476 1.00 0.00 N ATOM 460 CA LEU A 32 -3.322 3.153 -2.359 1.00 0.00 C ATOM 461 C LEU A 32 -2.828 3.715 -1.036 1.00 0.00 C ATOM 462 O LEU A 32 -3.496 4.482 -0.371 1.00 0.00 O ATOM 463 CB LEU A 32 -3.112 1.646 -2.352 1.00 0.00 C ATOM 464 CG LEU A 32 -3.984 1.020 -1.264 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.230 0.402 -1.899 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.188 -0.065 -0.535 1.00 0.00 C ATOM 0 H LEU A 32 -2.332 3.031 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.368 3.428 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.368 1.227 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.062 1.414 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.285 1.789 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.851 -0.044 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.797 1.176 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.932 -0.367 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.809 -0.512 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.886 -0.834 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.302 0.377 -0.080 1.00 0.00 H new ATOM 478 N LEU A 33 -1.632 3.355 -0.676 1.00 0.00 N ATOM 479 CA LEU A 33 -1.041 3.876 0.567 1.00 0.00 C ATOM 480 C LEU A 33 -1.270 5.374 0.615 1.00 0.00 C ATOM 481 O LEU A 33 -1.947 5.891 1.476 1.00 0.00 O ATOM 482 CB LEU A 33 0.435 3.575 0.408 1.00 0.00 C ATOM 483 CG LEU A 33 0.637 2.078 0.196 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.097 1.818 -1.238 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.708 1.578 1.156 1.00 0.00 C ATOM 0 H LEU A 33 -1.037 2.714 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.459 3.445 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.839 4.129 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.980 3.903 1.293 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.303 1.557 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.240 0.748 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.342 2.182 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.038 2.338 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.857 0.508 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.643 2.104 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.392 1.763 2.183 1.00 0.00 H new ATOM 497 N GLN A 34 -0.719 6.070 -0.332 1.00 0.00 N ATOM 498 CA GLN A 34 -0.902 7.528 -0.385 1.00 0.00 C ATOM 499 C GLN A 34 -2.388 7.864 -0.223 1.00 0.00 C ATOM 500 O GLN A 34 -2.744 8.896 0.311 1.00 0.00 O ATOM 501 CB GLN A 34 -0.389 7.901 -1.768 1.00 0.00 C ATOM 502 CG GLN A 34 1.115 8.169 -1.699 1.00 0.00 C ATOM 503 CD GLN A 34 1.498 9.210 -2.750 1.00 0.00 C ATOM 504 OE1 GLN A 34 0.678 10.009 -3.157 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.719 9.235 -3.213 1.00 0.00 N ATOM 0 H GLN A 34 -0.143 5.680 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.380 8.070 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.594 7.095 -2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.910 8.785 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.386 8.524 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.668 7.245 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.408 8.565 -2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.984 9.925 -3.916 1.00 0.00 H new ATOM 514 N THR A 35 -3.261 6.992 -0.665 1.00 0.00 N ATOM 515 CA THR A 35 -4.712 7.263 -0.514 1.00 0.00 C ATOM 516 C THR A 35 -5.152 6.924 0.912 1.00 0.00 C ATOM 517 O THR A 35 -6.154 7.410 1.399 1.00 0.00 O ATOM 518 CB THR A 35 -5.411 6.355 -1.524 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.454 5.545 -2.191 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.160 7.208 -2.549 1.00 0.00 C ATOM 0 H THR A 35 -3.027 6.110 -1.121 1.00 0.00 H new ATOM 0 HA THR A 35 -4.956 8.310 -0.691 1.00 0.00 H new ATOM 0 HB THR A 35 -6.118 5.714 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.778 6.116 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.658 6.558 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.903 7.821 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.454 7.853 -3.071 1.00 0.00 H new ATOM 528 N LYS A 36 -4.402 6.093 1.584 1.00 0.00 N ATOM 529 CA LYS A 36 -4.760 5.714 2.981 1.00 0.00 C ATOM 530 C LYS A 36 -3.522 5.799 3.880 1.00 0.00 C ATOM 531 O LYS A 36 -3.363 5.036 4.811 1.00 0.00 O ATOM 532 CB LYS A 36 -5.257 4.272 2.883 1.00 0.00 C ATOM 533 CG LYS A 36 -6.786 4.255 2.941 1.00 0.00 C ATOM 534 CD LYS A 36 -7.285 2.816 2.796 1.00 0.00 C ATOM 535 CE LYS A 36 -8.391 2.764 1.740 1.00 0.00 C ATOM 536 NZ LYS A 36 -7.682 2.523 0.452 1.00 0.00 N ATOM 0 H LYS A 36 -3.553 5.658 1.224 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.513 6.374 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.913 3.820 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.845 3.678 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.130 4.677 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.198 4.876 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.462 2.162 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.663 2.453 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.104 1.967 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.954 3.697 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.375 2.475 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.015 3.301 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.160 1.625 0.506 1.00 0.00 H new ATOM 550 N ASN A 37 -2.648 6.729 3.610 1.00 0.00 N ATOM 551 CA ASN A 37 -1.424 6.874 4.444 1.00 0.00 C ATOM 552 C ASN A 37 -0.751 5.513 4.666 1.00 0.00 C ATOM 553 O ASN A 37 -0.716 5.012 5.773 1.00 0.00 O ATOM 554 CB ASN A 37 -1.929 7.448 5.764 1.00 0.00 C ATOM 555 CG ASN A 37 -0.757 7.631 6.729 1.00 0.00 C ATOM 556 OD1 ASN A 37 0.298 7.059 6.538 1.00 0.00 O ATOM 557 ND2 ASN A 37 -0.898 8.412 7.765 1.00 0.00 N ATOM 0 H ASN A 37 -2.730 7.397 2.844 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.675 7.511 3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.422 8.404 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.672 6.781 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.123 8.542 8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.784 8.892 7.925 1.00 0.00 H new ATOM 564 N TYR A 38 -0.192 4.932 3.628 1.00 0.00 N ATOM 565 CA TYR A 38 0.509 3.619 3.767 1.00 0.00 C ATOM 566 C TYR A 38 -0.115 2.758 4.858 1.00 0.00 C ATOM 567 O TYR A 38 0.540 2.270 5.757 1.00 0.00 O ATOM 568 CB TYR A 38 1.947 4.022 4.048 1.00 0.00 C ATOM 569 CG TYR A 38 2.373 4.810 2.842 1.00 0.00 C ATOM 570 CD1 TYR A 38 1.966 6.142 2.691 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.104 4.188 1.834 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.290 6.845 1.535 1.00 0.00 C ATOM 573 CE2 TYR A 38 3.432 4.893 0.680 1.00 0.00 C ATOM 574 CZ TYR A 38 3.024 6.222 0.524 1.00 0.00 C ATOM 575 OH TYR A 38 3.349 6.916 -0.625 1.00 0.00 O ATOM 0 H TYR A 38 -0.193 5.317 2.684 1.00 0.00 H new ATOM 0 HA TYR A 38 0.435 2.986 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.019 4.621 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.581 3.147 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.399 6.624 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.416 3.160 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.974 7.871 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.004 4.412 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 38 4.103 7.515 -0.443 1.00 0.00 H new ATOM 585 N ASP A 39 -1.397 2.559 4.745 1.00 0.00 N ATOM 586 CA ASP A 39 -2.138 1.712 5.722 1.00 0.00 C ATOM 587 C ASP A 39 -2.270 0.295 5.165 1.00 0.00 C ATOM 588 O ASP A 39 -3.230 -0.396 5.440 1.00 0.00 O ATOM 589 CB ASP A 39 -3.514 2.364 5.836 1.00 0.00 C ATOM 590 CG ASP A 39 -3.574 3.221 7.102 1.00 0.00 C ATOM 591 OD1 ASP A 39 -2.525 3.641 7.559 1.00 0.00 O ATOM 592 OD2 ASP A 39 -4.670 3.442 7.592 1.00 0.00 O ATOM 0 H ASP A 39 -1.974 2.955 4.003 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.637 1.642 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.709 2.980 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.289 1.598 5.866 1.00 0.00 H new ATOM 597 N ILE A 40 -1.325 -0.143 4.368 1.00 0.00 N ATOM 598 CA ILE A 40 -1.433 -1.516 3.791 1.00 0.00 C ATOM 599 C ILE A 40 -1.888 -2.501 4.862 1.00 0.00 C ATOM 600 O ILE A 40 -2.469 -3.513 4.560 1.00 0.00 O ATOM 601 CB ILE A 40 -0.056 -1.905 3.247 1.00 0.00 C ATOM 602 CG1 ILE A 40 1.062 -1.245 4.054 1.00 0.00 C ATOM 603 CG2 ILE A 40 0.051 -1.472 1.785 1.00 0.00 C ATOM 604 CD1 ILE A 40 2.380 -1.949 3.729 1.00 0.00 C ATOM 0 H ILE A 40 -0.495 0.384 4.096 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.170 -1.537 2.988 1.00 0.00 H new ATOM 0 HB ILE A 40 0.054 -2.986 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.129 -0.185 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.850 -1.314 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.031 -1.748 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.725 -1.967 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.077 -0.392 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.188 -1.489 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.304 -3.004 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.588 -1.857 2.663 1.00 0.00 H new ATOM 616 N GLY A 41 -1.664 -2.215 6.113 1.00 0.00 N ATOM 617 CA GLY A 41 -2.146 -3.157 7.158 1.00 0.00 C ATOM 618 C GLY A 41 -3.668 -3.064 7.165 1.00 0.00 C ATOM 619 O GLY A 41 -4.369 -4.052 7.078 1.00 0.00 O ATOM 0 H GLY A 41 -1.177 -1.386 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.822 -4.175 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.738 -2.894 8.134 1.00 0.00 H new ATOM 623 N ALA A 42 -4.173 -1.866 7.219 1.00 0.00 N ATOM 624 CA ALA A 42 -5.637 -1.663 7.173 1.00 0.00 C ATOM 625 C ALA A 42 -6.094 -1.899 5.742 1.00 0.00 C ATOM 626 O ALA A 42 -7.128 -2.485 5.490 1.00 0.00 O ATOM 627 CB ALA A 42 -5.833 -0.202 7.583 1.00 0.00 C ATOM 0 H ALA A 42 -3.623 -1.010 7.294 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.204 -2.332 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.896 0.038 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.432 -0.048 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.310 0.446 6.880 1.00 0.00 H new ATOM 633 N ALA A 43 -5.299 -1.477 4.801 1.00 0.00 N ATOM 634 CA ALA A 43 -5.648 -1.705 3.381 1.00 0.00 C ATOM 635 C ALA A 43 -5.570 -3.205 3.110 1.00 0.00 C ATOM 636 O ALA A 43 -6.333 -3.747 2.345 1.00 0.00 O ATOM 637 CB ALA A 43 -4.590 -0.949 2.578 1.00 0.00 C ATOM 0 H ALA A 43 -4.421 -0.983 4.959 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.649 -1.363 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.785 -1.073 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.627 0.110 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.602 -1.344 2.815 1.00 0.00 H new ATOM 643 N LEU A 44 -4.658 -3.883 3.757 1.00 0.00 N ATOM 644 CA LEU A 44 -4.540 -5.352 3.556 1.00 0.00 C ATOM 645 C LEU A 44 -5.926 -5.972 3.562 1.00 0.00 C ATOM 646 O LEU A 44 -6.168 -6.992 2.951 1.00 0.00 O ATOM 647 CB LEU A 44 -3.728 -5.848 4.747 1.00 0.00 C ATOM 648 CG LEU A 44 -2.402 -6.449 4.272 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.666 -7.842 3.713 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.768 -5.577 3.175 1.00 0.00 C ATOM 0 H LEU A 44 -3.991 -3.480 4.415 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.067 -5.613 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.536 -5.024 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.298 -6.596 5.298 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.714 -6.499 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.728 -8.281 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.098 -8.471 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.360 -7.772 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.827 -6.024 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.447 -5.510 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.579 -4.578 3.568 1.00 0.00 H new ATOM 662 N ASP A 45 -6.842 -5.357 4.245 1.00 0.00 N ATOM 663 CA ASP A 45 -8.215 -5.906 4.285 1.00 0.00 C ATOM 664 C ASP A 45 -8.895 -5.636 2.947 1.00 0.00 C ATOM 665 O ASP A 45 -9.639 -6.448 2.434 1.00 0.00 O ATOM 666 CB ASP A 45 -8.883 -5.184 5.479 1.00 0.00 C ATOM 667 CG ASP A 45 -10.087 -4.351 5.018 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.876 -3.228 4.593 1.00 0.00 O ATOM 669 OD2 ASP A 45 -11.196 -4.853 5.099 1.00 0.00 O ATOM 0 H ASP A 45 -6.698 -4.498 4.777 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.269 -6.986 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.206 -5.918 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.156 -4.537 5.970 1.00 0.00 H new ATOM 674 N THR A 46 -8.606 -4.520 2.366 1.00 0.00 N ATOM 675 CA THR A 46 -9.180 -4.197 1.047 1.00 0.00 C ATOM 676 C THR A 46 -8.206 -4.682 -0.026 1.00 0.00 C ATOM 677 O THR A 46 -8.560 -4.846 -1.175 1.00 0.00 O ATOM 678 CB THR A 46 -9.347 -2.663 1.037 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.724 -2.348 0.891 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.559 -2.022 -0.119 1.00 0.00 C ATOM 0 H THR A 46 -7.988 -3.808 2.754 1.00 0.00 H new ATOM 0 HA THR A 46 -10.140 -4.675 0.853 1.00 0.00 H new ATOM 0 HB THR A 46 -8.960 -2.269 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.838 -1.375 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.697 -0.941 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.500 -2.254 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.921 -2.416 -1.069 1.00 0.00 H new ATOM 688 N ILE A 47 -6.978 -4.911 0.352 1.00 0.00 N ATOM 689 CA ILE A 47 -5.980 -5.379 -0.627 1.00 0.00 C ATOM 690 C ILE A 47 -6.021 -6.908 -0.720 1.00 0.00 C ATOM 691 O ILE A 47 -5.619 -7.488 -1.707 1.00 0.00 O ATOM 692 CB ILE A 47 -4.666 -4.856 -0.096 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.793 -3.343 0.001 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.537 -5.199 -1.063 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.797 -2.736 -1.404 1.00 0.00 C ATOM 0 H ILE A 47 -6.630 -4.791 1.303 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.157 -5.024 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.442 -5.301 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.711 -3.078 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.966 -2.935 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.594 -4.818 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.472 -6.281 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.738 -4.744 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.888 -1.652 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.867 -2.989 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.639 -3.134 -1.970 1.00 0.00 H new ATOM 707 N GLN A 48 -6.542 -7.581 0.281 1.00 0.00 N ATOM 708 CA GLN A 48 -6.632 -9.054 0.171 1.00 0.00 C ATOM 709 C GLN A 48 -8.038 -9.437 -0.282 1.00 0.00 C ATOM 710 O GLN A 48 -8.315 -10.584 -0.572 1.00 0.00 O ATOM 711 CB GLN A 48 -6.310 -9.618 1.545 1.00 0.00 C ATOM 712 CG GLN A 48 -5.404 -10.844 1.381 1.00 0.00 C ATOM 713 CD GLN A 48 -3.934 -10.411 1.428 1.00 0.00 C ATOM 714 OE1 GLN A 48 -3.473 -9.912 2.435 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.171 -10.583 0.378 1.00 0.00 N ATOM 0 H GLN A 48 -6.899 -7.176 1.147 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.934 -9.456 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.815 -8.863 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.228 -9.895 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.606 -11.566 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.617 -11.341 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.556 -11.002 -0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.192 -10.298 0.407 1.00 0.00 H new ATOM 724 N TYR A 49 -8.918 -8.468 -0.373 1.00 0.00 N ATOM 725 CA TYR A 49 -10.306 -8.742 -0.838 1.00 0.00 C ATOM 726 C TYR A 49 -10.786 -10.112 -0.344 1.00 0.00 C ATOM 727 O TYR A 49 -10.842 -11.067 -1.093 1.00 0.00 O ATOM 728 CB TYR A 49 -10.194 -8.727 -2.362 1.00 0.00 C ATOM 729 CG TYR A 49 -9.460 -7.481 -2.814 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.069 -7.386 -2.654 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.168 -6.426 -3.401 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.388 -6.234 -3.081 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.489 -5.277 -3.826 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.101 -5.181 -3.668 1.00 0.00 C ATOM 735 OH TYR A 49 -7.434 -4.048 -4.088 1.00 0.00 O ATOM 0 H TYR A 49 -8.728 -7.493 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.025 -8.015 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.664 -9.616 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.188 -8.756 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.521 -8.200 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.238 -6.498 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.318 -6.160 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.037 -4.463 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.075 -3.415 -4.473 1.00 0.00 H new ATOM 745 N SER A 50 -11.126 -10.218 0.912 1.00 0.00 N ATOM 746 CA SER A 50 -11.594 -11.528 1.448 1.00 0.00 C ATOM 747 C SER A 50 -13.013 -11.831 0.958 1.00 0.00 C ATOM 748 O SER A 50 -13.303 -12.921 0.505 1.00 0.00 O ATOM 749 CB SER A 50 -11.576 -11.363 2.968 1.00 0.00 C ATOM 750 OG SER A 50 -12.480 -12.292 3.551 1.00 0.00 O ATOM 0 H SER A 50 -11.100 -9.456 1.589 1.00 0.00 H new ATOM 0 HA SER A 50 -10.964 -12.354 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.569 -11.528 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.857 -10.345 3.238 1.00 0.00 H new ATOM 0 HG SER A 50 -12.470 -12.190 4.526 1.00 0.00 H new ATOM 756 N LYS A 51 -13.900 -10.879 1.048 1.00 0.00 N ATOM 757 CA LYS A 51 -15.300 -11.117 0.589 1.00 0.00 C ATOM 758 C LYS A 51 -15.304 -11.740 -0.809 1.00 0.00 C ATOM 759 O LYS A 51 -14.591 -11.310 -1.695 1.00 0.00 O ATOM 760 CB LYS A 51 -15.948 -9.734 0.562 1.00 0.00 C ATOM 761 CG LYS A 51 -16.767 -9.530 1.838 1.00 0.00 C ATOM 762 CD LYS A 51 -15.982 -8.653 2.815 1.00 0.00 C ATOM 763 CE LYS A 51 -16.955 -7.805 3.638 1.00 0.00 C ATOM 764 NZ LYS A 51 -16.092 -6.851 4.388 1.00 0.00 N ATOM 0 H LYS A 51 -13.717 -9.947 1.419 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.836 -11.806 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.182 -8.963 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.590 -9.638 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.722 -9.061 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.991 -10.493 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.379 -9.276 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.294 -8.008 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.661 -7.278 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.542 -8.424 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.687 -6.234 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.435 -7.381 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.550 -6.271 3.716 1.00 0.00 H new ATOM 778 N HIS A 52 -16.105 -12.751 -1.015 1.00 0.00 N ATOM 779 CA HIS A 52 -16.159 -13.401 -2.355 1.00 0.00 C ATOM 780 C HIS A 52 -17.180 -12.690 -3.249 1.00 0.00 C ATOM 781 O HIS A 52 -18.356 -12.991 -3.128 1.00 0.00 O ATOM 782 CB HIS A 52 -16.600 -14.840 -2.080 1.00 0.00 C ATOM 783 CG HIS A 52 -15.412 -15.757 -2.178 1.00 0.00 C ATOM 784 ND1 HIS A 52 -15.038 -16.359 -3.369 1.00 0.00 N ATOM 785 CD2 HIS A 52 -14.504 -16.185 -1.241 1.00 0.00 C ATOM 786 CE1 HIS A 52 -13.950 -17.110 -3.120 1.00 0.00 C ATOM 787 NE2 HIS A 52 -13.582 -17.040 -1.838 1.00 0.00 N ATOM 788 OXT HIS A 52 -16.767 -11.856 -4.038 1.00 0.00 O ATOM 0 H HIS A 52 -16.724 -13.155 -0.312 1.00 0.00 H new ATOM 0 HA HIS A 52 -15.200 -13.359 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -17.047 -14.911 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -17.365 -15.140 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -14.505 -15.901 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -13.436 -17.698 -3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -12.795 -17.511 -1.392 1.00 0.00 H new TER 796 HIS A 52