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 Set 1.1: A 16 GLN : amide:sc= -3.33 K(o=-3.3,f=-0.45) USER MOD Set 1.2: A 20 MET CE :methyl 167:sc=-0.00536 (180deg=-0.186) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -1.52! USER MOD Single : A 13 SER OG : rot 10:sc= -5.99! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= -13.1! (180deg=-13.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -119:sc= -8.57! USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= -0.0105 (180deg=-0.164) USER MOD Single : A 37 ASN : amide:sc= -0.699 K(o=-0.7,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 178:sc= -2.01! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.15) USER MOD Single : A 49 TYR OH : rot -141:sc= 0.0277 USER MOD Single : A 50 SER OG : rot -46:sc= 0.262 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0084 X(o=-0.0084,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.558 6.613 20.249 1.00 0.00 N ATOM 2 CA GLY A 1 10.171 7.625 19.342 1.00 0.00 C ATOM 3 C GLY A 1 10.121 7.119 17.900 1.00 0.00 C ATOM 4 O GLY A 1 11.106 6.659 17.360 1.00 0.00 O ATOM 0 H1 GLY A 1 9.593 6.959 21.229 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.568 6.454 19.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.085 5.719 20.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.638 8.572 19.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.203 7.814 19.636 1.00 0.00 H new ATOM 10 N SER A 2 8.979 7.200 17.273 1.00 0.00 N ATOM 11 CA SER A 2 8.866 6.722 15.864 1.00 0.00 C ATOM 12 C SER A 2 9.941 7.380 14.994 1.00 0.00 C ATOM 13 O SER A 2 10.375 8.482 15.269 1.00 0.00 O ATOM 14 CB SER A 2 7.472 7.154 15.411 1.00 0.00 C ATOM 15 OG SER A 2 7.272 6.753 14.062 1.00 0.00 O ATOM 0 H SER A 2 8.120 7.576 17.674 1.00 0.00 H new ATOM 0 HA SER A 2 9.006 5.644 15.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.713 6.705 16.052 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.367 8.235 15.501 1.00 0.00 H new ATOM 0 HG SER A 2 6.378 7.027 13.768 1.00 0.00 H new ATOM 21 N PRO A 3 10.334 6.676 13.970 1.00 0.00 N ATOM 22 CA PRO A 3 11.370 7.190 13.041 1.00 0.00 C ATOM 23 C PRO A 3 10.795 8.301 12.158 1.00 0.00 C ATOM 24 O PRO A 3 9.675 8.210 11.695 1.00 0.00 O ATOM 25 CB PRO A 3 11.739 5.968 12.206 1.00 0.00 C ATOM 26 CG PRO A 3 10.537 5.079 12.265 1.00 0.00 C ATOM 27 CD PRO A 3 9.854 5.345 13.582 1.00 0.00 C ATOM 0 HA PRO A 3 12.228 7.625 13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.972 6.248 11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.620 5.467 12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.864 5.286 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.828 4.032 12.187 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.769 5.326 13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.117 4.594 14.327 1.00 0.00 H new ATOM 35 N PRO A 4 11.590 9.316 11.954 1.00 0.00 N ATOM 36 CA PRO A 4 11.163 10.464 11.117 1.00 0.00 C ATOM 37 C PRO A 4 11.190 10.085 9.632 1.00 0.00 C ATOM 38 O PRO A 4 10.902 10.892 8.771 1.00 0.00 O ATOM 39 CB PRO A 4 12.206 11.534 11.422 1.00 0.00 C ATOM 40 CG PRO A 4 13.420 10.782 11.868 1.00 0.00 C ATOM 41 CD PRO A 4 12.947 9.489 12.482 1.00 0.00 C ATOM 0 HA PRO A 4 10.145 10.793 11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.419 12.139 10.541 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.857 12.214 12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.082 10.587 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.989 11.365 12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.592 8.656 12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.947 9.541 13.571 1.00 0.00 H new ATOM 49 N GLU A 5 11.535 8.865 9.327 1.00 0.00 N ATOM 50 CA GLU A 5 11.582 8.436 7.900 1.00 0.00 C ATOM 51 C GLU A 5 10.191 8.018 7.415 1.00 0.00 C ATOM 52 O GLU A 5 9.757 6.905 7.631 1.00 0.00 O ATOM 53 CB GLU A 5 12.535 7.253 7.877 1.00 0.00 C ATOM 54 CG GLU A 5 13.746 7.585 7.003 1.00 0.00 C ATOM 55 CD GLU A 5 14.987 6.890 7.563 1.00 0.00 C ATOM 56 OE1 GLU A 5 15.163 6.918 8.770 1.00 0.00 O ATOM 57 OE2 GLU A 5 15.739 6.339 6.776 1.00 0.00 O ATOM 0 H GLU A 5 11.787 8.145 10.005 1.00 0.00 H new ATOM 0 HA GLU A 5 11.911 9.240 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.859 7.015 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.026 6.371 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.567 7.262 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.902 8.663 6.974 1.00 0.00 H new ATOM 64 N ALA A 6 9.490 8.903 6.759 1.00 0.00 N ATOM 65 CA ALA A 6 8.128 8.556 6.259 1.00 0.00 C ATOM 66 C ALA A 6 8.135 8.476 4.730 1.00 0.00 C ATOM 67 O ALA A 6 7.454 7.664 4.136 1.00 0.00 O ATOM 68 CB ALA A 6 7.229 9.699 6.732 1.00 0.00 C ATOM 0 H ALA A 6 9.801 9.851 6.548 1.00 0.00 H new ATOM 0 HA ALA A 6 7.785 7.590 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.206 9.517 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.255 9.756 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.584 10.639 6.311 1.00 0.00 H new ATOM 74 N ASP A 7 8.899 9.314 4.088 1.00 0.00 N ATOM 75 CA ASP A 7 8.952 9.290 2.602 1.00 0.00 C ATOM 76 C ASP A 7 9.267 7.877 2.098 1.00 0.00 C ATOM 77 O ASP A 7 8.547 7.336 1.282 1.00 0.00 O ATOM 78 CB ASP A 7 10.079 10.254 2.232 1.00 0.00 C ATOM 79 CG ASP A 7 9.486 11.616 1.868 1.00 0.00 C ATOM 80 OD1 ASP A 7 8.588 12.055 2.566 1.00 0.00 O ATOM 81 OD2 ASP A 7 9.940 12.196 0.894 1.00 0.00 O ATOM 0 H ASP A 7 9.491 10.017 4.531 1.00 0.00 H new ATOM 0 HA ASP A 7 8.001 9.578 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.772 10.358 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.650 9.858 1.392 1.00 0.00 H new ATOM 86 N PRO A 8 10.342 7.329 2.600 1.00 0.00 N ATOM 87 CA PRO A 8 10.765 5.967 2.191 1.00 0.00 C ATOM 88 C PRO A 8 9.860 4.901 2.813 1.00 0.00 C ATOM 89 O PRO A 8 9.869 3.757 2.404 1.00 0.00 O ATOM 90 CB PRO A 8 12.187 5.856 2.735 1.00 0.00 C ATOM 91 CG PRO A 8 12.244 6.819 3.877 1.00 0.00 C ATOM 92 CD PRO A 8 11.255 7.920 3.585 1.00 0.00 C ATOM 0 HA PRO A 8 10.708 5.813 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.405 4.840 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.922 6.107 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.997 6.319 4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.250 7.225 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.724 8.228 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.750 8.806 3.188 1.00 0.00 H new ATOM 100 N ARG A 9 9.075 5.257 3.794 1.00 0.00 N ATOM 101 CA ARG A 9 8.181 4.241 4.416 1.00 0.00 C ATOM 102 C ARG A 9 7.254 3.650 3.359 1.00 0.00 C ATOM 103 O ARG A 9 6.663 2.604 3.546 1.00 0.00 O ATOM 104 CB ARG A 9 7.398 4.981 5.489 1.00 0.00 C ATOM 105 CG ARG A 9 7.807 4.461 6.868 1.00 0.00 C ATOM 106 CD ARG A 9 6.897 5.071 7.935 1.00 0.00 C ATOM 107 NE ARG A 9 6.479 3.924 8.788 1.00 0.00 N ATOM 108 CZ ARG A 9 7.376 3.226 9.430 1.00 0.00 C ATOM 109 NH1 ARG A 9 7.994 3.743 10.456 1.00 0.00 N ATOM 110 NH2 ARG A 9 7.656 2.011 9.044 1.00 0.00 N ATOM 0 H ARG A 9 9.014 6.196 4.187 1.00 0.00 H new ATOM 0 HA ARG A 9 8.738 3.409 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.590 6.052 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.328 4.838 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.737 3.374 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.847 4.718 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.424 5.825 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.035 5.562 7.484 1.00 0.00 H new ATOM 0 HE ARG A 9 5.491 3.684 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.776 4.693 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.695 3.197 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.174 1.607 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.357 1.465 9.545 1.00 0.00 H new ATOM 124 N LEU A 10 7.142 4.300 2.236 1.00 0.00 N ATOM 125 CA LEU A 10 6.277 3.762 1.148 1.00 0.00 C ATOM 126 C LEU A 10 6.902 2.472 0.626 1.00 0.00 C ATOM 127 O LEU A 10 6.239 1.467 0.458 1.00 0.00 O ATOM 128 CB LEU A 10 6.266 4.843 0.060 1.00 0.00 C ATOM 129 CG LEU A 10 5.941 4.217 -1.300 1.00 0.00 C ATOM 130 CD1 LEU A 10 5.009 5.145 -2.082 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.236 4.016 -2.091 1.00 0.00 C ATOM 0 H LEU A 10 7.611 5.180 2.023 1.00 0.00 H new ATOM 0 HA LEU A 10 5.264 3.535 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.528 5.607 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.236 5.338 0.019 1.00 0.00 H new ATOM 0 HG LEU A 10 5.452 3.255 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.779 4.698 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.086 5.291 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.497 6.108 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.006 3.571 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.724 4.979 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.902 3.355 -1.537 1.00 0.00 H new ATOM 143 N ILE A 11 8.184 2.494 0.383 1.00 0.00 N ATOM 144 CA ILE A 11 8.869 1.275 -0.112 1.00 0.00 C ATOM 145 C ILE A 11 8.623 0.131 0.874 1.00 0.00 C ATOM 146 O ILE A 11 8.229 -0.953 0.491 1.00 0.00 O ATOM 147 CB ILE A 11 10.354 1.680 -0.197 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.773 1.745 -1.668 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.247 0.671 0.535 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.442 0.418 -2.352 1.00 0.00 C ATOM 0 H ILE A 11 8.785 3.308 0.508 1.00 0.00 H new ATOM 0 HA ILE A 11 8.512 0.922 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 11 10.473 2.654 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.256 2.563 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.841 1.949 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.288 0.984 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.959 0.625 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.129 -0.314 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.740 0.464 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.980 -0.391 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.370 0.233 -2.288 1.00 0.00 H new ATOM 162 N GLU A 12 8.839 0.364 2.141 1.00 0.00 N ATOM 163 CA GLU A 12 8.597 -0.715 3.130 1.00 0.00 C ATOM 164 C GLU A 12 7.255 -1.373 2.832 1.00 0.00 C ATOM 165 O GLU A 12 7.192 -2.523 2.447 1.00 0.00 O ATOM 166 CB GLU A 12 8.575 -0.028 4.484 1.00 0.00 C ATOM 167 CG GLU A 12 9.654 -0.634 5.384 1.00 0.00 C ATOM 168 CD GLU A 12 8.993 -1.375 6.548 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.524 -2.480 6.332 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.966 -0.824 7.635 1.00 0.00 O ATOM 0 H GLU A 12 9.170 1.248 2.527 1.00 0.00 H new ATOM 0 HA GLU A 12 9.359 -1.494 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.746 1.042 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.595 -0.144 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.278 -1.319 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.308 0.151 5.764 1.00 0.00 H new ATOM 177 N SER A 13 6.178 -0.649 2.974 1.00 0.00 N ATOM 178 CA SER A 13 4.865 -1.242 2.662 1.00 0.00 C ATOM 179 C SER A 13 4.933 -1.836 1.259 1.00 0.00 C ATOM 180 O SER A 13 4.515 -2.952 1.022 1.00 0.00 O ATOM 181 CB SER A 13 3.884 -0.076 2.723 1.00 0.00 C ATOM 182 OG SER A 13 3.276 -0.037 4.007 1.00 0.00 O ATOM 0 H SER A 13 6.159 0.320 3.291 1.00 0.00 H new ATOM 0 HA SER A 13 4.566 -2.037 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.404 0.862 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.122 -0.186 1.951 1.00 0.00 H new ATOM 0 HG SER A 13 3.736 -0.662 4.606 1.00 0.00 H new ATOM 188 N LEU A 14 5.486 -1.104 0.326 1.00 0.00 N ATOM 189 CA LEU A 14 5.605 -1.644 -1.056 1.00 0.00 C ATOM 190 C LEU A 14 6.310 -2.998 -1.019 1.00 0.00 C ATOM 191 O LEU A 14 5.987 -3.896 -1.771 1.00 0.00 O ATOM 192 CB LEU A 14 6.445 -0.620 -1.821 1.00 0.00 C ATOM 193 CG LEU A 14 5.703 -0.195 -3.088 1.00 0.00 C ATOM 194 CD1 LEU A 14 5.214 -1.438 -3.833 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.503 0.675 -2.708 1.00 0.00 C ATOM 0 H LEU A 14 5.857 -0.164 0.462 1.00 0.00 H new ATOM 0 HA LEU A 14 4.634 -1.796 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.640 0.249 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.413 -1.049 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 14 6.376 0.373 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.685 -1.136 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.068 -2.060 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.541 -2.006 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.973 0.979 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.830 0.106 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.850 1.561 -2.176 1.00 0.00 H new ATOM 207 N SER A 15 7.270 -3.160 -0.149 1.00 0.00 N ATOM 208 CA SER A 15 7.977 -4.459 -0.075 1.00 0.00 C ATOM 209 C SER A 15 7.013 -5.548 0.389 1.00 0.00 C ATOM 210 O SER A 15 6.933 -6.610 -0.197 1.00 0.00 O ATOM 211 CB SER A 15 9.095 -4.253 0.946 1.00 0.00 C ATOM 212 OG SER A 15 9.916 -5.413 0.981 1.00 0.00 O ATOM 0 H SER A 15 7.590 -2.449 0.509 1.00 0.00 H new ATOM 0 HA SER A 15 8.372 -4.772 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.690 -3.380 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.672 -4.062 1.932 1.00 0.00 H new ATOM 0 HG SER A 15 10.636 -5.285 1.634 1.00 0.00 H new ATOM 218 N GLN A 16 6.278 -5.298 1.438 1.00 0.00 N ATOM 219 CA GLN A 16 5.331 -6.317 1.930 1.00 0.00 C ATOM 220 C GLN A 16 4.219 -6.541 0.904 1.00 0.00 C ATOM 221 O GLN A 16 3.634 -7.604 0.837 1.00 0.00 O ATOM 222 CB GLN A 16 4.802 -5.746 3.251 1.00 0.00 C ATOM 223 CG GLN A 16 3.550 -4.893 3.014 1.00 0.00 C ATOM 224 CD GLN A 16 2.304 -5.724 3.328 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.911 -5.841 4.472 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.661 -6.310 2.355 1.00 0.00 N ATOM 0 H GLN A 16 6.298 -4.429 1.971 1.00 0.00 H new ATOM 0 HA GLN A 16 5.790 -7.294 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.568 -6.561 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.575 -5.142 3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.577 -4.004 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.521 -4.549 1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.990 -6.212 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.829 -6.866 2.555 1.00 0.00 H new ATOM 235 N MET A 17 3.932 -5.562 0.088 1.00 0.00 N ATOM 236 CA MET A 17 2.877 -5.750 -0.932 1.00 0.00 C ATOM 237 C MET A 17 3.472 -6.504 -2.121 1.00 0.00 C ATOM 238 O MET A 17 2.765 -7.068 -2.931 1.00 0.00 O ATOM 239 CB MET A 17 2.459 -4.336 -1.324 1.00 0.00 C ATOM 240 CG MET A 17 1.469 -3.795 -0.292 1.00 0.00 C ATOM 241 SD MET A 17 0.813 -2.201 -0.847 1.00 0.00 S ATOM 242 CE MET A 17 2.366 -1.477 -1.417 1.00 0.00 C ATOM 0 H MET A 17 4.383 -4.647 0.088 1.00 0.00 H new ATOM 0 HA MET A 17 2.024 -6.327 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.334 -3.688 -1.379 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.003 -4.341 -2.314 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.654 -4.504 -0.150 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.963 -3.679 0.673 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.229 -0.409 -1.587 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.137 -1.628 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.671 -1.956 -2.347 1.00 0.00 H new ATOM 252 N LEU A 18 4.777 -6.528 -2.218 1.00 0.00 N ATOM 253 CA LEU A 18 5.425 -7.257 -3.340 1.00 0.00 C ATOM 254 C LEU A 18 5.583 -8.731 -2.973 1.00 0.00 C ATOM 255 O LEU A 18 5.819 -9.574 -3.816 1.00 0.00 O ATOM 256 CB LEU A 18 6.792 -6.594 -3.516 1.00 0.00 C ATOM 257 CG LEU A 18 7.499 -7.196 -4.730 1.00 0.00 C ATOM 258 CD1 LEU A 18 8.149 -6.079 -5.549 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.578 -8.174 -4.258 1.00 0.00 C ATOM 0 H LEU A 18 5.418 -6.074 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 18 4.839 -7.214 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.672 -5.519 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.396 -6.740 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 18 6.773 -7.724 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.653 -6.509 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.382 -5.381 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.875 -5.551 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.083 -8.604 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.304 -7.645 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.117 -8.971 -3.674 1.00 0.00 H new ATOM 271 N SER A 19 5.450 -9.044 -1.716 1.00 0.00 N ATOM 272 CA SER A 19 5.585 -10.463 -1.281 1.00 0.00 C ATOM 273 C SER A 19 4.252 -10.972 -0.725 1.00 0.00 C ATOM 274 O SER A 19 4.204 -11.627 0.297 1.00 0.00 O ATOM 275 CB SER A 19 6.648 -10.439 -0.184 1.00 0.00 C ATOM 276 OG SER A 19 7.731 -11.279 -0.562 1.00 0.00 O ATOM 0 H SER A 19 5.253 -8.378 -0.969 1.00 0.00 H new ATOM 0 HA SER A 19 5.861 -11.124 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.001 -9.420 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.221 -10.779 0.760 1.00 0.00 H new ATOM 0 HG SER A 19 8.416 -11.265 0.139 1.00 0.00 H new ATOM 282 N MET A 20 3.169 -10.668 -1.386 1.00 0.00 N ATOM 283 CA MET A 20 1.838 -11.127 -0.890 1.00 0.00 C ATOM 284 C MET A 20 1.011 -11.727 -2.020 1.00 0.00 C ATOM 285 O MET A 20 0.502 -12.826 -1.928 1.00 0.00 O ATOM 286 CB MET A 20 1.170 -9.870 -0.356 1.00 0.00 C ATOM 287 CG MET A 20 -0.003 -10.255 0.548 1.00 0.00 C ATOM 288 SD MET A 20 0.598 -11.260 1.928 1.00 0.00 S ATOM 289 CE MET A 20 1.221 -9.900 2.947 1.00 0.00 C ATOM 0 H MET A 20 3.147 -10.122 -2.247 1.00 0.00 H new ATOM 0 HA MET A 20 1.933 -11.904 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.891 -9.272 0.202 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.817 -9.254 -1.183 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.494 -9.358 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.748 -10.810 -0.022 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.431 -10.265 3.952 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.136 -9.504 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.472 -9.110 2.997 1.00 0.00 H new ATOM 299 N GLY A 21 0.850 -10.988 -3.064 1.00 0.00 N ATOM 300 CA GLY A 21 0.034 -11.448 -4.205 1.00 0.00 C ATOM 301 C GLY A 21 -0.951 -10.339 -4.494 1.00 0.00 C ATOM 302 O GLY A 21 -2.141 -10.545 -4.625 1.00 0.00 O ATOM 0 H GLY A 21 1.259 -10.061 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.660 -11.649 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.484 -12.376 -3.964 1.00 0.00 H new ATOM 306 N PHE A 22 -0.448 -9.147 -4.510 1.00 0.00 N ATOM 307 CA PHE A 22 -1.311 -7.968 -4.693 1.00 0.00 C ATOM 308 C PHE A 22 -1.443 -7.527 -6.143 1.00 0.00 C ATOM 309 O PHE A 22 -0.581 -7.736 -6.974 1.00 0.00 O ATOM 310 CB PHE A 22 -0.626 -6.898 -3.853 1.00 0.00 C ATOM 311 CG PHE A 22 -1.011 -7.091 -2.413 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.571 -8.303 -1.992 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.816 -6.058 -1.501 1.00 0.00 C ATOM 314 CE1 PHE A 22 -1.939 -8.477 -0.667 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.188 -6.231 -0.168 1.00 0.00 C ATOM 316 CZ PHE A 22 -1.753 -7.444 0.244 1.00 0.00 C ATOM 0 H PHE A 22 0.545 -8.939 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.338 -8.176 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.456 -6.965 -3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.921 -5.905 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.717 -9.104 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.378 -5.125 -1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.369 -9.413 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.041 -5.432 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.046 -7.578 1.275 1.00 0.00 H new ATOM 326 N SER A 23 -2.552 -6.913 -6.424 1.00 0.00 N ATOM 327 CA SER A 23 -2.849 -6.419 -7.785 1.00 0.00 C ATOM 328 C SER A 23 -2.483 -4.941 -7.916 1.00 0.00 C ATOM 329 O SER A 23 -1.604 -4.438 -7.246 1.00 0.00 O ATOM 330 CB SER A 23 -4.362 -6.575 -7.918 1.00 0.00 C ATOM 331 OG SER A 23 -4.661 -7.360 -9.064 1.00 0.00 O ATOM 0 H SER A 23 -3.287 -6.729 -5.741 1.00 0.00 H new ATOM 0 HA SER A 23 -2.288 -6.960 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.769 -7.048 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.833 -5.596 -8.003 1.00 0.00 H new ATOM 0 HG SER A 23 -5.632 -7.461 -9.147 1.00 0.00 H new ATOM 337 N ASP A 24 -3.177 -4.243 -8.773 1.00 0.00 N ATOM 338 CA ASP A 24 -2.914 -2.793 -8.960 1.00 0.00 C ATOM 339 C ASP A 24 -4.170 -2.121 -9.520 1.00 0.00 C ATOM 340 O ASP A 24 -4.109 -1.069 -10.121 1.00 0.00 O ATOM 341 CB ASP A 24 -1.766 -2.718 -9.963 1.00 0.00 C ATOM 342 CG ASP A 24 -0.708 -1.735 -9.459 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.052 -0.892 -8.647 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.428 -1.843 -9.892 1.00 0.00 O ATOM 0 H ASP A 24 -3.923 -4.622 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.659 -2.287 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.324 -3.705 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.140 -2.398 -10.936 1.00 0.00 H new ATOM 349 N GLU A 25 -5.314 -2.726 -9.325 1.00 0.00 N ATOM 350 CA GLU A 25 -6.575 -2.120 -9.842 1.00 0.00 C ATOM 351 C GLU A 25 -6.643 -0.651 -9.424 1.00 0.00 C ATOM 352 O GLU A 25 -6.999 -0.330 -8.307 1.00 0.00 O ATOM 353 CB GLU A 25 -7.703 -2.925 -9.192 1.00 0.00 C ATOM 354 CG GLU A 25 -7.415 -3.097 -7.700 1.00 0.00 C ATOM 355 CD GLU A 25 -8.572 -2.517 -6.886 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.688 -2.978 -7.066 1.00 0.00 O ATOM 357 OE2 GLU A 25 -8.324 -1.622 -6.095 1.00 0.00 O ATOM 0 H GLU A 25 -5.428 -3.611 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.642 -2.150 -10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.656 -2.414 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.790 -3.900 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.284 -4.153 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.484 -2.594 -7.438 1.00 0.00 H new ATOM 364 N GLY A 26 -6.286 0.242 -10.303 1.00 0.00 N ATOM 365 CA GLY A 26 -6.310 1.687 -9.948 1.00 0.00 C ATOM 366 C GLY A 26 -4.909 2.100 -9.496 1.00 0.00 C ATOM 367 O GLY A 26 -4.720 3.110 -8.849 1.00 0.00 O ATOM 0 H GLY A 26 -5.978 0.033 -11.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.622 2.282 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.033 1.870 -9.153 1.00 0.00 H new ATOM 371 N GLY A 27 -3.924 1.314 -9.839 1.00 0.00 N ATOM 372 CA GLY A 27 -2.530 1.634 -9.444 1.00 0.00 C ATOM 373 C GLY A 27 -2.469 1.954 -7.950 1.00 0.00 C ATOM 374 O GLY A 27 -1.852 2.918 -7.542 1.00 0.00 O ATOM 0 H GLY A 27 -4.031 0.457 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.877 0.791 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.166 2.484 -10.021 1.00 0.00 H new ATOM 378 N TRP A 28 -3.100 1.160 -7.122 1.00 0.00 N ATOM 379 CA TRP A 28 -3.062 1.442 -5.670 1.00 0.00 C ATOM 380 C TRP A 28 -1.778 0.894 -5.049 1.00 0.00 C ATOM 381 O TRP A 28 -1.268 1.445 -4.096 1.00 0.00 O ATOM 382 CB TRP A 28 -4.291 0.747 -5.097 1.00 0.00 C ATOM 383 CG TRP A 28 -4.208 -0.722 -5.286 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.946 -1.417 -6.159 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.392 -1.683 -4.589 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.623 -2.761 -6.053 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.673 -2.969 -5.097 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.447 -1.570 -3.582 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.035 -4.096 -4.618 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.810 -2.689 -3.094 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.099 -3.953 -3.603 1.00 0.00 C ATOM 0 H TRP A 28 -3.635 0.335 -7.394 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.071 2.511 -5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.381 0.976 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.189 1.129 -5.582 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.675 -0.999 -6.837 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.042 -3.500 -6.618 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.208 -0.598 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.260 -5.071 -5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.078 -2.585 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.595 -4.822 -3.208 1.00 0.00 H new ATOM 402 N LEU A 29 -1.235 -0.169 -5.577 1.00 0.00 N ATOM 403 CA LEU A 29 0.026 -0.700 -4.990 1.00 0.00 C ATOM 404 C LEU A 29 0.971 0.473 -4.716 1.00 0.00 C ATOM 405 O LEU A 29 1.783 0.442 -3.812 1.00 0.00 O ATOM 406 CB LEU A 29 0.601 -1.643 -6.049 1.00 0.00 C ATOM 407 CG LEU A 29 0.650 -3.067 -5.489 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.484 -3.957 -6.410 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.285 -3.050 -4.098 1.00 0.00 C ATOM 0 H LEU A 29 -1.603 -0.685 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.126 -1.226 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.014 -1.615 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.601 -1.319 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.365 -3.459 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.516 -4.969 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.034 -3.976 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.498 -3.562 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.319 -4.065 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.298 -2.653 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.692 -2.421 -3.435 1.00 0.00 H new ATOM 421 N THR A 30 0.842 1.522 -5.487 1.00 0.00 N ATOM 422 CA THR A 30 1.693 2.727 -5.279 1.00 0.00 C ATOM 423 C THR A 30 0.891 3.821 -4.554 1.00 0.00 C ATOM 424 O THR A 30 1.393 4.493 -3.676 1.00 0.00 O ATOM 425 CB THR A 30 2.077 3.186 -6.686 1.00 0.00 C ATOM 426 OG1 THR A 30 2.792 2.148 -7.341 1.00 0.00 O ATOM 427 CG2 THR A 30 2.953 4.436 -6.596 1.00 0.00 C ATOM 0 H THR A 30 0.177 1.594 -6.257 1.00 0.00 H new ATOM 0 HA THR A 30 2.569 2.516 -4.666 1.00 0.00 H new ATOM 0 HB THR A 30 1.175 3.419 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.038 2.439 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.226 4.762 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.402 5.231 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.856 4.207 -6.031 1.00 0.00 H new ATOM 435 N ARG A 31 -0.353 4.006 -4.927 1.00 0.00 N ATOM 436 CA ARG A 31 -1.190 5.061 -4.273 1.00 0.00 C ATOM 437 C ARG A 31 -1.867 4.515 -3.012 1.00 0.00 C ATOM 438 O ARG A 31 -1.923 5.186 -2.002 1.00 0.00 O ATOM 439 CB ARG A 31 -2.239 5.437 -5.321 1.00 0.00 C ATOM 440 CG ARG A 31 -2.601 6.917 -5.175 1.00 0.00 C ATOM 441 CD ARG A 31 -3.903 7.202 -5.926 1.00 0.00 C ATOM 442 NE ARG A 31 -4.941 6.408 -5.212 1.00 0.00 N ATOM 443 CZ ARG A 31 -6.008 6.007 -5.847 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.455 6.688 -6.866 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.627 4.925 -5.463 1.00 0.00 N ATOM 0 H ARG A 31 -0.825 3.472 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.593 5.917 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.854 5.243 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.129 4.820 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.714 7.172 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.798 7.539 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.141 8.266 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.829 6.905 -6.972 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.818 6.178 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.970 7.534 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.289 6.375 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.277 4.393 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.461 4.611 -5.959 1.00 0.00 H new ATOM 459 N LEU A 32 -2.375 3.304 -3.066 1.00 0.00 N ATOM 460 CA LEU A 32 -3.046 2.697 -1.872 1.00 0.00 C ATOM 461 C LEU A 32 -2.353 3.184 -0.597 1.00 0.00 C ATOM 462 O LEU A 32 -2.926 3.870 0.225 1.00 0.00 O ATOM 463 CB LEU A 32 -2.833 1.205 -2.021 1.00 0.00 C ATOM 464 CG LEU A 32 -3.833 0.453 -1.142 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.216 0.489 -1.797 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.382 -1.002 -0.989 1.00 0.00 C ATOM 0 H LEU A 32 -2.353 2.707 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.101 2.962 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.958 0.912 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.814 0.943 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.882 0.926 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.929 -0.047 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.538 1.524 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.167 0.015 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.094 -1.540 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.334 -1.473 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.396 -1.030 -0.525 1.00 0.00 H new ATOM 478 N LEU A 33 -1.091 2.857 -0.467 1.00 0.00 N ATOM 479 CA LEU A 33 -0.296 3.315 0.706 1.00 0.00 C ATOM 480 C LEU A 33 -0.541 4.804 0.911 1.00 0.00 C ATOM 481 O LEU A 33 -0.953 5.252 1.963 1.00 0.00 O ATOM 482 CB LEU A 33 1.156 3.087 0.273 1.00 0.00 C ATOM 483 CG LEU A 33 1.769 1.922 1.047 1.00 0.00 C ATOM 484 CD1 LEU A 33 0.791 0.749 1.068 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.065 1.490 0.358 1.00 0.00 C ATOM 0 H LEU A 33 -0.574 2.284 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.546 2.799 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.194 2.881 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.739 3.992 0.444 1.00 0.00 H new ATOM 0 HG LEU A 33 1.980 2.234 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.230 -0.081 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.136 1.057 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.580 0.433 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.508 0.658 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.847 1.177 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.764 2.326 0.340 1.00 0.00 H new ATOM 497 N GLN A 34 -0.281 5.568 -0.110 1.00 0.00 N ATOM 498 CA GLN A 34 -0.473 7.029 -0.043 1.00 0.00 C ATOM 499 C GLN A 34 -1.942 7.379 0.226 1.00 0.00 C ATOM 500 O GLN A 34 -2.242 8.355 0.884 1.00 0.00 O ATOM 501 CB GLN A 34 -0.045 7.507 -1.427 1.00 0.00 C ATOM 502 CG GLN A 34 1.440 7.869 -1.407 1.00 0.00 C ATOM 503 CD GLN A 34 1.655 9.186 -2.153 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.918 10.206 -1.546 1.00 0.00 O ATOM 505 NE2 GLN A 34 1.555 9.208 -3.453 1.00 0.00 N ATOM 0 H GLN A 34 0.065 5.226 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 34 0.094 7.495 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.230 6.727 -2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.637 8.373 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.789 7.960 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.025 7.076 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.334 8.352 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.697 10.081 -3.961 1.00 0.00 H new ATOM 514 N THR A 35 -2.864 6.599 -0.279 1.00 0.00 N ATOM 515 CA THR A 35 -4.300 6.909 -0.046 1.00 0.00 C ATOM 516 C THR A 35 -4.568 7.124 1.445 1.00 0.00 C ATOM 517 O THR A 35 -5.382 7.940 1.826 1.00 0.00 O ATOM 518 CB THR A 35 -5.059 5.695 -0.561 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.213 4.936 -1.413 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.296 6.156 -1.335 1.00 0.00 C ATOM 0 H THR A 35 -2.682 5.766 -0.839 1.00 0.00 H new ATOM 0 HA THR A 35 -4.608 7.824 -0.552 1.00 0.00 H new ATOM 0 HB THR A 35 -5.372 5.076 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.605 4.894 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.840 5.286 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.943 6.735 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.988 6.775 -2.177 1.00 0.00 H new ATOM 528 N LYS A 36 -3.888 6.400 2.292 1.00 0.00 N ATOM 529 CA LYS A 36 -4.108 6.569 3.757 1.00 0.00 C ATOM 530 C LYS A 36 -2.780 6.451 4.513 1.00 0.00 C ATOM 531 O LYS A 36 -2.682 5.769 5.512 1.00 0.00 O ATOM 532 CB LYS A 36 -5.057 5.436 4.148 1.00 0.00 C ATOM 533 CG LYS A 36 -6.480 5.782 3.706 1.00 0.00 C ATOM 534 CD LYS A 36 -7.219 4.502 3.316 1.00 0.00 C ATOM 535 CE LYS A 36 -7.966 3.953 4.533 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.208 4.771 4.620 1.00 0.00 N ATOM 0 H LYS A 36 -3.192 5.701 2.034 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.521 7.547 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.738 4.504 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.028 5.280 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.010 6.289 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.452 6.470 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.921 4.707 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.512 3.760 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.197 2.895 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.367 4.046 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.357 5.073 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.115 5.609 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.020 4.203 4.305 1.00 0.00 H new ATOM 550 N ASN A 37 -1.764 7.123 4.048 1.00 0.00 N ATOM 551 CA ASN A 37 -0.445 7.061 4.740 1.00 0.00 C ATOM 552 C ASN A 37 -0.045 5.608 5.023 1.00 0.00 C ATOM 553 O ASN A 37 -0.063 5.158 6.151 1.00 0.00 O ATOM 554 CB ASN A 37 -0.664 7.825 6.042 1.00 0.00 C ATOM 555 CG ASN A 37 0.623 7.817 6.868 1.00 0.00 C ATOM 556 OD1 ASN A 37 1.652 7.365 6.407 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.607 8.303 8.079 1.00 0.00 N ATOM 0 H ASN A 37 -1.790 7.714 3.217 1.00 0.00 H new ATOM 0 HA ASN A 37 0.359 7.485 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.963 8.851 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.475 7.369 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.459 8.304 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.258 8.682 8.465 1.00 0.00 H new ATOM 564 N TYR A 38 0.326 4.878 4.006 1.00 0.00 N ATOM 565 CA TYR A 38 0.743 3.459 4.210 1.00 0.00 C ATOM 566 C TYR A 38 -0.241 2.733 5.124 1.00 0.00 C ATOM 567 O TYR A 38 0.137 2.077 6.074 1.00 0.00 O ATOM 568 CB TYR A 38 2.121 3.548 4.852 1.00 0.00 C ATOM 569 CG TYR A 38 2.995 4.461 4.027 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.656 4.741 2.697 1.00 0.00 C ATOM 571 CD2 TYR A 38 4.144 5.029 4.588 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.457 5.588 1.934 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.949 5.878 3.822 1.00 0.00 C ATOM 574 CZ TYR A 38 4.607 6.159 2.495 1.00 0.00 C ATOM 575 OH TYR A 38 5.399 7.006 1.747 1.00 0.00 O ATOM 0 H TYR A 38 0.359 5.203 3.040 1.00 0.00 H new ATOM 0 HA TYR A 38 0.763 2.896 3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.037 3.928 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.570 2.557 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.772 4.299 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.409 4.812 5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.191 5.805 0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.835 6.317 4.255 1.00 0.00 H new ATOM 0 HH TYR A 38 6.137 7.338 2.300 1.00 0.00 H new ATOM 585 N ASP A 39 -1.498 2.832 4.821 1.00 0.00 N ATOM 586 CA ASP A 39 -2.528 2.137 5.640 1.00 0.00 C ATOM 587 C ASP A 39 -2.866 0.809 4.979 1.00 0.00 C ATOM 588 O ASP A 39 -3.989 0.347 5.036 1.00 0.00 O ATOM 589 CB ASP A 39 -3.740 3.065 5.626 1.00 0.00 C ATOM 590 CG ASP A 39 -4.054 3.516 7.053 1.00 0.00 C ATOM 591 OD1 ASP A 39 -4.623 2.728 7.791 1.00 0.00 O ATOM 592 OD2 ASP A 39 -3.720 4.641 7.386 1.00 0.00 O ATOM 0 H ASP A 39 -1.863 3.369 4.034 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.196 1.930 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.541 3.931 4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.600 2.550 5.198 1.00 0.00 H new ATOM 597 N ILE A 40 -1.906 0.195 4.335 1.00 0.00 N ATOM 598 CA ILE A 40 -2.207 -1.100 3.663 1.00 0.00 C ATOM 599 C ILE A 40 -3.010 -1.969 4.609 1.00 0.00 C ATOM 600 O ILE A 40 -4.197 -2.050 4.492 1.00 0.00 O ATOM 601 CB ILE A 40 -0.886 -1.822 3.307 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.342 -1.096 3.863 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.752 -1.929 1.788 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.592 -1.930 3.567 1.00 0.00 C ATOM 0 H ILE A 40 -0.946 0.528 4.247 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.774 -0.915 2.751 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.927 -2.812 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.432 -0.109 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.236 -0.945 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.179 -2.438 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.593 -2.495 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.747 -0.930 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.471 -1.420 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.498 -2.907 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.698 -2.057 2.490 1.00 0.00 H new ATOM 616 N GLY A 41 -2.360 -2.613 5.534 1.00 0.00 N ATOM 617 CA GLY A 41 -3.074 -3.515 6.501 1.00 0.00 C ATOM 618 C GLY A 41 -4.561 -3.169 6.606 1.00 0.00 C ATOM 619 O GLY A 41 -5.412 -4.030 6.508 1.00 0.00 O ATOM 0 H GLY A 41 -1.351 -2.558 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.963 -4.551 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.611 -3.433 7.484 1.00 0.00 H new ATOM 623 N ALA A 42 -4.886 -1.924 6.787 1.00 0.00 N ATOM 624 CA ALA A 42 -6.317 -1.544 6.876 1.00 0.00 C ATOM 625 C ALA A 42 -6.980 -1.702 5.508 1.00 0.00 C ATOM 626 O ALA A 42 -7.996 -2.356 5.373 1.00 0.00 O ATOM 627 CB ALA A 42 -6.306 -0.080 7.320 1.00 0.00 C ATOM 0 H ALA A 42 -4.223 -1.154 6.877 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.879 -2.168 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.331 0.280 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.805 0.004 8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.774 0.520 6.582 1.00 0.00 H new ATOM 633 N ALA A 43 -6.406 -1.132 4.487 1.00 0.00 N ATOM 634 CA ALA A 43 -6.997 -1.278 3.131 1.00 0.00 C ATOM 635 C ALA A 43 -6.461 -2.547 2.486 1.00 0.00 C ATOM 636 O ALA A 43 -6.999 -3.026 1.511 1.00 0.00 O ATOM 637 CB ALA A 43 -6.549 -0.037 2.357 1.00 0.00 C ATOM 0 H ALA A 43 -5.555 -0.572 4.533 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.084 -1.356 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.949 -0.076 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.918 0.858 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.460 -0.007 2.316 1.00 0.00 H new ATOM 643 N LEU A 44 -5.427 -3.123 3.041 1.00 0.00 N ATOM 644 CA LEU A 44 -4.908 -4.370 2.465 1.00 0.00 C ATOM 645 C LEU A 44 -5.948 -5.431 2.714 1.00 0.00 C ATOM 646 O LEU A 44 -6.088 -6.376 1.969 1.00 0.00 O ATOM 647 CB LEU A 44 -3.612 -4.694 3.183 1.00 0.00 C ATOM 648 CG LEU A 44 -2.919 -5.820 2.420 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.501 -6.034 2.939 1.00 0.00 C ATOM 650 CD2 LEU A 44 -3.713 -7.112 2.593 1.00 0.00 C ATOM 0 H LEU A 44 -4.931 -2.777 3.862 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.712 -4.299 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.971 -3.814 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.811 -4.997 4.211 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.870 -5.545 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.027 -6.841 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.925 -5.118 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.536 -6.297 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.220 -7.918 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.766 -7.368 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.721 -6.974 2.203 1.00 0.00 H new ATOM 662 N ASP A 45 -6.729 -5.251 3.739 1.00 0.00 N ATOM 663 CA ASP A 45 -7.803 -6.220 3.996 1.00 0.00 C ATOM 664 C ASP A 45 -8.559 -6.392 2.680 1.00 0.00 C ATOM 665 O ASP A 45 -9.129 -7.425 2.392 1.00 0.00 O ATOM 666 CB ASP A 45 -8.647 -5.577 5.118 1.00 0.00 C ATOM 667 CG ASP A 45 -9.896 -4.901 4.540 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.772 -3.790 4.052 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.952 -5.507 4.596 1.00 0.00 O ATOM 0 H ASP A 45 -6.664 -4.478 4.401 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.483 -7.212 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.941 -6.339 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.047 -4.843 5.656 1.00 0.00 H new ATOM 674 N THR A 46 -8.504 -5.377 1.860 1.00 0.00 N ATOM 675 CA THR A 46 -9.143 -5.440 0.531 1.00 0.00 C ATOM 676 C THR A 46 -8.115 -5.946 -0.474 1.00 0.00 C ATOM 677 O THR A 46 -8.442 -6.576 -1.460 1.00 0.00 O ATOM 678 CB THR A 46 -9.587 -3.991 0.230 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.815 -4.017 -0.484 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.528 -3.244 -0.606 1.00 0.00 C ATOM 0 H THR A 46 -8.033 -4.496 2.066 1.00 0.00 H new ATOM 0 HA THR A 46 -9.997 -6.115 0.483 1.00 0.00 H new ATOM 0 HB THR A 46 -9.709 -3.465 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.101 -3.100 -0.676 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.869 -2.227 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.587 -3.212 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.378 -3.764 -1.552 1.00 0.00 H new ATOM 688 N ILE A 47 -6.867 -5.679 -0.217 1.00 0.00 N ATOM 689 CA ILE A 47 -5.807 -6.136 -1.121 1.00 0.00 C ATOM 690 C ILE A 47 -5.503 -7.603 -0.857 1.00 0.00 C ATOM 691 O ILE A 47 -4.985 -8.287 -1.705 1.00 0.00 O ATOM 692 CB ILE A 47 -4.633 -5.267 -0.772 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.073 -3.812 -0.841 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.515 -5.500 -1.769 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.811 -3.552 -2.157 1.00 0.00 C ATOM 0 H ILE A 47 -6.543 -5.155 0.596 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.074 -6.060 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.276 -5.507 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.723 -3.579 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.205 -3.157 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.663 -4.869 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.213 -6.547 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.864 -5.252 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.123 -2.508 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.148 -3.767 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.689 -4.196 -2.215 1.00 0.00 H new ATOM 707 N GLN A 48 -5.825 -8.105 0.314 1.00 0.00 N ATOM 708 CA GLN A 48 -5.552 -9.533 0.578 1.00 0.00 C ATOM 709 C GLN A 48 -6.758 -10.367 0.163 1.00 0.00 C ATOM 710 O GLN A 48 -6.744 -11.579 0.247 1.00 0.00 O ATOM 711 CB GLN A 48 -5.279 -9.661 2.062 1.00 0.00 C ATOM 712 CG GLN A 48 -3.854 -10.192 2.254 1.00 0.00 C ATOM 713 CD GLN A 48 -3.760 -11.623 1.706 1.00 0.00 C ATOM 714 OE1 GLN A 48 -4.353 -12.529 2.258 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.042 -11.873 0.638 1.00 0.00 N ATOM 0 H GLN A 48 -6.258 -7.588 1.079 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.695 -9.893 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.391 -8.694 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.000 -10.337 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.142 -9.547 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.589 -10.178 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.542 -11.116 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.983 -12.824 0.274 1.00 0.00 H new ATOM 724 N TYR A 49 -7.792 -9.729 -0.323 1.00 0.00 N ATOM 725 CA TYR A 49 -8.979 -10.488 -0.786 1.00 0.00 C ATOM 726 C TYR A 49 -9.600 -11.263 0.381 1.00 0.00 C ATOM 727 O TYR A 49 -9.503 -12.472 0.457 1.00 0.00 O ATOM 728 CB TYR A 49 -8.414 -11.449 -1.833 1.00 0.00 C ATOM 729 CG TYR A 49 -7.389 -10.749 -2.708 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.801 -9.959 -3.789 1.00 0.00 C ATOM 731 CD2 TYR A 49 -6.022 -10.891 -2.428 1.00 0.00 C ATOM 732 CE1 TYR A 49 -6.845 -9.313 -4.586 1.00 0.00 C ATOM 733 CE2 TYR A 49 -5.068 -10.245 -3.221 1.00 0.00 C ATOM 734 CZ TYR A 49 -5.479 -9.453 -4.300 1.00 0.00 C ATOM 735 OH TYR A 49 -4.540 -8.817 -5.087 1.00 0.00 O ATOM 0 H TYR A 49 -7.860 -8.716 -0.417 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.765 -9.848 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.953 -12.304 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.223 -11.837 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.853 -9.848 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.705 -11.502 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.161 -8.706 -5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.016 -10.357 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.770 -9.408 -5.219 1.00 0.00 H new ATOM 745 N SER A 50 -10.234 -10.578 1.293 1.00 0.00 N ATOM 746 CA SER A 50 -10.856 -11.277 2.454 1.00 0.00 C ATOM 747 C SER A 50 -11.750 -12.422 1.970 1.00 0.00 C ATOM 748 O SER A 50 -11.961 -13.395 2.668 1.00 0.00 O ATOM 749 CB SER A 50 -11.688 -10.206 3.158 1.00 0.00 C ATOM 750 OG SER A 50 -11.095 -8.933 2.941 1.00 0.00 O ATOM 0 H SER A 50 -10.348 -9.564 1.285 1.00 0.00 H new ATOM 0 HA SER A 50 -10.112 -11.718 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.709 -10.214 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.744 -10.417 4.226 1.00 0.00 H new ATOM 0 HG SER A 50 -10.129 -8.992 3.094 1.00 0.00 H new ATOM 756 N LYS A 51 -12.276 -12.315 0.781 1.00 0.00 N ATOM 757 CA LYS A 51 -13.157 -13.397 0.254 1.00 0.00 C ATOM 758 C LYS A 51 -12.427 -14.742 0.295 1.00 0.00 C ATOM 759 O LYS A 51 -11.413 -14.929 -0.350 1.00 0.00 O ATOM 760 CB LYS A 51 -13.458 -12.993 -1.189 1.00 0.00 C ATOM 761 CG LYS A 51 -14.305 -11.720 -1.196 1.00 0.00 C ATOM 762 CD LYS A 51 -13.456 -10.544 -1.683 1.00 0.00 C ATOM 763 CE LYS A 51 -14.252 -9.729 -2.704 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.422 -9.753 -3.942 1.00 0.00 N ATOM 0 H LYS A 51 -12.134 -11.525 0.151 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.067 -13.513 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.528 -12.827 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.987 -13.797 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.171 -11.850 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.685 -11.518 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.172 -9.913 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.533 -10.910 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.235 -10.166 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.414 -8.709 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.901 -9.214 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.495 -9.325 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.291 -10.737 -4.253 1.00 0.00 H new ATOM 778 N HIS A 52 -12.934 -15.680 1.048 1.00 0.00 N ATOM 779 CA HIS A 52 -12.270 -17.013 1.131 1.00 0.00 C ATOM 780 C HIS A 52 -10.752 -16.842 1.241 1.00 0.00 C ATOM 781 O HIS A 52 -10.270 -16.711 2.353 1.00 0.00 O ATOM 782 CB HIS A 52 -12.638 -17.723 -0.173 1.00 0.00 C ATOM 783 CG HIS A 52 -12.034 -19.100 -0.182 1.00 0.00 C ATOM 784 ND1 HIS A 52 -10.950 -19.425 -0.983 1.00 0.00 N ATOM 785 CD2 HIS A 52 -12.351 -20.245 0.503 1.00 0.00 C ATOM 786 CE1 HIS A 52 -10.657 -20.720 -0.761 1.00 0.00 C ATOM 787 NE2 HIS A 52 -11.481 -21.268 0.137 1.00 0.00 N ATOM 788 OXT HIS A 52 -10.100 -16.843 0.209 1.00 0.00 O ATOM 0 H HIS A 52 -13.780 -15.581 1.610 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.589 -17.579 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -13.722 -17.789 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.276 -17.150 -1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -13.155 -20.339 1.219 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.854 -21.251 -1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.474 -22.229 0.480 1.00 0.00 H new TER 796 HIS A 52