USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 398 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 SER N :NH3+ 156:sc= 0.985 (180deg=-0.163) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 63:sc= 0.674 USER MOD Single : A 5 SER OG : rot -71:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 11 GLN : amide:sc= 0.0586 K(o=0.059,f=-8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.633 F(o=-1.8,f=-0.63) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0948) USER MOD Single : A 41 SER OG : rot 21:sc= 0.987 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.223) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.782 6.727 3.387 1.00 0.00 N ATOM 2 CA SER A 1 -4.861 6.896 1.912 1.00 0.00 C ATOM 3 C SER A 1 -3.661 7.674 1.381 1.00 0.00 C ATOM 4 O SER A 1 -3.007 7.250 0.428 1.00 0.00 O ATOM 5 CB SER A 1 -6.159 7.633 1.575 1.00 0.00 C ATOM 6 OG SER A 1 -7.220 6.719 1.350 1.00 0.00 O ATOM 0 H1 SER A 1 -5.737 6.579 3.771 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.187 5.904 3.611 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.366 7.580 3.812 1.00 0.00 H new ATOM 0 HA SER A 1 -4.851 5.914 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.421 8.306 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.011 8.250 0.688 1.00 0.00 H new ATOM 0 HG SER A 1 -8.039 7.214 1.138 1.00 0.00 H new ATOM 14 N ALA A 2 -3.378 8.812 2.004 1.00 0.00 N ATOM 15 CA ALA A 2 -2.258 9.649 1.595 1.00 0.00 C ATOM 16 C ALA A 2 -1.020 9.364 2.440 1.00 0.00 C ATOM 17 O ALA A 2 0.110 9.519 1.976 1.00 0.00 O ATOM 18 CB ALA A 2 -2.636 11.119 1.688 1.00 0.00 C ATOM 0 H ALA A 2 -3.910 9.176 2.795 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.020 9.411 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.790 11.733 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.486 11.318 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.904 11.361 2.716 1.00 0.00 H new ATOM 24 N ASP A 3 -1.240 8.948 3.684 1.00 0.00 N ATOM 25 CA ASP A 3 -0.142 8.644 4.593 1.00 0.00 C ATOM 26 C ASP A 3 0.743 7.536 4.029 1.00 0.00 C ATOM 27 O ASP A 3 1.946 7.496 4.292 1.00 0.00 O ATOM 28 CB ASP A 3 -0.686 8.231 5.962 1.00 0.00 C ATOM 29 CG ASP A 3 -0.819 9.407 6.909 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.919 9.593 7.472 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.174 10.141 7.089 1.00 0.00 O ATOM 0 H ASP A 3 -2.169 8.814 4.084 1.00 0.00 H new ATOM 0 HA ASP A 3 0.463 9.544 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.660 7.758 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.024 7.486 6.403 1.00 0.00 H new ATOM 36 N TYR A 4 0.141 6.640 3.254 1.00 0.00 N ATOM 37 CA TYR A 4 0.876 5.531 2.653 1.00 0.00 C ATOM 38 C TYR A 4 2.037 6.040 1.805 1.00 0.00 C ATOM 39 O TYR A 4 3.167 5.568 1.935 1.00 0.00 O ATOM 40 CB TYR A 4 -0.060 4.677 1.796 1.00 0.00 C ATOM 41 CG TYR A 4 -1.247 4.129 2.556 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.536 4.558 2.271 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.076 3.181 3.557 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.623 4.060 2.964 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.158 2.677 4.254 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.429 3.119 3.954 1.00 0.00 C ATOM 47 OH TYR A 4 -4.509 2.620 4.645 1.00 0.00 O ATOM 0 H TYR A 4 -0.853 6.659 3.027 1.00 0.00 H new ATOM 0 HA TYR A 4 1.281 4.919 3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.420 5.276 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.505 3.846 1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.692 5.293 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.082 2.832 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.619 4.406 2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.009 1.941 5.030 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.100 2.141 4.027 1.00 0.00 H new ATOM 57 N SER A 5 1.752 7.005 0.937 1.00 0.00 N ATOM 58 CA SER A 5 2.773 7.578 0.067 1.00 0.00 C ATOM 59 C SER A 5 3.921 8.166 0.884 1.00 0.00 C ATOM 60 O SER A 5 5.051 8.261 0.405 1.00 0.00 O ATOM 61 CB SER A 5 2.164 8.658 -0.827 1.00 0.00 C ATOM 62 OG SER A 5 1.541 9.670 -0.054 1.00 0.00 O ATOM 0 H SER A 5 0.822 7.407 0.817 1.00 0.00 H new ATOM 0 HA SER A 5 3.169 6.778 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.942 9.099 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.433 8.208 -1.499 1.00 0.00 H new ATOM 0 HG SER A 5 0.725 9.313 0.355 1.00 0.00 H new ATOM 68 N SER A 6 3.623 8.563 2.119 1.00 0.00 N ATOM 69 CA SER A 6 4.631 9.144 2.998 1.00 0.00 C ATOM 70 C SER A 6 5.527 8.063 3.601 1.00 0.00 C ATOM 71 O SER A 6 6.641 8.345 4.042 1.00 0.00 O ATOM 72 CB SER A 6 3.961 9.945 4.115 1.00 0.00 C ATOM 73 OG SER A 6 3.761 11.293 3.726 1.00 0.00 O ATOM 0 H SER A 6 2.693 8.493 2.532 1.00 0.00 H new ATOM 0 HA SER A 6 5.253 9.810 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.003 9.490 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.578 9.910 5.013 1.00 0.00 H new ATOM 0 HG SER A 6 3.330 11.784 4.456 1.00 0.00 H new ATOM 79 N LEU A 7 5.037 6.827 3.619 1.00 0.00 N ATOM 80 CA LEU A 7 5.800 5.712 4.170 1.00 0.00 C ATOM 81 C LEU A 7 6.833 5.210 3.168 1.00 0.00 C ATOM 82 O LEU A 7 6.682 5.392 1.959 1.00 0.00 O ATOM 83 CB LEU A 7 4.867 4.567 4.571 1.00 0.00 C ATOM 84 CG LEU A 7 3.515 4.997 5.140 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.708 3.783 5.576 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.709 5.956 6.305 1.00 0.00 C ATOM 0 H LEU A 7 4.117 6.573 3.259 1.00 0.00 H new ATOM 0 HA LEU A 7 6.322 6.071 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.692 3.939 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.375 3.949 5.311 1.00 0.00 H new ATOM 0 HG LEU A 7 2.960 5.514 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.749 4.109 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.539 3.131 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.257 3.238 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.737 6.252 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.283 5.464 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.247 6.840 5.963 1.00 0.00 H new ATOM 98 N THR A 8 7.879 4.571 3.678 1.00 0.00 N ATOM 99 CA THR A 8 8.938 4.034 2.831 1.00 0.00 C ATOM 100 C THR A 8 8.462 2.782 2.105 1.00 0.00 C ATOM 101 O THR A 8 7.399 2.243 2.410 1.00 0.00 O ATOM 102 CB THR A 8 10.172 3.701 3.670 1.00 0.00 C ATOM 103 OG1 THR A 8 9.991 2.474 4.359 1.00 0.00 O ATOM 104 CG2 THR A 8 10.504 4.760 4.698 1.00 0.00 C ATOM 0 H THR A 8 8.017 4.412 4.676 1.00 0.00 H new ATOM 0 HA THR A 8 9.199 4.793 2.093 1.00 0.00 H new ATOM 0 HB THR A 8 10.996 3.640 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.791 2.276 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.390 4.459 5.257 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.697 5.708 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.665 4.877 5.384 1.00 0.00 H new ATOM 112 N VAL A 9 9.261 2.315 1.150 1.00 0.00 N ATOM 113 CA VAL A 9 8.917 1.117 0.397 1.00 0.00 C ATOM 114 C VAL A 9 8.801 -0.080 1.332 1.00 0.00 C ATOM 115 O VAL A 9 7.889 -0.897 1.204 1.00 0.00 O ATOM 116 CB VAL A 9 9.963 0.812 -0.692 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.520 -0.366 -1.548 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.211 2.041 -1.552 1.00 0.00 C ATOM 0 H VAL A 9 10.146 2.746 0.882 1.00 0.00 H new ATOM 0 HA VAL A 9 7.958 1.301 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 9 10.899 0.542 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.273 -0.565 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.399 -1.248 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.570 -0.130 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.953 1.807 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.280 2.344 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.579 2.855 -0.927 1.00 0.00 H new ATOM 128 N VAL A 10 9.726 -0.167 2.282 1.00 0.00 N ATOM 129 CA VAL A 10 9.722 -1.253 3.252 1.00 0.00 C ATOM 130 C VAL A 10 8.485 -1.173 4.137 1.00 0.00 C ATOM 131 O VAL A 10 7.863 -2.189 4.448 1.00 0.00 O ATOM 132 CB VAL A 10 10.980 -1.224 4.139 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.053 -2.472 5.005 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.232 -1.084 3.286 1.00 0.00 C ATOM 0 H VAL A 10 10.487 0.502 2.400 1.00 0.00 H new ATOM 0 HA VAL A 10 9.713 -2.187 2.691 1.00 0.00 H new ATOM 0 HB VAL A 10 10.918 -0.357 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.949 -2.433 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.172 -2.523 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.091 -3.355 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.111 -1.065 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.302 -1.929 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.181 -0.157 2.715 1.00 0.00 H new ATOM 144 N GLN A 11 8.127 0.047 4.531 1.00 0.00 N ATOM 145 CA GLN A 11 6.957 0.262 5.371 1.00 0.00 C ATOM 146 C GLN A 11 5.686 -0.091 4.610 1.00 0.00 C ATOM 147 O GLN A 11 4.810 -0.786 5.126 1.00 0.00 O ATOM 148 CB GLN A 11 6.899 1.717 5.842 1.00 0.00 C ATOM 149 CG GLN A 11 7.623 1.961 7.155 1.00 0.00 C ATOM 150 CD GLN A 11 8.127 3.384 7.288 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.791 4.251 6.482 1.00 0.00 O ATOM 152 NE2 GLN A 11 8.939 3.631 8.309 1.00 0.00 N ATOM 0 H GLN A 11 8.631 0.898 4.281 1.00 0.00 H new ATOM 0 HA GLN A 11 7.035 -0.386 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.333 2.356 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.856 2.013 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.950 1.739 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.464 1.273 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.191 2.881 8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.311 4.570 8.449 1.00 0.00 H new ATOM 161 N LEU A 12 5.598 0.385 3.372 1.00 0.00 N ATOM 162 CA LEU A 12 4.440 0.115 2.531 1.00 0.00 C ATOM 163 C LEU A 12 4.311 -1.380 2.262 1.00 0.00 C ATOM 164 O LEU A 12 3.205 -1.917 2.197 1.00 0.00 O ATOM 165 CB LEU A 12 4.560 0.874 1.208 1.00 0.00 C ATOM 166 CG LEU A 12 4.030 2.308 1.235 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.401 3.038 -0.046 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.521 2.314 1.437 1.00 0.00 C ATOM 0 H LEU A 12 6.316 0.960 2.930 1.00 0.00 H new ATOM 0 HA LEU A 12 3.547 0.454 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.609 0.896 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.024 0.319 0.438 1.00 0.00 H new ATOM 0 HG LEU A 12 4.491 2.831 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.016 4.057 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.486 3.064 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.968 2.517 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.160 3.342 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.042 1.775 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.279 1.829 2.383 1.00 0.00 H new ATOM 180 N LYS A 13 5.451 -2.046 2.112 1.00 0.00 N ATOM 181 CA LYS A 13 5.469 -3.481 1.856 1.00 0.00 C ATOM 182 C LYS A 13 4.929 -4.250 3.057 1.00 0.00 C ATOM 183 O LYS A 13 4.147 -5.189 2.905 1.00 0.00 O ATOM 184 CB LYS A 13 6.892 -3.945 1.529 1.00 0.00 C ATOM 185 CG LYS A 13 7.022 -4.578 0.153 1.00 0.00 C ATOM 186 CD LYS A 13 8.462 -4.966 -0.147 1.00 0.00 C ATOM 187 CE LYS A 13 9.161 -3.907 -0.984 1.00 0.00 C ATOM 188 NZ LYS A 13 10.103 -4.509 -1.967 1.00 0.00 N ATOM 0 H LYS A 13 6.374 -1.615 2.163 1.00 0.00 H new ATOM 0 HA LYS A 13 4.826 -3.684 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.568 -3.092 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.214 -4.664 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.386 -5.462 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.666 -3.880 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.004 -5.109 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.481 -5.919 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.416 -3.312 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.706 -3.227 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.559 -3.754 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.829 -5.056 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.580 -5.138 -2.609 1.00 0.00 H new ATOM 202 N ASP A 14 5.344 -3.839 4.252 1.00 0.00 N ATOM 203 CA ASP A 14 4.895 -4.485 5.478 1.00 0.00 C ATOM 204 C ASP A 14 3.384 -4.354 5.623 1.00 0.00 C ATOM 205 O ASP A 14 2.693 -5.320 5.945 1.00 0.00 O ATOM 206 CB ASP A 14 5.595 -3.872 6.691 1.00 0.00 C ATOM 207 CG ASP A 14 5.986 -4.913 7.722 1.00 0.00 C ATOM 208 OD1 ASP A 14 5.283 -5.024 8.748 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.993 -5.617 7.502 1.00 0.00 O ATOM 0 H ASP A 14 5.990 -3.063 4.396 1.00 0.00 H new ATOM 0 HA ASP A 14 5.152 -5.543 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.487 -3.339 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.937 -3.136 7.153 1.00 0.00 H new ATOM 214 N LEU A 15 2.878 -3.151 5.375 1.00 0.00 N ATOM 215 CA LEU A 15 1.447 -2.891 5.467 1.00 0.00 C ATOM 216 C LEU A 15 0.683 -3.773 4.489 1.00 0.00 C ATOM 217 O LEU A 15 -0.336 -4.370 4.837 1.00 0.00 O ATOM 218 CB LEU A 15 1.156 -1.415 5.187 1.00 0.00 C ATOM 219 CG LEU A 15 1.069 -0.525 6.427 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.730 0.905 6.035 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.036 -1.071 7.400 1.00 0.00 C ATOM 0 H LEU A 15 3.438 -2.341 5.109 1.00 0.00 H new ATOM 0 HA LEU A 15 1.117 -3.127 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.935 -1.025 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.216 -1.343 4.641 1.00 0.00 H new ATOM 0 HG LEU A 15 2.041 -0.524 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.672 1.524 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.504 1.294 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.230 0.923 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.014 -0.426 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.940 -1.101 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.320 -2.078 7.705 1.00 0.00 H new ATOM 233 N LEU A 16 1.191 -3.857 3.267 1.00 0.00 N ATOM 234 CA LEU A 16 0.572 -4.674 2.237 1.00 0.00 C ATOM 235 C LEU A 16 0.600 -6.141 2.643 1.00 0.00 C ATOM 236 O LEU A 16 -0.358 -6.881 2.418 1.00 0.00 O ATOM 237 CB LEU A 16 1.298 -4.479 0.907 1.00 0.00 C ATOM 238 CG LEU A 16 1.036 -3.137 0.217 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.330 -2.547 -0.328 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.011 -3.301 -0.895 1.00 0.00 C ATOM 0 H LEU A 16 2.033 -3.367 2.966 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.467 -4.365 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.370 -4.580 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.006 -5.282 0.230 1.00 0.00 H new ATOM 0 HG LEU A 16 0.634 -2.445 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.119 -1.594 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.031 -2.389 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.767 -3.235 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.163 -2.338 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.385 -4.011 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.924 -3.672 -0.476 1.00 0.00 H new ATOM 252 N THR A 17 1.704 -6.554 3.258 1.00 0.00 N ATOM 253 CA THR A 17 1.853 -7.930 3.710 1.00 0.00 C ATOM 254 C THR A 17 0.746 -8.284 4.692 1.00 0.00 C ATOM 255 O THR A 17 0.136 -9.350 4.605 1.00 0.00 O ATOM 256 CB THR A 17 3.222 -8.129 4.364 1.00 0.00 C ATOM 257 OG1 THR A 17 4.248 -7.584 3.555 1.00 0.00 O ATOM 258 CG2 THR A 17 3.561 -9.581 4.618 1.00 0.00 C ATOM 0 H THR A 17 2.506 -5.955 3.454 1.00 0.00 H new ATOM 0 HA THR A 17 1.780 -8.590 2.846 1.00 0.00 H new ATOM 0 HB THR A 17 3.159 -7.615 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.347 -6.629 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.545 -9.649 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.815 -10.018 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.568 -10.124 3.673 1.00 0.00 H new ATOM 266 N LYS A 18 0.487 -7.372 5.622 1.00 0.00 N ATOM 267 CA LYS A 18 -0.556 -7.571 6.619 1.00 0.00 C ATOM 268 C LYS A 18 -1.936 -7.541 5.970 1.00 0.00 C ATOM 269 O LYS A 18 -2.860 -8.219 6.421 1.00 0.00 O ATOM 270 CB LYS A 18 -0.465 -6.495 7.704 1.00 0.00 C ATOM 271 CG LYS A 18 0.807 -6.570 8.532 1.00 0.00 C ATOM 272 CD LYS A 18 1.188 -5.209 9.091 1.00 0.00 C ATOM 273 CE LYS A 18 2.156 -5.337 10.256 1.00 0.00 C ATOM 274 NZ LYS A 18 2.569 -4.007 10.783 1.00 0.00 N ATOM 0 H LYS A 18 0.986 -6.486 5.706 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.409 -8.550 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.526 -5.513 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.326 -6.586 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.668 -7.275 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.621 -6.953 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.641 -4.605 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.290 -4.685 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.689 -5.915 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.039 -5.891 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.229 -4.138 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.037 -3.465 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.730 -3.488 11.113 1.00 0.00 H new ATOM 288 N ARG A 19 -2.068 -6.747 4.910 1.00 0.00 N ATOM 289 CA ARG A 19 -3.337 -6.624 4.200 1.00 0.00 C ATOM 290 C ARG A 19 -3.471 -7.679 3.099 1.00 0.00 C ATOM 291 O ARG A 19 -4.514 -7.779 2.453 1.00 0.00 O ATOM 292 CB ARG A 19 -3.466 -5.222 3.599 1.00 0.00 C ATOM 293 CG ARG A 19 -4.432 -4.322 4.353 1.00 0.00 C ATOM 294 CD ARG A 19 -4.560 -2.960 3.690 1.00 0.00 C ATOM 295 NE ARG A 19 -4.542 -1.874 4.666 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.592 -1.521 5.403 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.746 -2.167 5.278 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.491 -0.521 6.268 1.00 0.00 N ATOM 0 H ARG A 19 -1.312 -6.180 4.525 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.140 -6.788 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.483 -4.752 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.796 -5.309 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.412 -4.798 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.088 -4.197 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.744 -2.824 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.488 -2.920 3.120 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.673 -1.355 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.830 -2.937 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.548 -1.893 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.608 -0.021 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.297 -0.251 6.832 1.00 0.00 H new ATOM 312 N ASN A 20 -2.415 -8.461 2.888 1.00 0.00 N ATOM 313 CA ASN A 20 -2.426 -9.502 1.864 1.00 0.00 C ATOM 314 C ASN A 20 -2.569 -8.896 0.472 1.00 0.00 C ATOM 315 O ASN A 20 -3.336 -9.388 -0.357 1.00 0.00 O ATOM 316 CB ASN A 20 -3.562 -10.495 2.127 1.00 0.00 C ATOM 317 CG ASN A 20 -3.116 -11.675 2.966 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.331 -12.510 2.517 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.615 -11.750 4.195 1.00 0.00 N ATOM 0 H ASN A 20 -1.542 -8.394 3.412 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.475 -10.033 1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.380 -9.982 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.953 -10.856 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.350 -12.522 4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.263 -11.036 4.527 1.00 0.00 H new ATOM 326 N LEU A 21 -1.822 -7.826 0.219 1.00 0.00 N ATOM 327 CA LEU A 21 -1.862 -7.153 -1.074 1.00 0.00 C ATOM 328 C LEU A 21 -0.600 -7.448 -1.879 1.00 0.00 C ATOM 329 O LEU A 21 0.392 -7.938 -1.339 1.00 0.00 O ATOM 330 CB LEU A 21 -2.018 -5.643 -0.882 1.00 0.00 C ATOM 331 CG LEU A 21 -3.390 -5.193 -0.379 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.367 -3.715 -0.017 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.458 -5.469 -1.426 1.00 0.00 C ATOM 0 H LEU A 21 -1.181 -7.406 0.893 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.721 -7.532 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.260 -5.301 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.816 -5.149 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.632 -5.763 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.352 -3.412 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.629 -3.544 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.103 -3.129 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.428 -5.142 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.220 -4.925 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.492 -6.538 -1.638 1.00 0.00 H new ATOM 345 N SER A 22 -0.644 -7.147 -3.173 1.00 0.00 N ATOM 346 CA SER A 22 0.496 -7.381 -4.051 1.00 0.00 C ATOM 347 C SER A 22 1.496 -6.232 -3.962 1.00 0.00 C ATOM 348 O SER A 22 1.130 -5.064 -4.097 1.00 0.00 O ATOM 349 CB SER A 22 0.027 -7.554 -5.497 1.00 0.00 C ATOM 350 OG SER A 22 0.708 -8.624 -6.129 1.00 0.00 O ATOM 0 H SER A 22 -1.457 -6.741 -3.636 1.00 0.00 H new ATOM 0 HA SER A 22 0.991 -8.296 -3.726 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.047 -7.741 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.199 -6.631 -6.051 1.00 0.00 H new ATOM 0 HG SER A 22 0.389 -8.715 -7.051 1.00 0.00 H new ATOM 356 N VAL A 23 2.762 -6.572 -3.733 1.00 0.00 N ATOM 357 CA VAL A 23 3.815 -5.569 -3.625 1.00 0.00 C ATOM 358 C VAL A 23 4.702 -5.556 -4.868 1.00 0.00 C ATOM 359 O VAL A 23 5.825 -5.052 -4.834 1.00 0.00 O ATOM 360 CB VAL A 23 4.695 -5.812 -2.385 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.885 -5.629 -1.111 1.00 0.00 C ATOM 362 CG2 VAL A 23 5.318 -7.199 -2.435 1.00 0.00 C ATOM 0 H VAL A 23 3.082 -7.534 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 23 3.319 -4.603 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 23 5.500 -5.077 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.524 -5.805 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.493 -4.613 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.057 -6.338 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.936 -7.352 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.530 -7.951 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.935 -7.289 -3.329 1.00 0.00 H new ATOM 372 N GLY A 24 4.195 -6.115 -5.964 1.00 0.00 N ATOM 373 CA GLY A 24 4.961 -6.155 -7.197 1.00 0.00 C ATOM 374 C GLY A 24 5.000 -4.813 -7.903 1.00 0.00 C ATOM 375 O GLY A 24 5.942 -4.518 -8.637 1.00 0.00 O ATOM 0 H GLY A 24 3.269 -6.540 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.979 -6.476 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.529 -6.900 -7.865 1.00 0.00 H new ATOM 379 N GLY A 25 3.973 -3.999 -7.681 1.00 0.00 N ATOM 380 CA GLY A 25 3.913 -2.692 -8.310 1.00 0.00 C ATOM 381 C GLY A 25 4.817 -1.680 -7.635 1.00 0.00 C ATOM 382 O GLY A 25 5.355 -1.938 -6.558 1.00 0.00 O ATOM 0 H GLY A 25 3.181 -4.221 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.196 -2.784 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.886 -2.328 -8.287 1.00 0.00 H new ATOM 386 N LEU A 26 4.983 -0.523 -8.269 1.00 0.00 N ATOM 387 CA LEU A 26 5.828 0.533 -7.722 1.00 0.00 C ATOM 388 C LEU A 26 5.212 1.119 -6.456 1.00 0.00 C ATOM 389 O LEU A 26 4.052 0.855 -6.142 1.00 0.00 O ATOM 390 CB LEU A 26 6.033 1.638 -8.761 1.00 0.00 C ATOM 391 CG LEU A 26 6.912 1.251 -9.952 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.553 2.084 -11.173 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.384 1.420 -9.605 1.00 0.00 C ATOM 0 H LEU A 26 4.544 -0.293 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 26 6.794 0.098 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.058 1.950 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.477 2.503 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 26 6.732 0.202 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.188 1.795 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.509 1.915 -11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.705 3.140 -10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.995 1.140 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.579 2.460 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.634 0.781 -8.758 1.00 0.00 H new ATOM 405 N LYS A 27 5.995 1.917 -5.734 1.00 0.00 N ATOM 406 CA LYS A 27 5.526 2.541 -4.498 1.00 0.00 C ATOM 407 C LYS A 27 4.159 3.191 -4.695 1.00 0.00 C ATOM 408 O LYS A 27 3.250 3.006 -3.885 1.00 0.00 O ATOM 409 CB LYS A 27 6.535 3.584 -4.016 1.00 0.00 C ATOM 410 CG LYS A 27 6.562 3.751 -2.506 1.00 0.00 C ATOM 411 CD LYS A 27 7.653 4.718 -2.071 1.00 0.00 C ATOM 412 CE LYS A 27 7.089 6.102 -1.787 1.00 0.00 C ATOM 413 NZ LYS A 27 8.074 7.176 -2.092 1.00 0.00 N ATOM 0 H LYS A 27 6.957 2.147 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 27 5.429 1.761 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.530 3.301 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.300 4.544 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.594 4.115 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.724 2.782 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.146 4.334 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.412 4.786 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.188 6.256 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.795 6.166 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.651 8.104 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.924 7.044 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.336 7.131 -3.097 1.00 0.00 H new ATOM 427 N ASN A 28 4.021 3.952 -5.776 1.00 0.00 N ATOM 428 CA ASN A 28 2.764 4.625 -6.078 1.00 0.00 C ATOM 429 C ASN A 28 1.631 3.612 -6.234 1.00 0.00 C ATOM 430 O ASN A 28 0.484 3.887 -5.878 1.00 0.00 O ATOM 431 CB ASN A 28 2.901 5.469 -7.349 1.00 0.00 C ATOM 432 CG ASN A 28 2.939 4.629 -8.611 1.00 0.00 C ATOM 433 OD1 ASN A 28 1.776 4.149 -9.034 1.00 0.00 O flip ATOM 434 ND2 ASN A 28 4.001 4.414 -9.198 1.00 0.00 N flip ATOM 0 H ASN A 28 4.763 4.118 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 28 2.522 5.285 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.066 6.167 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.811 6.065 -7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.872 4.804 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.009 3.847 -10.046 1.00 0.00 H new ATOM 441 N GLU A 29 1.966 2.437 -6.760 1.00 0.00 N ATOM 442 CA GLU A 29 0.981 1.382 -6.954 1.00 0.00 C ATOM 443 C GLU A 29 0.528 0.841 -5.607 1.00 0.00 C ATOM 444 O GLU A 29 -0.639 0.500 -5.419 1.00 0.00 O ATOM 445 CB GLU A 29 1.566 0.255 -7.809 1.00 0.00 C ATOM 446 CG GLU A 29 1.124 0.302 -9.262 1.00 0.00 C ATOM 447 CD GLU A 29 -0.362 0.049 -9.429 1.00 0.00 C ATOM 448 OE1 GLU A 29 -1.102 1.016 -9.706 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.785 -1.118 -9.285 1.00 0.00 O ATOM 0 H GLU A 29 2.911 2.194 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 29 0.119 1.798 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.654 0.306 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.275 -0.704 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.372 1.277 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.681 -0.442 -9.832 1.00 0.00 H new ATOM 456 N LEU A 30 1.465 0.780 -4.668 1.00 0.00 N ATOM 457 CA LEU A 30 1.172 0.299 -3.328 1.00 0.00 C ATOM 458 C LEU A 30 0.244 1.270 -2.614 1.00 0.00 C ATOM 459 O LEU A 30 -0.655 0.864 -1.875 1.00 0.00 O ATOM 460 CB LEU A 30 2.467 0.133 -2.531 1.00 0.00 C ATOM 461 CG LEU A 30 3.599 -0.587 -3.265 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.843 -0.654 -2.392 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.163 -1.984 -3.681 1.00 0.00 C ATOM 0 H LEU A 30 2.435 1.059 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 30 0.679 -0.670 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.820 1.120 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.243 -0.415 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 30 3.840 -0.021 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.638 -1.170 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.169 0.356 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.615 -1.197 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.982 -2.481 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.894 -2.560 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.301 -1.914 -4.344 1.00 0.00 H new ATOM 475 N VAL A 31 0.464 2.560 -2.850 1.00 0.00 N ATOM 476 CA VAL A 31 -0.352 3.601 -2.241 1.00 0.00 C ATOM 477 C VAL A 31 -1.789 3.524 -2.743 1.00 0.00 C ATOM 478 O VAL A 31 -2.736 3.558 -1.957 1.00 0.00 O ATOM 479 CB VAL A 31 0.216 5.002 -2.544 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.625 6.085 -1.880 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.668 5.095 -2.097 1.00 0.00 C ATOM 0 H VAL A 31 1.203 2.908 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.336 3.438 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 31 0.177 5.161 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.204 7.064 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.647 6.033 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.626 5.934 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.054 6.090 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.731 4.911 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.261 4.350 -2.628 1.00 0.00 H new ATOM 491 N GLN A 32 -1.941 3.417 -4.055 1.00 0.00 N ATOM 492 CA GLN A 32 -3.260 3.331 -4.669 1.00 0.00 C ATOM 493 C GLN A 32 -3.989 2.073 -4.211 1.00 0.00 C ATOM 494 O GLN A 32 -5.204 2.086 -4.012 1.00 0.00 O ATOM 495 CB GLN A 32 -3.140 3.340 -6.194 1.00 0.00 C ATOM 496 CG GLN A 32 -3.161 4.736 -6.797 1.00 0.00 C ATOM 497 CD GLN A 32 -3.469 4.724 -8.283 1.00 0.00 C ATOM 498 OE1 GLN A 32 -3.128 3.776 -8.991 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.116 5.779 -8.762 1.00 0.00 N ATOM 0 H GLN A 32 -1.166 3.388 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.838 4.200 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.213 2.843 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.958 2.757 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.906 5.340 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.195 5.213 -6.634 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.379 6.542 -8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.350 5.827 -9.754 1.00 0.00 H new ATOM 508 N ARG A 33 -3.241 0.987 -4.043 1.00 0.00 N ATOM 509 CA ARG A 33 -3.827 -0.275 -3.605 1.00 0.00 C ATOM 510 C ARG A 33 -4.392 -0.137 -2.196 1.00 0.00 C ATOM 511 O ARG A 33 -5.515 -0.562 -1.923 1.00 0.00 O ATOM 512 CB ARG A 33 -2.780 -1.391 -3.643 1.00 0.00 C ATOM 513 CG ARG A 33 -3.380 -2.780 -3.783 1.00 0.00 C ATOM 514 CD ARG A 33 -2.534 -3.663 -4.686 1.00 0.00 C ATOM 515 NE ARG A 33 -2.470 -3.147 -6.052 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.883 -3.788 -7.060 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.308 -4.968 -6.860 1.00 0.00 N ATOM 518 NH2 ARG A 33 -1.868 -3.247 -8.270 1.00 0.00 N ATOM 0 H ARG A 33 -2.234 0.955 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.639 -0.532 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.100 -1.212 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.185 -1.351 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.467 -3.241 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.389 -2.703 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.526 -3.737 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.948 -4.671 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.901 -2.242 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.315 -5.388 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.860 -5.455 -7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.306 -2.340 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.418 -3.738 -9.043 1.00 0.00 H new ATOM 532 N LEU A 34 -3.615 0.478 -1.311 1.00 0.00 N ATOM 533 CA LEU A 34 -4.049 0.692 0.063 1.00 0.00 C ATOM 534 C LEU A 34 -5.205 1.684 0.094 1.00 0.00 C ATOM 535 O LEU A 34 -6.135 1.553 0.890 1.00 0.00 O ATOM 536 CB LEU A 34 -2.889 1.208 0.916 1.00 0.00 C ATOM 537 CG LEU A 34 -1.905 0.136 1.388 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.486 0.682 1.400 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.295 -0.373 2.768 1.00 0.00 C ATOM 0 H LEU A 34 -2.683 0.836 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.385 -0.259 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.341 1.955 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.298 1.714 1.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.944 -0.700 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.200 -0.095 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.209 0.998 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.430 1.535 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.585 -1.135 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.285 0.455 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.296 -0.804 2.728 1.00 0.00 H new ATOM 551 N ILE A 35 -5.133 2.673 -0.790 1.00 0.00 N ATOM 552 CA ILE A 35 -6.163 3.697 -0.889 1.00 0.00 C ATOM 553 C ILE A 35 -7.482 3.094 -1.368 1.00 0.00 C ATOM 554 O ILE A 35 -8.550 3.420 -0.849 1.00 0.00 O ATOM 555 CB ILE A 35 -5.727 4.823 -1.854 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.567 5.617 -1.249 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.890 5.749 -2.183 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.707 6.313 -2.282 1.00 0.00 C ATOM 0 H ILE A 35 -4.366 2.786 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.307 4.120 0.105 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.394 4.362 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.967 6.361 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.943 4.943 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.552 6.530 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.688 5.177 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.264 6.204 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.905 6.856 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.278 5.572 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.318 7.013 -2.852 1.00 0.00 H new ATOM 570 N LYS A 36 -7.398 2.212 -2.360 1.00 0.00 N ATOM 571 CA LYS A 36 -8.583 1.563 -2.907 1.00 0.00 C ATOM 572 C LYS A 36 -9.231 0.650 -1.871 1.00 0.00 C ATOM 573 O LYS A 36 -10.455 0.615 -1.740 1.00 0.00 O ATOM 574 CB LYS A 36 -8.218 0.761 -4.158 1.00 0.00 C ATOM 575 CG LYS A 36 -8.468 1.510 -5.455 1.00 0.00 C ATOM 576 CD LYS A 36 -8.314 0.600 -6.663 1.00 0.00 C ATOM 577 CE LYS A 36 -8.539 1.355 -7.964 1.00 0.00 C ATOM 578 NZ LYS A 36 -7.460 2.349 -8.221 1.00 0.00 N ATOM 0 H LYS A 36 -6.522 1.931 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.300 2.338 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.166 0.482 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.793 -0.165 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.472 1.934 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.770 2.344 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.316 0.161 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.024 -0.224 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.586 0.647 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.502 1.865 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.553 2.721 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.539 3.131 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.533 1.890 -8.115 1.00 0.00 H new ATOM 592 N ASP A 37 -8.403 -0.088 -1.139 1.00 0.00 N ATOM 593 CA ASP A 37 -8.896 -1.001 -0.115 1.00 0.00 C ATOM 594 C ASP A 37 -9.582 -0.235 1.013 1.00 0.00 C ATOM 595 O ASP A 37 -10.615 -0.663 1.528 1.00 0.00 O ATOM 596 CB ASP A 37 -7.746 -1.839 0.447 1.00 0.00 C ATOM 597 CG ASP A 37 -7.596 -3.167 -0.267 1.00 0.00 C ATOM 598 OD1 ASP A 37 -8.144 -4.174 0.230 1.00 0.00 O ATOM 599 OD2 ASP A 37 -6.929 -3.202 -1.324 1.00 0.00 O ATOM 0 H ASP A 37 -7.388 -0.071 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.628 -1.664 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.816 -1.277 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.915 -2.018 1.509 1.00 0.00 H new ATOM 604 N ASP A 38 -9.001 0.898 1.390 1.00 0.00 N ATOM 605 CA ASP A 38 -9.557 1.723 2.455 1.00 0.00 C ATOM 606 C ASP A 38 -10.843 2.404 2.000 1.00 0.00 C ATOM 607 O ASP A 38 -11.812 2.492 2.755 1.00 0.00 O ATOM 608 CB ASP A 38 -8.538 2.774 2.901 1.00 0.00 C ATOM 609 CG ASP A 38 -7.700 2.305 4.074 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.885 1.377 3.888 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.857 2.867 5.178 1.00 0.00 O ATOM 0 H ASP A 38 -8.145 1.266 0.974 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.790 1.074 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.883 3.019 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.061 3.690 3.175 1.00 0.00 H new ATOM 616 N GLU A 39 -10.842 2.884 0.763 1.00 0.00 N ATOM 617 CA GLU A 39 -12.008 3.558 0.203 1.00 0.00 C ATOM 618 C GLU A 39 -13.133 2.564 -0.065 1.00 0.00 C ATOM 619 O GLU A 39 -14.311 2.880 0.111 1.00 0.00 O ATOM 620 CB GLU A 39 -11.632 4.283 -1.090 1.00 0.00 C ATOM 621 CG GLU A 39 -11.256 5.742 -0.881 1.00 0.00 C ATOM 622 CD GLU A 39 -12.415 6.684 -1.137 1.00 0.00 C ATOM 623 OE1 GLU A 39 -12.656 7.573 -0.292 1.00 0.00 O ATOM 624 OE2 GLU A 39 -13.083 6.535 -2.182 1.00 0.00 O ATOM 0 H GLU A 39 -10.047 2.819 0.128 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.359 4.289 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.795 3.764 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.470 4.228 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.900 5.879 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.430 5.999 -1.544 1.00 0.00 H new ATOM 631 N GLU A 40 -12.763 1.362 -0.491 1.00 0.00 N ATOM 632 CA GLU A 40 -13.740 0.320 -0.784 1.00 0.00 C ATOM 633 C GLU A 40 -14.443 -0.140 0.488 1.00 0.00 C ATOM 634 O GLU A 40 -15.646 -0.402 0.486 1.00 0.00 O ATOM 635 CB GLU A 40 -13.061 -0.871 -1.464 1.00 0.00 C ATOM 636 CG GLU A 40 -12.989 -0.746 -2.978 1.00 0.00 C ATOM 637 CD GLU A 40 -14.140 -1.444 -3.675 1.00 0.00 C ATOM 638 OE1 GLU A 40 -15.261 -0.893 -3.666 1.00 0.00 O ATOM 639 OE2 GLU A 40 -13.921 -2.541 -4.230 1.00 0.00 O ATOM 0 H GLU A 40 -11.793 1.085 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.486 0.738 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.051 -0.978 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.602 -1.782 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.989 0.309 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.047 -1.167 -3.329 1.00 0.00 H new ATOM 646 N SER A 41 -13.682 -0.237 1.572 1.00 0.00 N ATOM 647 CA SER A 41 -14.229 -0.666 2.855 1.00 0.00 C ATOM 648 C SER A 41 -15.185 0.382 3.416 1.00 0.00 C ATOM 649 O SER A 41 -16.159 0.050 4.090 1.00 0.00 O ATOM 650 CB SER A 41 -13.098 -0.929 3.851 1.00 0.00 C ATOM 651 OG SER A 41 -12.109 0.083 3.779 1.00 0.00 O ATOM 0 H SER A 41 -12.685 -0.025 1.589 1.00 0.00 H new ATOM 0 HA SER A 41 -14.785 -1.590 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.503 -0.975 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.646 -1.899 3.645 1.00 0.00 H new ATOM 0 HG SER A 41 -12.492 0.886 3.369 1.00 0.00 H new ATOM 657 N LYS A 42 -14.898 1.649 3.134 1.00 0.00 N ATOM 658 CA LYS A 42 -15.733 2.746 3.612 1.00 0.00 C ATOM 659 C LYS A 42 -16.932 2.965 2.693 1.00 0.00 C ATOM 660 O LYS A 42 -17.936 3.552 3.098 1.00 0.00 O ATOM 661 CB LYS A 42 -14.912 4.032 3.711 1.00 0.00 C ATOM 662 CG LYS A 42 -15.464 5.031 4.714 1.00 0.00 C ATOM 663 CD LYS A 42 -14.607 6.285 4.782 1.00 0.00 C ATOM 664 CE LYS A 42 -13.502 6.148 5.817 1.00 0.00 C ATOM 665 NZ LYS A 42 -12.216 5.717 5.203 1.00 0.00 N ATOM 0 H LYS A 42 -14.095 1.941 2.578 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.104 2.480 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.889 3.779 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.869 4.502 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.483 5.300 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.513 4.569 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.168 6.481 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.233 7.142 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.360 7.102 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.803 5.425 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.772 4.990 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.397 5.324 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.579 6.535 5.122 1.00 0.00 H new ATOM 679 N GLY A 43 -16.824 2.494 1.454 1.00 0.00 N ATOM 680 CA GLY A 43 -17.908 2.652 0.503 1.00 0.00 C ATOM 681 C GLY A 43 -18.841 1.456 0.483 1.00 0.00 C ATOM 682 O GLY A 43 -19.905 1.480 1.101 1.00 0.00 O ATOM 0 H GLY A 43 -16.005 2.006 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -18.477 3.548 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.494 2.802 -0.494 1.00 0.00 H new ATOM 686 N GLU A 44 -18.441 0.409 -0.229 1.00 0.00 N ATOM 687 CA GLU A 44 -19.249 -0.801 -0.329 1.00 0.00 C ATOM 688 C GLU A 44 -19.105 -1.657 0.926 1.00 0.00 C ATOM 689 O GLU A 44 -18.134 -1.523 1.672 1.00 0.00 O ATOM 690 CB GLU A 44 -18.843 -1.612 -1.562 1.00 0.00 C ATOM 691 CG GLU A 44 -20.017 -2.263 -2.276 1.00 0.00 C ATOM 692 CD GLU A 44 -20.008 -2.003 -3.770 1.00 0.00 C ATOM 693 OE1 GLU A 44 -20.118 -0.825 -4.168 1.00 0.00 O ATOM 694 OE2 GLU A 44 -19.893 -2.978 -4.542 1.00 0.00 O ATOM 0 H GLU A 44 -17.562 0.373 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.293 -0.503 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.321 -0.958 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.137 -2.386 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.995 -3.338 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.949 -1.889 -1.851 1.00 0.00 H new ATOM 701 N SER A 45 -20.078 -2.533 1.154 1.00 0.00 N ATOM 702 CA SER A 45 -20.060 -3.409 2.319 1.00 0.00 C ATOM 703 C SER A 45 -19.381 -4.735 1.991 1.00 0.00 C ATOM 704 O SER A 45 -19.840 -5.481 1.126 1.00 0.00 O ATOM 705 CB SER A 45 -21.485 -3.661 2.816 1.00 0.00 C ATOM 706 OG SER A 45 -21.910 -2.627 3.687 1.00 0.00 O ATOM 0 H SER A 45 -20.889 -2.655 0.547 1.00 0.00 H new ATOM 0 HA SER A 45 -19.491 -2.915 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 45 -22.164 -3.727 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 45 -21.529 -4.619 3.334 1.00 0.00 H new ATOM 0 HG SER A 45 -22.824 -2.809 3.990 1.00 0.00 H new ATOM 712 N GLU A 46 -18.287 -5.023 2.689 1.00 0.00 N ATOM 713 CA GLU A 46 -17.545 -6.259 2.472 1.00 0.00 C ATOM 714 C GLU A 46 -16.600 -6.538 3.636 1.00 0.00 C ATOM 715 O GLU A 46 -15.619 -5.823 3.838 1.00 0.00 O ATOM 716 CB GLU A 46 -16.755 -6.182 1.163 1.00 0.00 C ATOM 717 CG GLU A 46 -16.892 -7.423 0.297 1.00 0.00 C ATOM 718 CD GLU A 46 -15.900 -7.445 -0.850 1.00 0.00 C ATOM 719 OE1 GLU A 46 -16.341 -7.418 -2.018 1.00 0.00 O ATOM 720 OE2 GLU A 46 -14.681 -7.487 -0.580 1.00 0.00 O ATOM 0 H GLU A 46 -17.895 -4.417 3.410 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.262 -7.077 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.091 -5.314 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.701 -6.024 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.748 -8.310 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.905 -7.473 -0.102 1.00 0.00 H new ATOM 727 N VAL A 47 -16.904 -7.583 4.401 1.00 0.00 N ATOM 728 CA VAL A 47 -16.082 -7.957 5.546 1.00 0.00 C ATOM 729 C VAL A 47 -14.987 -8.938 5.139 1.00 0.00 C ATOM 730 O VAL A 47 -15.251 -9.934 4.465 1.00 0.00 O ATOM 731 CB VAL A 47 -16.934 -8.582 6.669 1.00 0.00 C ATOM 732 CG1 VAL A 47 -17.605 -9.860 6.188 1.00 0.00 C ATOM 733 CG2 VAL A 47 -16.082 -8.848 7.902 1.00 0.00 C ATOM 0 H VAL A 47 -17.713 -8.185 4.248 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.622 -7.042 5.920 1.00 0.00 H new ATOM 0 HB VAL A 47 -17.715 -7.873 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -18.201 -10.284 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -18.252 -9.635 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.844 -10.578 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.701 -9.289 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -15.276 -9.536 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -15.658 -7.910 8.261 1.00 0.00 H new ATOM 743 N SER A 48 -13.757 -8.650 5.552 1.00 0.00 N ATOM 744 CA SER A 48 -12.622 -9.507 5.233 1.00 0.00 C ATOM 745 C SER A 48 -11.908 -9.963 6.504 1.00 0.00 C ATOM 746 O SER A 48 -11.085 -9.233 7.058 1.00 0.00 O ATOM 747 CB SER A 48 -11.640 -8.766 4.323 1.00 0.00 C ATOM 748 OG SER A 48 -11.083 -9.638 3.354 1.00 0.00 O ATOM 0 H SER A 48 -13.521 -7.829 6.109 1.00 0.00 H new ATOM 0 HA SER A 48 -12.998 -10.388 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.152 -7.943 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.843 -8.328 4.924 1.00 0.00 H new ATOM 0 HG SER A 48 -10.461 -9.139 2.785 1.00 0.00 H new ATOM 754 N PRO A 49 -12.212 -11.182 6.987 1.00 0.00 N ATOM 755 CA PRO A 49 -11.593 -11.727 8.199 1.00 0.00 C ATOM 756 C PRO A 49 -10.072 -11.612 8.177 1.00 0.00 C ATOM 757 O PRO A 49 -9.470 -11.034 9.082 1.00 0.00 O ATOM 758 CB PRO A 49 -12.019 -13.195 8.184 1.00 0.00 C ATOM 759 CG PRO A 49 -13.301 -13.207 7.427 1.00 0.00 C ATOM 760 CD PRO A 49 -13.183 -12.120 6.392 1.00 0.00 C ATOM 0 HA PRO A 49 -11.904 -11.188 9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.268 -13.821 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.152 -13.579 9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.467 -14.176 6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.147 -13.024 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.830 -12.511 5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -14.143 -11.639 6.204 1.00 0.00 H new ATOM 768 N GLN A 50 -9.457 -12.166 7.139 1.00 0.00 N ATOM 769 CA GLN A 50 -8.006 -12.125 6.999 1.00 0.00 C ATOM 770 C GLN A 50 -7.578 -10.950 6.124 1.00 0.00 C ATOM 771 O GLN A 50 -6.582 -10.283 6.477 1.00 0.00 O ATOM 772 CB GLN A 50 -7.493 -13.437 6.402 1.00 0.00 C ATOM 773 CG GLN A 50 -6.970 -14.414 7.442 1.00 0.00 C ATOM 774 CD GLN A 50 -7.988 -15.477 7.807 1.00 0.00 C ATOM 775 OE1 GLN A 50 -8.643 -15.396 8.846 1.00 0.00 O ATOM 776 NE2 GLN A 50 -8.125 -16.483 6.951 1.00 0.00 N ATOM 777 OXT GLN A 50 -8.240 -10.709 5.093 1.00 0.00 O ATOM 0 H GLN A 50 -9.940 -12.649 6.382 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.573 -11.993 7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.299 -13.912 5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.698 -13.216 5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.068 -14.895 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.685 -13.865 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.561 -16.510 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.794 -17.229 7.143 1.00 0.00 H new TER 786 GLN A 50