USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 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 Set 1.1: A 8 THR OG1 : rot -86:sc= 0.402 USER MOD Set 1.2: A 11 GLN : amide:sc= -2.11! C(o=-1.7!,f=-7.9!) USER MOD Single : A 1 SER N :NH3+ 160:sc= 0.951 (180deg=-0.315) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -23:sc= 0.0201 USER MOD Single : A 5 SER OG : rot -64:sc= 1.13 USER MOD Single : A 6 SER OG : rot -39:sc= 1.07 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 62:sc= 0.385 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 36:sc= 0.27 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 -4.861 6.866 3.517 1.00 0.00 N ATOM 2 CA SER A 1 -4.894 7.010 2.037 1.00 0.00 C ATOM 3 C SER A 1 -3.691 7.802 1.536 1.00 0.00 C ATOM 4 O SER A 1 -3.016 7.393 0.591 1.00 0.00 O ATOM 5 CB SER A 1 -6.193 7.716 1.645 1.00 0.00 C ATOM 6 OG SER A 1 -7.267 6.796 1.556 1.00 0.00 O ATOM 0 H1 SER A 1 -5.814 6.639 3.865 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.206 6.101 3.777 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.540 7.757 3.945 1.00 0.00 H new ATOM 0 HA SER A 1 -4.851 6.022 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.429 8.485 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.062 8.220 0.688 1.00 0.00 H new ATOM 0 HG SER A 1 -8.086 7.272 1.306 1.00 0.00 H new ATOM 14 N ALA A 2 -3.430 8.938 2.174 1.00 0.00 N ATOM 15 CA ALA A 2 -2.308 9.788 1.793 1.00 0.00 C ATOM 16 C ALA A 2 -1.077 9.487 2.641 1.00 0.00 C ATOM 17 O ALA A 2 0.056 9.639 2.185 1.00 0.00 O ATOM 18 CB ALA A 2 -2.692 11.254 1.919 1.00 0.00 C ATOM 0 H ALA A 2 -3.980 9.291 2.957 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.060 9.576 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.846 11.878 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.538 11.466 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.968 11.470 2.951 1.00 0.00 H new ATOM 24 N ASP A 3 -1.307 9.057 3.878 1.00 0.00 N ATOM 25 CA ASP A 3 -0.217 8.734 4.790 1.00 0.00 C ATOM 26 C ASP A 3 0.664 7.626 4.220 1.00 0.00 C ATOM 27 O ASP A 3 1.859 7.559 4.509 1.00 0.00 O ATOM 28 CB ASP A 3 -0.773 8.310 6.151 1.00 0.00 C ATOM 29 CG ASP A 3 0.032 8.876 7.306 1.00 0.00 C ATOM 30 OD1 ASP A 3 1.101 8.309 7.617 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.407 9.884 7.897 1.00 0.00 O ATOM 0 H ASP A 3 -2.239 8.924 4.271 1.00 0.00 H new ATOM 0 HA ASP A 3 0.394 9.628 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.808 8.641 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.780 7.222 6.215 1.00 0.00 H new ATOM 36 N TYR A 4 0.068 6.759 3.408 1.00 0.00 N ATOM 37 CA TYR A 4 0.799 5.655 2.798 1.00 0.00 C ATOM 38 C TYR A 4 1.960 6.169 1.953 1.00 0.00 C ATOM 39 O TYR A 4 3.084 5.676 2.057 1.00 0.00 O ATOM 40 CB TYR A 4 -0.139 4.809 1.935 1.00 0.00 C ATOM 41 CG TYR A 4 -1.320 4.246 2.696 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.611 4.690 2.439 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.142 3.270 3.668 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.691 4.178 3.132 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.218 2.753 4.364 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.491 3.211 4.093 1.00 0.00 C ATOM 47 OH TYR A 4 -4.564 2.698 4.784 1.00 0.00 O ATOM 0 H TYR A 4 -0.920 6.800 3.157 1.00 0.00 H new ATOM 0 HA TYR A 4 1.203 5.036 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.507 5.418 1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.427 3.986 1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.773 5.447 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.147 2.909 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.688 4.534 2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.063 1.994 5.117 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.305 3.339 4.761 1.00 0.00 H new ATOM 57 N SER A 5 1.681 7.162 1.115 1.00 0.00 N ATOM 58 CA SER A 5 2.702 7.743 0.251 1.00 0.00 C ATOM 59 C SER A 5 3.855 8.317 1.070 1.00 0.00 C ATOM 60 O SER A 5 4.980 8.428 0.582 1.00 0.00 O ATOM 61 CB SER A 5 2.092 8.837 -0.628 1.00 0.00 C ATOM 62 OG SER A 5 1.493 9.851 0.161 1.00 0.00 O ATOM 0 H SER A 5 0.756 7.581 1.016 1.00 0.00 H new ATOM 0 HA SER A 5 3.095 6.950 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.865 9.273 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.346 8.400 -1.292 1.00 0.00 H new ATOM 0 HG SER A 5 0.740 9.473 0.663 1.00 0.00 H new ATOM 68 N SER A 6 3.569 8.682 2.316 1.00 0.00 N ATOM 69 CA SER A 6 4.585 9.245 3.198 1.00 0.00 C ATOM 70 C SER A 6 5.492 8.155 3.764 1.00 0.00 C ATOM 71 O SER A 6 6.609 8.431 4.200 1.00 0.00 O ATOM 72 CB SER A 6 3.925 10.020 4.341 1.00 0.00 C ATOM 73 OG SER A 6 3.546 9.153 5.396 1.00 0.00 O ATOM 0 H SER A 6 2.644 8.598 2.737 1.00 0.00 H new ATOM 0 HA SER A 6 5.198 9.927 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.615 10.775 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.047 10.548 3.967 1.00 0.00 H new ATOM 0 HG SER A 6 3.189 8.320 5.023 1.00 0.00 H new ATOM 79 N LEU A 7 5.006 6.915 3.756 1.00 0.00 N ATOM 80 CA LEU A 7 5.781 5.791 4.271 1.00 0.00 C ATOM 81 C LEU A 7 6.801 5.317 3.242 1.00 0.00 C ATOM 82 O LEU A 7 6.674 5.598 2.051 1.00 0.00 O ATOM 83 CB LEU A 7 4.858 4.633 4.658 1.00 0.00 C ATOM 84 CG LEU A 7 3.506 5.044 5.245 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.690 3.814 5.614 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.703 5.938 6.459 1.00 0.00 C ATOM 0 H LEU A 7 4.083 6.665 3.400 1.00 0.00 H new ATOM 0 HA LEU A 7 6.314 6.131 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.681 4.020 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.375 4.005 5.383 1.00 0.00 H new ATOM 0 HG LEU A 7 2.958 5.606 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.732 4.125 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.520 3.209 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.233 3.226 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.731 6.221 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.270 5.400 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.249 6.835 6.166 1.00 0.00 H new ATOM 98 N THR A 8 7.810 4.591 3.711 1.00 0.00 N ATOM 99 CA THR A 8 8.852 4.070 2.834 1.00 0.00 C ATOM 100 C THR A 8 8.359 2.836 2.089 1.00 0.00 C ATOM 101 O THR A 8 7.292 2.304 2.393 1.00 0.00 O ATOM 102 CB THR A 8 10.099 3.715 3.645 1.00 0.00 C ATOM 103 OG1 THR A 8 9.900 2.508 4.362 1.00 0.00 O ATOM 104 CG2 THR A 8 10.494 4.783 4.641 1.00 0.00 C ATOM 0 H THR A 8 7.928 4.350 4.695 1.00 0.00 H new ATOM 0 HA THR A 8 9.104 4.843 2.108 1.00 0.00 H new ATOM 0 HB THR A 8 10.901 3.615 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.462 2.704 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.386 4.465 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.702 5.714 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.679 4.941 5.348 1.00 0.00 H new ATOM 112 N VAL A 9 9.146 2.378 1.121 1.00 0.00 N ATOM 113 CA VAL A 9 8.784 1.197 0.350 1.00 0.00 C ATOM 114 C VAL A 9 8.681 -0.018 1.262 1.00 0.00 C ATOM 115 O VAL A 9 7.762 -0.828 1.138 1.00 0.00 O ATOM 116 CB VAL A 9 9.806 0.913 -0.768 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.367 -0.278 -1.608 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.000 2.145 -1.638 1.00 0.00 C ATOM 0 H VAL A 9 10.033 2.805 0.854 1.00 0.00 H new ATOM 0 HA VAL A 9 7.816 1.393 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 9 10.762 0.667 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.102 -0.461 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.285 -1.160 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.399 -0.066 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.725 1.926 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.049 2.424 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.366 2.969 -1.025 1.00 0.00 H new ATOM 128 N VAL A 10 9.626 -0.131 2.190 1.00 0.00 N ATOM 129 CA VAL A 10 9.636 -1.237 3.136 1.00 0.00 C ATOM 130 C VAL A 10 8.418 -1.167 4.047 1.00 0.00 C ATOM 131 O VAL A 10 7.791 -2.183 4.345 1.00 0.00 O ATOM 132 CB VAL A 10 10.914 -1.236 3.997 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.970 -2.476 4.875 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.152 -1.140 3.117 1.00 0.00 C ATOM 0 H VAL A 10 10.394 0.530 2.306 1.00 0.00 H new ATOM 0 HA VAL A 10 9.610 -2.160 2.556 1.00 0.00 H new ATOM 0 HB VAL A 10 10.890 -0.361 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.880 -2.456 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.101 -2.495 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.969 -3.367 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.044 -1.141 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.184 -1.993 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.116 -0.217 2.538 1.00 0.00 H new ATOM 144 N GLN A 11 8.081 0.046 4.478 1.00 0.00 N ATOM 145 CA GLN A 11 6.929 0.252 5.345 1.00 0.00 C ATOM 146 C GLN A 11 5.644 -0.086 4.601 1.00 0.00 C ATOM 147 O GLN A 11 4.783 -0.801 5.116 1.00 0.00 O ATOM 148 CB GLN A 11 6.884 1.700 5.838 1.00 0.00 C ATOM 149 CG GLN A 11 7.597 1.915 7.163 1.00 0.00 C ATOM 150 CD GLN A 11 7.873 3.378 7.447 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.375 4.104 6.589 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.545 3.818 8.655 1.00 0.00 N ATOM 0 H GLN A 11 8.589 0.898 4.241 1.00 0.00 H new ATOM 0 HA GLN A 11 7.022 -0.408 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.334 2.346 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.843 2.008 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.991 1.501 7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.539 1.366 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.131 3.180 9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.707 4.794 8.904 1.00 0.00 H new ATOM 161 N LEU A 12 5.527 0.425 3.379 1.00 0.00 N ATOM 162 CA LEU A 12 4.355 0.171 2.554 1.00 0.00 C ATOM 163 C LEU A 12 4.232 -1.316 2.243 1.00 0.00 C ATOM 164 O LEU A 12 3.135 -1.875 2.247 1.00 0.00 O ATOM 165 CB LEU A 12 4.440 0.971 1.254 1.00 0.00 C ATOM 166 CG LEU A 12 3.880 2.391 1.330 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.512 3.273 0.264 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.365 2.375 1.184 1.00 0.00 C ATOM 0 H LEU A 12 6.231 1.018 2.940 1.00 0.00 H new ATOM 0 HA LEU A 12 3.470 0.486 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.484 1.025 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.905 0.427 0.475 1.00 0.00 H new ATOM 0 HG LEU A 12 4.126 2.806 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.101 4.280 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.591 3.310 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.298 2.862 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.983 3.394 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.097 1.940 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.928 1.779 1.986 1.00 0.00 H new ATOM 180 N LYS A 13 5.370 -1.952 1.978 1.00 0.00 N ATOM 181 CA LYS A 13 5.394 -3.376 1.668 1.00 0.00 C ATOM 182 C LYS A 13 4.941 -4.197 2.871 1.00 0.00 C ATOM 183 O LYS A 13 4.275 -5.221 2.720 1.00 0.00 O ATOM 184 CB LYS A 13 6.800 -3.803 1.241 1.00 0.00 C ATOM 185 CG LYS A 13 7.018 -3.762 -0.262 1.00 0.00 C ATOM 186 CD LYS A 13 8.481 -3.539 -0.607 1.00 0.00 C ATOM 187 CE LYS A 13 8.712 -3.578 -2.109 1.00 0.00 C ATOM 188 NZ LYS A 13 10.162 -3.623 -2.447 1.00 0.00 N ATOM 0 H LYS A 13 6.286 -1.503 1.972 1.00 0.00 H new ATOM 0 HA LYS A 13 4.704 -3.558 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.530 -3.153 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.988 -4.815 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.677 -4.697 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.415 -2.965 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.806 -2.576 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.090 -4.303 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.214 -4.451 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.259 -2.700 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.277 -3.649 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.633 -2.777 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.589 -4.474 -2.030 1.00 0.00 H new ATOM 202 N ASP A 14 5.303 -3.737 4.064 1.00 0.00 N ATOM 203 CA ASP A 14 4.930 -4.427 5.292 1.00 0.00 C ATOM 204 C ASP A 14 3.423 -4.357 5.507 1.00 0.00 C ATOM 205 O ASP A 14 2.785 -5.357 5.835 1.00 0.00 O ATOM 206 CB ASP A 14 5.658 -3.812 6.490 1.00 0.00 C ATOM 207 CG ASP A 14 6.973 -4.505 6.785 1.00 0.00 C ATOM 208 OD1 ASP A 14 8.033 -3.932 6.456 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.943 -5.621 7.346 1.00 0.00 O ATOM 0 H ASP A 14 5.854 -2.890 4.206 1.00 0.00 H new ATOM 0 HA ASP A 14 5.222 -5.473 5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.843 -2.755 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.016 -3.867 7.369 1.00 0.00 H new ATOM 214 N LEU A 15 2.861 -3.168 5.314 1.00 0.00 N ATOM 215 CA LEU A 15 1.428 -2.967 5.481 1.00 0.00 C ATOM 216 C LEU A 15 0.646 -3.810 4.482 1.00 0.00 C ATOM 217 O LEU A 15 -0.398 -4.374 4.811 1.00 0.00 O ATOM 218 CB LEU A 15 1.076 -1.488 5.307 1.00 0.00 C ATOM 219 CG LEU A 15 1.169 -0.646 6.580 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.993 0.830 6.258 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.131 -1.099 7.597 1.00 0.00 C ATOM 0 H LEU A 15 3.376 -2.331 5.042 1.00 0.00 H new ATOM 0 HA LEU A 15 1.154 -3.280 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.739 -1.058 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.062 -1.415 4.915 1.00 0.00 H new ATOM 0 HG LEU A 15 2.159 -0.787 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.062 1.413 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.774 1.147 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.017 0.989 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.212 -0.489 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.867 -0.989 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.303 -2.145 7.852 1.00 0.00 H new ATOM 233 N LEU A 16 1.163 -3.899 3.262 1.00 0.00 N ATOM 234 CA LEU A 16 0.520 -4.681 2.216 1.00 0.00 C ATOM 235 C LEU A 16 0.513 -6.158 2.586 1.00 0.00 C ATOM 236 O LEU A 16 -0.499 -6.842 2.437 1.00 0.00 O ATOM 237 CB LEU A 16 1.240 -4.474 0.883 1.00 0.00 C ATOM 238 CG LEU A 16 0.823 -3.218 0.110 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.034 -2.353 -0.215 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.076 -3.595 -1.164 1.00 0.00 C ATOM 0 H LEU A 16 2.026 -3.438 2.974 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.511 -4.343 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.313 -4.428 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.064 -5.346 0.253 1.00 0.00 H new ATOM 0 HG LEU A 16 0.152 -2.638 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.712 -1.468 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.523 -2.049 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.735 -2.923 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.212 -2.690 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.722 -4.201 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.818 -4.164 -0.907 1.00 0.00 H new ATOM 252 N THR A 17 1.647 -6.646 3.082 1.00 0.00 N ATOM 253 CA THR A 17 1.759 -8.041 3.484 1.00 0.00 C ATOM 254 C THR A 17 0.728 -8.361 4.557 1.00 0.00 C ATOM 255 O THR A 17 0.057 -9.392 4.506 1.00 0.00 O ATOM 256 CB THR A 17 3.169 -8.337 4.000 1.00 0.00 C ATOM 257 OG1 THR A 17 3.800 -7.150 4.445 1.00 0.00 O ATOM 258 CG2 THR A 17 4.066 -8.971 2.958 1.00 0.00 C ATOM 0 H THR A 17 2.497 -6.097 3.214 1.00 0.00 H new ATOM 0 HA THR A 17 1.569 -8.670 2.614 1.00 0.00 H new ATOM 0 HB THR A 17 3.035 -9.043 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.291 -6.769 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.050 -9.155 3.389 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.631 -9.915 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.163 -8.300 2.104 1.00 0.00 H new ATOM 266 N LYS A 18 0.599 -7.458 5.521 1.00 0.00 N ATOM 267 CA LYS A 18 -0.360 -7.627 6.604 1.00 0.00 C ATOM 268 C LYS A 18 -1.788 -7.512 6.078 1.00 0.00 C ATOM 269 O LYS A 18 -2.716 -8.095 6.639 1.00 0.00 O ATOM 270 CB LYS A 18 -0.120 -6.583 7.696 1.00 0.00 C ATOM 271 CG LYS A 18 0.868 -7.031 8.761 1.00 0.00 C ATOM 272 CD LYS A 18 0.806 -6.138 9.990 1.00 0.00 C ATOM 273 CE LYS A 18 2.191 -5.884 10.564 1.00 0.00 C ATOM 274 NZ LYS A 18 2.220 -4.672 11.430 1.00 0.00 N ATOM 0 H LYS A 18 1.148 -6.600 5.574 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.223 -8.621 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.247 -5.666 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.071 -6.343 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.654 -8.061 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.878 -7.017 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.340 -5.188 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.176 -6.604 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.509 -6.751 11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.905 -5.765 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.181 -4.534 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.941 -3.840 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.557 -4.795 12.222 1.00 0.00 H new ATOM 288 N ARG A 19 -1.956 -6.752 4.997 1.00 0.00 N ATOM 289 CA ARG A 19 -3.272 -6.558 4.397 1.00 0.00 C ATOM 290 C ARG A 19 -3.547 -7.587 3.299 1.00 0.00 C ATOM 291 O ARG A 19 -4.644 -7.632 2.742 1.00 0.00 O ATOM 292 CB ARG A 19 -3.379 -5.142 3.823 1.00 0.00 C ATOM 293 CG ARG A 19 -4.204 -4.197 4.682 1.00 0.00 C ATOM 294 CD ARG A 19 -3.319 -3.327 5.559 1.00 0.00 C ATOM 295 NE ARG A 19 -3.862 -1.980 5.722 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.831 -1.669 6.581 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.368 -2.605 7.354 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.263 -0.419 6.668 1.00 0.00 N ATOM 0 H ARG A 19 -1.198 -6.262 4.521 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.020 -6.694 5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.377 -4.730 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.821 -5.195 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.818 -3.564 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.885 -4.773 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.208 -3.794 6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.323 -3.265 5.121 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.476 -1.234 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.039 -3.568 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.110 -2.361 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.853 0.304 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.005 -0.181 7.326 1.00 0.00 H new ATOM 312 N ASN A 20 -2.549 -8.413 2.992 1.00 0.00 N ATOM 313 CA ASN A 20 -2.693 -9.439 1.962 1.00 0.00 C ATOM 314 C ASN A 20 -2.874 -8.808 0.583 1.00 0.00 C ATOM 315 O ASN A 20 -3.722 -9.237 -0.202 1.00 0.00 O ATOM 316 CB ASN A 20 -3.878 -10.354 2.285 1.00 0.00 C ATOM 317 CG ASN A 20 -3.494 -11.822 2.277 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.809 -12.552 1.338 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.810 -12.259 3.328 1.00 0.00 N ATOM 0 H ASN A 20 -1.633 -8.392 3.441 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.780 -10.035 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.280 -10.092 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.673 -10.185 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.524 -13.237 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.571 -11.617 4.084 1.00 0.00 H new ATOM 326 N LEU A 21 -2.071 -7.789 0.293 1.00 0.00 N ATOM 327 CA LEU A 21 -2.142 -7.102 -0.992 1.00 0.00 C ATOM 328 C LEU A 21 -0.896 -7.381 -1.828 1.00 0.00 C ATOM 329 O LEU A 21 0.100 -7.899 -1.322 1.00 0.00 O ATOM 330 CB LEU A 21 -2.302 -5.596 -0.780 1.00 0.00 C ATOM 331 CG LEU A 21 -3.638 -5.164 -0.174 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.590 -3.702 0.239 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.772 -5.406 -1.159 1.00 0.00 C ATOM 0 H LEU A 21 -1.364 -7.421 0.930 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.011 -7.480 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.498 -5.249 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.177 -5.094 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.822 -5.764 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.550 -3.413 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.804 -3.559 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.382 -3.084 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.715 -5.093 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.593 -4.832 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.821 -6.467 -1.404 1.00 0.00 H new ATOM 345 N SER A 22 -0.960 -7.037 -3.110 1.00 0.00 N ATOM 346 CA SER A 22 0.162 -7.251 -4.017 1.00 0.00 C ATOM 347 C SER A 22 1.234 -6.184 -3.818 1.00 0.00 C ATOM 348 O SER A 22 0.957 -4.988 -3.900 1.00 0.00 O ATOM 349 CB SER A 22 -0.320 -7.244 -5.469 1.00 0.00 C ATOM 350 OG SER A 22 -0.568 -8.560 -5.931 1.00 0.00 O ATOM 0 H SER A 22 -1.777 -6.609 -3.545 1.00 0.00 H new ATOM 0 HA SER A 22 0.599 -8.224 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.230 -6.649 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.429 -6.768 -6.102 1.00 0.00 H new ATOM 0 HG SER A 22 -0.876 -8.528 -6.861 1.00 0.00 H new ATOM 356 N VAL A 23 2.460 -6.626 -3.557 1.00 0.00 N ATOM 357 CA VAL A 23 3.575 -5.710 -3.347 1.00 0.00 C ATOM 358 C VAL A 23 4.518 -5.693 -4.548 1.00 0.00 C ATOM 359 O VAL A 23 5.670 -5.274 -4.435 1.00 0.00 O ATOM 360 CB VAL A 23 4.378 -6.083 -2.087 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.589 -5.747 -0.831 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.753 -7.558 -2.110 1.00 0.00 C ATOM 0 H VAL A 23 2.706 -7.613 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 23 3.143 -4.718 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 23 5.297 -5.497 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.173 -6.018 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.376 -4.678 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.652 -6.304 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.320 -7.803 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.847 -8.163 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.361 -7.765 -2.991 1.00 0.00 H new ATOM 372 N GLY A 24 4.027 -6.150 -5.696 1.00 0.00 N ATOM 373 CA GLY A 24 4.846 -6.177 -6.894 1.00 0.00 C ATOM 374 C GLY A 24 4.861 -4.847 -7.623 1.00 0.00 C ATOM 375 O GLY A 24 5.828 -4.521 -8.312 1.00 0.00 O ATOM 0 H GLY A 24 3.077 -6.502 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.866 -6.451 -6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.474 -6.951 -7.566 1.00 0.00 H new ATOM 379 N GLY A 25 3.788 -4.078 -7.473 1.00 0.00 N ATOM 380 CA GLY A 25 3.703 -2.787 -8.131 1.00 0.00 C ATOM 381 C GLY A 25 4.657 -1.767 -7.540 1.00 0.00 C ATOM 382 O GLY A 25 5.209 -1.976 -6.459 1.00 0.00 O ATOM 0 H GLY A 25 2.976 -4.325 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.920 -2.909 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.683 -2.411 -8.055 1.00 0.00 H new ATOM 386 N LEU A 26 4.852 -0.660 -8.251 1.00 0.00 N ATOM 387 CA LEU A 26 5.745 0.398 -7.791 1.00 0.00 C ATOM 388 C LEU A 26 5.178 1.087 -6.555 1.00 0.00 C ATOM 389 O LEU A 26 4.029 0.859 -6.179 1.00 0.00 O ATOM 390 CB LEU A 26 5.969 1.424 -8.903 1.00 0.00 C ATOM 391 CG LEU A 26 6.828 0.937 -10.071 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.360 1.563 -11.376 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.295 1.254 -9.822 1.00 0.00 C ATOM 0 H LEU A 26 4.404 -0.473 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 26 6.700 -0.055 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.999 1.735 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.438 2.308 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 26 6.719 -0.145 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.983 1.205 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.322 1.286 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.439 2.648 -11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.891 0.900 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.421 2.331 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.625 0.758 -8.909 1.00 0.00 H new ATOM 405 N LYS A 27 5.992 1.931 -5.925 1.00 0.00 N ATOM 406 CA LYS A 27 5.571 2.655 -4.727 1.00 0.00 C ATOM 407 C LYS A 27 4.201 3.297 -4.924 1.00 0.00 C ATOM 408 O LYS A 27 3.341 3.231 -4.045 1.00 0.00 O ATOM 409 CB LYS A 27 6.602 3.725 -4.365 1.00 0.00 C ATOM 410 CG LYS A 27 6.744 3.952 -2.869 1.00 0.00 C ATOM 411 CD LYS A 27 7.133 5.388 -2.557 1.00 0.00 C ATOM 412 CE LYS A 27 7.657 5.528 -1.138 1.00 0.00 C ATOM 413 NZ LYS A 27 7.923 6.949 -0.781 1.00 0.00 N ATOM 0 H LYS A 27 6.947 2.131 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 27 5.497 1.937 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.571 3.437 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.321 4.664 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.803 3.713 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.497 3.275 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.895 5.721 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.268 6.038 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.932 5.108 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.574 4.949 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.279 7.001 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.634 7.343 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.042 7.497 -0.858 1.00 0.00 H new ATOM 427 N ASN A 28 4.004 3.915 -6.083 1.00 0.00 N ATOM 428 CA ASN A 28 2.736 4.565 -6.395 1.00 0.00 C ATOM 429 C ASN A 28 1.614 3.536 -6.497 1.00 0.00 C ATOM 430 O ASN A 28 0.469 3.811 -6.134 1.00 0.00 O ATOM 431 CB ASN A 28 2.847 5.348 -7.704 1.00 0.00 C ATOM 432 CG ASN A 28 1.831 6.469 -7.795 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.105 7.604 -7.404 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.649 6.156 -8.313 1.00 0.00 N ATOM 0 H ASN A 28 4.705 3.980 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 28 2.501 5.258 -5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.851 5.763 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.709 4.667 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.075 6.869 -8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.465 5.202 -8.624 1.00 0.00 H new ATOM 441 N GLU A 29 1.955 2.347 -6.984 1.00 0.00 N ATOM 442 CA GLU A 29 0.981 1.273 -7.127 1.00 0.00 C ATOM 443 C GLU A 29 0.571 0.751 -5.758 1.00 0.00 C ATOM 444 O GLU A 29 -0.587 0.399 -5.532 1.00 0.00 O ATOM 445 CB GLU A 29 1.562 0.136 -7.968 1.00 0.00 C ATOM 446 CG GLU A 29 1.255 0.259 -9.453 1.00 0.00 C ATOM 447 CD GLU A 29 -0.024 -0.455 -9.845 1.00 0.00 C ATOM 448 OE1 GLU A 29 -0.226 -1.602 -9.394 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.823 0.133 -10.602 1.00 0.00 O ATOM 0 H GLU A 29 2.898 2.104 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 29 0.100 1.668 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.643 0.109 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.170 -0.813 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.174 1.313 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.086 -0.151 -10.027 1.00 0.00 H new ATOM 456 N LEU A 30 1.535 0.710 -4.847 1.00 0.00 N ATOM 457 CA LEU A 30 1.291 0.239 -3.493 1.00 0.00 C ATOM 458 C LEU A 30 0.401 1.215 -2.732 1.00 0.00 C ATOM 459 O LEU A 30 -0.520 0.809 -2.023 1.00 0.00 O ATOM 460 CB LEU A 30 2.617 0.058 -2.754 1.00 0.00 C ATOM 461 CG LEU A 30 3.641 -0.830 -3.462 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.977 -0.788 -2.736 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.132 -2.259 -3.561 1.00 0.00 C ATOM 0 H LEU A 30 2.497 0.999 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 30 0.779 -0.721 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.062 1.040 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.412 -0.365 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 30 3.787 -0.447 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.693 -1.426 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.350 0.236 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.847 -1.144 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.874 -2.875 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.956 -2.653 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.200 -2.275 -4.126 1.00 0.00 H new ATOM 475 N VAL A 31 0.682 2.505 -2.886 1.00 0.00 N ATOM 476 CA VAL A 31 -0.094 3.539 -2.214 1.00 0.00 C ATOM 477 C VAL A 31 -1.541 3.526 -2.685 1.00 0.00 C ATOM 478 O VAL A 31 -2.469 3.548 -1.876 1.00 0.00 O ATOM 479 CB VAL A 31 0.503 4.939 -2.458 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.232 5.985 -1.632 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.991 4.950 -2.142 1.00 0.00 C ATOM 0 H VAL A 31 1.440 2.858 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.058 3.321 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 31 0.378 5.187 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.203 6.967 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.285 5.996 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.141 5.742 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.394 5.947 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.143 4.679 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.504 4.232 -2.781 1.00 0.00 H new ATOM 491 N GLN A 32 -1.726 3.487 -3.997 1.00 0.00 N ATOM 492 CA GLN A 32 -3.063 3.466 -4.579 1.00 0.00 C ATOM 493 C GLN A 32 -3.806 2.194 -4.188 1.00 0.00 C ATOM 494 O GLN A 32 -5.018 2.215 -3.971 1.00 0.00 O ATOM 495 CB GLN A 32 -2.983 3.579 -6.103 1.00 0.00 C ATOM 496 CG GLN A 32 -2.302 2.395 -6.765 1.00 0.00 C ATOM 497 CD GLN A 32 -2.346 2.470 -8.279 1.00 0.00 C ATOM 498 OE1 GLN A 32 -1.343 2.765 -8.928 1.00 0.00 O ATOM 499 NE2 GLN A 32 -3.516 2.203 -8.850 1.00 0.00 N ATOM 0 H GLN A 32 -0.968 3.469 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.615 4.321 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.991 3.679 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.444 4.490 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.264 2.348 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.782 1.473 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.322 1.963 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.608 2.238 -9.865 1.00 0.00 H new ATOM 508 N ARG A 33 -3.075 1.086 -4.098 1.00 0.00 N ATOM 509 CA ARG A 33 -3.677 -0.190 -3.728 1.00 0.00 C ATOM 510 C ARG A 33 -4.251 -0.119 -2.318 1.00 0.00 C ATOM 511 O ARG A 33 -5.379 -0.544 -2.074 1.00 0.00 O ATOM 512 CB ARG A 33 -2.644 -1.314 -3.819 1.00 0.00 C ATOM 513 CG ARG A 33 -3.255 -2.683 -4.073 1.00 0.00 C ATOM 514 CD ARG A 33 -2.416 -3.496 -5.047 1.00 0.00 C ATOM 515 NE ARG A 33 -2.686 -3.134 -6.436 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.042 -3.656 -7.477 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.090 -4.563 -7.291 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.350 -3.272 -8.709 1.00 0.00 N ATOM 0 H ARG A 33 -2.071 1.046 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.488 -0.402 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.940 -1.085 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.072 -1.347 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.345 -3.223 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.263 -2.565 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.359 -3.342 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.619 -4.557 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.411 -2.440 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.849 -4.863 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.600 -4.960 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.081 -2.576 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.856 -3.672 -9.507 1.00 0.00 H new ATOM 532 N LEU A 34 -3.473 0.441 -1.398 1.00 0.00 N ATOM 533 CA LEU A 34 -3.913 0.588 -0.017 1.00 0.00 C ATOM 534 C LEU A 34 -5.057 1.590 0.059 1.00 0.00 C ATOM 535 O LEU A 34 -5.994 1.431 0.841 1.00 0.00 O ATOM 536 CB LEU A 34 -2.753 1.046 0.869 1.00 0.00 C ATOM 537 CG LEU A 34 -1.768 -0.056 1.265 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.372 0.519 1.448 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.231 -0.752 2.535 1.00 0.00 C ATOM 0 H LEU A 34 -2.536 0.800 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.262 -0.380 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.206 1.832 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.162 1.490 1.776 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.733 -0.793 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.316 -0.278 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.040 0.972 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.390 1.276 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.519 -1.533 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.294 -0.026 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.212 -1.197 2.369 1.00 0.00 H new ATOM 551 N ILE A 35 -4.968 2.624 -0.771 1.00 0.00 N ATOM 552 CA ILE A 35 -5.985 3.664 -0.825 1.00 0.00 C ATOM 553 C ILE A 35 -7.308 3.103 -1.341 1.00 0.00 C ATOM 554 O ILE A 35 -8.374 3.408 -0.805 1.00 0.00 O ATOM 555 CB ILE A 35 -5.526 4.834 -1.727 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.342 5.560 -1.088 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.669 5.805 -1.991 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.464 6.282 -2.087 1.00 0.00 C ATOM 0 H ILE A 35 -4.194 2.763 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.133 4.037 0.188 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.210 4.422 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.717 6.279 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.737 4.838 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.317 6.617 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.484 5.280 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.025 6.214 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.645 6.774 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.059 5.565 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.055 7.028 -2.618 1.00 0.00 H new ATOM 570 N LYS A 36 -7.231 2.285 -2.385 1.00 0.00 N ATOM 571 CA LYS A 36 -8.422 1.682 -2.972 1.00 0.00 C ATOM 572 C LYS A 36 -9.080 0.713 -1.994 1.00 0.00 C ATOM 573 O LYS A 36 -10.295 0.735 -1.806 1.00 0.00 O ATOM 574 CB LYS A 36 -8.065 0.954 -4.269 1.00 0.00 C ATOM 575 CG LYS A 36 -7.956 1.875 -5.473 1.00 0.00 C ATOM 576 CD LYS A 36 -7.497 1.121 -6.710 1.00 0.00 C ATOM 577 CE LYS A 36 -8.186 1.636 -7.963 1.00 0.00 C ATOM 578 NZ LYS A 36 -7.659 0.984 -9.195 1.00 0.00 N ATOM 0 H LYS A 36 -6.357 2.024 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.130 2.480 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.118 0.432 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.821 0.195 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.923 2.339 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.254 2.680 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.417 1.222 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.707 0.058 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.258 1.456 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.048 2.715 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.155 1.363 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.641 1.177 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.813 -0.043 -9.138 1.00 0.00 H new ATOM 592 N ASP A 37 -8.267 -0.137 -1.376 1.00 0.00 N ATOM 593 CA ASP A 37 -8.769 -1.114 -0.417 1.00 0.00 C ATOM 594 C ASP A 37 -9.408 -0.423 0.783 1.00 0.00 C ATOM 595 O ASP A 37 -10.434 -0.869 1.296 1.00 0.00 O ATOM 596 CB ASP A 37 -7.635 -2.029 0.052 1.00 0.00 C ATOM 597 CG ASP A 37 -8.148 -3.277 0.744 1.00 0.00 C ATOM 598 OD1 ASP A 37 -9.144 -3.856 0.263 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.553 -3.675 1.767 1.00 0.00 O ATOM 0 H ASP A 37 -7.258 -0.169 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.530 -1.714 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.026 -2.316 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.987 -1.479 0.734 1.00 0.00 H new ATOM 604 N ASP A 38 -8.795 0.670 1.225 1.00 0.00 N ATOM 605 CA ASP A 38 -9.304 1.423 2.366 1.00 0.00 C ATOM 606 C ASP A 38 -10.590 2.158 2.001 1.00 0.00 C ATOM 607 O ASP A 38 -11.534 2.207 2.789 1.00 0.00 O ATOM 608 CB ASP A 38 -8.252 2.422 2.855 1.00 0.00 C ATOM 609 CG ASP A 38 -7.397 1.857 3.972 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.723 0.830 3.744 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.401 2.441 5.077 1.00 0.00 O ATOM 0 H ASP A 38 -7.946 1.054 0.811 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.524 0.718 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.612 2.710 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.748 3.328 3.203 1.00 0.00 H new ATOM 616 N GLU A 39 -10.617 2.727 0.803 1.00 0.00 N ATOM 617 CA GLU A 39 -11.785 3.461 0.331 1.00 0.00 C ATOM 618 C GLU A 39 -12.941 2.512 0.035 1.00 0.00 C ATOM 619 O GLU A 39 -14.102 2.831 0.292 1.00 0.00 O ATOM 620 CB GLU A 39 -11.436 4.265 -0.923 1.00 0.00 C ATOM 621 CG GLU A 39 -10.940 5.670 -0.626 1.00 0.00 C ATOM 622 CD GLU A 39 -10.367 6.358 -1.849 1.00 0.00 C ATOM 623 OE1 GLU A 39 -9.356 7.078 -1.706 1.00 0.00 O ATOM 624 OE2 GLU A 39 -10.927 6.176 -2.950 1.00 0.00 O ATOM 0 H GLU A 39 -9.843 2.695 0.139 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.095 4.147 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.671 3.730 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.317 4.327 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.763 6.266 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.177 5.625 0.151 1.00 0.00 H new ATOM 631 N GLU A 40 -12.615 1.343 -0.506 1.00 0.00 N ATOM 632 CA GLU A 40 -13.625 0.346 -0.837 1.00 0.00 C ATOM 633 C GLU A 40 -14.278 -0.206 0.426 1.00 0.00 C ATOM 634 O GLU A 40 -15.485 -0.447 0.460 1.00 0.00 O ATOM 635 CB GLU A 40 -13.002 -0.794 -1.646 1.00 0.00 C ATOM 636 CG GLU A 40 -13.149 -0.623 -3.149 1.00 0.00 C ATOM 637 CD GLU A 40 -12.455 -1.722 -3.931 1.00 0.00 C ATOM 638 OE1 GLU A 40 -12.312 -2.838 -3.388 1.00 0.00 O ATOM 639 OE2 GLU A 40 -12.056 -1.467 -5.087 1.00 0.00 O ATOM 0 H GLU A 40 -11.659 1.063 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.394 0.830 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.943 -0.868 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.465 -1.735 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.208 -0.611 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.738 0.343 -3.443 1.00 0.00 H new ATOM 646 N SER A 41 -13.470 -0.405 1.461 1.00 0.00 N ATOM 647 CA SER A 41 -13.965 -0.930 2.728 1.00 0.00 C ATOM 648 C SER A 41 -14.865 0.087 3.424 1.00 0.00 C ATOM 649 O SER A 41 -15.818 -0.281 4.110 1.00 0.00 O ATOM 650 CB SER A 41 -12.795 -1.302 3.641 1.00 0.00 C ATOM 651 OG SER A 41 -13.174 -2.296 4.578 1.00 0.00 O ATOM 0 H SER A 41 -12.469 -0.211 1.448 1.00 0.00 H new ATOM 0 HA SER A 41 -14.552 -1.824 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.961 -1.664 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.445 -0.415 4.169 1.00 0.00 H new ATOM 0 HG SER A 41 -12.408 -2.517 5.148 1.00 0.00 H new ATOM 657 N LYS A 42 -14.555 1.366 3.242 1.00 0.00 N ATOM 658 CA LYS A 42 -15.336 2.436 3.853 1.00 0.00 C ATOM 659 C LYS A 42 -16.634 2.676 3.086 1.00 0.00 C ATOM 660 O LYS A 42 -17.588 3.236 3.626 1.00 0.00 O ATOM 661 CB LYS A 42 -14.516 3.726 3.907 1.00 0.00 C ATOM 662 CG LYS A 42 -14.769 4.556 5.155 1.00 0.00 C ATOM 663 CD LYS A 42 -13.891 5.797 5.187 1.00 0.00 C ATOM 664 CE LYS A 42 -14.647 7.027 4.713 1.00 0.00 C ATOM 665 NZ LYS A 42 -13.906 8.284 5.011 1.00 0.00 N ATOM 0 H LYS A 42 -13.769 1.687 2.677 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.589 2.130 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.456 3.476 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.744 4.329 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.818 4.850 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.577 3.951 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.528 5.961 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.016 5.641 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.822 6.954 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.625 7.060 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.455 9.099 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.761 8.367 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.983 8.265 4.532 1.00 0.00 H new ATOM 679 N GLY A 43 -16.666 2.251 1.826 1.00 0.00 N ATOM 680 CA GLY A 43 -17.853 2.432 1.013 1.00 0.00 C ATOM 681 C GLY A 43 -17.533 2.949 -0.375 1.00 0.00 C ATOM 682 O GLY A 43 -16.466 2.664 -0.921 1.00 0.00 O ATOM 0 H GLY A 43 -15.891 1.785 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -18.381 1.482 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -18.527 3.129 1.510 1.00 0.00 H new ATOM 686 N GLU A 44 -18.458 3.711 -0.949 1.00 0.00 N ATOM 687 CA GLU A 44 -18.271 4.269 -2.283 1.00 0.00 C ATOM 688 C GLU A 44 -17.888 5.744 -2.207 1.00 0.00 C ATOM 689 O GLU A 44 -18.327 6.463 -1.309 1.00 0.00 O ATOM 690 CB GLU A 44 -19.545 4.103 -3.114 1.00 0.00 C ATOM 691 CG GLU A 44 -19.588 2.808 -3.909 1.00 0.00 C ATOM 692 CD GLU A 44 -20.626 2.838 -5.014 1.00 0.00 C ATOM 693 OE1 GLU A 44 -20.691 3.853 -5.739 1.00 0.00 O ATOM 694 OE2 GLU A 44 -21.372 1.847 -5.155 1.00 0.00 O ATOM 0 H GLU A 44 -19.346 3.956 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.459 3.725 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.409 4.141 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.633 4.945 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.606 2.619 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.804 1.979 -3.235 1.00 0.00 H new ATOM 701 N SER A 45 -17.068 6.187 -3.154 1.00 0.00 N ATOM 702 CA SER A 45 -16.626 7.576 -3.193 1.00 0.00 C ATOM 703 C SER A 45 -16.197 7.970 -4.603 1.00 0.00 C ATOM 704 O SER A 45 -15.257 7.402 -5.158 1.00 0.00 O ATOM 705 CB SER A 45 -15.469 7.793 -2.216 1.00 0.00 C ATOM 706 OG SER A 45 -15.942 8.249 -0.960 1.00 0.00 O ATOM 0 H SER A 45 -16.696 5.605 -3.904 1.00 0.00 H new ATOM 0 HA SER A 45 -17.464 8.207 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.920 6.861 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.770 8.519 -2.631 1.00 0.00 H new ATOM 0 HG SER A 45 -16.804 7.826 -0.762 1.00 0.00 H new ATOM 712 N GLU A 46 -16.891 8.948 -5.176 1.00 0.00 N ATOM 713 CA GLU A 46 -16.582 9.419 -6.521 1.00 0.00 C ATOM 714 C GLU A 46 -15.866 10.765 -6.474 1.00 0.00 C ATOM 715 O GLU A 46 -15.018 11.057 -7.317 1.00 0.00 O ATOM 716 CB GLU A 46 -17.861 9.537 -7.350 1.00 0.00 C ATOM 717 CG GLU A 46 -17.653 9.270 -8.832 1.00 0.00 C ATOM 718 CD GLU A 46 -18.616 10.051 -9.706 1.00 0.00 C ATOM 719 OE1 GLU A 46 -19.662 9.484 -10.089 1.00 0.00 O ATOM 720 OE2 GLU A 46 -18.324 11.227 -10.008 1.00 0.00 O ATOM 0 H GLU A 46 -17.671 9.430 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.920 8.691 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -18.600 8.836 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.274 10.538 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.630 9.529 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.775 8.204 -9.026 1.00 0.00 H new ATOM 727 N VAL A 47 -16.214 11.580 -5.484 1.00 0.00 N ATOM 728 CA VAL A 47 -15.605 12.895 -5.325 1.00 0.00 C ATOM 729 C VAL A 47 -14.839 12.992 -4.011 1.00 0.00 C ATOM 730 O VAL A 47 -15.305 12.523 -2.973 1.00 0.00 O ATOM 731 CB VAL A 47 -16.663 14.013 -5.372 1.00 0.00 C ATOM 732 CG1 VAL A 47 -17.249 14.138 -6.770 1.00 0.00 C ATOM 733 CG2 VAL A 47 -17.759 13.753 -4.348 1.00 0.00 C ATOM 0 H VAL A 47 -16.915 11.353 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.912 13.024 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.178 14.957 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.994 14.933 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.454 14.374 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -17.719 13.196 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.498 14.553 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.241 12.800 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -17.323 13.720 -3.349 1.00 0.00 H new ATOM 743 N SER A 48 -13.661 13.605 -4.061 1.00 0.00 N ATOM 744 CA SER A 48 -12.831 13.764 -2.873 1.00 0.00 C ATOM 745 C SER A 48 -13.215 15.028 -2.106 1.00 0.00 C ATOM 746 O SER A 48 -13.480 14.976 -0.904 1.00 0.00 O ATOM 747 CB SER A 48 -11.351 13.814 -3.260 1.00 0.00 C ATOM 748 OG SER A 48 -10.582 12.943 -2.450 1.00 0.00 O ATOM 0 H SER A 48 -13.260 14.000 -4.912 1.00 0.00 H new ATOM 0 HA SER A 48 -12.999 12.904 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.236 13.537 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.979 14.834 -3.158 1.00 0.00 H new ATOM 0 HG SER A 48 -9.641 12.992 -2.719 1.00 0.00 H new ATOM 754 N PRO A 49 -13.252 16.184 -2.791 1.00 0.00 N ATOM 755 CA PRO A 49 -13.606 17.462 -2.164 1.00 0.00 C ATOM 756 C PRO A 49 -14.928 17.385 -1.406 1.00 0.00 C ATOM 757 O PRO A 49 -15.878 16.746 -1.858 1.00 0.00 O ATOM 758 CB PRO A 49 -13.727 18.421 -3.350 1.00 0.00 C ATOM 759 CG PRO A 49 -12.862 17.828 -4.407 1.00 0.00 C ATOM 760 CD PRO A 49 -12.951 16.338 -4.227 1.00 0.00 C ATOM 0 HA PRO A 49 -12.868 17.771 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.760 18.506 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.395 19.424 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.202 18.122 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.833 18.172 -4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.733 15.904 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.018 15.844 -4.497 1.00 0.00 H new ATOM 768 N GLN A 50 -14.981 18.041 -0.251 1.00 0.00 N ATOM 769 CA GLN A 50 -16.186 18.048 0.569 1.00 0.00 C ATOM 770 C GLN A 50 -16.417 19.423 1.187 1.00 0.00 C ATOM 771 O GLN A 50 -17.474 20.025 0.910 1.00 0.00 O ATOM 772 CB GLN A 50 -16.085 16.991 1.670 1.00 0.00 C ATOM 773 CG GLN A 50 -16.618 15.628 1.257 1.00 0.00 C ATOM 774 CD GLN A 50 -17.811 15.192 2.085 1.00 0.00 C ATOM 775 OE1 GLN A 50 -17.689 14.932 3.281 1.00 0.00 O ATOM 776 NE2 GLN A 50 -18.973 15.109 1.449 1.00 0.00 N ATOM 777 OXT GLN A 50 -15.537 19.885 1.944 1.00 0.00 O ATOM 0 H GLN A 50 -14.203 18.574 0.138 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.034 17.813 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.042 16.888 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.635 17.337 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.902 15.657 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -15.824 14.887 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -19.028 15.334 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.811 14.820 1.954 1.00 0.00 H new TER 786 GLN A 50