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 180:sc= 0.326 USER MOD Set 1.2: A 11 GLN : amide:sc= -1.83! C(o=-1.5!,f=-8.8!) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.0714 (180deg=-0.0987) USER MOD Single : A 1 SER OG : rot -33:sc= 0.351 USER MOD Single : A 4 TYR OH : rot 77:sc= 0.457 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.14 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=0.052) 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= -1.99 K(o=-2,f=-0.6) USER MOD Single : A 32 GLN : amide:sc= -0.0882 X(o=-0.088,f=-0.47) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 100:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 29:sc= 0.037 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 -6.376 6.292 2.916 1.00 0.00 N ATOM 2 CA SER A 1 -5.599 7.494 3.321 1.00 0.00 C ATOM 3 C SER A 1 -4.397 7.707 2.408 1.00 0.00 C ATOM 4 O SER A 1 -3.991 6.803 1.679 1.00 0.00 O ATOM 5 CB SER A 1 -5.137 7.310 4.768 1.00 0.00 C ATOM 6 OG SER A 1 -4.030 6.429 4.843 1.00 0.00 O ATOM 0 H1 SER A 1 -7.327 6.580 2.610 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.890 5.813 2.131 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.455 5.641 3.723 1.00 0.00 H new ATOM 0 HA SER A 1 -6.234 8.376 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.865 8.277 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.958 6.918 5.368 1.00 0.00 H new ATOM 0 HG SER A 1 -4.107 5.746 4.144 1.00 0.00 H new ATOM 14 N ALA A 2 -3.831 8.909 2.453 1.00 0.00 N ATOM 15 CA ALA A 2 -2.675 9.241 1.630 1.00 0.00 C ATOM 16 C ALA A 2 -1.367 9.064 2.400 1.00 0.00 C ATOM 17 O ALA A 2 -0.283 9.173 1.828 1.00 0.00 O ATOM 18 CB ALA A 2 -2.792 10.667 1.111 1.00 0.00 C ATOM 0 H ALA A 2 -4.155 9.669 3.051 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.659 8.552 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.923 10.903 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.697 10.763 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.841 11.358 1.953 1.00 0.00 H new ATOM 24 N ASP A 3 -1.472 8.791 3.699 1.00 0.00 N ATOM 25 CA ASP A 3 -0.293 8.603 4.539 1.00 0.00 C ATOM 26 C ASP A 3 0.613 7.506 3.983 1.00 0.00 C ATOM 27 O ASP A 3 1.815 7.490 4.246 1.00 0.00 O ATOM 28 CB ASP A 3 -0.713 8.254 5.968 1.00 0.00 C ATOM 29 CG ASP A 3 -1.128 9.477 6.763 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.343 9.917 7.628 1.00 0.00 O ATOM 31 OD2 ASP A 3 -2.239 9.994 6.520 1.00 0.00 O ATOM 0 H ASP A 3 -2.360 8.695 4.191 1.00 0.00 H new ATOM 0 HA ASP A 3 0.267 9.538 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.541 7.545 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.114 7.757 6.476 1.00 0.00 H new ATOM 36 N TYR A 4 0.029 6.591 3.212 1.00 0.00 N ATOM 37 CA TYR A 4 0.786 5.491 2.621 1.00 0.00 C ATOM 38 C TYR A 4 1.968 6.015 1.809 1.00 0.00 C ATOM 39 O TYR A 4 3.096 5.546 1.965 1.00 0.00 O ATOM 40 CB TYR A 4 -0.123 4.641 1.731 1.00 0.00 C ATOM 41 CG TYR A 4 -1.304 4.047 2.463 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.605 4.335 2.072 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.118 3.198 3.548 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.687 3.795 2.740 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.194 2.654 4.221 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.477 2.956 3.814 1.00 0.00 C ATOM 47 OH TYR A 4 -4.552 2.415 4.481 1.00 0.00 O ATOM 0 H TYR A 4 -0.965 6.590 2.982 1.00 0.00 H new ATOM 0 HA TYR A 4 1.173 4.873 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.488 5.255 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.464 3.835 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.774 4.992 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.115 2.960 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.692 4.029 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.032 1.996 5.062 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.926 1.678 3.955 1.00 0.00 H new ATOM 57 N SER A 5 1.702 6.987 0.943 1.00 0.00 N ATOM 58 CA SER A 5 2.744 7.574 0.109 1.00 0.00 C ATOM 59 C SER A 5 3.855 8.178 0.963 1.00 0.00 C ATOM 60 O SER A 5 4.991 8.323 0.508 1.00 0.00 O ATOM 61 CB SER A 5 2.150 8.646 -0.808 1.00 0.00 C ATOM 62 OG SER A 5 2.812 8.670 -2.060 1.00 0.00 O ATOM 0 H SER A 5 0.774 7.385 0.800 1.00 0.00 H new ATOM 0 HA SER A 5 3.173 6.779 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.088 8.452 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.232 9.623 -0.331 1.00 0.00 H new ATOM 0 HG SER A 5 2.413 9.362 -2.628 1.00 0.00 H new ATOM 68 N SER A 6 3.523 8.532 2.201 1.00 0.00 N ATOM 69 CA SER A 6 4.494 9.123 3.114 1.00 0.00 C ATOM 70 C SER A 6 5.416 8.059 3.706 1.00 0.00 C ATOM 71 O SER A 6 6.511 8.368 4.175 1.00 0.00 O ATOM 72 CB SER A 6 3.775 9.871 4.239 1.00 0.00 C ATOM 73 OG SER A 6 4.463 11.061 4.581 1.00 0.00 O ATOM 0 H SER A 6 2.589 8.420 2.594 1.00 0.00 H new ATOM 0 HA SER A 6 5.103 9.825 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.758 10.112 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.697 9.228 5.116 1.00 0.00 H new ATOM 0 HG SER A 6 3.983 11.521 5.301 1.00 0.00 H new ATOM 79 N LEU A 7 4.970 6.806 3.681 1.00 0.00 N ATOM 80 CA LEU A 7 5.764 5.705 4.216 1.00 0.00 C ATOM 81 C LEU A 7 6.784 5.220 3.192 1.00 0.00 C ATOM 82 O LEU A 7 6.617 5.424 1.989 1.00 0.00 O ATOM 83 CB LEU A 7 4.859 4.543 4.638 1.00 0.00 C ATOM 84 CG LEU A 7 3.527 4.951 5.272 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.633 3.736 5.461 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.764 5.653 6.601 1.00 0.00 C ATOM 0 H LEU A 7 4.066 6.529 3.297 1.00 0.00 H new ATOM 0 HA LEU A 7 6.298 6.074 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.653 3.928 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.404 3.918 5.346 1.00 0.00 H new ATOM 0 HG LEU A 7 3.023 5.646 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.690 4.045 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.437 3.274 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.129 3.017 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.807 5.937 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.288 4.980 7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.367 6.546 6.438 1.00 0.00 H new ATOM 98 N THR A 8 7.838 4.575 3.677 1.00 0.00 N ATOM 99 CA THR A 8 8.886 4.055 2.806 1.00 0.00 C ATOM 100 C THR A 8 8.404 2.814 2.065 1.00 0.00 C ATOM 101 O THR A 8 7.342 2.273 2.369 1.00 0.00 O ATOM 102 CB THR A 8 10.134 3.712 3.623 1.00 0.00 C ATOM 103 OG1 THR A 8 9.967 2.474 4.293 1.00 0.00 O ATOM 104 CG2 THR A 8 10.477 4.757 4.664 1.00 0.00 C ATOM 0 H THR A 8 7.990 4.399 4.670 1.00 0.00 H new ATOM 0 HA THR A 8 9.134 4.826 2.077 1.00 0.00 H new ATOM 0 HB THR A 8 10.949 3.665 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.775 2.270 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.372 4.451 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.660 5.713 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.647 4.861 5.363 1.00 0.00 H new ATOM 112 N VAL A 9 9.195 2.362 1.097 1.00 0.00 N ATOM 113 CA VAL A 9 8.844 1.178 0.327 1.00 0.00 C ATOM 114 C VAL A 9 8.744 -0.039 1.237 1.00 0.00 C ATOM 115 O VAL A 9 7.819 -0.843 1.119 1.00 0.00 O ATOM 116 CB VAL A 9 9.875 0.898 -0.784 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.424 -0.264 -1.656 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.104 2.145 -1.623 1.00 0.00 C ATOM 0 H VAL A 9 10.078 2.796 0.829 1.00 0.00 H new ATOM 0 HA VAL A 9 7.877 1.370 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 9 10.820 0.622 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.166 -0.445 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.316 -1.159 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.466 -0.022 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.835 1.930 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.164 2.453 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.478 2.948 -0.987 1.00 0.00 H new ATOM 128 N VAL A 10 9.697 -0.160 2.156 1.00 0.00 N ATOM 129 CA VAL A 10 9.709 -1.268 3.098 1.00 0.00 C ATOM 130 C VAL A 10 8.501 -1.194 4.022 1.00 0.00 C ATOM 131 O VAL A 10 7.890 -2.212 4.348 1.00 0.00 O ATOM 132 CB VAL A 10 10.994 -1.277 3.947 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.069 -2.539 4.790 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.221 -1.146 3.058 1.00 0.00 C ATOM 0 H VAL A 10 10.470 0.497 2.266 1.00 0.00 H new ATOM 0 HA VAL A 10 9.672 -2.188 2.514 1.00 0.00 H new ATOM 0 HB VAL A 10 10.969 -0.421 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.984 -2.527 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.206 -2.584 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.071 -3.413 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.120 -1.154 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.254 -1.981 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.170 -0.209 2.503 1.00 0.00 H new ATOM 144 N GLN A 11 8.154 0.023 4.432 1.00 0.00 N ATOM 145 CA GLN A 11 7.010 0.234 5.309 1.00 0.00 C ATOM 146 C GLN A 11 5.716 -0.111 4.581 1.00 0.00 C ATOM 147 O GLN A 11 4.860 -0.818 5.115 1.00 0.00 O ATOM 148 CB GLN A 11 6.970 1.685 5.793 1.00 0.00 C ATOM 149 CG GLN A 11 7.651 1.897 7.135 1.00 0.00 C ATOM 150 CD GLN A 11 7.887 3.363 7.443 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.183 4.157 6.550 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.757 3.729 8.713 1.00 0.00 N ATOM 0 H GLN A 11 8.649 0.876 4.171 1.00 0.00 H new ATOM 0 HA GLN A 11 7.112 -0.421 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.448 2.321 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.931 2.006 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.039 1.458 7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.605 1.370 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.510 3.037 9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.904 4.702 8.981 1.00 0.00 H new ATOM 161 N LEU A 12 5.584 0.387 3.356 1.00 0.00 N ATOM 162 CA LEU A 12 4.401 0.126 2.549 1.00 0.00 C ATOM 163 C LEU A 12 4.259 -1.366 2.272 1.00 0.00 C ATOM 164 O LEU A 12 3.152 -1.903 2.254 1.00 0.00 O ATOM 165 CB LEU A 12 4.479 0.896 1.230 1.00 0.00 C ATOM 166 CG LEU A 12 3.946 2.328 1.284 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.336 3.091 0.028 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.436 2.326 1.462 1.00 0.00 C ATOM 0 H LEU A 12 6.283 0.974 2.901 1.00 0.00 H new ATOM 0 HA LEU A 12 3.526 0.462 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.519 0.924 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.922 0.345 0.472 1.00 0.00 H new ATOM 0 HG LEU A 12 4.393 2.831 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.948 4.108 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.422 3.121 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.918 2.591 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.073 3.353 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.972 1.806 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.180 1.817 2.391 1.00 0.00 H new ATOM 180 N LYS A 13 5.391 -2.030 2.057 1.00 0.00 N ATOM 181 CA LYS A 13 5.395 -3.462 1.782 1.00 0.00 C ATOM 182 C LYS A 13 4.908 -4.246 2.995 1.00 0.00 C ATOM 183 O LYS A 13 4.129 -5.190 2.865 1.00 0.00 O ATOM 184 CB LYS A 13 6.800 -3.923 1.386 1.00 0.00 C ATOM 185 CG LYS A 13 6.825 -4.797 0.141 1.00 0.00 C ATOM 186 CD LYS A 13 7.425 -4.062 -1.049 1.00 0.00 C ATOM 187 CE LYS A 13 8.721 -4.710 -1.511 1.00 0.00 C ATOM 188 NZ LYS A 13 8.501 -5.637 -2.656 1.00 0.00 N ATOM 0 H LYS A 13 6.316 -1.600 2.068 1.00 0.00 H new ATOM 0 HA LYS A 13 4.714 -3.652 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.427 -3.047 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.240 -4.475 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.403 -5.699 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.811 -5.115 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.709 -4.053 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.613 -3.023 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.431 -3.935 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.169 -5.257 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.408 -6.058 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.844 -6.391 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.097 -5.110 -3.457 1.00 0.00 H new ATOM 202 N ASP A 14 5.368 -3.846 4.177 1.00 0.00 N ATOM 203 CA ASP A 14 4.973 -4.510 5.413 1.00 0.00 C ATOM 204 C ASP A 14 3.470 -4.390 5.623 1.00 0.00 C ATOM 205 O ASP A 14 2.798 -5.363 5.965 1.00 0.00 O ATOM 206 CB ASP A 14 5.718 -3.906 6.605 1.00 0.00 C ATOM 207 CG ASP A 14 5.907 -4.902 7.732 1.00 0.00 C ATOM 208 OD1 ASP A 14 6.361 -6.033 7.456 1.00 0.00 O ATOM 209 OD2 ASP A 14 5.603 -4.550 8.892 1.00 0.00 O ATOM 0 H ASP A 14 6.014 -3.067 4.304 1.00 0.00 H new ATOM 0 HA ASP A 14 5.234 -5.565 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.692 -3.544 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.166 -3.042 6.976 1.00 0.00 H new ATOM 214 N LEU A 15 2.945 -3.187 5.408 1.00 0.00 N ATOM 215 CA LEU A 15 1.519 -2.937 5.565 1.00 0.00 C ATOM 216 C LEU A 15 0.718 -3.792 4.592 1.00 0.00 C ATOM 217 O LEU A 15 -0.280 -4.409 4.965 1.00 0.00 O ATOM 218 CB LEU A 15 1.214 -1.454 5.343 1.00 0.00 C ATOM 219 CG LEU A 15 1.174 -0.603 6.614 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.812 0.835 6.280 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.187 -1.186 7.614 1.00 0.00 C ATOM 0 H LEU A 15 3.487 -2.371 5.125 1.00 0.00 H new ATOM 0 HA LEU A 15 1.230 -3.206 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.966 -1.041 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.253 -1.368 4.836 1.00 0.00 H new ATOM 0 HG LEU A 15 2.166 -0.611 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.788 1.426 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.556 1.249 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.169 0.862 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.171 -0.568 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.809 -1.208 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.490 -2.200 7.876 1.00 0.00 H new ATOM 233 N LEU A 16 1.169 -3.828 3.345 1.00 0.00 N ATOM 234 CA LEU A 16 0.506 -4.613 2.317 1.00 0.00 C ATOM 235 C LEU A 16 0.562 -6.094 2.669 1.00 0.00 C ATOM 236 O LEU A 16 -0.405 -6.828 2.474 1.00 0.00 O ATOM 237 CB LEU A 16 1.167 -4.368 0.962 1.00 0.00 C ATOM 238 CG LEU A 16 0.814 -3.032 0.302 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.066 -2.344 -0.226 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.193 -3.239 -0.820 1.00 0.00 C ATOM 0 H LEU A 16 1.993 -3.321 3.022 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.538 -4.306 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.249 -4.420 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.886 -5.176 0.286 1.00 0.00 H new ATOM 0 HG LEU A 16 0.362 -2.388 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.792 -1.397 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.754 -2.158 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.549 -2.984 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.431 -2.278 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.232 -3.903 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.102 -3.684 -0.415 1.00 0.00 H new ATOM 252 N THR A 17 1.699 -6.523 3.206 1.00 0.00 N ATOM 253 CA THR A 17 1.877 -7.914 3.600 1.00 0.00 C ATOM 254 C THR A 17 0.827 -8.305 4.631 1.00 0.00 C ATOM 255 O THR A 17 0.220 -9.372 4.544 1.00 0.00 O ATOM 256 CB THR A 17 3.280 -8.131 4.169 1.00 0.00 C ATOM 257 OG1 THR A 17 4.264 -7.640 3.276 1.00 0.00 O ATOM 258 CG2 THR A 17 3.597 -9.584 4.446 1.00 0.00 C ATOM 0 H THR A 17 2.509 -5.928 3.378 1.00 0.00 H new ATOM 0 HA THR A 17 1.758 -8.544 2.718 1.00 0.00 H new ATOM 0 HB THR A 17 3.295 -7.587 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.503 -6.722 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.607 -9.666 4.848 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.885 -9.980 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.528 -10.155 3.520 1.00 0.00 H new ATOM 266 N LYS A 18 0.613 -7.423 5.600 1.00 0.00 N ATOM 267 CA LYS A 18 -0.373 -7.660 6.646 1.00 0.00 C ATOM 268 C LYS A 18 -1.786 -7.620 6.071 1.00 0.00 C ATOM 269 O LYS A 18 -2.683 -8.311 6.553 1.00 0.00 O ATOM 270 CB LYS A 18 -0.228 -6.617 7.757 1.00 0.00 C ATOM 271 CG LYS A 18 0.372 -7.177 9.039 1.00 0.00 C ATOM 272 CD LYS A 18 -0.465 -6.814 10.255 1.00 0.00 C ATOM 273 CE LYS A 18 0.320 -6.989 11.544 1.00 0.00 C ATOM 274 NZ LYS A 18 0.521 -8.426 11.881 1.00 0.00 N ATOM 0 H LYS A 18 1.110 -6.536 5.683 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.197 -8.650 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.398 -5.800 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.208 -6.194 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.450 -8.261 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.384 -6.793 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.802 -5.781 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.357 -7.439 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.289 -6.500 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.207 -6.495 12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.061 -8.503 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.404 -8.888 11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.046 -8.892 11.114 1.00 0.00 H new ATOM 288 N ARG A 19 -1.976 -6.803 5.037 1.00 0.00 N ATOM 289 CA ARG A 19 -3.281 -6.670 4.398 1.00 0.00 C ATOM 290 C ARG A 19 -3.465 -7.694 3.275 1.00 0.00 C ATOM 291 O ARG A 19 -4.539 -7.787 2.683 1.00 0.00 O ATOM 292 CB ARG A 19 -3.450 -5.253 3.844 1.00 0.00 C ATOM 293 CG ARG A 19 -4.382 -4.383 4.673 1.00 0.00 C ATOM 294 CD ARG A 19 -4.704 -3.076 3.965 1.00 0.00 C ATOM 295 NE ARG A 19 -4.416 -1.914 4.803 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.218 -1.484 5.776 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.356 -2.115 6.035 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.880 -0.419 6.490 1.00 0.00 N ATOM 0 H ARG A 19 -1.244 -6.225 4.625 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.043 -6.860 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.472 -4.774 3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.833 -5.313 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.306 -4.926 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.921 -4.171 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.125 -3.011 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.757 -3.067 3.682 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.550 -1.402 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.621 -2.934 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.966 -1.781 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.007 0.070 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.493 -0.089 7.235 1.00 0.00 H new ATOM 312 N ASN A 20 -2.415 -8.460 2.985 1.00 0.00 N ATOM 313 CA ASN A 20 -2.474 -9.472 1.935 1.00 0.00 C ATOM 314 C ASN A 20 -2.701 -8.828 0.570 1.00 0.00 C ATOM 315 O ASN A 20 -3.512 -9.304 -0.225 1.00 0.00 O ATOM 316 CB ASN A 20 -3.586 -10.481 2.231 1.00 0.00 C ATOM 317 CG ASN A 20 -3.193 -11.899 1.864 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.855 -12.185 0.715 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.237 -12.797 2.842 1.00 0.00 N ATOM 0 H ASN A 20 -1.515 -8.399 3.462 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.518 -9.994 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.838 -10.439 3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.483 -10.201 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.985 -13.767 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.523 -12.516 3.780 1.00 0.00 H new ATOM 326 N LEU A 21 -1.981 -7.744 0.307 1.00 0.00 N ATOM 327 CA LEU A 21 -2.103 -7.034 -0.960 1.00 0.00 C ATOM 328 C LEU A 21 -0.888 -7.286 -1.847 1.00 0.00 C ATOM 329 O LEU A 21 0.134 -7.795 -1.387 1.00 0.00 O ATOM 330 CB LEU A 21 -2.266 -5.533 -0.714 1.00 0.00 C ATOM 331 CG LEU A 21 -3.612 -5.117 -0.118 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.585 -3.653 0.291 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.735 -5.374 -1.111 1.00 0.00 C ATOM 0 H LEU A 21 -1.306 -7.337 0.955 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.988 -7.410 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.472 -5.202 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.127 -5.008 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.795 -5.718 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.551 -3.375 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.805 -3.498 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.379 -3.035 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.686 -5.073 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.557 -4.798 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.769 -6.436 -1.355 1.00 0.00 H new ATOM 345 N SER A 22 -1.006 -6.927 -3.122 1.00 0.00 N ATOM 346 CA SER A 22 0.083 -7.115 -4.074 1.00 0.00 C ATOM 347 C SER A 22 1.160 -6.051 -3.885 1.00 0.00 C ATOM 348 O SER A 22 0.890 -4.854 -3.989 1.00 0.00 O ATOM 349 CB SER A 22 -0.453 -7.071 -5.507 1.00 0.00 C ATOM 350 OG SER A 22 -0.350 -8.340 -6.129 1.00 0.00 O ATOM 0 H SER A 22 -1.845 -6.504 -3.519 1.00 0.00 H new ATOM 0 HA SER A 22 0.530 -8.092 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.495 -6.750 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.104 -6.333 -6.084 1.00 0.00 H new ATOM 0 HG SER A 22 -0.700 -8.286 -7.043 1.00 0.00 H new ATOM 356 N VAL A 23 2.381 -6.496 -3.607 1.00 0.00 N ATOM 357 CA VAL A 23 3.499 -5.583 -3.402 1.00 0.00 C ATOM 358 C VAL A 23 4.452 -5.591 -4.595 1.00 0.00 C ATOM 359 O VAL A 23 5.607 -5.178 -4.481 1.00 0.00 O ATOM 360 CB VAL A 23 4.289 -5.941 -2.129 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.444 -5.695 -0.889 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.764 -7.385 -2.184 1.00 0.00 C ATOM 0 H VAL A 23 2.621 -7.483 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 23 3.072 -4.586 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 23 5.167 -5.297 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.019 -5.954 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.160 -4.643 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.546 -6.311 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.320 -7.620 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.903 -8.048 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.410 -7.523 -3.051 1.00 0.00 H new ATOM 372 N GLY A 24 3.967 -6.064 -5.740 1.00 0.00 N ATOM 373 CA GLY A 24 4.796 -6.117 -6.931 1.00 0.00 C ATOM 374 C GLY A 24 4.867 -4.783 -7.651 1.00 0.00 C ATOM 375 O GLY A 24 5.871 -4.471 -8.292 1.00 0.00 O ATOM 0 H GLY A 24 3.016 -6.411 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.803 -6.431 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.402 -6.872 -7.611 1.00 0.00 H new ATOM 379 N GLY A 25 3.800 -3.998 -7.547 1.00 0.00 N ATOM 380 CA GLY A 25 3.768 -2.702 -8.202 1.00 0.00 C ATOM 381 C GLY A 25 4.710 -1.702 -7.560 1.00 0.00 C ATOM 382 O GLY A 25 5.242 -1.946 -6.477 1.00 0.00 O ATOM 0 H GLY A 25 2.958 -4.235 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.033 -2.823 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.752 -2.309 -8.173 1.00 0.00 H new ATOM 386 N LEU A 26 4.916 -0.571 -8.230 1.00 0.00 N ATOM 387 CA LEU A 26 5.800 0.471 -7.718 1.00 0.00 C ATOM 388 C LEU A 26 5.210 1.115 -6.469 1.00 0.00 C ATOM 389 O LEU A 26 4.053 0.877 -6.124 1.00 0.00 O ATOM 390 CB LEU A 26 6.043 1.535 -8.790 1.00 0.00 C ATOM 391 CG LEU A 26 7.241 1.273 -9.704 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.954 1.761 -11.115 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.488 1.945 -9.150 1.00 0.00 C ATOM 0 H LEU A 26 4.483 -0.353 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 26 6.752 0.010 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.148 1.619 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.184 2.498 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 26 7.416 0.198 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.818 1.566 -11.750 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.086 1.236 -11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.752 2.832 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.332 1.749 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.322 3.020 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.705 1.548 -8.158 1.00 0.00 H new ATOM 405 N LYS A 27 6.013 1.933 -5.793 1.00 0.00 N ATOM 406 CA LYS A 27 5.573 2.613 -4.577 1.00 0.00 C ATOM 407 C LYS A 27 4.208 3.268 -4.775 1.00 0.00 C ATOM 408 O LYS A 27 3.308 3.115 -3.947 1.00 0.00 O ATOM 409 CB LYS A 27 6.600 3.668 -4.160 1.00 0.00 C ATOM 410 CG LYS A 27 6.665 3.895 -2.659 1.00 0.00 C ATOM 411 CD LYS A 27 7.597 5.047 -2.309 1.00 0.00 C ATOM 412 CE LYS A 27 6.936 6.030 -1.355 1.00 0.00 C ATOM 413 NZ LYS A 27 7.893 7.064 -0.873 1.00 0.00 N ATOM 0 H LYS A 27 6.973 2.141 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 27 5.483 1.866 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.585 3.365 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.360 4.611 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.666 4.105 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.009 2.985 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.507 4.655 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.893 5.566 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.099 6.516 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.526 5.489 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.404 7.715 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.679 6.603 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.265 7.598 -1.684 1.00 0.00 H new ATOM 427 N ASN A 28 4.059 3.991 -5.879 1.00 0.00 N ATOM 428 CA ASN A 28 2.803 4.662 -6.185 1.00 0.00 C ATOM 429 C ASN A 28 1.671 3.648 -6.321 1.00 0.00 C ATOM 430 O ASN A 28 0.524 3.927 -5.965 1.00 0.00 O ATOM 431 CB ASN A 28 2.937 5.488 -7.469 1.00 0.00 C ATOM 432 CG ASN A 28 2.960 4.630 -8.720 1.00 0.00 C ATOM 433 OD1 ASN A 28 4.015 4.404 -9.314 1.00 0.00 O ATOM 434 ND2 ASN A 28 1.792 4.147 -9.126 1.00 0.00 N ATOM 0 H ASN A 28 4.792 4.127 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 28 2.564 5.335 -5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.107 6.191 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.852 6.078 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.744 3.563 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.943 4.360 -8.603 1.00 0.00 H new ATOM 441 N GLU A 29 2.003 2.465 -6.831 1.00 0.00 N ATOM 442 CA GLU A 29 1.020 1.406 -7.006 1.00 0.00 C ATOM 443 C GLU A 29 0.586 0.868 -5.651 1.00 0.00 C ATOM 444 O GLU A 29 -0.581 0.540 -5.442 1.00 0.00 O ATOM 445 CB GLU A 29 1.598 0.277 -7.862 1.00 0.00 C ATOM 446 CG GLU A 29 1.195 0.357 -9.326 1.00 0.00 C ATOM 447 CD GLU A 29 0.373 -0.837 -9.772 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.975 -1.870 -10.136 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.872 -0.741 -9.757 1.00 0.00 O ATOM 0 H GLU A 29 2.946 2.218 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 29 0.150 1.818 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.685 0.299 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.271 -0.680 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.622 1.270 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.091 0.427 -9.942 1.00 0.00 H new ATOM 456 N LEU A 30 1.540 0.795 -4.731 1.00 0.00 N ATOM 457 CA LEU A 30 1.266 0.314 -3.386 1.00 0.00 C ATOM 458 C LEU A 30 0.344 1.286 -2.660 1.00 0.00 C ATOM 459 O LEU A 30 -0.532 0.879 -1.897 1.00 0.00 O ATOM 460 CB LEU A 30 2.571 0.150 -2.608 1.00 0.00 C ATOM 461 CG LEU A 30 3.649 -0.679 -3.310 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.943 -0.659 -2.511 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.171 -2.108 -3.518 1.00 0.00 C ATOM 0 H LEU A 30 2.511 1.063 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 30 0.774 -0.656 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.976 1.140 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.347 -0.314 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 30 3.842 -0.236 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.698 -1.254 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.295 0.368 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.765 -1.077 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.950 -2.683 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.949 -2.562 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.271 -2.105 -4.133 1.00 0.00 H new ATOM 475 N VAL A 31 0.546 2.574 -2.914 1.00 0.00 N ATOM 476 CA VAL A 31 -0.267 3.614 -2.298 1.00 0.00 C ATOM 477 C VAL A 31 -1.705 3.541 -2.797 1.00 0.00 C ATOM 478 O VAL A 31 -2.652 3.589 -2.011 1.00 0.00 O ATOM 479 CB VAL A 31 0.302 5.017 -2.592 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.554 6.098 -1.946 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.745 5.115 -2.120 1.00 0.00 C ATOM 0 H VAL A 31 1.268 2.923 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.248 3.445 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 31 0.282 5.175 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.131 7.078 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.569 6.043 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.575 5.948 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.131 6.111 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.790 4.932 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.349 4.372 -2.640 1.00 0.00 H new ATOM 491 N GLN A 32 -1.858 3.421 -4.110 1.00 0.00 N ATOM 492 CA GLN A 32 -3.178 3.337 -4.722 1.00 0.00 C ATOM 493 C GLN A 32 -3.905 2.075 -4.276 1.00 0.00 C ATOM 494 O GLN A 32 -5.122 2.083 -4.085 1.00 0.00 O ATOM 495 CB GLN A 32 -3.060 3.358 -6.248 1.00 0.00 C ATOM 496 CG GLN A 32 -2.893 4.753 -6.827 1.00 0.00 C ATOM 497 CD GLN A 32 -4.154 5.262 -7.497 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.816 4.533 -8.236 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.492 6.520 -7.240 1.00 0.00 N ATOM 0 H GLN A 32 -1.083 3.380 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.756 4.202 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.209 2.746 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.950 2.899 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.606 5.440 -6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.079 4.746 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.913 7.087 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.331 6.919 -7.662 1.00 0.00 H new ATOM 508 N ARG A 33 -3.155 0.990 -4.110 1.00 0.00 N ATOM 509 CA ARG A 33 -3.739 -0.276 -3.682 1.00 0.00 C ATOM 510 C ARG A 33 -4.283 -0.158 -2.264 1.00 0.00 C ATOM 511 O ARG A 33 -5.404 -0.583 -1.980 1.00 0.00 O ATOM 512 CB ARG A 33 -2.698 -1.395 -3.754 1.00 0.00 C ATOM 513 CG ARG A 33 -3.282 -2.745 -4.135 1.00 0.00 C ATOM 514 CD ARG A 33 -2.192 -3.787 -4.332 1.00 0.00 C ATOM 515 NE ARG A 33 -1.813 -3.923 -5.736 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.530 -4.593 -6.635 1.00 0.00 C ATOM 517 NH1 ARG A 33 -3.663 -5.188 -6.282 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.114 -4.668 -7.892 1.00 0.00 N ATOM 0 H ARG A 33 -2.147 0.962 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.562 -0.520 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.932 -1.122 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.203 -1.482 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.969 -3.078 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.862 -2.646 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.316 -3.511 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.538 -4.749 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.949 -3.479 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.989 -5.133 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.208 -5.700 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.245 -4.212 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.663 -5.181 -8.581 1.00 0.00 H new ATOM 532 N LEU A 34 -3.490 0.439 -1.381 1.00 0.00 N ATOM 533 CA LEU A 34 -3.902 0.635 0.002 1.00 0.00 C ATOM 534 C LEU A 34 -5.052 1.632 0.066 1.00 0.00 C ATOM 535 O LEU A 34 -5.991 1.473 0.846 1.00 0.00 O ATOM 536 CB LEU A 34 -2.726 1.133 0.844 1.00 0.00 C ATOM 537 CG LEU A 34 -1.714 0.058 1.243 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.310 0.641 1.299 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.092 -0.557 2.581 1.00 0.00 C ATOM 0 H LEU A 34 -2.559 0.795 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.237 -0.320 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.205 1.912 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.118 1.596 1.750 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.728 -0.727 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.396 -0.138 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.040 1.034 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.279 1.446 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.362 -1.320 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.106 0.218 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.080 -1.011 2.507 1.00 0.00 H new ATOM 551 N ILE A 35 -4.964 2.659 -0.772 1.00 0.00 N ATOM 552 CA ILE A 35 -5.986 3.694 -0.837 1.00 0.00 C ATOM 553 C ILE A 35 -7.304 3.120 -1.353 1.00 0.00 C ATOM 554 O ILE A 35 -8.376 3.447 -0.843 1.00 0.00 O ATOM 555 CB ILE A 35 -5.531 4.859 -1.746 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.380 5.623 -1.088 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.688 5.799 -2.056 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.529 6.396 -2.072 1.00 0.00 C ATOM 0 H ILE A 35 -4.188 2.796 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.139 4.076 0.172 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.181 4.439 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.788 6.314 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.748 4.918 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.338 6.608 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.478 5.248 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.078 6.215 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.733 6.913 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.092 5.707 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.148 7.125 -2.594 1.00 0.00 H new ATOM 570 N LYS A 36 -7.215 2.265 -2.367 1.00 0.00 N ATOM 571 CA LYS A 36 -8.399 1.646 -2.950 1.00 0.00 C ATOM 572 C LYS A 36 -9.073 0.714 -1.949 1.00 0.00 C ATOM 573 O LYS A 36 -10.290 0.758 -1.766 1.00 0.00 O ATOM 574 CB LYS A 36 -8.024 0.870 -4.214 1.00 0.00 C ATOM 575 CG LYS A 36 -8.026 1.722 -5.474 1.00 0.00 C ATOM 576 CD LYS A 36 -9.058 1.233 -6.479 1.00 0.00 C ATOM 577 CE LYS A 36 -10.341 2.044 -6.398 1.00 0.00 C ATOM 578 NZ LYS A 36 -11.288 1.696 -7.493 1.00 0.00 N ATOM 0 H LYS A 36 -6.335 1.985 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.101 2.437 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.034 0.433 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.722 0.043 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.235 2.759 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.036 1.702 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.647 1.300 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.278 0.182 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.820 1.870 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.103 3.106 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.150 2.271 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.841 1.886 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.536 0.688 -7.430 1.00 0.00 H new ATOM 592 N ASP A 37 -8.274 -0.128 -1.302 1.00 0.00 N ATOM 593 CA ASP A 37 -8.792 -1.072 -0.319 1.00 0.00 C ATOM 594 C ASP A 37 -9.430 -0.336 0.856 1.00 0.00 C ATOM 595 O ASP A 37 -10.472 -0.748 1.366 1.00 0.00 O ATOM 596 CB ASP A 37 -7.672 -1.984 0.183 1.00 0.00 C ATOM 597 CG ASP A 37 -8.196 -3.296 0.733 1.00 0.00 C ATOM 598 OD1 ASP A 37 -7.725 -3.719 1.809 1.00 0.00 O ATOM 599 OD2 ASP A 37 -9.079 -3.899 0.087 1.00 0.00 O ATOM 0 H ASP A 37 -7.265 -0.176 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.556 -1.680 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.979 -2.187 -0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.107 -1.468 0.959 1.00 0.00 H new ATOM 604 N ASP A 38 -8.799 0.753 1.279 1.00 0.00 N ATOM 605 CA ASP A 38 -9.304 1.546 2.393 1.00 0.00 C ATOM 606 C ASP A 38 -10.568 2.299 1.994 1.00 0.00 C ATOM 607 O ASP A 38 -11.522 2.388 2.768 1.00 0.00 O ATOM 608 CB ASP A 38 -8.237 2.533 2.871 1.00 0.00 C ATOM 609 CG ASP A 38 -7.384 1.964 3.988 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.448 2.499 5.115 1.00 0.00 O ATOM 611 OD2 ASP A 38 -6.653 0.984 3.736 1.00 0.00 O ATOM 0 H ASP A 38 -7.936 1.107 0.867 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.549 0.866 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.597 2.807 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.720 3.447 3.216 1.00 0.00 H new ATOM 616 N GLU A 39 -10.569 2.838 0.781 1.00 0.00 N ATOM 617 CA GLU A 39 -11.716 3.584 0.276 1.00 0.00 C ATOM 618 C GLU A 39 -12.884 2.650 -0.019 1.00 0.00 C ATOM 619 O GLU A 39 -14.041 2.987 0.230 1.00 0.00 O ATOM 620 CB GLU A 39 -11.332 4.357 -0.987 1.00 0.00 C ATOM 621 CG GLU A 39 -10.822 5.762 -0.710 1.00 0.00 C ATOM 622 CD GLU A 39 -10.540 6.540 -1.979 1.00 0.00 C ATOM 623 OE1 GLU A 39 -11.417 6.566 -2.869 1.00 0.00 O ATOM 624 OE2 GLU A 39 -9.442 7.127 -2.085 1.00 0.00 O ATOM 0 H GLU A 39 -9.788 2.773 0.128 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.026 4.291 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.564 3.800 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.200 4.418 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.558 6.301 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.911 5.703 -0.114 1.00 0.00 H new ATOM 631 N GLU A 40 -12.571 1.474 -0.550 1.00 0.00 N ATOM 632 CA GLU A 40 -13.593 0.487 -0.881 1.00 0.00 C ATOM 633 C GLU A 40 -14.259 -0.050 0.381 1.00 0.00 C ATOM 634 O GLU A 40 -15.468 -0.274 0.411 1.00 0.00 O ATOM 635 CB GLU A 40 -12.980 -0.665 -1.679 1.00 0.00 C ATOM 636 CG GLU A 40 -12.982 -0.433 -3.181 1.00 0.00 C ATOM 637 CD GLU A 40 -12.451 -1.624 -3.955 1.00 0.00 C ATOM 638 OE1 GLU A 40 -11.268 -1.594 -4.353 1.00 0.00 O ATOM 639 OE2 GLU A 40 -13.219 -2.586 -4.164 1.00 0.00 O ATOM 0 H GLU A 40 -11.617 1.180 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.353 0.977 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.954 -0.822 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.530 -1.580 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.998 -0.214 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.377 0.444 -3.410 1.00 0.00 H new ATOM 646 N SER A 41 -13.458 -0.254 1.421 1.00 0.00 N ATOM 647 CA SER A 41 -13.967 -0.766 2.689 1.00 0.00 C ATOM 648 C SER A 41 -14.827 0.279 3.392 1.00 0.00 C ATOM 649 O SER A 41 -15.793 -0.058 4.077 1.00 0.00 O ATOM 650 CB SER A 41 -12.807 -1.183 3.596 1.00 0.00 C ATOM 651 OG SER A 41 -11.957 -2.110 2.943 1.00 0.00 O ATOM 0 H SER A 41 -12.454 -0.073 1.412 1.00 0.00 H new ATOM 0 HA SER A 41 -14.587 -1.638 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.234 -0.302 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.198 -1.626 4.512 1.00 0.00 H new ATOM 0 HG SER A 41 -11.169 -1.643 2.595 1.00 0.00 H new ATOM 657 N LYS A 42 -14.470 1.546 3.216 1.00 0.00 N ATOM 658 CA LYS A 42 -15.211 2.641 3.834 1.00 0.00 C ATOM 659 C LYS A 42 -16.459 2.986 3.026 1.00 0.00 C ATOM 660 O LYS A 42 -17.400 3.585 3.547 1.00 0.00 O ATOM 661 CB LYS A 42 -14.318 3.876 3.966 1.00 0.00 C ATOM 662 CG LYS A 42 -14.609 4.707 5.205 1.00 0.00 C ATOM 663 CD LYS A 42 -13.395 5.515 5.632 1.00 0.00 C ATOM 664 CE LYS A 42 -13.762 6.570 6.662 1.00 0.00 C ATOM 665 NZ LYS A 42 -13.468 6.119 8.051 1.00 0.00 N ATOM 0 H LYS A 42 -13.673 1.841 2.651 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.525 2.317 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.275 3.560 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.443 4.501 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.443 5.380 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.916 4.052 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.640 4.847 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.951 5.995 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.211 7.487 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.822 6.809 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.733 6.868 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.013 5.258 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.452 5.916 8.142 1.00 0.00 H new ATOM 679 N GLY A 43 -16.463 2.606 1.751 1.00 0.00 N ATOM 680 CA GLY A 43 -17.602 2.886 0.898 1.00 0.00 C ATOM 681 C GLY A 43 -17.555 2.111 -0.405 1.00 0.00 C ATOM 682 O GLY A 43 -16.478 1.834 -0.932 1.00 0.00 O ATOM 0 H GLY A 43 -15.698 2.110 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -18.520 2.640 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.636 3.954 0.681 1.00 0.00 H new ATOM 686 N GLU A 44 -18.727 1.760 -0.924 1.00 0.00 N ATOM 687 CA GLU A 44 -18.815 1.012 -2.173 1.00 0.00 C ATOM 688 C GLU A 44 -20.182 1.200 -2.825 1.00 0.00 C ATOM 689 O GLU A 44 -21.216 1.078 -2.167 1.00 0.00 O ATOM 690 CB GLU A 44 -18.555 -0.475 -1.920 1.00 0.00 C ATOM 691 CG GLU A 44 -17.572 -1.095 -2.899 1.00 0.00 C ATOM 692 CD GLU A 44 -18.163 -1.278 -4.283 1.00 0.00 C ATOM 693 OE1 GLU A 44 -18.338 -2.441 -4.705 1.00 0.00 O ATOM 694 OE2 GLU A 44 -18.453 -0.259 -4.944 1.00 0.00 O ATOM 0 H GLU A 44 -19.628 1.981 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.054 1.396 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.174 -0.602 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.500 -1.015 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.686 -0.464 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.246 -2.062 -2.517 1.00 0.00 H new ATOM 701 N SER A 45 -20.179 1.497 -4.120 1.00 0.00 N ATOM 702 CA SER A 45 -21.418 1.701 -4.861 1.00 0.00 C ATOM 703 C SER A 45 -21.265 1.257 -6.312 1.00 0.00 C ATOM 704 O SER A 45 -20.157 1.217 -6.846 1.00 0.00 O ATOM 705 CB SER A 45 -21.832 3.173 -4.807 1.00 0.00 C ATOM 706 OG SER A 45 -22.702 3.420 -3.716 1.00 0.00 O ATOM 0 H SER A 45 -19.332 1.602 -4.678 1.00 0.00 H new ATOM 0 HA SER A 45 -22.194 1.094 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 45 -20.945 3.800 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 45 -22.325 3.449 -5.739 1.00 0.00 H new ATOM 0 HG SER A 45 -22.505 2.790 -2.991 1.00 0.00 H new ATOM 712 N GLU A 46 -22.386 0.924 -6.944 1.00 0.00 N ATOM 713 CA GLU A 46 -22.378 0.483 -8.334 1.00 0.00 C ATOM 714 C GLU A 46 -23.216 1.413 -9.206 1.00 0.00 C ATOM 715 O GLU A 46 -24.200 1.992 -8.745 1.00 0.00 O ATOM 716 CB GLU A 46 -22.907 -0.950 -8.439 1.00 0.00 C ATOM 717 CG GLU A 46 -21.813 -2.004 -8.433 1.00 0.00 C ATOM 718 CD GLU A 46 -22.193 -3.233 -7.630 1.00 0.00 C ATOM 719 OE1 GLU A 46 -23.057 -4.004 -8.098 1.00 0.00 O ATOM 720 OE2 GLU A 46 -21.626 -3.425 -6.534 1.00 0.00 O ATOM 0 H GLU A 46 -23.311 0.951 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 46 -21.349 0.510 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -23.587 -1.139 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -23.489 -1.047 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.592 -2.299 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.900 -1.573 -8.021 1.00 0.00 H new ATOM 727 N VAL A 47 -22.820 1.552 -10.466 1.00 0.00 N ATOM 728 CA VAL A 47 -23.534 2.412 -11.402 1.00 0.00 C ATOM 729 C VAL A 47 -23.525 3.862 -10.932 1.00 0.00 C ATOM 730 O VAL A 47 -24.109 4.195 -9.901 1.00 0.00 O ATOM 731 CB VAL A 47 -24.993 1.954 -11.584 1.00 0.00 C ATOM 732 CG1 VAL A 47 -25.662 2.732 -12.706 1.00 0.00 C ATOM 733 CG2 VAL A 47 -25.055 0.457 -11.852 1.00 0.00 C ATOM 0 H VAL A 47 -22.008 1.080 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 47 -23.015 2.339 -12.358 1.00 0.00 H new ATOM 0 HB VAL A 47 -25.535 2.157 -10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -26.692 2.394 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -25.653 3.795 -12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -25.121 2.565 -13.637 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -26.094 0.153 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -24.497 0.226 -12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -24.618 -0.082 -11.011 1.00 0.00 H new ATOM 743 N SER A 48 -22.856 4.722 -11.695 1.00 0.00 N ATOM 744 CA SER A 48 -22.771 6.137 -11.356 1.00 0.00 C ATOM 745 C SER A 48 -23.681 6.969 -12.260 1.00 0.00 C ATOM 746 O SER A 48 -23.607 6.869 -13.485 1.00 0.00 O ATOM 747 CB SER A 48 -21.327 6.625 -11.481 1.00 0.00 C ATOM 748 OG SER A 48 -20.470 5.911 -10.607 1.00 0.00 O ATOM 0 H SER A 48 -22.366 4.463 -12.551 1.00 0.00 H new ATOM 0 HA SER A 48 -23.102 6.259 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.986 6.503 -12.509 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.279 7.690 -11.253 1.00 0.00 H new ATOM 0 HG SER A 48 -19.552 6.240 -10.707 1.00 0.00 H new ATOM 754 N PRO A 49 -24.555 7.805 -11.670 1.00 0.00 N ATOM 755 CA PRO A 49 -25.476 8.651 -12.438 1.00 0.00 C ATOM 756 C PRO A 49 -24.750 9.504 -13.474 1.00 0.00 C ATOM 757 O PRO A 49 -24.983 9.371 -14.675 1.00 0.00 O ATOM 758 CB PRO A 49 -26.123 9.541 -11.374 1.00 0.00 C ATOM 759 CG PRO A 49 -26.002 8.766 -10.107 1.00 0.00 C ATOM 760 CD PRO A 49 -24.717 7.995 -10.216 1.00 0.00 C ATOM 0 HA PRO A 49 -26.192 8.057 -13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -25.615 10.503 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -27.166 9.749 -11.613 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -25.987 9.430 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -26.851 8.094 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -23.880 8.546 -9.787 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -24.774 7.042 -9.690 1.00 0.00 H new ATOM 768 N GLN A 50 -23.871 10.379 -13.000 1.00 0.00 N ATOM 769 CA GLN A 50 -23.110 11.254 -13.884 1.00 0.00 C ATOM 770 C GLN A 50 -22.043 10.469 -14.641 1.00 0.00 C ATOM 771 O GLN A 50 -21.922 10.668 -15.868 1.00 0.00 O ATOM 772 CB GLN A 50 -22.458 12.383 -13.083 1.00 0.00 C ATOM 773 CG GLN A 50 -22.565 13.744 -13.750 1.00 0.00 C ATOM 774 CD GLN A 50 -21.780 14.815 -13.019 1.00 0.00 C ATOM 775 OE1 GLN A 50 -22.219 15.332 -11.991 1.00 0.00 O ATOM 776 NE2 GLN A 50 -20.610 15.156 -13.547 1.00 0.00 N ATOM 777 OXT GLN A 50 -21.337 9.661 -14.001 1.00 0.00 O ATOM 0 H GLN A 50 -23.667 10.502 -12.008 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.801 11.685 -14.609 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -22.922 12.433 -12.098 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.406 12.146 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -22.204 13.671 -14.776 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.613 14.038 -13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -20.284 14.702 -14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.038 15.872 -13.099 1.00 0.00 H new TER 786 GLN A 50