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+ 163:sc= 0.947 (180deg=-0.181) USER MOD Single : A 1 SER OG : rot 180:sc= -0.23 USER MOD Single : A 4 TYR OH : rot 79:sc= 0.362 USER MOD Single : A 5 SER OG : rot 180:sc= -3.26! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 11 GLN : amide:sc= -0.14 K(o=-0.14,f=-8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.1 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.011) 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+ -179:sc= 1.18 (180deg=1.12) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.616 F(o=-2.1,f=-0.62) USER MOD Single : A 32 GLN : amide:sc= -0.0105 X(o=-0.01,f=-0.26) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 85:sc= 0.434 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -4.891 6.810 3.299 1.00 0.00 N ATOM 2 CA SER A 1 -4.942 6.978 1.822 1.00 0.00 C ATOM 3 C SER A 1 -3.734 7.759 1.315 1.00 0.00 C ATOM 4 O SER A 1 -3.072 7.348 0.362 1.00 0.00 O ATOM 5 CB SER A 1 -6.235 7.711 1.459 1.00 0.00 C ATOM 6 OG SER A 1 -6.233 9.032 1.973 1.00 0.00 O ATOM 0 H1 SER A 1 -5.832 6.542 3.651 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.207 6.065 3.540 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.598 7.705 3.740 1.00 0.00 H new ATOM 0 HA SER A 1 -4.921 5.996 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.349 7.739 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.091 7.164 1.856 1.00 0.00 H new ATOM 0 HG SER A 1 -7.069 9.480 1.726 1.00 0.00 H new ATOM 14 N ALA A 2 -3.453 8.887 1.958 1.00 0.00 N ATOM 15 CA ALA A 2 -2.325 9.726 1.572 1.00 0.00 C ATOM 16 C ALA A 2 -1.097 9.421 2.425 1.00 0.00 C ATOM 17 O ALA A 2 0.038 9.561 1.969 1.00 0.00 O ATOM 18 CB ALA A 2 -2.698 11.196 1.685 1.00 0.00 C ATOM 0 H ALA A 2 -3.991 9.241 2.749 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.077 9.505 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.846 11.811 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.541 11.409 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.974 11.423 2.715 1.00 0.00 H new ATOM 24 N ASP A 3 -1.334 9.006 3.665 1.00 0.00 N ATOM 25 CA ASP A 3 -0.249 8.682 4.584 1.00 0.00 C ATOM 26 C ASP A 3 0.630 7.568 4.020 1.00 0.00 C ATOM 27 O ASP A 3 1.825 7.502 4.308 1.00 0.00 O ATOM 28 CB ASP A 3 -0.812 8.265 5.944 1.00 0.00 C ATOM 29 CG ASP A 3 -0.904 9.428 6.912 1.00 0.00 C ATOM 30 OD1 ASP A 3 -2.035 9.797 7.291 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.156 9.970 7.293 1.00 0.00 O ATOM 0 H ASP A 3 -2.268 8.886 4.057 1.00 0.00 H new ATOM 0 HA ASP A 3 0.364 9.574 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.802 7.831 5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.180 7.488 6.373 1.00 0.00 H new ATOM 36 N TYR A 4 0.029 6.695 3.216 1.00 0.00 N ATOM 37 CA TYR A 4 0.757 5.584 2.612 1.00 0.00 C ATOM 38 C TYR A 4 1.943 6.087 1.795 1.00 0.00 C ATOM 39 O TYR A 4 3.062 5.596 1.939 1.00 0.00 O ATOM 40 CB TYR A 4 -0.176 4.761 1.723 1.00 0.00 C ATOM 41 CG TYR A 4 -1.364 4.185 2.461 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.650 4.646 2.210 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.200 3.180 3.406 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.739 4.123 2.883 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.284 2.651 4.080 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.550 3.127 3.815 1.00 0.00 C ATOM 47 OH TYR A 4 -4.632 2.602 4.486 1.00 0.00 O ATOM 0 H TYR A 4 -0.960 6.736 2.968 1.00 0.00 H new ATOM 0 HA TYR A 4 1.136 4.952 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.535 5.389 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.391 3.946 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.802 5.425 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.209 2.806 3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.733 4.494 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.140 1.869 4.811 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.099 1.964 3.906 1.00 0.00 H new ATOM 57 N SER A 5 1.689 7.070 0.937 1.00 0.00 N ATOM 58 CA SER A 5 2.736 7.642 0.097 1.00 0.00 C ATOM 59 C SER A 5 3.866 8.219 0.945 1.00 0.00 C ATOM 60 O SER A 5 5.003 8.328 0.487 1.00 0.00 O ATOM 61 CB SER A 5 2.154 8.731 -0.807 1.00 0.00 C ATOM 62 OG SER A 5 1.722 8.192 -2.044 1.00 0.00 O ATOM 0 H SER A 5 0.768 7.487 0.805 1.00 0.00 H new ATOM 0 HA SER A 5 3.145 6.843 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.316 9.215 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.906 9.500 -0.985 1.00 0.00 H new ATOM 0 HG SER A 5 1.353 8.908 -2.602 1.00 0.00 H new ATOM 68 N SER A 6 3.546 8.588 2.181 1.00 0.00 N ATOM 69 CA SER A 6 4.537 9.154 3.089 1.00 0.00 C ATOM 70 C SER A 6 5.428 8.066 3.683 1.00 0.00 C ATOM 71 O SER A 6 6.532 8.344 4.149 1.00 0.00 O ATOM 72 CB SER A 6 3.845 9.931 4.211 1.00 0.00 C ATOM 73 OG SER A 6 3.700 11.299 3.872 1.00 0.00 O ATOM 0 H SER A 6 2.609 8.505 2.576 1.00 0.00 H new ATOM 0 HA SER A 6 5.166 9.835 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.865 9.496 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.424 9.841 5.130 1.00 0.00 H new ATOM 0 HG SER A 6 3.254 11.772 4.605 1.00 0.00 H new ATOM 79 N LEU A 7 4.943 6.827 3.667 1.00 0.00 N ATOM 80 CA LEU A 7 5.702 5.704 4.207 1.00 0.00 C ATOM 81 C LEU A 7 6.747 5.223 3.206 1.00 0.00 C ATOM 82 O LEU A 7 6.610 5.430 2.000 1.00 0.00 O ATOM 83 CB LEU A 7 4.768 4.550 4.576 1.00 0.00 C ATOM 84 CG LEU A 7 3.408 4.967 5.139 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.581 3.742 5.498 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.588 5.866 6.353 1.00 0.00 C ATOM 0 H LEU A 7 4.030 6.576 3.287 1.00 0.00 H new ATOM 0 HA LEU A 7 6.212 6.048 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.604 3.939 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.269 3.919 5.310 1.00 0.00 H new ATOM 0 HG LEU A 7 2.874 5.528 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.617 4.058 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.424 3.135 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.109 3.154 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.611 6.153 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.141 5.330 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.141 6.760 6.065 1.00 0.00 H new ATOM 98 N THR A 8 7.790 4.577 3.715 1.00 0.00 N ATOM 99 CA THR A 8 8.859 4.060 2.869 1.00 0.00 C ATOM 100 C THR A 8 8.395 2.823 2.111 1.00 0.00 C ATOM 101 O THR A 8 7.322 2.285 2.382 1.00 0.00 O ATOM 102 CB THR A 8 10.085 3.716 3.715 1.00 0.00 C ATOM 103 OG1 THR A 8 9.900 2.476 4.379 1.00 0.00 O ATOM 104 CG2 THR A 8 10.404 4.758 4.766 1.00 0.00 C ATOM 0 H THR A 8 7.918 4.399 4.711 1.00 0.00 H new ATOM 0 HA THR A 8 9.126 4.833 2.149 1.00 0.00 H new ATOM 0 HB THR A 8 10.917 3.671 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.694 2.270 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.285 4.449 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.599 5.715 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.558 4.861 5.445 1.00 0.00 H new ATOM 112 N VAL A 9 9.213 2.368 1.168 1.00 0.00 N ATOM 113 CA VAL A 9 8.880 1.184 0.386 1.00 0.00 C ATOM 114 C VAL A 9 8.746 -0.031 1.296 1.00 0.00 C ATOM 115 O VAL A 9 7.824 -0.833 1.145 1.00 0.00 O ATOM 116 CB VAL A 9 9.945 0.899 -0.692 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.531 -0.282 -1.557 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.183 2.136 -1.546 1.00 0.00 C ATOM 0 H VAL A 9 10.106 2.798 0.928 1.00 0.00 H new ATOM 0 HA VAL A 9 7.929 1.378 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 9 10.880 0.643 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.296 -0.466 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.416 -1.168 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.584 -0.059 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.937 1.917 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.253 2.425 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.529 2.953 -0.914 1.00 0.00 H new ATOM 128 N VAL A 10 9.666 -0.152 2.247 1.00 0.00 N ATOM 129 CA VAL A 10 9.643 -1.260 3.191 1.00 0.00 C ATOM 130 C VAL A 10 8.403 -1.181 4.072 1.00 0.00 C ATOM 131 O VAL A 10 7.769 -2.195 4.365 1.00 0.00 O ATOM 132 CB VAL A 10 10.899 -1.270 4.083 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.923 -2.515 4.959 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.159 -1.180 3.237 1.00 0.00 C ATOM 0 H VAL A 10 10.436 0.503 2.383 1.00 0.00 H new ATOM 0 HA VAL A 10 9.624 -2.182 2.609 1.00 0.00 H new ATOM 0 HB VAL A 10 10.865 -0.396 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.817 -2.504 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.038 -2.529 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.931 -3.404 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.035 -1.189 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.203 -2.031 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.144 -0.256 2.660 1.00 0.00 H new ATOM 144 N GLN A 11 8.055 0.036 4.484 1.00 0.00 N ATOM 145 CA GLN A 11 6.884 0.250 5.322 1.00 0.00 C ATOM 146 C GLN A 11 5.614 -0.085 4.550 1.00 0.00 C ATOM 147 O GLN A 11 4.731 -0.779 5.054 1.00 0.00 O ATOM 148 CB GLN A 11 6.834 1.698 5.811 1.00 0.00 C ATOM 149 CG GLN A 11 7.601 1.931 7.103 1.00 0.00 C ATOM 150 CD GLN A 11 7.709 3.401 7.459 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.713 4.264 6.582 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.798 3.691 8.751 1.00 0.00 N ATOM 0 H GLN A 11 8.568 0.886 4.250 1.00 0.00 H new ATOM 0 HA GLN A 11 6.954 -0.409 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.239 2.349 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.793 1.987 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.106 1.399 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.602 1.509 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.791 2.942 9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.874 4.663 9.052 1.00 0.00 H new ATOM 161 N LEU A 12 5.535 0.408 3.318 1.00 0.00 N ATOM 162 CA LEU A 12 4.380 0.158 2.468 1.00 0.00 C ATOM 163 C LEU A 12 4.222 -1.336 2.210 1.00 0.00 C ATOM 164 O LEU A 12 3.107 -1.858 2.179 1.00 0.00 O ATOM 165 CB LEU A 12 4.524 0.905 1.143 1.00 0.00 C ATOM 166 CG LEU A 12 4.014 2.346 1.153 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.450 3.076 -0.108 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.498 2.372 1.290 1.00 0.00 C ATOM 0 H LEU A 12 6.259 0.983 2.887 1.00 0.00 H new ATOM 0 HA LEU A 12 3.490 0.521 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.576 0.910 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.988 0.352 0.372 1.00 0.00 H new ATOM 0 HG LEU A 12 4.446 2.859 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.078 4.100 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.538 3.087 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.047 2.565 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.151 3.405 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.048 1.842 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.209 1.887 2.222 1.00 0.00 H new ATOM 180 N LYS A 13 5.347 -2.021 2.031 1.00 0.00 N ATOM 181 CA LYS A 13 5.336 -3.457 1.780 1.00 0.00 C ATOM 182 C LYS A 13 4.823 -4.209 3.003 1.00 0.00 C ATOM 183 O LYS A 13 4.073 -5.178 2.880 1.00 0.00 O ATOM 184 CB LYS A 13 6.737 -3.947 1.413 1.00 0.00 C ATOM 185 CG LYS A 13 7.036 -3.876 -0.076 1.00 0.00 C ATOM 186 CD LYS A 13 8.231 -4.741 -0.445 1.00 0.00 C ATOM 187 CE LYS A 13 8.859 -4.290 -1.755 1.00 0.00 C ATOM 188 NZ LYS A 13 9.689 -5.363 -2.370 1.00 0.00 N ATOM 0 H LYS A 13 6.278 -1.604 2.055 1.00 0.00 H new ATOM 0 HA LYS A 13 4.666 -3.652 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.474 -3.351 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.852 -4.977 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.162 -4.201 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.232 -2.842 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.974 -4.696 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.917 -5.781 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.074 -3.994 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.477 -3.410 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.100 -5.017 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.453 -5.628 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.094 -6.194 -2.563 1.00 0.00 H new ATOM 202 N ASP A 14 5.228 -3.752 4.185 1.00 0.00 N ATOM 203 CA ASP A 14 4.804 -4.378 5.429 1.00 0.00 C ATOM 204 C ASP A 14 3.291 -4.286 5.581 1.00 0.00 C ATOM 205 O ASP A 14 2.627 -5.268 5.911 1.00 0.00 O ATOM 206 CB ASP A 14 5.492 -3.710 6.622 1.00 0.00 C ATOM 207 CG ASP A 14 5.665 -4.658 7.793 1.00 0.00 C ATOM 208 OD1 ASP A 14 5.274 -4.287 8.920 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.193 -5.770 7.584 1.00 0.00 O ATOM 0 H ASP A 14 5.848 -2.951 4.305 1.00 0.00 H new ATOM 0 HA ASP A 14 5.090 -5.429 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.468 -3.336 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.906 -2.847 6.940 1.00 0.00 H new ATOM 214 N LEU A 15 2.751 -3.097 5.330 1.00 0.00 N ATOM 215 CA LEU A 15 1.315 -2.874 5.429 1.00 0.00 C ATOM 216 C LEU A 15 0.568 -3.784 4.464 1.00 0.00 C ATOM 217 O LEU A 15 -0.420 -4.422 4.831 1.00 0.00 O ATOM 218 CB LEU A 15 0.983 -1.408 5.135 1.00 0.00 C ATOM 219 CG LEU A 15 0.881 -0.509 6.368 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.490 0.905 5.964 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.120 -1.079 7.361 1.00 0.00 C ATOM 0 H LEU A 15 3.288 -2.274 5.057 1.00 0.00 H new ATOM 0 HA LEU A 15 0.998 -3.109 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.748 -1.004 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.037 -1.367 4.594 1.00 0.00 H new ATOM 0 HG LEU A 15 1.858 -0.471 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.422 1.532 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.244 1.312 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.476 0.885 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.180 -0.427 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.101 -1.147 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.202 -2.072 7.673 1.00 0.00 H new ATOM 233 N LEU A 16 1.056 -3.849 3.232 1.00 0.00 N ATOM 234 CA LEU A 16 0.447 -4.689 2.212 1.00 0.00 C ATOM 235 C LEU A 16 0.520 -6.152 2.625 1.00 0.00 C ATOM 236 O LEU A 16 -0.422 -6.917 2.420 1.00 0.00 O ATOM 237 CB LEU A 16 1.151 -4.483 0.871 1.00 0.00 C ATOM 238 CG LEU A 16 0.708 -3.242 0.090 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.900 -2.351 -0.230 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.018 -3.643 -1.187 1.00 0.00 C ATOM 0 H LEU A 16 1.874 -3.328 2.916 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.601 -4.407 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.225 -4.418 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.983 -5.363 0.251 1.00 0.00 H new ATOM 0 HG LEU A 16 0.017 -2.676 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.562 -1.476 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.375 -2.031 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.619 -2.907 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.325 -2.748 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.649 -4.235 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.899 -4.234 -0.935 1.00 0.00 H new ATOM 252 N THR A 17 1.645 -6.535 3.223 1.00 0.00 N ATOM 253 CA THR A 17 1.835 -7.906 3.677 1.00 0.00 C ATOM 254 C THR A 17 0.752 -8.281 4.679 1.00 0.00 C ATOM 255 O THR A 17 0.176 -9.366 4.615 1.00 0.00 O ATOM 256 CB THR A 17 3.218 -8.068 4.311 1.00 0.00 C ATOM 257 OG1 THR A 17 4.229 -7.597 3.437 1.00 0.00 O ATOM 258 CG2 THR A 17 3.551 -9.501 4.665 1.00 0.00 C ATOM 0 H THR A 17 2.435 -5.916 3.403 1.00 0.00 H new ATOM 0 HA THR A 17 1.765 -8.572 2.817 1.00 0.00 H new ATOM 0 HB THR A 17 3.184 -7.482 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.366 -6.638 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.545 -9.544 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.818 -9.880 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.530 -10.113 3.763 1.00 0.00 H new ATOM 266 N LYS A 18 0.474 -7.363 5.597 1.00 0.00 N ATOM 267 CA LYS A 18 -0.550 -7.579 6.610 1.00 0.00 C ATOM 268 C LYS A 18 -1.937 -7.603 5.976 1.00 0.00 C ATOM 269 O LYS A 18 -2.835 -8.300 6.445 1.00 0.00 O ATOM 270 CB LYS A 18 -0.481 -6.484 7.677 1.00 0.00 C ATOM 271 CG LYS A 18 -0.742 -6.990 9.088 1.00 0.00 C ATOM 272 CD LYS A 18 -1.936 -6.293 9.720 1.00 0.00 C ATOM 273 CE LYS A 18 -1.521 -5.027 10.452 1.00 0.00 C ATOM 274 NZ LYS A 18 -2.480 -3.911 10.221 1.00 0.00 N ATOM 0 H LYS A 18 0.945 -6.460 5.660 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.366 -8.545 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.504 -6.018 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.209 -5.709 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.919 -8.065 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.143 -6.827 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.664 -6.045 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.428 -6.972 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.453 -5.231 11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.527 -4.726 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.248 -3.118 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.415 -3.596 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.447 -4.239 10.417 1.00 0.00 H new ATOM 288 N ARG A 19 -2.103 -6.831 4.903 1.00 0.00 N ATOM 289 CA ARG A 19 -3.382 -6.759 4.203 1.00 0.00 C ATOM 290 C ARG A 19 -3.489 -7.831 3.115 1.00 0.00 C ATOM 291 O ARG A 19 -4.533 -7.974 2.479 1.00 0.00 O ATOM 292 CB ARG A 19 -3.563 -5.369 3.585 1.00 0.00 C ATOM 293 CG ARG A 19 -4.554 -4.494 4.335 1.00 0.00 C ATOM 294 CD ARG A 19 -3.894 -3.768 5.496 1.00 0.00 C ATOM 295 NE ARG A 19 -3.908 -2.318 5.314 1.00 0.00 N ATOM 296 CZ ARG A 19 -3.748 -1.443 6.305 1.00 0.00 C ATOM 297 NH1 ARG A 19 -3.562 -1.866 7.550 1.00 0.00 N ATOM 298 NH2 ARG A 19 -3.776 -0.143 6.051 1.00 0.00 N ATOM 0 H ARG A 19 -1.369 -6.248 4.501 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.172 -6.940 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.597 -4.865 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.897 -5.480 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.988 -3.766 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.373 -5.109 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.409 -4.022 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.864 -4.110 5.600 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.049 -1.954 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.541 -2.866 7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.440 -1.191 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.920 0.187 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.654 0.528 6.810 1.00 0.00 H new ATOM 312 N ASN A 20 -2.409 -8.580 2.904 1.00 0.00 N ATOM 313 CA ASN A 20 -2.394 -9.632 1.894 1.00 0.00 C ATOM 314 C ASN A 20 -2.607 -9.050 0.500 1.00 0.00 C ATOM 315 O ASN A 20 -3.371 -9.590 -0.301 1.00 0.00 O ATOM 316 CB ASN A 20 -3.472 -10.675 2.197 1.00 0.00 C ATOM 317 CG ASN A 20 -2.971 -11.775 3.112 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.198 -11.743 4.322 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.285 -12.756 2.539 1.00 0.00 N ATOM 0 H ASN A 20 -1.535 -8.477 3.419 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.417 -10.114 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.329 -10.184 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.821 -11.114 1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.923 -13.523 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.120 -12.743 1.533 1.00 0.00 H new ATOM 326 N LEU A 21 -1.924 -7.946 0.215 1.00 0.00 N ATOM 327 CA LEU A 21 -2.036 -7.290 -1.083 1.00 0.00 C ATOM 328 C LEU A 21 -0.780 -7.517 -1.919 1.00 0.00 C ATOM 329 O LEU A 21 0.244 -7.970 -1.408 1.00 0.00 O ATOM 330 CB LEU A 21 -2.278 -5.791 -0.898 1.00 0.00 C ATOM 331 CG LEU A 21 -3.641 -5.422 -0.312 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.653 -3.969 0.138 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.745 -5.676 -1.329 1.00 0.00 C ATOM 0 H LEU A 21 -1.287 -7.487 0.866 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.884 -7.726 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.500 -5.391 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.170 -5.299 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.824 -6.052 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.631 -3.724 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.888 -3.818 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.448 -3.322 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.708 -5.408 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.567 -5.071 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.752 -6.731 -1.603 1.00 0.00 H new ATOM 345 N SER A 22 -0.868 -7.200 -3.206 1.00 0.00 N ATOM 346 CA SER A 22 0.261 -7.370 -4.115 1.00 0.00 C ATOM 347 C SER A 22 1.258 -6.224 -3.968 1.00 0.00 C ATOM 348 O SER A 22 0.898 -5.055 -4.103 1.00 0.00 O ATOM 349 CB SER A 22 -0.231 -7.455 -5.562 1.00 0.00 C ATOM 350 OG SER A 22 -0.153 -8.783 -6.050 1.00 0.00 O ATOM 0 H SER A 22 -1.709 -6.824 -3.644 1.00 0.00 H new ATOM 0 HA SER A 22 0.767 -8.300 -3.856 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.261 -7.103 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.367 -6.797 -6.192 1.00 0.00 H new ATOM 0 HG SER A 22 -0.474 -8.811 -6.975 1.00 0.00 H new ATOM 356 N VAL A 23 2.511 -6.569 -3.691 1.00 0.00 N ATOM 357 CA VAL A 23 3.561 -5.570 -3.527 1.00 0.00 C ATOM 358 C VAL A 23 4.499 -5.544 -4.731 1.00 0.00 C ATOM 359 O VAL A 23 5.620 -5.044 -4.643 1.00 0.00 O ATOM 360 CB VAL A 23 4.389 -5.832 -2.254 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.561 -5.550 -1.011 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.912 -7.260 -2.243 1.00 0.00 C ATOM 0 H VAL A 23 2.824 -7.533 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 23 3.063 -4.604 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 23 5.244 -5.156 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.162 -5.741 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.241 -4.508 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.685 -6.199 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.494 -7.427 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.073 -7.955 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.544 -7.423 -3.116 1.00 0.00 H new ATOM 372 N GLY A 24 4.038 -6.086 -5.854 1.00 0.00 N ATOM 373 CA GLY A 24 4.855 -6.113 -7.053 1.00 0.00 C ATOM 374 C GLY A 24 4.918 -4.765 -7.747 1.00 0.00 C ATOM 375 O GLY A 24 5.916 -4.437 -8.389 1.00 0.00 O ATOM 0 H GLY A 24 3.114 -6.507 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.865 -6.431 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.455 -6.855 -7.744 1.00 0.00 H new ATOM 379 N GLY A 25 3.852 -3.983 -7.616 1.00 0.00 N ATOM 380 CA GLY A 25 3.811 -2.674 -8.240 1.00 0.00 C ATOM 381 C GLY A 25 4.755 -1.686 -7.584 1.00 0.00 C ATOM 382 O GLY A 25 5.281 -1.945 -6.501 1.00 0.00 O ATOM 0 H GLY A 25 3.015 -4.233 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.067 -2.770 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.794 -2.285 -8.193 1.00 0.00 H new ATOM 386 N LEU A 26 4.972 -0.551 -8.240 1.00 0.00 N ATOM 387 CA LEU A 26 5.860 0.480 -7.714 1.00 0.00 C ATOM 388 C LEU A 26 5.268 1.118 -6.462 1.00 0.00 C ATOM 389 O LEU A 26 4.117 0.865 -6.109 1.00 0.00 O ATOM 390 CB LEU A 26 6.116 1.553 -8.774 1.00 0.00 C ATOM 391 CG LEU A 26 6.993 1.109 -9.946 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.137 0.546 -11.069 1.00 0.00 C ATOM 393 CD2 LEU A 26 7.840 2.269 -10.447 1.00 0.00 C ATOM 0 H LEU A 26 4.545 -0.321 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 26 6.806 0.009 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.157 1.891 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.585 2.412 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 26 7.662 0.322 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.778 0.235 -11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.575 -0.313 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.443 1.312 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.458 1.935 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.189 3.078 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.481 2.626 -9.641 1.00 0.00 H new ATOM 405 N LYS A 27 6.063 1.949 -5.792 1.00 0.00 N ATOM 406 CA LYS A 27 5.621 2.626 -4.576 1.00 0.00 C ATOM 407 C LYS A 27 4.250 3.268 -4.770 1.00 0.00 C ATOM 408 O LYS A 27 3.354 3.107 -3.941 1.00 0.00 O ATOM 409 CB LYS A 27 6.639 3.690 -4.161 1.00 0.00 C ATOM 410 CG LYS A 27 6.690 3.931 -2.662 1.00 0.00 C ATOM 411 CD LYS A 27 7.680 5.028 -2.307 1.00 0.00 C ATOM 412 CE LYS A 27 7.168 5.896 -1.169 1.00 0.00 C ATOM 413 NZ LYS A 27 6.195 6.918 -1.643 1.00 0.00 N ATOM 0 H LYS A 27 7.019 2.170 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 27 5.541 1.878 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.628 3.389 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.398 4.627 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.698 4.205 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.970 3.008 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.633 4.581 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.866 5.649 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.694 5.265 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.009 6.393 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.883 7.500 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.649 7.526 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.372 6.444 -2.067 1.00 0.00 H new ATOM 427 N ASN A 28 4.090 3.993 -5.873 1.00 0.00 N ATOM 428 CA ASN A 28 2.827 4.653 -6.175 1.00 0.00 C ATOM 429 C ASN A 28 1.704 3.629 -6.308 1.00 0.00 C ATOM 430 O ASN A 28 0.556 3.896 -5.946 1.00 0.00 O ATOM 431 CB ASN A 28 2.949 5.484 -7.457 1.00 0.00 C ATOM 432 CG ASN A 28 2.965 4.630 -8.711 1.00 0.00 C ATOM 433 OD1 ASN A 28 1.795 4.144 -9.108 1.00 0.00 O flip ATOM 434 ND2 ASN A 28 4.015 4.410 -9.314 1.00 0.00 N flip ATOM 0 H ASN A 28 4.819 4.138 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 28 2.585 5.323 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.116 6.185 -7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.863 6.077 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.892 4.804 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.009 3.833 -10.155 1.00 0.00 H new ATOM 441 N GLU A 29 2.045 2.451 -6.824 1.00 0.00 N ATOM 442 CA GLU A 29 1.070 1.383 -6.997 1.00 0.00 C ATOM 443 C GLU A 29 0.639 0.850 -5.640 1.00 0.00 C ATOM 444 O GLU A 29 -0.523 0.499 -5.434 1.00 0.00 O ATOM 445 CB GLU A 29 1.659 0.253 -7.845 1.00 0.00 C ATOM 446 CG GLU A 29 1.257 0.319 -9.309 1.00 0.00 C ATOM 447 CD GLU A 29 -0.209 0.000 -9.527 1.00 0.00 C ATOM 448 OE1 GLU A 29 -0.653 -1.081 -9.088 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.914 0.834 -10.134 1.00 0.00 O ATOM 0 H GLU A 29 2.989 2.214 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 29 0.199 1.785 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.746 0.285 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.340 -0.704 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.469 1.316 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.866 -0.381 -9.881 1.00 0.00 H new ATOM 456 N LEU A 30 1.587 0.810 -4.712 1.00 0.00 N ATOM 457 CA LEU A 30 1.318 0.339 -3.363 1.00 0.00 C ATOM 458 C LEU A 30 0.385 1.307 -2.647 1.00 0.00 C ATOM 459 O LEU A 30 -0.499 0.898 -1.894 1.00 0.00 O ATOM 460 CB LEU A 30 2.627 0.197 -2.586 1.00 0.00 C ATOM 461 CG LEU A 30 3.691 -0.674 -3.255 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.996 -0.614 -2.476 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.207 -2.111 -3.376 1.00 0.00 C ATOM 0 H LEU A 30 2.552 1.100 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 30 0.835 -0.637 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.044 1.191 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.404 -0.220 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 30 3.871 -0.287 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.742 -1.240 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.352 0.416 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.831 -0.975 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.978 -2.715 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.998 -2.509 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.298 -2.139 -3.977 1.00 0.00 H new ATOM 475 N VAL A 31 0.590 2.596 -2.897 1.00 0.00 N ATOM 476 CA VAL A 31 -0.230 3.635 -2.289 1.00 0.00 C ATOM 477 C VAL A 31 -1.671 3.540 -2.775 1.00 0.00 C ATOM 478 O VAL A 31 -2.610 3.572 -1.980 1.00 0.00 O ATOM 479 CB VAL A 31 0.321 5.038 -2.609 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.513 6.118 -1.932 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.781 5.143 -2.195 1.00 0.00 C ATOM 0 H VAL A 31 1.319 2.946 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.201 3.481 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 31 0.257 5.192 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.103 7.099 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.542 6.058 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.491 5.971 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.154 6.140 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.869 4.964 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.367 4.400 -2.736 1.00 0.00 H new ATOM 491 N GLN A 32 -1.834 3.421 -4.085 1.00 0.00 N ATOM 492 CA GLN A 32 -3.159 3.317 -4.685 1.00 0.00 C ATOM 493 C GLN A 32 -3.868 2.053 -4.214 1.00 0.00 C ATOM 494 O GLN A 32 -5.080 2.053 -4.002 1.00 0.00 O ATOM 495 CB GLN A 32 -3.053 3.319 -6.211 1.00 0.00 C ATOM 496 CG GLN A 32 -3.114 4.708 -6.824 1.00 0.00 C ATOM 497 CD GLN A 32 -3.568 4.688 -8.270 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.586 4.083 -8.605 1.00 0.00 O ATOM 499 NE2 GLN A 32 -2.812 5.351 -9.137 1.00 0.00 N ATOM 0 H GLN A 32 -1.065 3.394 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.744 4.181 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.116 2.843 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.860 2.713 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.795 5.328 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.129 5.172 -6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.976 5.839 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.067 5.372 -10.124 1.00 0.00 H new ATOM 508 N ARG A 33 -3.106 0.976 -4.050 1.00 0.00 N ATOM 509 CA ARG A 33 -3.672 -0.289 -3.600 1.00 0.00 C ATOM 510 C ARG A 33 -4.230 -0.149 -2.189 1.00 0.00 C ATOM 511 O ARG A 33 -5.345 -0.587 -1.905 1.00 0.00 O ATOM 512 CB ARG A 33 -2.610 -1.391 -3.638 1.00 0.00 C ATOM 513 CG ARG A 33 -3.184 -2.782 -3.857 1.00 0.00 C ATOM 514 CD ARG A 33 -2.399 -3.552 -4.906 1.00 0.00 C ATOM 515 NE ARG A 33 -2.608 -3.017 -6.249 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.342 -3.692 -7.366 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.856 -4.925 -7.305 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.564 -3.131 -8.547 1.00 0.00 N ATOM 0 H ARG A 33 -2.101 0.954 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.485 -0.562 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.899 -1.171 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.053 -1.380 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.173 -3.333 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.226 -2.702 -4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.337 -3.516 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.696 -4.601 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.979 -2.071 -6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.684 -5.361 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.654 -5.437 -8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.938 -2.184 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.361 -3.647 -9.403 1.00 0.00 H new ATOM 532 N LEU A 34 -3.455 0.482 -1.314 1.00 0.00 N ATOM 533 CA LEU A 34 -3.881 0.700 0.061 1.00 0.00 C ATOM 534 C LEU A 34 -5.049 1.678 0.096 1.00 0.00 C ATOM 535 O LEU A 34 -5.971 1.542 0.900 1.00 0.00 O ATOM 536 CB LEU A 34 -2.722 1.236 0.903 1.00 0.00 C ATOM 537 CG LEU A 34 -1.747 0.172 1.411 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.326 0.714 1.427 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.153 -0.304 2.797 1.00 0.00 C ATOM 0 H LEU A 34 -2.530 0.851 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.202 -0.253 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.167 1.963 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.132 1.771 1.760 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.782 -0.679 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.353 -0.057 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.036 1.005 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.275 1.582 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.449 -1.061 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.148 0.539 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.154 -0.733 2.756 1.00 0.00 H new ATOM 551 N ILE A 35 -4.997 2.663 -0.796 1.00 0.00 N ATOM 552 CA ILE A 35 -6.040 3.674 -0.894 1.00 0.00 C ATOM 553 C ILE A 35 -7.355 3.053 -1.357 1.00 0.00 C ATOM 554 O ILE A 35 -8.424 3.378 -0.838 1.00 0.00 O ATOM 555 CB ILE A 35 -5.622 4.799 -1.868 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.465 5.607 -1.276 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.798 5.712 -2.191 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.617 6.301 -2.319 1.00 0.00 C ATOM 0 H ILE A 35 -4.236 2.781 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.183 4.102 0.098 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.291 4.337 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.867 6.353 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.832 4.943 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.474 6.494 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.595 5.129 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.168 6.167 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.817 6.854 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.186 5.558 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.237 6.991 -2.891 1.00 0.00 H new ATOM 570 N LYS A 36 -7.271 2.159 -2.338 1.00 0.00 N ATOM 571 CA LYS A 36 -8.455 1.494 -2.868 1.00 0.00 C ATOM 572 C LYS A 36 -9.089 0.591 -1.814 1.00 0.00 C ATOM 573 O LYS A 36 -10.309 0.573 -1.651 1.00 0.00 O ATOM 574 CB LYS A 36 -8.094 0.675 -4.109 1.00 0.00 C ATOM 575 CG LYS A 36 -7.945 1.514 -5.369 1.00 0.00 C ATOM 576 CD LYS A 36 -8.564 0.825 -6.575 1.00 0.00 C ATOM 577 CE LYS A 36 -8.388 1.649 -7.839 1.00 0.00 C ATOM 578 NZ LYS A 36 -9.301 1.202 -8.926 1.00 0.00 N ATOM 0 H LYS A 36 -6.396 1.879 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.178 2.261 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.161 0.143 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.864 -0.079 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.420 2.484 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.888 1.702 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.105 -0.154 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.626 0.657 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.576 2.699 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.355 1.575 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.149 1.790 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.105 0.207 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.288 1.296 -8.611 1.00 0.00 H new ATOM 592 N ASP A 37 -8.251 -0.154 -1.100 1.00 0.00 N ATOM 593 CA ASP A 37 -8.730 -1.058 -0.061 1.00 0.00 C ATOM 594 C ASP A 37 -9.408 -0.282 1.064 1.00 0.00 C ATOM 595 O ASP A 37 -10.446 -0.698 1.580 1.00 0.00 O ATOM 596 CB ASP A 37 -7.570 -1.883 0.501 1.00 0.00 C ATOM 597 CG ASP A 37 -7.359 -3.177 -0.260 1.00 0.00 C ATOM 598 OD1 ASP A 37 -7.636 -4.253 0.312 1.00 0.00 O ATOM 599 OD2 ASP A 37 -6.919 -3.116 -1.427 1.00 0.00 O ATOM 0 H ASP A 37 -7.238 -0.149 -1.222 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.462 -1.730 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.656 -1.291 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.763 -2.109 1.550 1.00 0.00 H new ATOM 604 N ASP A 38 -8.816 0.847 1.438 1.00 0.00 N ATOM 605 CA ASP A 38 -9.363 1.682 2.502 1.00 0.00 C ATOM 606 C ASP A 38 -10.642 2.374 2.047 1.00 0.00 C ATOM 607 O ASP A 38 -11.609 2.476 2.801 1.00 0.00 O ATOM 608 CB ASP A 38 -8.332 2.724 2.942 1.00 0.00 C ATOM 609 CG ASP A 38 -7.511 2.259 4.128 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.545 2.938 5.176 1.00 0.00 O ATOM 611 OD2 ASP A 38 -6.834 1.216 4.010 1.00 0.00 O ATOM 0 H ASP A 38 -7.957 1.205 1.020 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.602 1.039 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.667 2.947 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.844 3.652 3.199 1.00 0.00 H new ATOM 616 N GLU A 39 -10.639 2.849 0.807 1.00 0.00 N ATOM 617 CA GLU A 39 -11.798 3.533 0.246 1.00 0.00 C ATOM 618 C GLU A 39 -12.945 2.556 0.012 1.00 0.00 C ATOM 619 O GLU A 39 -14.108 2.880 0.250 1.00 0.00 O ATOM 620 CB GLU A 39 -11.423 4.225 -1.066 1.00 0.00 C ATOM 621 CG GLU A 39 -10.960 5.662 -0.887 1.00 0.00 C ATOM 622 CD GLU A 39 -10.762 6.379 -2.207 1.00 0.00 C ATOM 623 OE1 GLU A 39 -9.685 6.984 -2.399 1.00 0.00 O ATOM 624 OE2 GLU A 39 -11.683 6.338 -3.051 1.00 0.00 O ATOM 0 H GLU A 39 -9.846 2.773 0.170 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.127 4.285 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.632 3.656 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.284 4.210 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.693 6.204 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.024 5.671 -0.329 1.00 0.00 H new ATOM 631 N GLU A 40 -12.607 1.361 -0.457 1.00 0.00 N ATOM 632 CA GLU A 40 -13.606 0.333 -0.726 1.00 0.00 C ATOM 633 C GLU A 40 -14.252 -0.150 0.568 1.00 0.00 C ATOM 634 O GLU A 40 -15.456 -0.401 0.617 1.00 0.00 O ATOM 635 CB GLU A 40 -12.970 -0.846 -1.464 1.00 0.00 C ATOM 636 CG GLU A 40 -12.978 -0.693 -2.977 1.00 0.00 C ATOM 637 CD GLU A 40 -13.649 -1.858 -3.679 1.00 0.00 C ATOM 638 OE1 GLU A 40 -14.611 -1.619 -4.438 1.00 0.00 O ATOM 639 OE2 GLU A 40 -13.210 -3.008 -3.470 1.00 0.00 O ATOM 0 H GLU A 40 -11.648 1.079 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.381 0.771 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.941 -0.964 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.500 -1.760 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.492 0.231 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.952 -0.601 -3.334 1.00 0.00 H new ATOM 646 N SER A 41 -13.443 -0.277 1.612 1.00 0.00 N ATOM 647 CA SER A 41 -13.932 -0.731 2.909 1.00 0.00 C ATOM 648 C SER A 41 -14.904 0.280 3.509 1.00 0.00 C ATOM 649 O SER A 41 -15.863 -0.092 4.185 1.00 0.00 O ATOM 650 CB SER A 41 -12.762 -0.962 3.867 1.00 0.00 C ATOM 651 OG SER A 41 -12.067 -2.155 3.547 1.00 0.00 O ATOM 0 H SER A 41 -12.444 -0.072 1.587 1.00 0.00 H new ATOM 0 HA SER A 41 -14.461 -1.672 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.077 -0.115 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.132 -1.017 4.891 1.00 0.00 H new ATOM 0 HG SER A 41 -11.400 -1.969 2.854 1.00 0.00 H new ATOM 657 N LYS A 42 -14.647 1.559 3.258 1.00 0.00 N ATOM 658 CA LYS A 42 -15.500 2.625 3.773 1.00 0.00 C ATOM 659 C LYS A 42 -16.642 2.942 2.807 1.00 0.00 C ATOM 660 O LYS A 42 -17.386 3.900 3.011 1.00 0.00 O ATOM 661 CB LYS A 42 -14.674 3.887 4.032 1.00 0.00 C ATOM 662 CG LYS A 42 -14.049 4.474 2.776 1.00 0.00 C ATOM 663 CD LYS A 42 -13.098 5.614 3.107 1.00 0.00 C ATOM 664 CE LYS A 42 -13.689 6.963 2.729 1.00 0.00 C ATOM 665 NZ LYS A 42 -14.362 7.619 3.885 1.00 0.00 N ATOM 0 H LYS A 42 -13.856 1.883 2.702 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.934 2.278 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.311 4.639 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.884 3.654 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.510 3.694 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.834 4.835 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.871 5.601 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.156 5.468 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.899 7.613 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.406 6.831 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.751 8.536 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.133 7.011 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.672 7.769 4.649 1.00 0.00 H new ATOM 679 N GLY A 43 -16.778 2.135 1.757 1.00 0.00 N ATOM 680 CA GLY A 43 -17.832 2.357 0.786 1.00 0.00 C ATOM 681 C GLY A 43 -19.183 1.872 1.275 1.00 0.00 C ATOM 682 O GLY A 43 -19.282 1.256 2.336 1.00 0.00 O ATOM 0 H GLY A 43 -16.178 1.334 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.893 3.421 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.580 1.845 -0.143 1.00 0.00 H new ATOM 686 N GLU A 44 -20.226 2.151 0.500 1.00 0.00 N ATOM 687 CA GLU A 44 -21.578 1.738 0.860 1.00 0.00 C ATOM 688 C GLU A 44 -22.153 0.784 -0.183 1.00 0.00 C ATOM 689 O GLU A 44 -21.643 0.687 -1.299 1.00 0.00 O ATOM 690 CB GLU A 44 -22.485 2.962 1.001 1.00 0.00 C ATOM 691 CG GLU A 44 -23.502 2.838 2.126 1.00 0.00 C ATOM 692 CD GLU A 44 -23.279 3.852 3.230 1.00 0.00 C ATOM 693 OE1 GLU A 44 -23.653 5.028 3.041 1.00 0.00 O ATOM 694 OE2 GLU A 44 -22.730 3.470 4.285 1.00 0.00 O ATOM 0 H GLU A 44 -20.161 2.661 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 44 -21.529 1.216 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.868 3.843 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -23.013 3.123 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -24.505 2.965 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -23.453 1.833 2.546 1.00 0.00 H new ATOM 701 N SER A 45 -23.217 0.080 0.191 1.00 0.00 N ATOM 702 CA SER A 45 -23.863 -0.866 -0.710 1.00 0.00 C ATOM 703 C SER A 45 -22.898 -1.971 -1.125 1.00 0.00 C ATOM 704 O SER A 45 -21.681 -1.823 -1.009 1.00 0.00 O ATOM 705 CB SER A 45 -24.391 -0.144 -1.951 1.00 0.00 C ATOM 706 OG SER A 45 -25.554 -0.777 -2.453 1.00 0.00 O ATOM 0 H SER A 45 -23.650 0.147 1.112 1.00 0.00 H new ATOM 0 HA SER A 45 -24.699 -1.319 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.616 0.893 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.620 -0.128 -2.722 1.00 0.00 H new ATOM 0 HG SER A 45 -25.873 -0.295 -3.245 1.00 0.00 H new ATOM 712 N GLU A 46 -23.449 -3.079 -1.611 1.00 0.00 N ATOM 713 CA GLU A 46 -22.638 -4.211 -2.045 1.00 0.00 C ATOM 714 C GLU A 46 -22.956 -4.584 -3.490 1.00 0.00 C ATOM 715 O GLU A 46 -23.876 -4.034 -4.096 1.00 0.00 O ATOM 716 CB GLU A 46 -22.873 -5.415 -1.132 1.00 0.00 C ATOM 717 CG GLU A 46 -22.311 -5.236 0.269 1.00 0.00 C ATOM 718 CD GLU A 46 -23.344 -4.720 1.251 1.00 0.00 C ATOM 719 OE1 GLU A 46 -23.988 -3.694 0.949 1.00 0.00 O ATOM 720 OE2 GLU A 46 -23.509 -5.343 2.321 1.00 0.00 O ATOM 0 H GLU A 46 -24.454 -3.217 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 46 -21.590 -3.919 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -23.944 -5.604 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.422 -6.298 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.922 -6.190 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.471 -4.542 0.233 1.00 0.00 H new ATOM 727 N VAL A 47 -22.188 -5.522 -4.037 1.00 0.00 N ATOM 728 CA VAL A 47 -22.389 -5.968 -5.411 1.00 0.00 C ATOM 729 C VAL A 47 -22.702 -7.460 -5.463 1.00 0.00 C ATOM 730 O VAL A 47 -21.799 -8.296 -5.458 1.00 0.00 O ATOM 731 CB VAL A 47 -21.150 -5.686 -6.283 1.00 0.00 C ATOM 732 CG1 VAL A 47 -21.101 -4.219 -6.681 1.00 0.00 C ATOM 733 CG2 VAL A 47 -19.877 -6.090 -5.554 1.00 0.00 C ATOM 0 H VAL A 47 -21.422 -5.987 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 47 -23.236 -5.405 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 47 -21.225 -6.284 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.220 -4.038 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -21.997 -3.966 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.051 -3.600 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -19.014 -5.883 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -19.792 -5.522 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.911 -7.155 -5.325 1.00 0.00 H new ATOM 743 N SER A 48 -23.989 -7.786 -5.513 1.00 0.00 N ATOM 744 CA SER A 48 -24.423 -9.178 -5.564 1.00 0.00 C ATOM 745 C SER A 48 -24.620 -9.640 -7.009 1.00 0.00 C ATOM 746 O SER A 48 -24.043 -10.643 -7.430 1.00 0.00 O ATOM 747 CB SER A 48 -25.719 -9.362 -4.771 1.00 0.00 C ATOM 748 OG SER A 48 -25.508 -10.176 -3.631 1.00 0.00 O ATOM 0 H SER A 48 -24.749 -7.106 -5.519 1.00 0.00 H new ATOM 0 HA SER A 48 -23.642 -9.790 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 -26.101 -8.389 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.478 -9.814 -5.409 1.00 0.00 H new ATOM 0 HG SER A 48 -26.350 -10.277 -3.141 1.00 0.00 H new ATOM 754 N PRO A 49 -25.440 -8.913 -7.791 1.00 0.00 N ATOM 755 CA PRO A 49 -25.704 -9.262 -9.191 1.00 0.00 C ATOM 756 C PRO A 49 -24.421 -9.397 -10.005 1.00 0.00 C ATOM 757 O PRO A 49 -23.349 -8.982 -9.567 1.00 0.00 O ATOM 758 CB PRO A 49 -26.540 -8.085 -9.705 1.00 0.00 C ATOM 759 CG PRO A 49 -27.164 -7.501 -8.486 1.00 0.00 C ATOM 760 CD PRO A 49 -26.171 -7.702 -7.376 1.00 0.00 C ATOM 0 HA PRO A 49 -26.204 -10.226 -9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -25.918 -7.353 -10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -27.296 -8.418 -10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -27.382 -6.442 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -28.109 -7.993 -8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -25.505 -6.846 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -26.665 -7.840 -6.414 1.00 0.00 H new ATOM 768 N GLN A 50 -24.541 -9.979 -11.194 1.00 0.00 N ATOM 769 CA GLN A 50 -23.391 -10.168 -12.071 1.00 0.00 C ATOM 770 C GLN A 50 -23.835 -10.355 -13.518 1.00 0.00 C ATOM 771 O GLN A 50 -24.433 -11.409 -13.822 1.00 0.00 O ATOM 772 CB GLN A 50 -22.569 -11.376 -11.617 1.00 0.00 C ATOM 773 CG GLN A 50 -21.074 -11.211 -11.834 1.00 0.00 C ATOM 774 CD GLN A 50 -20.561 -12.018 -13.011 1.00 0.00 C ATOM 775 OE1 GLN A 50 -20.749 -11.639 -14.167 1.00 0.00 O ATOM 776 NE2 GLN A 50 -19.910 -13.138 -12.721 1.00 0.00 N ATOM 777 OXT GLN A 50 -23.582 -9.446 -14.336 1.00 0.00 O ATOM 0 H GLN A 50 -25.422 -10.328 -11.572 1.00 0.00 H new ATOM 0 HA GLN A 50 -22.771 -9.273 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -22.756 -11.555 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -22.910 -12.260 -12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.849 -10.157 -11.996 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.544 -11.515 -10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -19.777 -13.413 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.542 -13.723 -13.471 1.00 0.00 H new TER 786 GLN A 50