USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 618 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 69 ASN : amide:sc= -0.23 K(o=0.79,f=-1.8!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -169:sc= 1.02 (180deg=0.845) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-3.7!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0.00658 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -3.79! C(o=-7.4!,f=-17!) USER MOD Set 3.2: A 43 MET CE :methyl -169:sc= -3.57 (180deg=-3.01!) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= 1.75 (180deg=1.34) USER MOD Single : A 5 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.12) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.127 USER MOD Single : A 10 TYR OH : rot 115:sc= 1.6 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 17 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -75:sc= 1.28 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.0849 USER MOD Single : A 24 ASN : amide:sc= 0.3 X(o=0.3,f=-0.1) USER MOD Single : A 27 THR OG1 : rot -37:sc= 0.135 USER MOD Single : A 28 SER OG : rot -167:sc= -0.519 USER MOD Single : A 29 SER OG : rot -1:sc= 0.692 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -1.88 (180deg=-2.73!) USER MOD Single : A 38 THR OG1 : rot 28:sc= 1.11 USER MOD Single : A 44 THR OG1 : rot -13:sc= 0.67 USER MOD Single : A 50 SER OG : rot 44:sc= 1.4 USER MOD Single : A 54 TYR OH : rot -30:sc= -0.0565 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= -0.753 (180deg=-4.38!) USER MOD Single : A 63 SER OG : rot 100:sc= 1.33 USER MOD Single : A 65 SER OG : rot 180:sc= 0.151 USER MOD Single : A 70 THR OG1 : rot 40:sc= 0.829 USER MOD Single : A 73 GLN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.155 K(o=0.16,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= 0.106! (180deg=-4.15!) USER MOD Single : A 81 SER OG : rot -111:sc= 0.857 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0.98) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.545 1.260 10.733 1.00 0.00 N ATOM 36 CA LEU A 3 -0.660 2.182 10.108 1.00 0.00 C ATOM 37 C LEU A 3 0.602 2.051 10.936 1.00 0.00 C ATOM 38 O LEU A 3 0.586 1.508 12.053 1.00 0.00 O ATOM 39 CB LEU A 3 -1.148 3.618 10.287 1.00 0.00 C ATOM 40 CG LEU A 3 -2.063 4.073 9.150 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.419 5.538 9.399 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.303 4.062 7.842 1.00 0.00 C ATOM 0 HA LEU A 3 -0.555 1.983 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.682 3.701 11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.288 4.285 10.346 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.933 3.418 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.073 5.894 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.930 5.630 10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.508 6.136 9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.961 4.387 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.451 4.739 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.948 3.052 7.636 1.00 0.00 H new ATOM 54 N LYS A 4 1.703 2.547 10.408 1.00 0.00 N ATOM 55 CA LYS A 4 2.988 2.204 10.930 1.00 0.00 C ATOM 56 C LYS A 4 3.947 3.368 10.875 1.00 0.00 C ATOM 57 O LYS A 4 3.576 4.513 10.650 1.00 0.00 O ATOM 58 CB LYS A 4 3.464 0.882 10.348 1.00 0.00 C ATOM 59 CG LYS A 4 3.774 -0.112 11.462 1.00 0.00 C ATOM 60 CD LYS A 4 2.601 -1.003 11.897 1.00 0.00 C ATOM 61 CE LYS A 4 2.537 -1.384 13.374 1.00 0.00 C ATOM 62 NZ LYS A 4 2.057 -2.780 13.484 1.00 0.00 N ATOM 0 H LYS A 4 1.722 3.190 9.616 1.00 0.00 H new ATOM 0 HA LYS A 4 2.921 2.010 12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.699 0.472 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.354 1.045 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.593 -0.753 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.129 0.442 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.673 -0.494 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.636 -1.921 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.521 -1.286 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.867 -0.711 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.720 -2.956 14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.278 -2.933 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.836 -3.433 13.265 1.00 0.00 H new ATOM 76 N HIS A 5 5.176 3.045 11.224 1.00 0.00 N ATOM 77 CA HIS A 5 6.341 3.896 11.067 1.00 0.00 C ATOM 78 C HIS A 5 7.120 3.550 9.827 1.00 0.00 C ATOM 79 O HIS A 5 7.926 4.314 9.310 1.00 0.00 O ATOM 80 CB HIS A 5 7.257 3.786 12.285 1.00 0.00 C ATOM 81 CG HIS A 5 6.619 3.161 13.495 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.584 3.671 14.247 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.764 1.842 13.807 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.116 2.667 15.009 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.792 1.532 14.766 1.00 0.00 N ATOM 0 H HIS A 5 5.401 2.143 11.643 1.00 0.00 H new ATOM 0 HA HIS A 5 5.979 4.920 10.973 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.135 3.201 12.011 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.608 4.783 12.550 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.493 1.162 13.392 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.308 2.760 15.719 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.629 0.622 15.196 1.00 0.00 H new ATOM 93 N SER A 6 6.898 2.320 9.440 1.00 0.00 N ATOM 94 CA SER A 6 7.659 1.581 8.537 1.00 0.00 C ATOM 95 C SER A 6 6.790 0.565 7.887 1.00 0.00 C ATOM 96 O SER A 6 5.985 -0.118 8.526 1.00 0.00 O ATOM 97 CB SER A 6 8.726 0.818 9.281 1.00 0.00 C ATOM 98 OG SER A 6 8.577 0.786 10.697 1.00 0.00 O ATOM 0 H SER A 6 6.104 1.787 9.796 1.00 0.00 H new ATOM 0 HA SER A 6 8.097 2.263 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.741 -0.207 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.695 1.257 9.044 1.00 0.00 H new ATOM 0 HG SER A 6 9.311 0.270 11.092 1.00 0.00 H new ATOM 104 N ILE A 7 7.231 0.266 6.689 1.00 0.00 N ATOM 105 CA ILE A 7 6.822 -0.870 5.915 1.00 0.00 C ATOM 106 C ILE A 7 7.078 -2.224 6.567 1.00 0.00 C ATOM 107 O ILE A 7 6.889 -3.283 5.970 1.00 0.00 O ATOM 108 CB ILE A 7 7.566 -0.722 4.590 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.579 -0.982 3.474 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.919 -1.450 4.520 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.815 -2.228 2.667 1.00 0.00 C ATOM 0 H ILE A 7 7.921 0.842 6.207 1.00 0.00 H new ATOM 0 HA ILE A 7 5.738 -0.871 5.800 1.00 0.00 H new ATOM 0 HB ILE A 7 7.925 0.301 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.579 -1.035 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.590 -0.127 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.370 -1.286 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.581 -1.063 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.766 -2.518 4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.049 -2.313 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.797 -2.177 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.770 -3.099 3.321 1.00 0.00 H new ATOM 123 N SER A 8 7.632 -2.200 7.762 1.00 0.00 N ATOM 124 CA SER A 8 8.320 -3.253 8.376 1.00 0.00 C ATOM 125 C SER A 8 8.003 -3.300 9.834 1.00 0.00 C ATOM 126 O SER A 8 8.377 -4.290 10.459 1.00 0.00 O ATOM 127 CB SER A 8 9.746 -2.889 8.129 1.00 0.00 C ATOM 128 OG SER A 8 10.368 -2.035 9.070 1.00 0.00 O ATOM 0 H SER A 8 7.595 -1.368 8.351 1.00 0.00 H new ATOM 0 HA SER A 8 8.062 -4.241 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.325 -3.811 8.075 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.809 -2.415 7.149 1.00 0.00 H new ATOM 0 HG SER A 8 11.296 -1.872 8.801 1.00 0.00 H new ATOM 134 N ASP A 9 7.325 -2.257 10.351 1.00 0.00 N ATOM 135 CA ASP A 9 6.633 -2.532 11.604 1.00 0.00 C ATOM 136 C ASP A 9 5.296 -3.184 11.318 1.00 0.00 C ATOM 137 O ASP A 9 4.581 -3.553 12.261 1.00 0.00 O ATOM 138 CB ASP A 9 6.486 -1.362 12.591 1.00 0.00 C ATOM 139 CG ASP A 9 7.374 -1.697 13.789 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.011 -2.679 14.491 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.455 -1.085 13.903 1.00 0.00 O ATOM 0 H ASP A 9 7.247 -1.316 9.965 1.00 0.00 H new ATOM 0 HA ASP A 9 7.294 -3.214 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.793 -0.423 12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.447 -1.241 12.899 1.00 0.00 H new ATOM 146 N TYR A 10 4.964 -3.314 10.026 1.00 0.00 N ATOM 147 CA TYR A 10 3.713 -3.880 9.583 1.00 0.00 C ATOM 148 C TYR A 10 4.030 -5.115 8.745 1.00 0.00 C ATOM 149 O TYR A 10 5.122 -5.212 8.172 1.00 0.00 O ATOM 150 CB TYR A 10 2.813 -2.764 8.995 1.00 0.00 C ATOM 151 CG TYR A 10 2.741 -2.451 7.532 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.811 -2.760 6.698 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.680 -1.658 7.051 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.839 -2.296 5.395 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.745 -1.109 5.760 1.00 0.00 C ATOM 156 CZ TYR A 10 2.868 -1.392 4.952 1.00 0.00 C ATOM 157 OH TYR A 10 3.086 -0.806 3.755 1.00 0.00 O ATOM 0 H TYR A 10 5.573 -3.021 9.262 1.00 0.00 H new ATOM 0 HA TYR A 10 3.079 -4.269 10.380 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.795 -2.991 9.312 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.104 -1.839 9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.624 -3.365 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.818 -1.473 7.674 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.611 -2.632 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.948 -0.480 5.391 1.00 0.00 H new ATOM 0 HH TYR A 10 2.394 -1.089 3.121 1.00 0.00 H new ATOM 167 N THR A 11 3.164 -6.118 8.758 1.00 0.00 N ATOM 168 CA THR A 11 3.341 -7.311 7.936 1.00 0.00 C ATOM 169 C THR A 11 2.824 -7.042 6.520 1.00 0.00 C ATOM 170 O THR A 11 2.346 -5.945 6.222 1.00 0.00 O ATOM 171 CB THR A 11 2.790 -8.573 8.643 1.00 0.00 C ATOM 172 OG1 THR A 11 1.630 -9.117 8.042 1.00 0.00 O ATOM 173 CG2 THR A 11 2.461 -8.458 10.138 1.00 0.00 C ATOM 0 H THR A 11 2.323 -6.130 9.335 1.00 0.00 H new ATOM 0 HA THR A 11 4.399 -7.542 7.812 1.00 0.00 H new ATOM 0 HB THR A 11 3.659 -9.221 8.525 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.344 -9.910 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.085 -9.414 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.362 -8.188 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.702 -7.690 10.285 1.00 0.00 H new ATOM 181 N GLU A 12 2.893 -8.036 5.630 1.00 0.00 N ATOM 182 CA GLU A 12 2.222 -7.904 4.351 1.00 0.00 C ATOM 183 C GLU A 12 0.733 -7.693 4.531 1.00 0.00 C ATOM 184 O GLU A 12 0.161 -6.865 3.847 1.00 0.00 O ATOM 185 CB GLU A 12 2.436 -9.119 3.446 1.00 0.00 C ATOM 186 CG GLU A 12 1.868 -8.769 2.059 1.00 0.00 C ATOM 187 CD GLU A 12 1.982 -9.899 1.046 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.055 -10.536 0.999 1.00 0.00 O ATOM 189 OE2 GLU A 12 1.133 -9.924 0.128 1.00 0.00 O ATOM 0 H GLU A 12 3.393 -8.914 5.772 1.00 0.00 H new ATOM 0 HA GLU A 12 2.667 -7.032 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.496 -9.363 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.934 -9.995 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.819 -8.493 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.390 -7.893 1.673 1.00 0.00 H new ATOM 196 N ALA A 13 0.118 -8.443 5.430 1.00 0.00 N ATOM 197 CA ALA A 13 -1.332 -8.500 5.578 1.00 0.00 C ATOM 198 C ALA A 13 -1.816 -7.140 6.051 1.00 0.00 C ATOM 199 O ALA A 13 -2.820 -6.627 5.582 1.00 0.00 O ATOM 200 CB ALA A 13 -1.720 -9.601 6.570 1.00 0.00 C ATOM 0 H ALA A 13 0.617 -9.040 6.089 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.802 -8.740 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.805 -9.633 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.361 -10.563 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.271 -9.391 7.541 1.00 0.00 H new ATOM 206 N GLU A 14 -1.011 -6.547 6.918 1.00 0.00 N ATOM 207 CA GLU A 14 -1.108 -5.215 7.455 1.00 0.00 C ATOM 208 C GLU A 14 -1.042 -4.137 6.382 1.00 0.00 C ATOM 209 O GLU A 14 -1.782 -3.158 6.446 1.00 0.00 O ATOM 210 CB GLU A 14 0.084 -5.083 8.414 1.00 0.00 C ATOM 211 CG GLU A 14 -0.409 -5.117 9.849 1.00 0.00 C ATOM 212 CD GLU A 14 0.614 -4.738 10.918 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.543 -5.536 11.163 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.516 -3.637 11.509 1.00 0.00 O ATOM 0 H GLU A 14 -0.200 -7.039 7.293 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.070 -5.073 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.792 -5.894 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.615 -4.150 8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.262 -4.443 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.774 -6.122 10.063 1.00 0.00 H new ATOM 221 N PHE A 15 -0.180 -4.303 5.379 1.00 0.00 N ATOM 222 CA PHE A 15 -0.206 -3.402 4.242 1.00 0.00 C ATOM 223 C PHE A 15 -1.401 -3.710 3.393 1.00 0.00 C ATOM 224 O PHE A 15 -2.030 -2.810 2.846 1.00 0.00 O ATOM 225 CB PHE A 15 1.015 -3.570 3.342 1.00 0.00 C ATOM 226 CG PHE A 15 1.267 -2.456 2.329 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.585 -1.217 2.396 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.357 -2.582 1.442 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.073 -0.101 1.704 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.832 -1.467 0.732 1.00 0.00 C ATOM 231 CZ PHE A 15 2.220 -0.218 0.904 1.00 0.00 C ATOM 0 H PHE A 15 0.527 -5.037 5.335 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.228 -2.390 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.897 -3.662 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.913 -4.510 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.317 -1.132 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.830 -3.544 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.567 0.849 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.667 -1.572 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.632 0.655 0.420 1.00 0.00 H new ATOM 241 N LEU A 16 -1.666 -4.999 3.223 1.00 0.00 N ATOM 242 CA LEU A 16 -2.573 -5.386 2.171 1.00 0.00 C ATOM 243 C LEU A 16 -3.966 -4.941 2.543 1.00 0.00 C ATOM 244 O LEU A 16 -4.689 -4.399 1.726 1.00 0.00 O ATOM 245 CB LEU A 16 -2.467 -6.884 1.973 1.00 0.00 C ATOM 246 CG LEU A 16 -3.297 -7.441 0.805 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.430 -6.554 -0.426 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.619 -8.709 0.232 1.00 0.00 C ATOM 0 H LEU A 16 -1.280 -5.761 3.780 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.322 -4.909 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.420 -7.142 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.780 -7.381 2.892 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.276 -7.579 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.038 -7.061 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.906 -5.614 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.441 -6.352 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.213 -9.097 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.620 -8.458 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.545 -9.466 1.012 1.00 0.00 H new ATOM 260 N GLN A 17 -4.297 -5.062 3.816 1.00 0.00 N ATOM 261 CA GLN A 17 -5.507 -4.610 4.386 1.00 0.00 C ATOM 262 C GLN A 17 -5.601 -3.112 4.260 1.00 0.00 C ATOM 263 O GLN A 17 -6.677 -2.560 4.115 1.00 0.00 O ATOM 264 CB GLN A 17 -5.774 -5.118 5.799 1.00 0.00 C ATOM 265 CG GLN A 17 -4.928 -4.361 6.774 1.00 0.00 C ATOM 266 CD GLN A 17 -5.070 -4.880 8.202 1.00 0.00 C ATOM 267 OE1 GLN A 17 -4.307 -5.726 8.655 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.058 -4.382 8.926 1.00 0.00 N ATOM 0 H GLN A 17 -3.681 -5.505 4.498 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.318 -5.057 3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.829 -4.997 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.553 -6.183 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.883 -4.426 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.203 -3.307 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.679 -3.679 8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.199 -4.701 9.885 1.00 0.00 H new ATOM 277 N LEU A 18 -4.464 -2.436 4.349 1.00 0.00 N ATOM 278 CA LEU A 18 -4.502 -1.018 4.338 1.00 0.00 C ATOM 279 C LEU A 18 -4.873 -0.525 2.944 1.00 0.00 C ATOM 280 O LEU A 18 -5.786 0.283 2.777 1.00 0.00 O ATOM 281 CB LEU A 18 -3.208 -0.468 4.863 1.00 0.00 C ATOM 282 CG LEU A 18 -3.433 1.022 5.118 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.015 1.877 3.910 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.740 1.389 5.823 1.00 0.00 C ATOM 0 H LEU A 18 -3.536 -2.852 4.427 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.278 -0.646 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.916 -0.978 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.403 -0.620 4.144 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.736 1.309 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.191 2.930 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.956 1.721 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.602 1.587 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.793 2.470 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.585 1.053 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.775 0.905 6.799 1.00 0.00 H new ATOM 296 N VAL A 19 -4.222 -1.113 1.941 1.00 0.00 N ATOM 297 CA VAL A 19 -4.534 -0.909 0.521 1.00 0.00 C ATOM 298 C VAL A 19 -6.045 -1.201 0.382 1.00 0.00 C ATOM 299 O VAL A 19 -6.770 -0.445 -0.248 1.00 0.00 O ATOM 300 CB VAL A 19 -3.695 -1.882 -0.283 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.193 -1.858 -1.724 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.234 -1.416 -0.185 1.00 0.00 C ATOM 0 H VAL A 19 -3.447 -1.758 2.093 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.315 0.096 0.162 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.770 -2.903 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.604 -2.551 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.242 -2.155 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.090 -0.851 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.597 -2.094 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.145 -0.409 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.922 -1.415 0.859 1.00 0.00 H new ATOM 312 N THR A 20 -6.536 -2.263 1.030 1.00 0.00 N ATOM 313 CA THR A 20 -7.906 -2.747 0.977 1.00 0.00 C ATOM 314 C THR A 20 -8.878 -1.788 1.675 1.00 0.00 C ATOM 315 O THR A 20 -10.017 -1.717 1.242 1.00 0.00 O ATOM 316 CB THR A 20 -7.922 -4.209 1.502 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.343 -5.086 0.474 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.694 -4.573 2.766 1.00 0.00 C ATOM 0 H THR A 20 -5.949 -2.835 1.638 1.00 0.00 H new ATOM 0 HA THR A 20 -8.275 -2.768 -0.049 1.00 0.00 H new ATOM 0 HB THR A 20 -6.882 -4.318 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.349 -6.006 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.582 -5.639 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.303 -4.002 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.749 -4.339 2.628 1.00 0.00 H new ATOM 326 N THR A 21 -8.456 -1.006 2.668 1.00 0.00 N ATOM 327 CA THR A 21 -9.181 0.101 3.280 1.00 0.00 C ATOM 328 C THR A 21 -9.316 1.262 2.275 1.00 0.00 C ATOM 329 O THR A 21 -10.288 2.007 2.335 1.00 0.00 O ATOM 330 CB THR A 21 -8.394 0.491 4.551 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.818 -0.183 5.724 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.260 2.000 4.773 1.00 0.00 C ATOM 0 H THR A 21 -7.538 -1.140 3.092 1.00 0.00 H new ATOM 0 HA THR A 21 -10.200 -0.172 3.556 1.00 0.00 H new ATOM 0 HB THR A 21 -7.387 0.131 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.668 0.197 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.694 2.185 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.739 2.447 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.251 2.444 4.864 1.00 0.00 H new ATOM 340 N ILE A 22 -8.375 1.439 1.347 1.00 0.00 N ATOM 341 CA ILE A 22 -8.341 2.503 0.346 1.00 0.00 C ATOM 342 C ILE A 22 -9.196 2.083 -0.836 1.00 0.00 C ATOM 343 O ILE A 22 -10.120 2.796 -1.215 1.00 0.00 O ATOM 344 CB ILE A 22 -6.919 2.826 -0.158 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.848 2.655 0.922 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.925 4.247 -0.713 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.581 3.450 0.690 1.00 0.00 C ATOM 0 H ILE A 22 -7.575 0.811 1.270 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.722 3.406 0.823 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.655 2.113 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.272 2.945 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.589 1.599 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.929 4.500 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.639 4.314 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.212 4.944 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.881 3.266 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.128 3.145 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.820 4.513 0.650 1.00 0.00 H new ATOM 359 N CYS A 23 -8.955 0.871 -1.342 1.00 0.00 N ATOM 360 CA CYS A 23 -9.882 0.176 -2.206 1.00 0.00 C ATOM 361 C CYS A 23 -11.234 -0.013 -1.505 1.00 0.00 C ATOM 362 O CYS A 23 -12.162 -0.439 -2.192 1.00 0.00 O ATOM 363 CB CYS A 23 -9.301 -1.168 -2.700 1.00 0.00 C ATOM 364 SG CYS A 23 -7.655 -0.942 -3.437 1.00 0.00 S ATOM 0 H CYS A 23 -8.099 0.349 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.046 0.792 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.236 -1.867 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.974 -1.610 -3.435 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.800 -0.641 -2.505 1.00 0.00 H new ATOM 370 N ASN A 24 -11.367 0.307 -0.198 1.00 0.00 N ATOM 371 CA ASN A 24 -12.716 0.331 0.423 1.00 0.00 C ATOM 372 C ASN A 24 -13.251 1.727 0.797 1.00 0.00 C ATOM 373 O ASN A 24 -14.457 1.860 0.982 1.00 0.00 O ATOM 374 CB ASN A 24 -12.835 -0.697 1.566 1.00 0.00 C ATOM 375 CG ASN A 24 -14.268 -0.872 2.074 1.00 0.00 C ATOM 376 OD1 ASN A 24 -15.160 -1.226 1.309 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.537 -0.730 3.365 1.00 0.00 N ATOM 0 H ASN A 24 -10.596 0.543 0.426 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.395 0.018 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.459 -1.660 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.199 -0.385 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.478 -0.915 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.803 -0.436 4.010 1.00 0.00 H new ATOM 384 N ALA A 25 -12.416 2.781 0.874 1.00 0.00 N ATOM 385 CA ALA A 25 -12.781 4.126 1.374 1.00 0.00 C ATOM 386 C ALA A 25 -13.499 4.040 2.721 1.00 0.00 C ATOM 387 O ALA A 25 -14.282 4.903 3.106 1.00 0.00 O ATOM 388 CB ALA A 25 -13.586 4.861 0.286 1.00 0.00 C ATOM 0 H ALA A 25 -11.440 2.721 0.582 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.883 4.713 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.860 5.853 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.979 4.955 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.489 4.296 0.057 1.00 0.00 H new ATOM 394 N ASP A 26 -13.042 3.053 3.479 1.00 0.00 N ATOM 395 CA ASP A 26 -13.285 2.530 4.829 1.00 0.00 C ATOM 396 C ASP A 26 -13.103 3.537 5.967 1.00 0.00 C ATOM 397 O ASP A 26 -13.140 3.231 7.154 1.00 0.00 O ATOM 398 CB ASP A 26 -12.234 1.451 4.895 1.00 0.00 C ATOM 399 CG ASP A 26 -12.369 0.394 5.971 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.431 -0.268 5.973 1.00 0.00 O ATOM 401 OD2 ASP A 26 -11.321 0.115 6.593 1.00 0.00 O ATOM 0 H ASP A 26 -12.323 2.465 3.058 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.319 2.215 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.214 0.945 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.266 1.935 5.022 1.00 0.00 H new ATOM 406 N THR A 27 -12.838 4.754 5.538 1.00 0.00 N ATOM 407 CA THR A 27 -12.210 5.852 6.239 1.00 0.00 C ATOM 408 C THR A 27 -13.157 7.023 6.487 1.00 0.00 C ATOM 409 O THR A 27 -14.350 6.981 6.166 1.00 0.00 O ATOM 410 CB THR A 27 -10.921 6.230 5.483 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.214 7.141 4.441 1.00 0.00 O ATOM 412 CG2 THR A 27 -10.135 5.105 4.808 1.00 0.00 C ATOM 0 H THR A 27 -13.085 5.025 4.586 1.00 0.00 H new ATOM 0 HA THR A 27 -11.939 5.538 7.247 1.00 0.00 H new ATOM 0 HB THR A 27 -10.301 6.625 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.075 6.908 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.255 5.520 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.823 4.378 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.766 4.614 4.067 1.00 0.00 H new ATOM 420 N SER A 28 -12.576 8.125 6.965 1.00 0.00 N ATOM 421 CA SER A 28 -13.142 9.463 6.964 1.00 0.00 C ATOM 422 C SER A 28 -13.827 9.856 5.666 1.00 0.00 C ATOM 423 O SER A 28 -14.636 10.782 5.667 1.00 0.00 O ATOM 424 CB SER A 28 -12.074 10.447 7.376 1.00 0.00 C ATOM 425 OG SER A 28 -10.986 10.493 6.496 1.00 0.00 O ATOM 0 H SER A 28 -11.647 8.100 7.385 1.00 0.00 H new ATOM 0 HA SER A 28 -13.953 9.476 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.515 11.441 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.715 10.185 8.371 1.00 0.00 H new ATOM 0 HG SER A 28 -10.248 10.984 6.914 1.00 0.00 H new ATOM 431 N SER A 29 -13.434 9.175 4.589 1.00 0.00 N ATOM 432 CA SER A 29 -14.179 8.987 3.338 1.00 0.00 C ATOM 433 C SER A 29 -13.682 9.657 2.082 1.00 0.00 C ATOM 434 O SER A 29 -14.171 9.367 0.993 1.00 0.00 O ATOM 435 CB SER A 29 -15.644 9.170 3.469 1.00 0.00 C ATOM 436 OG SER A 29 -16.252 8.444 4.535 1.00 0.00 O ATOM 0 H SER A 29 -12.527 8.708 4.563 1.00 0.00 H new ATOM 0 HA SER A 29 -13.950 7.934 3.175 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.851 10.231 3.609 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.117 8.874 2.533 1.00 0.00 H new ATOM 0 HG SER A 29 -15.570 7.922 5.006 1.00 0.00 H new ATOM 442 N GLU A 30 -12.641 10.455 2.224 1.00 0.00 N ATOM 443 CA GLU A 30 -11.810 10.789 1.070 1.00 0.00 C ATOM 444 C GLU A 30 -10.392 11.204 1.462 1.00 0.00 C ATOM 445 O GLU A 30 -9.474 11.376 0.665 1.00 0.00 O ATOM 446 CB GLU A 30 -12.508 11.949 0.319 1.00 0.00 C ATOM 447 CG GLU A 30 -11.972 12.315 -1.075 1.00 0.00 C ATOM 448 CD GLU A 30 -12.736 13.515 -1.661 1.00 0.00 C ATOM 449 OE1 GLU A 30 -12.572 14.633 -1.116 1.00 0.00 O ATOM 450 OE2 GLU A 30 -13.478 13.319 -2.651 1.00 0.00 O ATOM 0 H GLU A 30 -12.350 10.879 3.105 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.707 9.904 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.564 11.698 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.451 12.839 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.910 12.552 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.067 11.458 -1.742 1.00 0.00 H new ATOM 457 N GLU A 31 -10.166 11.160 2.757 1.00 0.00 N ATOM 458 CA GLU A 31 -9.133 11.915 3.396 1.00 0.00 C ATOM 459 C GLU A 31 -8.054 11.131 4.080 1.00 0.00 C ATOM 460 O GLU A 31 -6.862 11.270 3.832 1.00 0.00 O ATOM 461 CB GLU A 31 -9.972 12.727 4.306 1.00 0.00 C ATOM 462 CG GLU A 31 -9.479 14.012 4.960 1.00 0.00 C ATOM 463 CD GLU A 31 -8.414 13.743 6.031 1.00 0.00 C ATOM 464 OE1 GLU A 31 -8.566 12.785 6.828 1.00 0.00 O ATOM 465 OE2 GLU A 31 -7.356 14.410 6.025 1.00 0.00 O ATOM 0 H GLU A 31 -10.711 10.585 3.399 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.502 12.472 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.871 12.988 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.281 12.066 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.066 14.671 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.322 14.535 5.411 1.00 0.00 H new ATOM 472 N GLU A 32 -8.532 10.281 4.960 1.00 0.00 N ATOM 473 CA GLU A 32 -7.816 9.137 5.410 1.00 0.00 C ATOM 474 C GLU A 32 -7.473 8.351 4.176 1.00 0.00 C ATOM 475 O GLU A 32 -6.419 7.784 4.134 1.00 0.00 O ATOM 476 CB GLU A 32 -8.653 8.288 6.275 1.00 0.00 C ATOM 477 CG GLU A 32 -8.503 8.524 7.760 1.00 0.00 C ATOM 478 CD GLU A 32 -9.177 7.452 8.612 1.00 0.00 C ATOM 479 OE1 GLU A 32 -10.425 7.387 8.559 1.00 0.00 O ATOM 480 OE2 GLU A 32 -8.443 6.715 9.306 1.00 0.00 O ATOM 0 H GLU A 32 -9.454 10.380 5.386 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.940 9.444 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.698 8.442 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.420 7.244 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.443 8.563 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.926 9.497 8.011 1.00 0.00 H new ATOM 487 N LEU A 33 -8.314 8.351 3.154 1.00 0.00 N ATOM 488 CA LEU A 33 -8.053 7.661 1.922 1.00 0.00 C ATOM 489 C LEU A 33 -6.770 8.133 1.299 1.00 0.00 C ATOM 490 O LEU A 33 -5.844 7.355 1.225 1.00 0.00 O ATOM 491 CB LEU A 33 -9.231 7.882 0.990 1.00 0.00 C ATOM 492 CG LEU A 33 -10.215 6.762 1.309 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.608 7.358 1.444 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.080 5.761 0.154 1.00 0.00 C ATOM 0 H LEU A 33 -9.208 8.841 3.168 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.935 6.595 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.683 8.860 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.919 7.845 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.018 6.251 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.322 6.567 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.613 8.094 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.889 7.841 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.761 4.925 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.328 6.254 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.055 5.392 0.111 1.00 0.00 H new ATOM 506 N VAL A 34 -6.681 9.399 0.921 1.00 0.00 N ATOM 507 CA VAL A 34 -5.471 10.042 0.407 1.00 0.00 C ATOM 508 C VAL A 34 -4.319 9.938 1.395 1.00 0.00 C ATOM 509 O VAL A 34 -3.156 9.916 1.027 1.00 0.00 O ATOM 510 CB VAL A 34 -5.843 11.473 0.049 1.00 0.00 C ATOM 511 CG1 VAL A 34 -4.696 12.494 -0.007 1.00 0.00 C ATOM 512 CG2 VAL A 34 -6.598 11.498 -1.281 1.00 0.00 C ATOM 0 H VAL A 34 -7.477 10.035 0.964 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.104 9.537 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.463 11.797 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.094 13.474 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.212 12.551 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.968 12.183 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.861 12.526 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.965 11.084 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.506 10.902 -1.195 1.00 0.00 H new ATOM 522 N LYS A 35 -4.610 9.822 2.671 1.00 0.00 N ATOM 523 CA LYS A 35 -3.605 9.698 3.687 1.00 0.00 C ATOM 524 C LYS A 35 -3.081 8.279 3.765 1.00 0.00 C ATOM 525 O LYS A 35 -1.902 8.099 4.024 1.00 0.00 O ATOM 526 CB LYS A 35 -4.265 10.176 4.931 1.00 0.00 C ATOM 527 CG LYS A 35 -3.234 10.216 6.006 1.00 0.00 C ATOM 528 CD LYS A 35 -3.813 10.874 7.233 1.00 0.00 C ATOM 529 CE LYS A 35 -4.491 12.256 7.102 1.00 0.00 C ATOM 530 NZ LYS A 35 -5.873 12.227 6.560 1.00 0.00 N ATOM 0 H LYS A 35 -5.565 9.812 3.030 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.712 10.290 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.697 11.165 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.082 9.511 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.902 9.205 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.358 10.767 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.547 10.188 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.009 10.972 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.512 12.729 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.877 12.886 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.017 13.044 5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.017 11.348 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.555 12.269 7.344 1.00 0.00 H new ATOM 544 N LEU A 36 -3.924 7.281 3.546 1.00 0.00 N ATOM 545 CA LEU A 36 -3.589 5.906 3.390 1.00 0.00 C ATOM 546 C LEU A 36 -2.936 5.762 2.029 1.00 0.00 C ATOM 547 O LEU A 36 -2.029 4.942 1.923 1.00 0.00 O ATOM 548 CB LEU A 36 -4.898 5.118 3.636 1.00 0.00 C ATOM 549 CG LEU A 36 -5.223 5.173 5.131 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.503 4.470 5.436 1.00 0.00 C ATOM 551 CD2 LEU A 36 -4.163 4.813 6.143 1.00 0.00 C ATOM 0 H LEU A 36 -4.928 7.441 3.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.861 5.502 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.714 5.548 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.785 4.084 3.311 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.305 6.250 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.704 4.528 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.318 4.943 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.424 3.425 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.572 4.909 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.839 3.785 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.311 5.484 6.032 1.00 0.00 H new ATOM 563 N VAL A 37 -3.298 6.586 1.027 1.00 0.00 N ATOM 564 CA VAL A 37 -2.639 6.579 -0.237 1.00 0.00 C ATOM 565 C VAL A 37 -1.195 6.992 0.021 1.00 0.00 C ATOM 566 O VAL A 37 -0.274 6.275 -0.340 1.00 0.00 O ATOM 567 CB VAL A 37 -3.397 7.394 -1.323 1.00 0.00 C ATOM 568 CG1 VAL A 37 -4.880 7.066 -1.554 1.00 0.00 C ATOM 569 CG2 VAL A 37 -2.919 8.757 -1.858 1.00 0.00 C ATOM 0 H VAL A 37 -4.057 7.264 1.098 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.636 5.584 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.788 6.859 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.277 7.711 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.979 6.024 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.437 7.230 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.621 9.120 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.865 9.472 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.932 8.646 -2.308 1.00 0.00 H new ATOM 579 N THR A 38 -1.008 8.072 0.771 1.00 0.00 N ATOM 580 CA THR A 38 0.281 8.634 1.094 1.00 0.00 C ATOM 581 C THR A 38 1.054 7.695 1.991 1.00 0.00 C ATOM 582 O THR A 38 2.204 7.449 1.684 1.00 0.00 O ATOM 583 CB THR A 38 0.164 10.076 1.551 1.00 0.00 C ATOM 584 OG1 THR A 38 0.708 10.989 0.612 1.00 0.00 O ATOM 585 CG2 THR A 38 0.692 10.425 2.947 1.00 0.00 C ATOM 0 H THR A 38 -1.783 8.593 1.181 1.00 0.00 H new ATOM 0 HA THR A 38 0.895 8.715 0.197 1.00 0.00 H new ATOM 0 HB THR A 38 -0.919 10.182 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.653 10.605 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.542 11.488 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.154 9.843 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.756 10.193 3.002 1.00 0.00 H new ATOM 593 N HIS A 39 0.455 7.088 3.021 1.00 0.00 N ATOM 594 CA HIS A 39 1.127 6.049 3.772 1.00 0.00 C ATOM 595 C HIS A 39 1.481 4.852 2.898 1.00 0.00 C ATOM 596 O HIS A 39 2.370 4.122 3.307 1.00 0.00 O ATOM 597 CB HIS A 39 0.290 5.581 4.953 1.00 0.00 C ATOM 598 CG HIS A 39 1.189 5.214 6.103 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.937 6.082 6.865 1.00 0.00 N ATOM 600 CD2 HIS A 39 1.405 3.953 6.584 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.520 5.369 7.838 1.00 0.00 C ATOM 602 NE2 HIS A 39 2.168 4.074 7.753 1.00 0.00 N ATOM 0 H HIS A 39 -0.488 7.304 3.344 1.00 0.00 H new ATOM 0 HA HIS A 39 2.050 6.492 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.400 6.369 5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.315 4.721 4.664 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.031 7.087 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.052 3.032 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.182 5.778 8.587 1.00 0.00 H new ATOM 610 N PHE A 40 0.844 4.611 1.742 1.00 0.00 N ATOM 611 CA PHE A 40 1.421 3.680 0.767 1.00 0.00 C ATOM 612 C PHE A 40 2.701 4.281 0.189 1.00 0.00 C ATOM 613 O PHE A 40 3.766 3.685 0.336 1.00 0.00 O ATOM 614 CB PHE A 40 0.447 3.273 -0.354 1.00 0.00 C ATOM 615 CG PHE A 40 0.918 2.070 -1.152 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.089 2.119 -1.936 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.195 0.870 -1.078 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.526 0.972 -2.616 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.622 -0.270 -1.784 1.00 0.00 C ATOM 620 CZ PHE A 40 1.787 -0.219 -2.555 1.00 0.00 C ATOM 0 H PHE A 40 -0.043 5.034 1.467 1.00 0.00 H new ATOM 0 HA PHE A 40 1.648 2.757 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.527 3.052 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.309 4.117 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.649 3.039 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.698 0.821 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.439 1.006 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.050 -1.184 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.116 -1.091 -3.100 1.00 0.00 H new ATOM 630 N GLU A 41 2.584 5.420 -0.497 1.00 0.00 N ATOM 631 CA GLU A 41 3.659 6.186 -1.134 1.00 0.00 C ATOM 632 C GLU A 41 4.916 6.247 -0.262 1.00 0.00 C ATOM 633 O GLU A 41 6.040 6.008 -0.709 1.00 0.00 O ATOM 634 CB GLU A 41 3.197 7.562 -1.579 1.00 0.00 C ATOM 635 CG GLU A 41 1.942 7.701 -2.445 1.00 0.00 C ATOM 636 CD GLU A 41 1.600 9.174 -2.720 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.985 9.819 -1.834 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.954 9.642 -3.823 1.00 0.00 O ATOM 0 H GLU A 41 1.675 5.862 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 41 3.935 5.646 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.039 8.158 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.021 8.021 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.093 7.180 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.101 7.219 -1.946 1.00 0.00 H new ATOM 645 N GLU A 42 4.663 6.511 1.009 1.00 0.00 N ATOM 646 CA GLU A 42 5.550 6.700 2.134 1.00 0.00 C ATOM 647 C GLU A 42 6.333 5.435 2.372 1.00 0.00 C ATOM 648 O GLU A 42 7.565 5.385 2.348 1.00 0.00 O ATOM 649 CB GLU A 42 4.738 7.137 3.343 1.00 0.00 C ATOM 650 CG GLU A 42 4.957 6.720 4.797 1.00 0.00 C ATOM 651 CD GLU A 42 4.751 7.878 5.787 1.00 0.00 C ATOM 652 OE1 GLU A 42 3.577 8.132 6.155 1.00 0.00 O ATOM 653 OE2 GLU A 42 5.762 8.489 6.200 1.00 0.00 O ATOM 0 H GLU A 42 3.694 6.610 1.311 1.00 0.00 H new ATOM 0 HA GLU A 42 6.275 7.488 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.784 8.226 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.708 6.862 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.271 5.910 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.968 6.328 4.909 1.00 0.00 H new ATOM 660 N MET A 43 5.537 4.398 2.595 1.00 0.00 N ATOM 661 CA MET A 43 5.941 3.206 3.266 1.00 0.00 C ATOM 662 C MET A 43 7.122 2.551 2.585 1.00 0.00 C ATOM 663 O MET A 43 8.155 2.233 3.167 1.00 0.00 O ATOM 664 CB MET A 43 4.761 2.223 3.267 1.00 0.00 C ATOM 665 CG MET A 43 4.282 1.734 4.621 1.00 0.00 C ATOM 666 SD MET A 43 4.711 2.599 6.130 1.00 0.00 S ATOM 667 CE MET A 43 3.652 1.562 7.150 1.00 0.00 C ATOM 0 H MET A 43 4.562 4.380 2.297 1.00 0.00 H new ATOM 0 HA MET A 43 6.240 3.468 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.921 2.699 2.761 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.041 1.354 2.671 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.194 1.693 4.577 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.635 0.709 4.731 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.565 1.998 8.145 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.663 1.494 6.696 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.085 0.565 7.227 1.00 0.00 H new ATOM 677 N THR A 44 6.864 2.242 1.326 1.00 0.00 N ATOM 678 CA THR A 44 7.560 1.258 0.539 1.00 0.00 C ATOM 679 C THR A 44 8.672 1.897 -0.278 1.00 0.00 C ATOM 680 O THR A 44 9.271 1.201 -1.112 1.00 0.00 O ATOM 681 CB THR A 44 6.489 0.517 -0.281 1.00 0.00 C ATOM 682 OG1 THR A 44 7.079 -0.295 -1.260 1.00 0.00 O ATOM 683 CG2 THR A 44 5.466 1.450 -0.933 1.00 0.00 C ATOM 0 H THR A 44 6.119 2.702 0.802 1.00 0.00 H new ATOM 0 HA THR A 44 8.086 0.527 1.153 1.00 0.00 H new ATOM 0 HB THR A 44 5.947 -0.102 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.028 -0.066 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.742 0.860 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.949 2.020 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.978 2.136 -1.609 1.00 0.00 H new ATOM 691 N GLU A 45 8.946 3.188 -0.050 1.00 0.00 N ATOM 692 CA GLU A 45 10.048 3.906 -0.671 1.00 0.00 C ATOM 693 C GLU A 45 9.933 3.794 -2.212 1.00 0.00 C ATOM 694 O GLU A 45 10.957 3.665 -2.898 1.00 0.00 O ATOM 695 CB GLU A 45 11.359 3.277 -0.195 1.00 0.00 C ATOM 696 CG GLU A 45 11.575 2.835 1.258 1.00 0.00 C ATOM 697 CD GLU A 45 12.470 1.574 1.235 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.582 1.694 0.656 1.00 0.00 O ATOM 699 OE2 GLU A 45 11.998 0.455 1.566 1.00 0.00 O ATOM 0 H GLU A 45 8.394 3.766 0.584 1.00 0.00 H new ATOM 0 HA GLU A 45 10.021 4.960 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.529 2.399 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.150 3.990 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.049 3.630 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.621 2.619 1.738 1.00 0.00 H new ATOM 706 N HIS A 46 8.698 3.686 -2.725 1.00 0.00 N ATOM 707 CA HIS A 46 8.371 3.134 -4.037 1.00 0.00 C ATOM 708 C HIS A 46 8.059 4.212 -5.077 1.00 0.00 C ATOM 709 O HIS A 46 7.446 5.216 -4.731 1.00 0.00 O ATOM 710 CB HIS A 46 7.163 2.192 -3.855 1.00 0.00 C ATOM 711 CG HIS A 46 6.636 1.521 -5.101 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.612 1.988 -5.890 1.00 0.00 N ATOM 713 CD2 HIS A 46 7.054 0.337 -5.650 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.466 1.127 -6.914 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.315 0.102 -6.801 1.00 0.00 N ATOM 0 H HIS A 46 7.872 3.994 -2.213 1.00 0.00 H new ATOM 0 HA HIS A 46 9.239 2.597 -4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.440 1.416 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.350 2.763 -3.406 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.063 2.833 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.827 -0.304 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.757 1.249 -7.720 1.00 0.00 H new ATOM 723 N PRO A 47 8.391 3.978 -6.360 1.00 0.00 N ATOM 724 CA PRO A 47 8.011 4.864 -7.458 1.00 0.00 C ATOM 725 C PRO A 47 6.507 5.098 -7.644 1.00 0.00 C ATOM 726 O PRO A 47 6.024 6.217 -7.535 1.00 0.00 O ATOM 727 CB PRO A 47 8.620 4.235 -8.719 1.00 0.00 C ATOM 728 CG PRO A 47 9.036 2.818 -8.316 1.00 0.00 C ATOM 729 CD PRO A 47 9.227 2.877 -6.840 1.00 0.00 C ATOM 0 HA PRO A 47 8.386 5.863 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.897 4.214 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.477 4.810 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.271 2.090 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.954 2.518 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.936 1.936 -6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.274 3.047 -6.590 1.00 0.00 H new ATOM 737 N SER A 48 5.770 4.050 -7.992 1.00 0.00 N ATOM 738 CA SER A 48 4.469 4.110 -8.636 1.00 0.00 C ATOM 739 C SER A 48 3.289 4.284 -7.677 1.00 0.00 C ATOM 740 O SER A 48 2.246 3.756 -7.914 1.00 0.00 O ATOM 741 CB SER A 48 4.321 2.930 -9.626 1.00 0.00 C ATOM 742 OG SER A 48 5.552 2.267 -9.902 1.00 0.00 O ATOM 0 H SER A 48 6.080 3.093 -7.824 1.00 0.00 H new ATOM 0 HA SER A 48 4.430 5.035 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.612 2.210 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.898 3.300 -10.560 1.00 0.00 H new ATOM 0 HG SER A 48 5.394 1.532 -10.531 1.00 0.00 H new ATOM 748 N GLY A 49 3.442 4.960 -6.562 1.00 0.00 N ATOM 749 CA GLY A 49 2.462 5.450 -5.589 1.00 0.00 C ATOM 750 C GLY A 49 1.034 5.598 -6.124 1.00 0.00 C ATOM 751 O GLY A 49 0.175 4.778 -5.820 1.00 0.00 O ATOM 0 H GLY A 49 4.383 5.220 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.446 4.769 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.796 6.418 -5.216 1.00 0.00 H new ATOM 755 N SER A 50 0.755 6.610 -6.939 1.00 0.00 N ATOM 756 CA SER A 50 -0.574 6.826 -7.521 1.00 0.00 C ATOM 757 C SER A 50 -0.959 5.779 -8.583 1.00 0.00 C ATOM 758 O SER A 50 -2.100 5.723 -9.050 1.00 0.00 O ATOM 759 CB SER A 50 -0.592 8.235 -8.135 1.00 0.00 C ATOM 760 OG SER A 50 0.635 8.590 -8.761 1.00 0.00 O ATOM 0 H SER A 50 1.444 7.309 -7.218 1.00 0.00 H new ATOM 0 HA SER A 50 -1.313 6.723 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.397 8.295 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.817 8.961 -7.354 1.00 0.00 H new ATOM 0 HG SER A 50 0.957 7.838 -9.300 1.00 0.00 H new ATOM 766 N ASP A 51 -0.043 4.884 -8.923 1.00 0.00 N ATOM 767 CA ASP A 51 0.048 4.101 -10.117 1.00 0.00 C ATOM 768 C ASP A 51 0.142 2.650 -9.683 1.00 0.00 C ATOM 769 O ASP A 51 0.198 1.787 -10.547 1.00 0.00 O ATOM 770 CB ASP A 51 1.264 4.538 -10.946 1.00 0.00 C ATOM 771 CG ASP A 51 1.205 5.978 -11.470 1.00 0.00 C ATOM 772 OD1 ASP A 51 1.224 6.909 -10.629 1.00 0.00 O ATOM 773 OD2 ASP A 51 1.179 6.157 -12.705 1.00 0.00 O ATOM 0 H ASP A 51 0.731 4.677 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.824 4.238 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.160 4.425 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.369 3.862 -11.795 1.00 0.00 H new ATOM 778 N LEU A 52 0.161 2.342 -8.371 1.00 0.00 N ATOM 779 CA LEU A 52 -0.221 1.038 -7.932 1.00 0.00 C ATOM 780 C LEU A 52 -1.285 1.289 -6.918 1.00 0.00 C ATOM 781 O LEU A 52 -1.379 0.572 -5.933 1.00 0.00 O ATOM 782 CB LEU A 52 0.893 0.184 -7.377 1.00 0.00 C ATOM 783 CG LEU A 52 2.039 0.869 -6.662 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.723 1.814 -5.520 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.801 -0.254 -6.023 1.00 0.00 C ATOM 0 H LEU A 52 0.436 2.985 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.557 0.445 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.449 -0.531 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.313 -0.391 -8.202 1.00 0.00 H new ATOM 0 HG LEU A 52 2.527 1.485 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.651 2.220 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.098 2.629 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.193 1.273 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.655 0.149 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.150 -0.788 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.153 -0.940 -6.794 1.00 0.00 H new ATOM 797 N ILE A 53 -2.045 2.360 -7.113 1.00 0.00 N ATOM 798 CA ILE A 53 -3.176 2.596 -6.328 1.00 0.00 C ATOM 799 C ILE A 53 -4.354 2.778 -7.290 1.00 0.00 C ATOM 800 O ILE A 53 -5.331 2.056 -7.116 1.00 0.00 O ATOM 801 CB ILE A 53 -2.838 3.620 -5.256 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.827 2.985 -4.265 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.130 3.956 -4.543 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.341 1.855 -3.433 1.00 0.00 C ATOM 0 H ILE A 53 -1.867 3.067 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.520 1.780 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.394 4.521 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.968 2.629 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.466 3.766 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.934 4.691 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.843 4.367 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.544 3.052 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.547 1.493 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.179 2.201 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.673 1.046 -4.084 1.00 0.00 H new ATOM 816 N TYR A 54 -4.256 3.621 -8.344 1.00 0.00 N ATOM 817 CA TYR A 54 -5.357 3.723 -9.315 1.00 0.00 C ATOM 818 C TYR A 54 -5.001 3.983 -10.794 1.00 0.00 C ATOM 819 O TYR A 54 -5.870 3.769 -11.644 1.00 0.00 O ATOM 820 CB TYR A 54 -6.356 4.799 -8.897 1.00 0.00 C ATOM 821 CG TYR A 54 -6.577 5.066 -7.411 1.00 0.00 C ATOM 822 CD1 TYR A 54 -7.343 4.181 -6.625 1.00 0.00 C ATOM 823 CD2 TYR A 54 -5.983 6.188 -6.799 1.00 0.00 C ATOM 824 CE1 TYR A 54 -7.654 4.491 -5.290 1.00 0.00 C ATOM 825 CE2 TYR A 54 -6.198 6.442 -5.430 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.105 5.645 -4.696 1.00 0.00 C ATOM 827 OH TYR A 54 -7.395 5.941 -3.402 1.00 0.00 O ATOM 0 H TYR A 54 -3.453 4.219 -8.536 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.765 2.713 -9.284 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.042 5.736 -9.357 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.321 4.539 -9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.695 3.254 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.362 6.854 -7.380 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.310 3.848 -4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.669 7.247 -4.941 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.288 5.603 -3.181 1.00 0.00 H new ATOM 837 N TYR A 55 -3.771 4.386 -11.148 1.00 0.00 N ATOM 838 CA TYR A 55 -3.337 4.430 -12.557 1.00 0.00 C ATOM 839 C TYR A 55 -2.721 3.134 -13.174 1.00 0.00 C ATOM 840 O TYR A 55 -2.372 3.202 -14.353 1.00 0.00 O ATOM 841 CB TYR A 55 -2.432 5.653 -12.796 1.00 0.00 C ATOM 842 CG TYR A 55 -2.918 6.992 -12.253 1.00 0.00 C ATOM 843 CD1 TYR A 55 -4.287 7.337 -12.250 1.00 0.00 C ATOM 844 CD2 TYR A 55 -1.974 7.917 -11.768 1.00 0.00 C ATOM 845 CE1 TYR A 55 -4.707 8.578 -11.735 1.00 0.00 C ATOM 846 CE2 TYR A 55 -2.382 9.158 -11.252 1.00 0.00 C ATOM 847 CZ TYR A 55 -3.755 9.489 -11.226 1.00 0.00 C ATOM 848 OH TYR A 55 -4.163 10.683 -10.714 1.00 0.00 O ATOM 0 H TYR A 55 -3.059 4.686 -10.482 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.273 4.519 -13.108 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.457 5.443 -12.357 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.282 5.758 -13.870 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.016 6.645 -12.645 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.923 7.669 -11.793 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.756 8.833 -11.729 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.649 9.856 -10.877 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.383 11.190 -10.406 1.00 0.00 H new ATOM 858 N PRO A 56 -2.584 1.965 -12.502 1.00 0.00 N ATOM 859 CA PRO A 56 -2.294 0.676 -13.158 1.00 0.00 C ATOM 860 C PRO A 56 -3.571 0.168 -13.845 1.00 0.00 C ATOM 861 O PRO A 56 -4.399 0.978 -14.281 1.00 0.00 O ATOM 862 CB PRO A 56 -1.815 -0.237 -12.021 1.00 0.00 C ATOM 863 CG PRO A 56 -2.765 0.204 -10.921 1.00 0.00 C ATOM 864 CD PRO A 56 -2.906 1.687 -11.111 1.00 0.00 C ATOM 0 HA PRO A 56 -1.536 0.731 -13.940 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.918 -1.295 -12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.769 -0.069 -11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.728 -0.299 -11.004 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.366 -0.033 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.920 2.012 -10.876 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.235 2.228 -10.443 1.00 0.00 H new ATOM 872 N LYS A 57 -3.715 -1.170 -13.932 1.00 0.00 N ATOM 873 CA LYS A 57 -4.944 -1.990 -14.135 1.00 0.00 C ATOM 874 C LYS A 57 -5.032 -2.644 -15.487 1.00 0.00 C ATOM 875 O LYS A 57 -5.759 -3.591 -15.777 1.00 0.00 O ATOM 876 CB LYS A 57 -6.151 -1.091 -14.056 1.00 0.00 C ATOM 877 CG LYS A 57 -7.520 -1.739 -14.032 1.00 0.00 C ATOM 878 CD LYS A 57 -8.460 -0.669 -13.489 1.00 0.00 C ATOM 879 CE LYS A 57 -8.694 0.527 -14.451 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.534 1.445 -14.638 1.00 0.00 N ATOM 0 H LYS A 57 -2.895 -1.771 -13.855 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.906 -2.761 -13.366 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.055 -0.481 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.118 -0.412 -14.908 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.822 -2.059 -15.029 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.525 -2.626 -13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.421 -1.129 -13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.056 -0.291 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.983 0.134 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.537 1.109 -14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.867 2.430 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.854 1.307 -13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.071 1.239 -15.546 1.00 0.00 H new ATOM 894 N GLU A 58 -4.269 -2.046 -16.361 1.00 0.00 N ATOM 895 CA GLU A 58 -4.488 -2.132 -17.763 1.00 0.00 C ATOM 896 C GLU A 58 -3.430 -2.923 -18.471 1.00 0.00 C ATOM 897 O GLU A 58 -2.429 -2.516 -19.056 1.00 0.00 O ATOM 898 CB GLU A 58 -4.795 -0.770 -18.229 1.00 0.00 C ATOM 899 CG GLU A 58 -6.248 -0.667 -18.724 1.00 0.00 C ATOM 900 CD GLU A 58 -6.883 0.718 -18.514 1.00 0.00 C ATOM 901 OE1 GLU A 58 -7.227 1.037 -17.344 1.00 0.00 O ATOM 902 OE2 GLU A 58 -7.102 1.418 -19.527 1.00 0.00 O ATOM 0 H GLU A 58 -3.463 -1.476 -16.104 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.353 -2.741 -18.025 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.633 -0.060 -17.418 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.113 -0.496 -19.034 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.278 -0.912 -19.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.851 -1.414 -18.208 1.00 0.00 H new ATOM 909 N GLY A 59 -3.810 -4.148 -18.296 1.00 0.00 N ATOM 910 CA GLY A 59 -3.024 -5.332 -18.446 1.00 0.00 C ATOM 911 C GLY A 59 -2.075 -5.543 -17.263 1.00 0.00 C ATOM 912 O GLY A 59 -1.202 -6.401 -17.379 1.00 0.00 O ATOM 0 H GLY A 59 -4.767 -4.365 -18.019 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.683 -6.195 -18.541 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.446 -5.269 -19.368 1.00 0.00 H new ATOM 916 N ASP A 60 -2.231 -4.795 -16.160 1.00 0.00 N ATOM 917 CA ASP A 60 -1.524 -4.995 -14.917 1.00 0.00 C ATOM 918 C ASP A 60 -2.510 -5.516 -13.901 1.00 0.00 C ATOM 919 O ASP A 60 -3.724 -5.358 -14.036 1.00 0.00 O ATOM 920 CB ASP A 60 -0.858 -3.692 -14.426 1.00 0.00 C ATOM 921 CG ASP A 60 0.518 -3.978 -13.805 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.679 -5.073 -13.218 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.412 -3.119 -13.971 1.00 0.00 O ATOM 0 H ASP A 60 -2.880 -4.009 -16.123 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.719 -5.715 -15.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.748 -2.999 -15.260 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.499 -3.206 -13.690 1.00 0.00 H new ATOM 928 N ASP A 61 -1.939 -6.151 -12.899 1.00 0.00 N ATOM 929 CA ASP A 61 -2.649 -6.691 -11.752 1.00 0.00 C ATOM 930 C ASP A 61 -2.692 -5.663 -10.634 1.00 0.00 C ATOM 931 O ASP A 61 -1.825 -5.631 -9.767 1.00 0.00 O ATOM 932 CB ASP A 61 -2.212 -8.057 -11.279 1.00 0.00 C ATOM 933 CG ASP A 61 -2.967 -8.560 -10.030 1.00 0.00 C ATOM 934 OD1 ASP A 61 -4.134 -8.150 -9.799 1.00 0.00 O ATOM 935 OD2 ASP A 61 -2.390 -9.391 -9.284 1.00 0.00 O ATOM 0 H ASP A 61 -0.933 -6.312 -12.857 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.662 -6.885 -12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.353 -8.773 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.145 -8.030 -11.059 1.00 0.00 H new ATOM 940 N ASP A 62 -3.690 -4.795 -10.666 1.00 0.00 N ATOM 941 CA ASP A 62 -3.964 -3.776 -9.659 1.00 0.00 C ATOM 942 C ASP A 62 -5.129 -4.205 -8.765 1.00 0.00 C ATOM 943 O ASP A 62 -5.672 -3.371 -8.033 1.00 0.00 O ATOM 944 CB ASP A 62 -4.403 -2.500 -10.374 1.00 0.00 C ATOM 945 CG ASP A 62 -5.864 -2.479 -10.856 1.00 0.00 C ATOM 946 OD1 ASP A 62 -6.335 -3.531 -11.346 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.468 -1.382 -10.845 1.00 0.00 O ATOM 0 H ASP A 62 -4.365 -4.779 -11.431 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.066 -3.626 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.249 -1.656 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.753 -2.345 -11.235 1.00 0.00 H new ATOM 952 N SER A 63 -5.527 -5.487 -8.782 1.00 0.00 N ATOM 953 CA SER A 63 -6.476 -5.966 -7.783 1.00 0.00 C ATOM 954 C SER A 63 -5.931 -5.534 -6.411 1.00 0.00 C ATOM 955 O SER A 63 -4.705 -5.472 -6.284 1.00 0.00 O ATOM 956 CB SER A 63 -6.624 -7.490 -7.835 1.00 0.00 C ATOM 957 OG SER A 63 -6.653 -8.026 -9.143 1.00 0.00 O ATOM 0 H SER A 63 -5.215 -6.186 -9.456 1.00 0.00 H new ATOM 0 HA SER A 63 -7.464 -5.547 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.797 -7.943 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.541 -7.772 -7.318 1.00 0.00 H new ATOM 0 HG SER A 63 -5.771 -8.391 -9.367 1.00 0.00 H new ATOM 963 N PRO A 64 -6.746 -5.295 -5.364 1.00 0.00 N ATOM 964 CA PRO A 64 -6.321 -4.656 -4.114 1.00 0.00 C ATOM 965 C PRO A 64 -5.142 -5.298 -3.389 1.00 0.00 C ATOM 966 O PRO A 64 -4.621 -4.764 -2.430 1.00 0.00 O ATOM 967 CB PRO A 64 -7.546 -4.706 -3.220 1.00 0.00 C ATOM 968 CG PRO A 64 -8.683 -4.543 -4.224 1.00 0.00 C ATOM 969 CD PRO A 64 -8.182 -5.478 -5.321 1.00 0.00 C ATOM 0 HA PRO A 64 -5.957 -3.657 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.615 -5.648 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.541 -3.908 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.647 -4.850 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.795 -3.515 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.439 -6.514 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.637 -5.235 -6.281 1.00 0.00 H new ATOM 977 N SER A 65 -4.788 -6.476 -3.854 1.00 0.00 N ATOM 978 CA SER A 65 -3.707 -7.392 -3.680 1.00 0.00 C ATOM 979 C SER A 65 -2.569 -7.279 -4.655 1.00 0.00 C ATOM 980 O SER A 65 -1.456 -7.073 -4.201 1.00 0.00 O ATOM 981 CB SER A 65 -4.362 -8.756 -3.692 1.00 0.00 C ATOM 982 OG SER A 65 -5.292 -8.932 -4.759 1.00 0.00 O ATOM 0 H SER A 65 -5.427 -6.897 -4.529 1.00 0.00 H new ATOM 0 HA SER A 65 -3.188 -7.171 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.589 -9.521 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.876 -8.912 -2.743 1.00 0.00 H new ATOM 0 HG SER A 65 -5.678 -9.832 -4.712 1.00 0.00 H new ATOM 988 N GLY A 66 -2.816 -7.453 -5.939 1.00 0.00 N ATOM 989 CA GLY A 66 -1.968 -7.280 -7.070 1.00 0.00 C ATOM 990 C GLY A 66 -1.255 -5.951 -7.047 1.00 0.00 C ATOM 991 O GLY A 66 -0.097 -5.910 -7.431 1.00 0.00 O ATOM 0 H GLY A 66 -3.743 -7.759 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.233 -8.085 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.560 -7.357 -7.982 1.00 0.00 H new ATOM 995 N ILE A 67 -1.852 -4.893 -6.499 1.00 0.00 N ATOM 996 CA ILE A 67 -1.114 -3.655 -6.319 1.00 0.00 C ATOM 997 C ILE A 67 -0.087 -3.698 -5.222 1.00 0.00 C ATOM 998 O ILE A 67 1.034 -3.199 -5.326 1.00 0.00 O ATOM 999 CB ILE A 67 -2.002 -2.438 -6.056 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.091 -2.714 -5.021 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.573 -1.883 -7.334 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.202 -1.648 -4.950 1.00 0.00 C ATOM 0 H ILE A 67 -2.821 -4.871 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.612 -3.550 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.358 -1.672 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.547 -3.679 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.626 -2.799 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.199 -1.019 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.760 -1.580 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.174 -2.648 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.929 -1.930 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.764 -0.683 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.700 -1.576 -5.917 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.449 -4.354 -4.148 1.00 0.00 N ATOM 1015 CA VAL A 68 0.466 -4.515 -3.032 1.00 0.00 C ATOM 1016 C VAL A 68 1.511 -5.546 -3.434 1.00 0.00 C ATOM 1017 O VAL A 68 2.643 -5.591 -2.965 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.368 -4.935 -1.821 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.345 -4.673 -0.492 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.639 -4.118 -1.786 1.00 0.00 C ATOM 0 H VAL A 68 -1.364 -4.785 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 68 0.998 -3.600 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.552 -6.004 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.294 -4.990 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.279 -5.234 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.558 -3.608 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.238 -4.413 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.389 -3.060 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.208 -4.291 -2.700 1.00 0.00 H new ATOM 1030 N ASN A 69 1.103 -6.363 -4.379 1.00 0.00 N ATOM 1031 CA ASN A 69 1.873 -7.211 -5.262 1.00 0.00 C ATOM 1032 C ASN A 69 2.721 -6.448 -6.230 1.00 0.00 C ATOM 1033 O ASN A 69 3.806 -6.917 -6.517 1.00 0.00 O ATOM 1034 CB ASN A 69 1.016 -8.217 -5.939 1.00 0.00 C ATOM 1035 CG ASN A 69 0.950 -9.580 -5.256 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.769 -9.933 -4.403 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.097 -10.329 -5.542 1.00 0.00 N ATOM 0 H ASN A 69 0.106 -6.460 -4.569 1.00 0.00 H new ATOM 0 HA ASN A 69 2.574 -7.752 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.005 -7.817 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.381 -8.356 -6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.239 -11.214 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.765 -10.023 -6.250 1.00 0.00 H new ATOM 1044 N THR A 70 2.312 -5.286 -6.700 1.00 0.00 N ATOM 1045 CA THR A 70 3.098 -4.562 -7.656 1.00 0.00 C ATOM 1046 C THR A 70 4.317 -4.038 -6.896 1.00 0.00 C ATOM 1047 O THR A 70 5.470 -4.161 -7.322 1.00 0.00 O ATOM 1048 CB THR A 70 2.277 -3.422 -8.270 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.157 -3.913 -8.970 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.075 -2.563 -9.255 1.00 0.00 C ATOM 0 H THR A 70 1.440 -4.831 -6.431 1.00 0.00 H new ATOM 0 HA THR A 70 3.410 -5.195 -8.487 1.00 0.00 H new ATOM 0 HB THR A 70 1.976 -2.811 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.756 -4.653 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.435 -1.775 -9.652 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.925 -2.115 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.434 -3.187 -10.074 1.00 0.00 H new ATOM 1058 N VAL A 71 4.051 -3.590 -5.662 1.00 0.00 N ATOM 1059 CA VAL A 71 5.082 -3.313 -4.687 1.00 0.00 C ATOM 1060 C VAL A 71 5.961 -4.505 -4.558 1.00 0.00 C ATOM 1061 O VAL A 71 7.167 -4.373 -4.607 1.00 0.00 O ATOM 1062 CB VAL A 71 4.525 -2.910 -3.304 1.00 0.00 C ATOM 1063 CG1 VAL A 71 5.073 -3.571 -2.050 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.886 -1.464 -3.224 1.00 0.00 C ATOM 0 H VAL A 71 3.106 -3.413 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 71 5.648 -2.454 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 71 3.476 -3.207 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.566 -3.166 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.904 -4.647 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.143 -3.375 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.540 -1.055 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.968 -1.355 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.413 -0.925 -4.045 1.00 0.00 H new ATOM 1074 N LYS A 72 5.363 -5.666 -4.389 1.00 0.00 N ATOM 1075 CA LYS A 72 6.091 -6.914 -4.170 1.00 0.00 C ATOM 1076 C LYS A 72 7.021 -7.385 -5.258 1.00 0.00 C ATOM 1077 O LYS A 72 7.552 -8.482 -5.179 1.00 0.00 O ATOM 1078 CB LYS A 72 5.095 -8.020 -3.920 1.00 0.00 C ATOM 1079 CG LYS A 72 5.484 -8.537 -2.569 1.00 0.00 C ATOM 1080 CD LYS A 72 4.885 -7.585 -1.553 1.00 0.00 C ATOM 1081 CE LYS A 72 3.704 -8.259 -0.853 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.585 -8.645 -1.759 1.00 0.00 N ATOM 0 H LYS A 72 4.349 -5.779 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 72 6.739 -6.685 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.071 -7.648 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.158 -8.797 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.110 -9.550 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.568 -8.580 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.639 -7.297 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.555 -6.671 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.063 -9.151 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.319 -7.585 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.758 -8.920 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.336 -7.838 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.880 -9.447 -2.353 1.00 0.00 H new ATOM 1096 N GLN A 73 7.142 -6.573 -6.273 1.00 0.00 N ATOM 1097 CA GLN A 73 7.823 -6.760 -7.503 1.00 0.00 C ATOM 1098 C GLN A 73 8.865 -5.672 -7.688 1.00 0.00 C ATOM 1099 O GLN A 73 10.033 -5.985 -7.856 1.00 0.00 O ATOM 1100 CB GLN A 73 6.845 -6.999 -8.658 1.00 0.00 C ATOM 1101 CG GLN A 73 6.048 -8.242 -8.250 1.00 0.00 C ATOM 1102 CD GLN A 73 5.051 -8.745 -9.276 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.410 -9.397 -10.248 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.783 -8.474 -9.022 1.00 0.00 N ATOM 0 H GLN A 73 6.706 -5.652 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 73 8.400 -7.685 -7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.190 -6.140 -8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.375 -7.160 -9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.750 -9.045 -8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.513 -8.022 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.534 -7.926 -8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.054 -8.813 -9.649 1.00 0.00 H new ATOM 1113 N TRP A 74 8.505 -4.411 -7.474 1.00 0.00 N ATOM 1114 CA TRP A 74 9.430 -3.308 -7.278 1.00 0.00 C ATOM 1115 C TRP A 74 10.276 -3.583 -6.045 1.00 0.00 C ATOM 1116 O TRP A 74 11.460 -3.848 -6.151 1.00 0.00 O ATOM 1117 CB TRP A 74 8.741 -1.980 -7.203 1.00 0.00 C ATOM 1118 CG TRP A 74 9.748 -0.898 -7.465 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.076 -0.466 -8.691 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.597 -0.122 -6.583 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.199 0.321 -8.663 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.509 0.650 -7.372 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.592 0.115 -5.206 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.388 1.593 -6.829 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.381 1.142 -4.686 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.303 1.862 -5.460 1.00 0.00 C ATOM 0 H TRP A 74 7.528 -4.122 -7.431 1.00 0.00 H new ATOM 0 HA TRP A 74 10.079 -3.244 -8.151 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.935 -1.931 -7.935 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.288 -1.845 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.525 -0.707 -9.588 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.726 0.618 -9.485 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.984 -0.491 -4.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.112 2.099 -7.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.277 1.394 -3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.936 2.611 -5.006 1.00 0.00 H new ATOM 1137 N ARG A 75 9.680 -3.643 -4.857 1.00 0.00 N ATOM 1138 CA ARG A 75 10.333 -4.016 -3.612 1.00 0.00 C ATOM 1139 C ARG A 75 10.980 -5.376 -3.627 1.00 0.00 C ATOM 1140 O ARG A 75 11.716 -5.675 -2.701 1.00 0.00 O ATOM 1141 CB ARG A 75 9.329 -4.110 -2.436 1.00 0.00 C ATOM 1142 CG ARG A 75 8.794 -2.790 -1.872 1.00 0.00 C ATOM 1143 CD ARG A 75 8.246 -2.862 -0.430 1.00 0.00 C ATOM 1144 NE ARG A 75 8.407 -4.165 0.247 1.00 0.00 N ATOM 1145 CZ ARG A 75 7.449 -4.928 0.777 1.00 0.00 C ATOM 1146 NH1 ARG A 75 6.181 -4.565 0.696 1.00 0.00 N ATOM 1147 NH2 ARG A 75 7.768 -6.060 1.390 1.00 0.00 N ATOM 0 H ARG A 75 8.691 -3.424 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 75 11.077 -3.228 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.479 -4.708 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.809 -4.656 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.594 -2.050 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.001 -2.429 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.743 -2.098 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.185 -2.611 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 75 9.360 -4.523 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.928 -3.696 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.455 -5.154 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.745 -6.347 1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.037 -6.644 1.796 1.00 0.00 H new ATOM 1161 N ALA A 76 10.717 -6.201 -4.615 1.00 0.00 N ATOM 1162 CA ALA A 76 11.387 -7.483 -4.705 1.00 0.00 C ATOM 1163 C ALA A 76 12.528 -7.492 -5.682 1.00 0.00 C ATOM 1164 O ALA A 76 13.474 -8.258 -5.523 1.00 0.00 O ATOM 1165 CB ALA A 76 10.401 -8.599 -4.988 1.00 0.00 C ATOM 0 H ALA A 76 10.050 -6.012 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 76 11.833 -7.663 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.934 -9.548 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.666 -8.647 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.894 -8.405 -5.933 1.00 0.00 H new ATOM 1171 N ALA A 77 12.467 -6.578 -6.631 1.00 0.00 N ATOM 1172 CA ALA A 77 13.477 -6.463 -7.665 1.00 0.00 C ATOM 1173 C ALA A 77 14.544 -5.487 -7.269 1.00 0.00 C ATOM 1174 O ALA A 77 15.735 -5.671 -7.498 1.00 0.00 O ATOM 1175 CB ALA A 77 12.816 -6.032 -8.981 1.00 0.00 C ATOM 0 H ALA A 77 11.715 -5.893 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 77 13.951 -7.435 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.575 -5.946 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.076 -6.776 -9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.326 -5.068 -8.843 1.00 0.00 H new ATOM 1181 N ASN A 78 14.071 -4.468 -6.588 1.00 0.00 N ATOM 1182 CA ASN A 78 14.840 -3.557 -5.818 1.00 0.00 C ATOM 1183 C ASN A 78 15.188 -4.138 -4.457 1.00 0.00 C ATOM 1184 O ASN A 78 15.999 -3.582 -3.722 1.00 0.00 O ATOM 1185 CB ASN A 78 13.979 -2.308 -5.735 1.00 0.00 C ATOM 1186 CG ASN A 78 14.847 -1.055 -5.589 1.00 0.00 C ATOM 1187 OD1 ASN A 78 14.788 -0.147 -6.399 1.00 0.00 O ATOM 1188 ND2 ASN A 78 15.720 -0.972 -4.597 1.00 0.00 N ATOM 0 H ASN A 78 13.074 -4.253 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 78 15.808 -3.335 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.363 -2.226 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.299 -2.386 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.329 -0.157 -4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.784 -1.723 -3.909 1.00 0.00 H new ATOM 1195 N GLY A 79 14.543 -5.253 -4.136 1.00 0.00 N ATOM 1196 CA GLY A 79 14.817 -6.077 -2.956 1.00 0.00 C ATOM 1197 C GLY A 79 14.587 -5.301 -1.659 1.00 0.00 C ATOM 1198 O GLY A 79 15.180 -5.614 -0.632 1.00 0.00 O ATOM 0 H GLY A 79 13.786 -5.625 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.176 -6.959 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.847 -6.431 -2.991 1.00 0.00 H new ATOM 1202 N LYS A 80 13.753 -4.263 -1.752 1.00 0.00 N ATOM 1203 CA LYS A 80 13.624 -3.156 -0.778 1.00 0.00 C ATOM 1204 C LYS A 80 13.665 -3.521 0.712 1.00 0.00 C ATOM 1205 O LYS A 80 14.577 -3.204 1.467 1.00 0.00 O ATOM 1206 CB LYS A 80 12.363 -2.354 -0.999 1.00 0.00 C ATOM 1207 CG LYS A 80 12.363 -1.799 -2.383 1.00 0.00 C ATOM 1208 CD LYS A 80 13.059 -0.601 -2.725 1.00 0.00 C ATOM 1209 CE LYS A 80 12.555 0.560 -1.938 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.349 1.797 -2.066 1.00 0.00 N ATOM 0 H LYS A 80 13.116 -4.158 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 80 14.529 -2.585 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.487 -2.985 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.302 -1.545 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.751 -2.583 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.320 -1.644 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.125 -0.732 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.941 -0.400 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.531 0.771 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.519 0.277 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.707 2.078 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.150 1.631 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.750 2.556 -2.449 1.00 0.00 H new ATOM 1224 N SER A 81 12.536 -4.087 1.093 1.00 0.00 N ATOM 1225 CA SER A 81 11.899 -4.248 2.377 1.00 0.00 C ATOM 1226 C SER A 81 11.039 -5.467 2.247 1.00 0.00 C ATOM 1227 O SER A 81 10.546 -5.839 1.177 1.00 0.00 O ATOM 1228 CB SER A 81 11.078 -3.014 2.744 1.00 0.00 C ATOM 1229 OG SER A 81 10.835 -2.104 1.679 1.00 0.00 O ATOM 0 H SER A 81 11.950 -4.516 0.377 1.00 0.00 H new ATOM 0 HA SER A 81 12.628 -4.363 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.119 -3.343 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.592 -2.481 3.544 1.00 0.00 H new ATOM 0 HG SER A 81 11.334 -1.275 1.836 1.00 0.00 H new ATOM 1235 N GLY A 82 10.849 -6.058 3.405 1.00 0.00 N ATOM 1236 CA GLY A 82 10.467 -7.448 3.505 1.00 0.00 C ATOM 1237 C GLY A 82 9.255 -7.764 4.327 1.00 0.00 C ATOM 1238 O GLY A 82 8.804 -8.901 4.381 1.00 0.00 O ATOM 0 H GLY A 82 10.955 -5.588 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.300 -7.827 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.310 -8.002 3.918 1.00 0.00 H new ATOM 1242 N PHE A 83 8.732 -6.713 4.917 1.00 0.00 N ATOM 1243 CA PHE A 83 7.895 -6.641 6.021 1.00 0.00 C ATOM 1244 C PHE A 83 8.330 -7.537 7.176 1.00 0.00 C ATOM 1245 O PHE A 83 9.405 -8.123 7.281 1.00 0.00 O ATOM 1246 CB PHE A 83 6.505 -7.005 5.586 1.00 0.00 C ATOM 1247 CG PHE A 83 5.837 -6.532 4.351 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.084 -5.353 4.374 1.00 0.00 C ATOM 1249 CD2 PHE A 83 5.623 -7.468 3.342 1.00 0.00 C ATOM 1250 CE1 PHE A 83 4.273 -5.035 3.288 1.00 0.00 C ATOM 1251 CE2 PHE A 83 4.802 -7.164 2.264 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.110 -5.938 2.220 1.00 0.00 C ATOM 0 H PHE A 83 8.932 -5.779 4.558 1.00 0.00 H new ATOM 0 HA PHE A 83 7.938 -5.620 6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.486 -8.094 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.851 -6.713 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.132 -4.694 5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.098 -8.436 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.762 -4.084 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.694 -7.871 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.469 -5.696 1.386 1.00 0.00 H new ATOM 1262 N LYS A 84 7.365 -7.503 8.055 1.00 0.00 N ATOM 1263 CA LYS A 84 6.901 -8.295 9.121 1.00 0.00 C ATOM 1264 C LYS A 84 6.134 -9.488 8.601 1.00 0.00 C ATOM 1265 O LYS A 84 5.907 -9.711 7.416 1.00 0.00 O ATOM 1266 CB LYS A 84 6.157 -7.354 10.016 1.00 0.00 C ATOM 1267 CG LYS A 84 6.254 -7.651 11.515 1.00 0.00 C ATOM 1268 CD LYS A 84 6.037 -6.328 12.226 1.00 0.00 C ATOM 1269 CE LYS A 84 5.960 -6.442 13.745 1.00 0.00 C ATOM 1270 NZ LYS A 84 5.793 -5.105 14.360 1.00 0.00 N ATOM 0 H LYS A 84 6.743 -6.696 7.997 1.00 0.00 H new ATOM 0 HA LYS A 84 7.689 -8.764 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.527 -6.344 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.105 -7.363 9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.503 -8.382 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.228 -8.072 11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.849 -5.650 11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.115 -5.878 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.125 -7.084 14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.866 -6.913 14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.491 -5.213 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.698 -4.593 14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.073 -4.569 13.835 1.00 0.00 H new ATOM 1284 N GLN A 85 5.718 -10.221 9.594 1.00 0.00 N ATOM 1285 CA GLN A 85 4.979 -11.473 9.572 1.00 0.00 C ATOM 1286 C GLN A 85 3.996 -11.539 10.728 1.00 0.00 C ATOM 1287 O GLN A 85 2.824 -11.855 10.548 1.00 0.00 O ATOM 1288 CB GLN A 85 5.884 -12.640 9.443 1.00 0.00 C ATOM 1289 CG GLN A 85 5.736 -13.473 8.163 1.00 0.00 C ATOM 1290 CD GLN A 85 6.938 -14.387 7.947 1.00 0.00 C ATOM 1291 OE1 GLN A 85 6.983 -15.515 8.417 1.00 0.00 O ATOM 1292 NE2 GLN A 85 7.950 -13.915 7.233 1.00 0.00 N ATOM 0 H GLN A 85 5.905 -9.930 10.554 1.00 0.00 H new ATOM 0 HA GLN A 85 4.364 -11.513 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.913 -12.284 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.722 -13.295 10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.828 -14.073 8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.625 -12.808 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.904 -12.973 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.774 -14.494 7.072 1.00 0.00 H new ATOM 1301 N GLY A 86 4.508 -11.138 11.879 1.00 0.00 N ATOM 1302 CA GLY A 86 3.837 -10.681 13.073 1.00 0.00 C ATOM 1303 C GLY A 86 4.865 -9.873 13.859 1.00 0.00 C ATOM 1304 O GLY A 86 4.448 -9.033 14.679 1.00 0.00 O ATOM 1305 OXT GLY A 86 6.071 -10.030 13.551 1.00 0.00 O ATOM 0 H GLY A 86 5.520 -11.126 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.971 -10.069 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.473 -11.523 13.661 1.00 0.00 H new