USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 372 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: B 24 ASN :FLIP amide:sc= -0.689 F(o=-1.8,f=-0.73) USER MOD Set 1.2: B 25 GLN :FLIP amide:sc= -0.0441 X(o=-0.94,f=-0.73) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.829 K(o=-0.83,f=-1.9!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.474 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.297 K(o=-0.3,f=-2!) USER MOD Single : A 18 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.21) USER MOD Single : A 19 TYR OH : rot -135:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.055) USER MOD Single : B 26 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-8.8!) USER MOD Single : B 30 SER OG : rot -78:sc= 0.435 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 180:sc= -0.282 USER MOD Single : B 48 THR OG1 : rot 9:sc= 0.589 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 9:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.139 5.486 2.261 1.00 0.00 N ATOM 2 CA GLY A 1 -8.233 6.694 2.024 1.00 0.00 C ATOM 3 C GLY A 1 -6.755 6.533 2.141 1.00 0.00 C ATOM 4 O GLY A 1 -6.109 7.188 2.934 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.133 5.769 2.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.907 4.738 1.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.995 5.128 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.443 7.069 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.534 7.472 2.726 1.00 0.00 H new ATOM 10 N ILE A 2 -6.185 5.657 1.360 1.00 0.00 N ATOM 11 CA ILE A 2 -4.713 5.439 1.428 1.00 0.00 C ATOM 12 C ILE A 2 -4.005 6.335 0.409 1.00 0.00 C ATOM 13 O ILE A 2 -2.872 6.730 0.598 1.00 0.00 O ATOM 14 CB ILE A 2 -4.403 3.974 1.119 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.845 3.105 2.299 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.898 3.806 0.897 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.932 1.648 1.850 1.00 0.00 C ATOM 0 H ILE A 2 -6.677 5.082 0.676 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.359 5.687 2.429 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.937 3.669 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.137 3.202 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.813 3.441 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.677 2.762 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.582 4.428 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.362 4.108 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.247 1.027 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.657 1.559 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.955 1.316 1.500 1.00 0.00 H new ATOM 29 N VAL A 3 -4.660 6.658 -0.672 1.00 0.00 N ATOM 30 CA VAL A 3 -4.013 7.524 -1.697 1.00 0.00 C ATOM 31 C VAL A 3 -3.695 8.886 -1.082 1.00 0.00 C ATOM 32 O VAL A 3 -2.681 9.489 -1.362 1.00 0.00 O ATOM 33 CB VAL A 3 -4.952 7.688 -2.901 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.685 6.371 -3.153 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.982 8.791 -2.626 1.00 0.00 C ATOM 0 H VAL A 3 -5.611 6.361 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.086 7.062 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.361 7.961 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.353 6.484 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.959 5.585 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.267 6.104 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.641 8.896 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.572 8.527 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.466 9.734 -2.446 1.00 0.00 H new ATOM 45 N GLU A 4 -4.557 9.369 -0.245 1.00 0.00 N ATOM 46 CA GLU A 4 -4.316 10.691 0.395 1.00 0.00 C ATOM 47 C GLU A 4 -3.264 10.545 1.497 1.00 0.00 C ATOM 48 O GLU A 4 -2.894 11.504 2.145 1.00 0.00 O ATOM 49 CB GLU A 4 -5.625 11.205 0.999 1.00 0.00 C ATOM 50 CG GLU A 4 -6.750 11.073 -0.032 1.00 0.00 C ATOM 51 CD GLU A 4 -7.660 12.300 0.043 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.162 13.395 -0.161 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.838 12.125 0.304 1.00 0.00 O ATOM 0 H GLU A 4 -5.424 8.907 0.028 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.956 11.398 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.871 10.637 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.514 12.246 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.330 10.980 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.327 10.168 0.158 1.00 0.00 H new ATOM 60 N GLN A 5 -2.779 9.353 1.719 1.00 0.00 N ATOM 61 CA GLN A 5 -1.755 9.155 2.784 1.00 0.00 C ATOM 62 C GLN A 5 -0.375 8.945 2.153 1.00 0.00 C ATOM 63 O GLN A 5 0.613 9.487 2.608 1.00 0.00 O ATOM 64 CB GLN A 5 -2.121 7.927 3.621 1.00 0.00 C ATOM 65 CG GLN A 5 -2.165 8.310 5.103 1.00 0.00 C ATOM 66 CD GLN A 5 -0.871 9.029 5.488 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.797 10.240 5.440 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.159 8.327 5.873 1.00 0.00 N ATOM 0 H GLN A 5 -3.047 8.510 1.210 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.727 10.040 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.089 7.536 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.390 7.134 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.022 8.955 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.293 7.418 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.097 7.310 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.027 8.795 6.134 1.00 0.00 H new ATOM 77 N CYS A 6 -0.294 8.155 1.116 1.00 0.00 N ATOM 78 CA CYS A 6 1.029 7.905 0.474 1.00 0.00 C ATOM 79 C CYS A 6 1.141 8.702 -0.826 1.00 0.00 C ATOM 80 O CYS A 6 2.219 9.088 -1.232 1.00 0.00 O ATOM 81 CB CYS A 6 1.173 6.412 0.177 1.00 0.00 C ATOM 82 SG CYS A 6 1.327 5.508 1.737 1.00 0.00 S ATOM 0 H CYS A 6 -1.084 7.673 0.687 1.00 0.00 H new ATOM 0 HA CYS A 6 1.822 8.222 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.307 6.055 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.049 6.236 -0.447 1.00 0.00 H new ATOM 87 N CYS A 7 0.045 8.957 -1.483 1.00 0.00 N ATOM 88 CA CYS A 7 0.114 9.735 -2.750 1.00 0.00 C ATOM 89 C CYS A 7 0.494 11.181 -2.436 1.00 0.00 C ATOM 90 O CYS A 7 0.740 11.974 -3.322 1.00 0.00 O ATOM 91 CB CYS A 7 -1.241 9.708 -3.450 1.00 0.00 C ATOM 92 SG CYS A 7 -0.997 9.894 -5.231 1.00 0.00 S ATOM 0 H CYS A 7 -0.890 8.663 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 7 0.864 9.291 -3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.754 8.770 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.874 10.511 -3.072 1.00 0.00 H new ATOM 97 N THR A 8 0.552 11.531 -1.181 1.00 0.00 N ATOM 98 CA THR A 8 0.930 12.921 -0.814 1.00 0.00 C ATOM 99 C THR A 8 2.406 12.934 -0.416 1.00 0.00 C ATOM 100 O THR A 8 3.109 13.904 -0.615 1.00 0.00 O ATOM 101 CB THR A 8 0.080 13.391 0.368 1.00 0.00 C ATOM 102 OG1 THR A 8 0.392 14.745 0.661 1.00 0.00 O ATOM 103 CG2 THR A 8 0.380 12.522 1.589 1.00 0.00 C ATOM 0 H THR A 8 0.354 10.913 -0.394 1.00 0.00 H new ATOM 0 HA THR A 8 0.763 13.588 -1.660 1.00 0.00 H new ATOM 0 HB THR A 8 -0.977 13.306 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.152 15.050 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.225 12.857 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.144 11.482 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.436 12.606 1.845 1.00 0.00 H new ATOM 111 N SER A 9 2.876 11.850 0.140 1.00 0.00 N ATOM 112 CA SER A 9 4.304 11.770 0.553 1.00 0.00 C ATOM 113 C SER A 9 4.785 10.327 0.391 1.00 0.00 C ATOM 114 O SER A 9 3.995 9.417 0.242 1.00 0.00 O ATOM 115 CB SER A 9 4.439 12.190 2.017 1.00 0.00 C ATOM 116 OG SER A 9 3.656 13.354 2.247 1.00 0.00 O ATOM 0 H SER A 9 2.327 11.011 0.327 1.00 0.00 H new ATOM 0 HA SER A 9 4.905 12.434 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.110 11.382 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.484 12.388 2.255 1.00 0.00 H new ATOM 0 HG SER A 9 3.740 13.624 3.185 1.00 0.00 H new ATOM 122 N ILE A 10 6.070 10.106 0.418 1.00 0.00 N ATOM 123 CA ILE A 10 6.583 8.714 0.262 1.00 0.00 C ATOM 124 C ILE A 10 6.467 7.973 1.596 1.00 0.00 C ATOM 125 O ILE A 10 7.168 8.266 2.544 1.00 0.00 O ATOM 126 CB ILE A 10 8.047 8.751 -0.180 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.261 9.921 -1.145 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.395 7.442 -0.889 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.202 9.875 -2.248 1.00 0.00 C ATOM 0 H ILE A 10 6.784 10.824 0.541 1.00 0.00 H new ATOM 0 HA ILE A 10 5.993 8.194 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 10 8.687 8.877 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.199 10.866 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.258 9.868 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.438 7.466 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.242 6.606 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.754 7.319 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.355 10.708 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.286 8.935 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.210 9.949 -1.803 1.00 0.00 H new ATOM 141 N CYS A 11 5.583 7.014 1.676 1.00 0.00 N ATOM 142 CA CYS A 11 5.414 6.253 2.947 1.00 0.00 C ATOM 143 C CYS A 11 6.583 5.282 3.125 1.00 0.00 C ATOM 144 O CYS A 11 7.550 5.310 2.390 1.00 0.00 O ATOM 145 CB CYS A 11 4.113 5.446 2.895 1.00 0.00 C ATOM 146 SG CYS A 11 2.694 6.561 2.791 1.00 0.00 S ATOM 0 H CYS A 11 4.970 6.725 0.914 1.00 0.00 H new ATOM 0 HA CYS A 11 5.384 6.956 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.124 4.778 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.029 4.820 3.783 1.00 0.00 H new ATOM 151 N SER A 12 6.488 4.413 4.092 1.00 0.00 N ATOM 152 CA SER A 12 7.573 3.421 4.323 1.00 0.00 C ATOM 153 C SER A 12 6.978 2.017 4.205 1.00 0.00 C ATOM 154 O SER A 12 5.909 1.748 4.713 1.00 0.00 O ATOM 155 CB SER A 12 8.155 3.617 5.725 1.00 0.00 C ATOM 156 OG SER A 12 7.175 3.262 6.692 1.00 0.00 O ATOM 0 H SER A 12 5.700 4.347 4.736 1.00 0.00 H new ATOM 0 HA SER A 12 8.367 3.554 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.047 3.003 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.461 4.654 5.863 1.00 0.00 H new ATOM 0 HG SER A 12 7.544 3.384 7.592 1.00 0.00 H new ATOM 162 N LEU A 13 7.650 1.123 3.531 1.00 0.00 N ATOM 163 CA LEU A 13 7.101 -0.254 3.379 1.00 0.00 C ATOM 164 C LEU A 13 6.521 -0.730 4.712 1.00 0.00 C ATOM 165 O LEU A 13 5.622 -1.546 4.751 1.00 0.00 O ATOM 166 CB LEU A 13 8.207 -1.208 2.930 1.00 0.00 C ATOM 167 CG LEU A 13 7.835 -1.799 1.569 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.020 -0.736 0.483 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.739 -2.997 1.268 1.00 0.00 C ATOM 0 H LEU A 13 8.551 1.286 3.081 1.00 0.00 H new ATOM 0 HA LEU A 13 6.312 -0.241 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.157 -0.678 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.338 -2.004 3.663 1.00 0.00 H new ATOM 0 HG LEU A 13 6.795 -2.124 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.755 -1.157 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.377 0.118 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.060 -0.411 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.474 -3.418 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.779 -2.672 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.608 -3.755 2.041 1.00 0.00 H new ATOM 181 N TYR A 14 7.017 -0.220 5.806 1.00 0.00 N ATOM 182 CA TYR A 14 6.476 -0.642 7.128 1.00 0.00 C ATOM 183 C TYR A 14 5.004 -0.236 7.213 1.00 0.00 C ATOM 184 O TYR A 14 4.151 -1.030 7.553 1.00 0.00 O ATOM 185 CB TYR A 14 7.264 0.042 8.249 1.00 0.00 C ATOM 186 CG TYR A 14 8.239 -0.982 8.880 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.812 -2.303 9.178 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.578 -0.627 9.169 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.701 -3.224 9.746 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.453 -1.560 9.738 1.00 0.00 C ATOM 191 CZ TYR A 14 10.016 -2.853 10.026 1.00 0.00 C ATOM 192 OH TYR A 14 10.886 -3.766 10.587 1.00 0.00 O ATOM 0 H TYR A 14 7.770 0.467 5.842 1.00 0.00 H new ATOM 0 HA TYR A 14 6.568 -1.723 7.237 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.817 0.894 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.582 0.428 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.795 -2.599 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.927 0.371 8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.367 -4.227 9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.472 -1.277 9.955 1.00 0.00 H new ATOM 0 HH TYR A 14 11.762 -3.346 10.716 1.00 0.00 H new ATOM 202 N GLN A 15 4.697 0.993 6.896 1.00 0.00 N ATOM 203 CA GLN A 15 3.278 1.441 6.948 1.00 0.00 C ATOM 204 C GLN A 15 2.477 0.670 5.897 1.00 0.00 C ATOM 205 O GLN A 15 1.396 0.181 6.159 1.00 0.00 O ATOM 206 CB GLN A 15 3.201 2.942 6.654 1.00 0.00 C ATOM 207 CG GLN A 15 3.402 3.731 7.950 1.00 0.00 C ATOM 208 CD GLN A 15 2.191 3.532 8.863 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.128 3.158 8.408 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.306 3.769 10.141 1.00 0.00 N ATOM 0 H GLN A 15 5.367 1.704 6.604 1.00 0.00 H new ATOM 0 HA GLN A 15 2.867 1.251 7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.963 3.220 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.235 3.187 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.309 3.398 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.532 4.790 7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.198 4.083 10.523 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.504 3.640 10.758 1.00 0.00 H new ATOM 219 N LEU A 16 3.007 0.548 4.709 1.00 0.00 N ATOM 220 CA LEU A 16 2.285 -0.200 3.643 1.00 0.00 C ATOM 221 C LEU A 16 1.969 -1.607 4.146 1.00 0.00 C ATOM 222 O LEU A 16 0.920 -2.154 3.869 1.00 0.00 O ATOM 223 CB LEU A 16 3.165 -0.286 2.393 1.00 0.00 C ATOM 224 CG LEU A 16 2.802 0.847 1.434 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.529 2.126 1.853 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.221 0.462 0.012 1.00 0.00 C ATOM 0 H LEU A 16 3.909 0.935 4.432 1.00 0.00 H new ATOM 0 HA LEU A 16 1.358 0.316 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.217 -0.218 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.026 -1.250 1.903 1.00 0.00 H new ATOM 0 HG LEU A 16 1.726 1.018 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.269 2.933 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.231 2.399 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.606 1.958 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.963 1.269 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.297 0.291 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.701 -0.448 -0.287 1.00 0.00 H new ATOM 238 N GLU A 17 2.861 -2.193 4.894 1.00 0.00 N ATOM 239 CA GLU A 17 2.608 -3.550 5.424 1.00 0.00 C ATOM 240 C GLU A 17 1.273 -3.546 6.167 1.00 0.00 C ATOM 241 O GLU A 17 0.536 -4.511 6.153 1.00 0.00 O ATOM 242 CB GLU A 17 3.737 -3.916 6.382 1.00 0.00 C ATOM 243 CG GLU A 17 4.973 -4.318 5.576 1.00 0.00 C ATOM 244 CD GLU A 17 4.796 -5.744 5.053 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.138 -5.903 4.037 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.319 -6.652 5.676 1.00 0.00 O ATOM 0 H GLU A 17 3.757 -1.784 5.159 1.00 0.00 H new ATOM 0 HA GLU A 17 2.568 -4.279 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.970 -3.070 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.428 -4.737 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.118 -3.629 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.864 -4.256 6.201 1.00 0.00 H new ATOM 253 N ASN A 18 0.954 -2.456 6.809 1.00 0.00 N ATOM 254 CA ASN A 18 -0.335 -2.374 7.548 1.00 0.00 C ATOM 255 C ASN A 18 -1.491 -2.275 6.549 1.00 0.00 C ATOM 256 O ASN A 18 -2.622 -2.587 6.865 1.00 0.00 O ATOM 257 CB ASN A 18 -0.331 -1.136 8.446 1.00 0.00 C ATOM 258 CG ASN A 18 -0.260 -1.569 9.910 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.477 -0.999 10.690 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.002 -2.561 10.320 1.00 0.00 N ATOM 0 H ASN A 18 1.533 -1.617 6.853 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.459 -3.267 8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.520 -0.499 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.231 -0.545 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.963 -2.858 11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.621 -3.040 9.665 1.00 0.00 H new ATOM 267 N TYR A 19 -1.220 -1.842 5.346 1.00 0.00 N ATOM 268 CA TYR A 19 -2.314 -1.726 4.339 1.00 0.00 C ATOM 269 C TYR A 19 -2.901 -3.112 4.065 1.00 0.00 C ATOM 270 O TYR A 19 -4.062 -3.250 3.733 1.00 0.00 O ATOM 271 CB TYR A 19 -1.765 -1.152 3.030 1.00 0.00 C ATOM 272 CG TYR A 19 -1.125 0.247 3.301 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.122 0.817 4.610 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.525 0.994 2.254 1.00 0.00 C ATOM 275 CE1 TYR A 19 -0.542 2.071 4.834 1.00 0.00 C ATOM 276 CE2 TYR A 19 0.048 2.243 2.502 1.00 0.00 C ATOM 277 CZ TYR A 19 0.040 2.780 3.786 1.00 0.00 C ATOM 278 OH TYR A 19 0.606 4.016 4.021 1.00 0.00 O ATOM 0 H TYR A 19 -0.294 -1.565 5.019 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.086 -1.063 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.021 -1.828 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.566 -1.061 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.570 0.278 5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.511 0.591 1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.546 2.493 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.500 2.796 1.692 1.00 0.00 H new ATOM 0 HH TYR A 19 0.323 4.643 3.324 1.00 0.00 H new ATOM 288 N CYS A 20 -2.107 -4.140 4.197 1.00 0.00 N ATOM 289 CA CYS A 20 -2.620 -5.515 3.940 1.00 0.00 C ATOM 290 C CYS A 20 -3.340 -6.026 5.187 1.00 0.00 C ATOM 291 O CYS A 20 -3.041 -7.085 5.702 1.00 0.00 O ATOM 292 CB CYS A 20 -1.450 -6.443 3.603 1.00 0.00 C ATOM 293 SG CYS A 20 -0.636 -5.862 2.094 1.00 0.00 S ATOM 0 H CYS A 20 -1.126 -4.087 4.472 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.316 -5.496 3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.738 -6.463 4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.809 -7.463 3.466 1.00 0.00 H new ATOM 298 N ASN A 21 -4.287 -5.276 5.676 1.00 0.00 N ATOM 299 CA ASN A 21 -5.032 -5.710 6.892 1.00 0.00 C ATOM 300 C ASN A 21 -6.391 -5.008 6.933 1.00 0.00 C ATOM 301 O ASN A 21 -7.337 -5.618 7.406 1.00 0.00 O ATOM 302 CB ASN A 21 -4.228 -5.342 8.140 1.00 0.00 C ATOM 303 CG ASN A 21 -4.368 -6.450 9.186 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.718 -6.190 10.320 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.108 -7.684 8.850 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.464 -3.873 6.492 1.00 0.00 O ATOM 0 H ASN A 21 -4.578 -4.380 5.286 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.182 -6.789 6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.178 -5.203 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.583 -4.396 8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.199 -8.430 9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.814 -7.902 7.898 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.129 -0.693 0.413 1.00 0.00 N ATOM 315 CA PHE B 22 12.794 0.253 -0.526 1.00 0.00 C ATOM 316 C PHE B 22 11.740 1.156 -1.170 1.00 0.00 C ATOM 317 O PHE B 22 10.812 0.691 -1.801 1.00 0.00 O ATOM 318 CB PHE B 22 13.523 -0.542 -1.612 1.00 0.00 C ATOM 319 CG PHE B 22 12.535 -1.404 -2.363 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.231 -2.692 -1.899 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.923 -0.917 -3.526 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.315 -3.491 -2.598 1.00 0.00 C ATOM 323 CE2 PHE B 22 11.008 -1.717 -4.225 1.00 0.00 C ATOM 324 CZ PHE B 22 10.704 -3.003 -3.761 1.00 0.00 C ATOM 0 HA PHE B 22 13.511 0.867 0.018 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.023 0.139 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.296 -1.165 -1.163 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.702 -3.069 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.156 0.075 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE B 22 11.080 -4.483 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE B 22 10.537 -1.341 -5.122 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.999 -3.619 -4.299 1.00 0.00 H new ATOM 336 N VAL B 23 11.871 2.447 -1.017 1.00 0.00 N ATOM 337 CA VAL B 23 10.870 3.371 -1.625 1.00 0.00 C ATOM 338 C VAL B 23 11.561 4.632 -2.124 1.00 0.00 C ATOM 339 O VAL B 23 12.720 4.867 -1.853 1.00 0.00 O ATOM 340 CB VAL B 23 9.819 3.776 -0.592 1.00 0.00 C ATOM 341 CG1 VAL B 23 8.589 2.889 -0.742 1.00 0.00 C ATOM 342 CG2 VAL B 23 10.393 3.630 0.815 1.00 0.00 C ATOM 0 H VAL B 23 12.624 2.900 -0.500 1.00 0.00 H new ATOM 0 HA VAL B 23 10.390 2.851 -2.454 1.00 0.00 H new ATOM 0 HB VAL B 23 9.536 4.816 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL B 23 7.840 3.178 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL B 23 8.176 3.006 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL B 23 8.870 1.848 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL B 23 9.640 3.920 1.547 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.683 2.593 0.984 1.00 0.00 H new ATOM 0 HG23 VAL B 23 11.267 4.273 0.920 1.00 0.00 H new ATOM 352 N ASN B 24 10.831 5.445 -2.837 1.00 0.00 N ATOM 353 CA ASN B 24 11.390 6.721 -3.375 1.00 0.00 C ATOM 354 C ASN B 24 10.421 7.297 -4.410 1.00 0.00 C ATOM 355 O ASN B 24 10.338 8.493 -4.602 1.00 0.00 O ATOM 356 CB ASN B 24 12.741 6.469 -4.051 1.00 0.00 C ATOM 357 CG ASN B 24 12.523 5.678 -5.342 1.00 0.00 C ATOM 358 OD1 ASN B 24 12.236 6.316 -6.444 1.00 0.00 O flip ATOM 359 ND2 ASN B 24 12.613 4.466 -5.347 1.00 0.00 N flip ATOM 0 H ASN B 24 9.853 5.277 -3.074 1.00 0.00 H new ATOM 0 HA ASN B 24 11.527 7.421 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.233 7.417 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.399 5.917 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN B 24 12.837 3.968 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN B 24 12.464 3.947 -6.212 1.00 0.00 H new ATOM 366 N GLN B 25 9.696 6.447 -5.081 1.00 0.00 N ATOM 367 CA GLN B 25 8.734 6.930 -6.117 1.00 0.00 C ATOM 368 C GLN B 25 7.400 7.294 -5.461 1.00 0.00 C ATOM 369 O GLN B 25 7.281 7.335 -4.253 1.00 0.00 O ATOM 370 CB GLN B 25 8.509 5.827 -7.152 1.00 0.00 C ATOM 371 CG GLN B 25 9.583 5.919 -8.238 1.00 0.00 C ATOM 372 CD GLN B 25 10.197 4.536 -8.465 1.00 0.00 C ATOM 373 OE1 GLN B 25 9.424 3.485 -8.471 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 11.394 4.411 -8.639 1.00 0.00 N flip ATOM 0 H GLN B 25 9.726 5.435 -4.958 1.00 0.00 H new ATOM 0 HA GLN B 25 9.145 7.814 -6.605 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.546 4.849 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.518 5.927 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.147 6.292 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.356 6.628 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN B 25 11.999 5.233 -8.634 1.00 0.00 H new ATOM 0 HE22 GLN B 25 11.793 3.485 -8.790 1.00 0.00 H new ATOM 383 N HIS B 26 6.395 7.563 -6.253 1.00 0.00 N ATOM 384 CA HIS B 26 5.070 7.930 -5.678 1.00 0.00 C ATOM 385 C HIS B 26 4.029 6.894 -6.120 1.00 0.00 C ATOM 386 O HIS B 26 4.370 5.864 -6.667 1.00 0.00 O ATOM 387 CB HIS B 26 4.671 9.316 -6.188 1.00 0.00 C ATOM 388 CG HIS B 26 4.097 10.123 -5.058 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.376 9.815 -3.743 1.00 0.00 N ATOM 390 CD2 HIS B 26 3.296 11.230 -5.058 1.00 0.00 C ATOM 391 CE1 HIS B 26 3.750 10.732 -2.993 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.076 11.618 -3.754 1.00 0.00 N ATOM 0 H HIS B 26 6.436 7.544 -7.272 1.00 0.00 H new ATOM 0 HA HIS B 26 5.125 7.947 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.539 9.824 -6.607 1.00 0.00 H new ATOM 0 HB3 HIS B 26 3.939 9.223 -6.990 1.00 0.00 H new ATOM 0 HD2 HIS B 26 2.900 11.720 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS B 26 3.781 10.758 -1.914 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.520 12.410 -3.432 1.00 0.00 H new ATOM 400 N LEU B 27 2.764 7.143 -5.890 1.00 0.00 N ATOM 401 CA LEU B 27 1.734 6.142 -6.307 1.00 0.00 C ATOM 402 C LEU B 27 0.347 6.803 -6.393 1.00 0.00 C ATOM 403 O LEU B 27 0.247 7.994 -6.537 1.00 0.00 O ATOM 404 CB LEU B 27 1.718 4.979 -5.302 1.00 0.00 C ATOM 405 CG LEU B 27 2.245 5.440 -3.945 1.00 0.00 C ATOM 406 CD1 LEU B 27 1.200 6.326 -3.267 1.00 0.00 C ATOM 407 CD2 LEU B 27 2.514 4.211 -3.079 1.00 0.00 C ATOM 0 H LEU B 27 2.403 7.983 -5.438 1.00 0.00 H new ATOM 0 HA LEU B 27 1.985 5.756 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.703 4.597 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.329 4.158 -5.677 1.00 0.00 H new ATOM 0 HG LEU B 27 3.165 6.009 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.576 6.655 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.999 7.195 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.279 5.760 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.891 4.527 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.589 3.651 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.254 3.577 -3.567 1.00 0.00 H new ATOM 419 N CYS B 28 -0.704 6.010 -6.332 1.00 0.00 N ATOM 420 CA CYS B 28 -2.126 6.502 -6.428 1.00 0.00 C ATOM 421 C CYS B 28 -2.973 5.452 -7.147 1.00 0.00 C ATOM 422 O CYS B 28 -2.530 4.824 -8.088 1.00 0.00 O ATOM 423 CB CYS B 28 -2.262 7.842 -7.177 1.00 0.00 C ATOM 424 SG CYS B 28 -2.708 9.173 -6.016 1.00 0.00 S ATOM 0 H CYS B 28 -0.630 4.999 -6.215 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.470 6.666 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.324 8.084 -7.676 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.023 7.757 -7.953 1.00 0.00 H new ATOM 429 N GLY B 29 -4.192 5.269 -6.707 1.00 0.00 N ATOM 430 CA GLY B 29 -5.099 4.273 -7.350 1.00 0.00 C ATOM 431 C GLY B 29 -4.308 3.048 -7.817 1.00 0.00 C ATOM 432 O GLY B 29 -3.711 2.341 -7.030 1.00 0.00 O ATOM 0 H GLY B 29 -4.601 5.774 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -5.871 3.967 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -5.607 4.730 -8.199 1.00 0.00 H new ATOM 436 N SER B 30 -4.309 2.792 -9.096 1.00 0.00 N ATOM 437 CA SER B 30 -3.570 1.613 -9.632 1.00 0.00 C ATOM 438 C SER B 30 -2.204 1.493 -8.953 1.00 0.00 C ATOM 439 O SER B 30 -1.921 0.519 -8.286 1.00 0.00 O ATOM 440 CB SER B 30 -3.374 1.781 -11.139 1.00 0.00 C ATOM 441 OG SER B 30 -3.830 0.610 -11.806 1.00 0.00 O ATOM 0 H SER B 30 -4.793 3.352 -9.798 1.00 0.00 H new ATOM 0 HA SER B 30 -4.147 0.710 -9.432 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.924 2.653 -11.494 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.322 1.955 -11.363 1.00 0.00 H new ATOM 0 HG SER B 30 -3.154 -0.095 -11.728 1.00 0.00 H new ATOM 447 N ASP B 31 -1.348 2.465 -9.123 1.00 0.00 N ATOM 448 CA ASP B 31 -0.001 2.382 -8.489 1.00 0.00 C ATOM 449 C ASP B 31 -0.153 1.889 -7.051 1.00 0.00 C ATOM 450 O ASP B 31 0.708 1.214 -6.524 1.00 0.00 O ATOM 451 CB ASP B 31 0.670 3.759 -8.486 1.00 0.00 C ATOM 452 CG ASP B 31 0.576 4.390 -9.879 1.00 0.00 C ATOM 453 OD1 ASP B 31 -0.297 3.997 -10.634 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.383 5.258 -10.166 1.00 0.00 O ATOM 0 H ASP B 31 -1.522 3.308 -9.670 1.00 0.00 H new ATOM 0 HA ASP B 31 0.619 1.689 -9.057 1.00 0.00 H new ATOM 0 HB2 ASP B 31 0.189 4.405 -7.752 1.00 0.00 H new ATOM 0 HB3 ASP B 31 1.715 3.663 -8.191 1.00 0.00 H new ATOM 459 N LEU B 32 -1.243 2.214 -6.411 1.00 0.00 N ATOM 460 CA LEU B 32 -1.438 1.750 -5.010 1.00 0.00 C ATOM 461 C LEU B 32 -1.638 0.233 -5.005 1.00 0.00 C ATOM 462 O LEU B 32 -0.807 -0.505 -4.515 1.00 0.00 O ATOM 463 CB LEU B 32 -2.661 2.434 -4.400 1.00 0.00 C ATOM 464 CG LEU B 32 -2.220 3.293 -3.212 1.00 0.00 C ATOM 465 CD1 LEU B 32 -1.772 4.669 -3.712 1.00 0.00 C ATOM 466 CD2 LEU B 32 -3.390 3.457 -2.239 1.00 0.00 C ATOM 0 H LEU B 32 -2.002 2.777 -6.795 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.559 2.005 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -3.156 3.054 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -3.385 1.687 -4.075 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.389 2.807 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.458 5.279 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.937 4.551 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.601 5.158 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.077 4.069 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.222 3.942 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.706 2.477 -1.881 1.00 0.00 H new ATOM 478 N VAL B 33 -2.724 -0.246 -5.554 1.00 0.00 N ATOM 479 CA VAL B 33 -2.944 -1.719 -5.578 1.00 0.00 C ATOM 480 C VAL B 33 -1.699 -2.385 -6.158 1.00 0.00 C ATOM 481 O VAL B 33 -1.369 -3.508 -5.830 1.00 0.00 O ATOM 482 CB VAL B 33 -4.164 -2.056 -6.439 1.00 0.00 C ATOM 483 CG1 VAL B 33 -5.394 -1.356 -5.870 1.00 0.00 C ATOM 484 CG2 VAL B 33 -3.934 -1.585 -7.876 1.00 0.00 C ATOM 0 H VAL B 33 -3.461 0.314 -5.983 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.126 -2.082 -4.566 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.318 -3.135 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.264 -1.595 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.565 -1.694 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -5.233 -0.278 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.806 -1.828 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.775 -0.507 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.056 -2.084 -8.286 1.00 0.00 H new ATOM 494 N GLU B 34 -0.994 -1.690 -7.007 1.00 0.00 N ATOM 495 CA GLU B 34 0.241 -2.264 -7.594 1.00 0.00 C ATOM 496 C GLU B 34 1.339 -2.209 -6.537 1.00 0.00 C ATOM 497 O GLU B 34 1.883 -3.219 -6.140 1.00 0.00 O ATOM 498 CB GLU B 34 0.650 -1.440 -8.814 1.00 0.00 C ATOM 499 CG GLU B 34 0.132 -2.120 -10.081 1.00 0.00 C ATOM 500 CD GLU B 34 -1.258 -1.576 -10.419 1.00 0.00 C ATOM 501 OE1 GLU B 34 -1.336 -0.448 -10.877 1.00 0.00 O ATOM 502 OE2 GLU B 34 -2.221 -2.297 -10.213 1.00 0.00 O ATOM 0 H GLU B 34 -1.224 -0.746 -7.318 1.00 0.00 H new ATOM 0 HA GLU B 34 0.075 -3.295 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.245 -0.431 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.735 -1.346 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.817 -1.939 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.086 -3.199 -9.935 1.00 0.00 H new ATOM 509 N ALA B 35 1.651 -1.034 -6.056 1.00 0.00 N ATOM 510 CA ALA B 35 2.694 -0.921 -5.002 1.00 0.00 C ATOM 511 C ALA B 35 2.265 -1.784 -3.815 1.00 0.00 C ATOM 512 O ALA B 35 3.030 -2.565 -3.284 1.00 0.00 O ATOM 513 CB ALA B 35 2.820 0.538 -4.558 1.00 0.00 C ATOM 0 H ALA B 35 1.229 -0.153 -6.348 1.00 0.00 H new ATOM 0 HA ALA B 35 3.658 -1.256 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA B 35 3.585 0.618 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.100 1.155 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA B 35 1.865 0.881 -4.160 1.00 0.00 H new ATOM 519 N LEU B 36 1.029 -1.653 -3.411 1.00 0.00 N ATOM 520 CA LEU B 36 0.510 -2.465 -2.275 1.00 0.00 C ATOM 521 C LEU B 36 0.706 -3.945 -2.593 1.00 0.00 C ATOM 522 O LEU B 36 0.849 -4.774 -1.717 1.00 0.00 O ATOM 523 CB LEU B 36 -0.991 -2.195 -2.120 1.00 0.00 C ATOM 524 CG LEU B 36 -1.230 -0.922 -1.305 1.00 0.00 C ATOM 525 CD1 LEU B 36 -1.205 -1.268 0.180 1.00 0.00 C ATOM 526 CD2 LEU B 36 -0.145 0.117 -1.613 1.00 0.00 C ATOM 0 H LEU B 36 0.352 -1.012 -3.824 1.00 0.00 H new ATOM 0 HA LEU B 36 1.039 -2.203 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.451 -2.095 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.469 -3.042 -1.629 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.200 -0.502 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -1.375 -0.365 0.767 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.988 -1.995 0.398 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.235 -1.692 0.439 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.327 1.018 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.833 -0.291 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.169 0.364 -2.674 1.00 0.00 H new ATOM 538 N TYR B 37 0.691 -4.273 -3.853 1.00 0.00 N ATOM 539 CA TYR B 37 0.853 -5.694 -4.268 1.00 0.00 C ATOM 540 C TYR B 37 2.337 -6.065 -4.295 1.00 0.00 C ATOM 541 O TYR B 37 2.694 -7.226 -4.322 1.00 0.00 O ATOM 542 CB TYR B 37 0.245 -5.878 -5.662 1.00 0.00 C ATOM 543 CG TYR B 37 0.388 -7.359 -6.091 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.604 -8.311 -5.749 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.515 -7.795 -6.830 1.00 0.00 C ATOM 546 CE1 TYR B 37 -0.468 -9.649 -6.141 1.00 0.00 C ATOM 547 CE2 TYR B 37 1.636 -9.137 -7.212 1.00 0.00 C ATOM 548 CZ TYR B 37 0.648 -10.059 -6.871 1.00 0.00 C ATOM 549 OH TYR B 37 0.775 -11.379 -7.253 1.00 0.00 O ATOM 0 H TYR B 37 0.572 -3.612 -4.621 1.00 0.00 H new ATOM 0 HA TYR B 37 0.343 -6.343 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -0.806 -5.590 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR B 37 0.748 -5.229 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.470 -8.003 -5.183 1.00 0.00 H new ATOM 0 HD2 TYR B 37 2.286 -7.088 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.231 -10.367 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR B 37 2.500 -9.459 -7.774 1.00 0.00 H new ATOM 0 HH TYR B 37 1.609 -11.496 -7.755 1.00 0.00 H new ATOM 559 N LEU B 38 3.209 -5.093 -4.270 1.00 0.00 N ATOM 560 CA LEU B 38 4.666 -5.414 -4.275 1.00 0.00 C ATOM 561 C LEU B 38 5.112 -5.617 -2.833 1.00 0.00 C ATOM 562 O LEU B 38 5.786 -6.573 -2.504 1.00 0.00 O ATOM 563 CB LEU B 38 5.478 -4.273 -4.899 1.00 0.00 C ATOM 564 CG LEU B 38 4.598 -3.456 -5.840 1.00 0.00 C ATOM 565 CD1 LEU B 38 5.419 -2.320 -6.454 1.00 0.00 C ATOM 566 CD2 LEU B 38 4.063 -4.354 -6.953 1.00 0.00 C ATOM 0 H LEU B 38 2.979 -4.100 -4.247 1.00 0.00 H new ATOM 0 HA LEU B 38 4.834 -6.314 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.879 -3.631 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.329 -4.679 -5.446 1.00 0.00 H new ATOM 0 HG LEU B 38 3.763 -3.039 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU B 38 4.789 -1.738 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU B 38 5.797 -1.675 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU B 38 6.257 -2.737 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.435 -3.767 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU B 38 4.898 -4.775 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.474 -5.161 -6.518 1.00 0.00 H new ATOM 578 N VAL B 39 4.722 -4.726 -1.966 1.00 0.00 N ATOM 579 CA VAL B 39 5.100 -4.864 -0.537 1.00 0.00 C ATOM 580 C VAL B 39 4.414 -6.107 0.029 1.00 0.00 C ATOM 581 O VAL B 39 4.830 -6.666 1.025 1.00 0.00 O ATOM 582 CB VAL B 39 4.638 -3.618 0.226 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.962 -2.370 -0.596 1.00 0.00 C ATOM 584 CG2 VAL B 39 3.127 -3.686 0.461 1.00 0.00 C ATOM 0 H VAL B 39 4.156 -3.907 -2.188 1.00 0.00 H new ATOM 0 HA VAL B 39 6.181 -4.964 -0.436 1.00 0.00 H new ATOM 0 HB VAL B 39 5.153 -3.573 1.185 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.634 -1.483 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL B 39 6.037 -2.315 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.446 -2.422 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.803 -2.798 1.004 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.611 -3.733 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.889 -4.575 1.045 1.00 0.00 H new ATOM 594 N CYS B 40 3.360 -6.542 -0.606 1.00 0.00 N ATOM 595 CA CYS B 40 2.635 -7.745 -0.119 1.00 0.00 C ATOM 596 C CYS B 40 2.650 -8.819 -1.210 1.00 0.00 C ATOM 597 O CYS B 40 1.769 -9.650 -1.287 1.00 0.00 O ATOM 598 CB CYS B 40 1.187 -7.371 0.208 1.00 0.00 C ATOM 599 SG CYS B 40 1.045 -6.976 1.969 1.00 0.00 S ATOM 0 H CYS B 40 2.970 -6.112 -1.445 1.00 0.00 H new ATOM 0 HA CYS B 40 3.122 -8.127 0.778 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.877 -6.516 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.522 -8.196 -0.045 1.00 0.00 H new ATOM 604 N GLY B 41 3.641 -8.805 -2.059 1.00 0.00 N ATOM 605 CA GLY B 41 3.707 -9.824 -3.146 1.00 0.00 C ATOM 606 C GLY B 41 3.357 -11.202 -2.582 1.00 0.00 C ATOM 607 O GLY B 41 2.880 -12.069 -3.287 1.00 0.00 O ATOM 0 H GLY B 41 4.408 -8.132 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.015 -9.561 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY B 41 4.706 -9.841 -3.581 1.00 0.00 H new ATOM 611 N GLU B 42 3.591 -11.413 -1.316 1.00 0.00 N ATOM 612 CA GLU B 42 3.273 -12.737 -0.711 1.00 0.00 C ATOM 613 C GLU B 42 1.848 -12.721 -0.160 1.00 0.00 C ATOM 614 O GLU B 42 1.219 -13.748 -0.002 1.00 0.00 O ATOM 615 CB GLU B 42 4.254 -13.023 0.425 1.00 0.00 C ATOM 616 CG GLU B 42 4.031 -14.443 0.947 1.00 0.00 C ATOM 617 CD GLU B 42 5.352 -15.009 1.471 1.00 0.00 C ATOM 618 OE1 GLU B 42 6.350 -14.312 1.381 1.00 0.00 O ATOM 619 OE2 GLU B 42 5.345 -16.130 1.953 1.00 0.00 O ATOM 0 H GLU B 42 3.988 -10.726 -0.675 1.00 0.00 H new ATOM 0 HA GLU B 42 3.357 -13.513 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU B 42 5.279 -12.911 0.071 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.114 -12.302 1.230 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.285 -14.436 1.742 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.642 -15.077 0.151 1.00 0.00 H new ATOM 626 N ARG B 43 1.337 -11.562 0.132 1.00 0.00 N ATOM 627 CA ARG B 43 -0.047 -11.468 0.673 1.00 0.00 C ATOM 628 C ARG B 43 -0.958 -10.835 -0.381 1.00 0.00 C ATOM 629 O ARG B 43 -0.500 -10.169 -1.288 1.00 0.00 O ATOM 630 CB ARG B 43 -0.043 -10.602 1.934 1.00 0.00 C ATOM 631 CG ARG B 43 -1.382 -10.751 2.657 1.00 0.00 C ATOM 632 CD ARG B 43 -1.242 -10.259 4.099 1.00 0.00 C ATOM 633 NE ARG B 43 -1.784 -11.288 5.031 1.00 0.00 N ATOM 634 CZ ARG B 43 -2.277 -10.928 6.185 1.00 0.00 C ATOM 635 NH1 ARG B 43 -3.248 -10.058 6.237 1.00 0.00 N ATOM 636 NH2 ARG B 43 -1.799 -11.440 7.286 1.00 0.00 N ATOM 0 H ARG B 43 1.819 -10.670 0.019 1.00 0.00 H new ATOM 0 HA ARG B 43 -0.413 -12.464 0.921 1.00 0.00 H new ATOM 0 HB2 ARG B 43 0.773 -10.902 2.592 1.00 0.00 H new ATOM 0 HB3 ARG B 43 0.126 -9.558 1.671 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -2.152 -10.179 2.140 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -1.699 -11.794 2.647 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -0.194 -10.062 4.327 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -1.778 -9.319 4.227 1.00 0.00 H new ATOM 0 HE ARG B 43 -1.770 -12.273 4.767 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -3.622 -9.659 5.376 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -3.633 -9.777 7.139 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -1.041 -12.121 7.245 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -2.184 -11.159 8.188 1.00 0.00 H new ATOM 650 N GLY B 44 -2.243 -11.036 -0.274 1.00 0.00 N ATOM 651 CA GLY B 44 -3.172 -10.441 -1.276 1.00 0.00 C ATOM 652 C GLY B 44 -4.617 -10.786 -0.913 1.00 0.00 C ATOM 653 O GLY B 44 -4.910 -11.872 -0.453 1.00 0.00 O ATOM 0 H GLY B 44 -2.689 -11.585 0.461 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -3.044 -9.359 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.938 -10.818 -2.271 1.00 0.00 H new ATOM 657 N GLY B 45 -5.523 -9.870 -1.119 1.00 0.00 N ATOM 658 CA GLY B 45 -6.951 -10.145 -0.790 1.00 0.00 C ATOM 659 C GLY B 45 -7.409 -9.205 0.326 1.00 0.00 C ATOM 660 O GLY B 45 -8.234 -8.338 0.120 1.00 0.00 O ATOM 0 H GLY B 45 -5.337 -8.943 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -7.572 -10.006 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -7.070 -11.182 -0.477 1.00 0.00 H new ATOM 664 N PHE B 46 -6.881 -9.371 1.507 1.00 0.00 N ATOM 665 CA PHE B 46 -7.286 -8.487 2.638 1.00 0.00 C ATOM 666 C PHE B 46 -6.780 -7.072 2.385 1.00 0.00 C ATOM 667 O PHE B 46 -6.008 -6.529 3.150 1.00 0.00 O ATOM 668 CB PHE B 46 -6.675 -9.013 3.927 1.00 0.00 C ATOM 669 CG PHE B 46 -7.730 -8.896 5.071 1.00 0.00 C ATOM 670 CD1 PHE B 46 -9.105 -9.195 4.834 1.00 0.00 C ATOM 671 CD2 PHE B 46 -7.356 -8.484 6.376 1.00 0.00 C ATOM 672 CE1 PHE B 46 -10.043 -9.086 5.867 1.00 0.00 C ATOM 673 CE2 PHE B 46 -8.312 -8.381 7.393 1.00 0.00 C ATOM 674 CZ PHE B 46 -9.649 -8.682 7.140 1.00 0.00 C ATOM 0 H PHE B 46 -6.186 -10.081 1.739 1.00 0.00 H new ATOM 0 HA PHE B 46 -8.373 -8.476 2.721 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -6.368 -10.051 3.802 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -5.780 -8.444 4.180 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -9.424 -9.508 3.851 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.323 -8.248 6.587 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -11.080 -9.317 5.675 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.011 -8.066 8.381 1.00 0.00 H new ATOM 0 HZ PHE B 46 -10.380 -8.602 7.931 1.00 0.00 H new ATOM 684 N TYR B 47 -7.202 -6.477 1.313 1.00 0.00 N ATOM 685 CA TYR B 47 -6.739 -5.097 0.999 1.00 0.00 C ATOM 686 C TYR B 47 -7.913 -4.116 1.055 1.00 0.00 C ATOM 687 O TYR B 47 -7.719 -2.921 1.140 1.00 0.00 O ATOM 688 CB TYR B 47 -6.125 -5.070 -0.403 1.00 0.00 C ATOM 689 CG TYR B 47 -5.791 -3.591 -0.773 1.00 0.00 C ATOM 690 CD1 TYR B 47 -4.726 -2.897 -0.128 1.00 0.00 C ATOM 691 CD2 TYR B 47 -6.544 -2.888 -1.751 1.00 0.00 C ATOM 692 CE1 TYR B 47 -4.439 -1.567 -0.461 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.238 -1.558 -2.068 1.00 0.00 C ATOM 694 CZ TYR B 47 -5.190 -0.902 -1.427 1.00 0.00 C ATOM 695 OH TYR B 47 -4.899 0.408 -1.746 1.00 0.00 O ATOM 0 H TYR B 47 -7.849 -6.883 0.637 1.00 0.00 H new ATOM 0 HA TYR B 47 -5.993 -4.801 1.736 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.222 -5.680 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.820 -5.494 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.136 -3.401 0.623 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.360 -3.384 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.629 -1.053 0.035 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -6.819 -1.038 -2.815 1.00 0.00 H new ATOM 0 HH TYR B 47 -5.517 0.721 -2.439 1.00 0.00 H new ATOM 705 N THR B 48 -9.125 -4.604 1.006 1.00 0.00 N ATOM 706 CA THR B 48 -10.300 -3.673 1.051 1.00 0.00 C ATOM 707 C THR B 48 -11.629 -4.449 1.125 1.00 0.00 C ATOM 708 O THR B 48 -12.650 -3.895 1.481 1.00 0.00 O ATOM 709 CB THR B 48 -10.296 -2.793 -0.209 1.00 0.00 C ATOM 710 OG1 THR B 48 -9.299 -1.790 -0.086 1.00 0.00 O ATOM 711 CG2 THR B 48 -11.663 -2.127 -0.387 1.00 0.00 C ATOM 0 H THR B 48 -9.355 -5.595 0.937 1.00 0.00 H new ATOM 0 HA THR B 48 -10.215 -3.057 1.946 1.00 0.00 H new ATOM 0 HB THR B 48 -10.084 -3.418 -1.077 1.00 0.00 H new ATOM 0 HG1 THR B 48 -8.750 -1.970 0.705 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.651 -1.505 -1.282 1.00 0.00 H new ATOM 0 HG22 THR B 48 -12.431 -2.894 -0.488 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.882 -1.507 0.482 1.00 0.00 H new ATOM 719 N LYS B 49 -11.640 -5.708 0.783 1.00 0.00 N ATOM 720 CA LYS B 49 -12.914 -6.484 0.833 1.00 0.00 C ATOM 721 C LYS B 49 -12.818 -7.553 1.926 1.00 0.00 C ATOM 722 O LYS B 49 -12.469 -8.684 1.655 1.00 0.00 O ATOM 723 CB LYS B 49 -13.154 -7.161 -0.519 1.00 0.00 C ATOM 724 CG LYS B 49 -14.553 -7.781 -0.541 1.00 0.00 C ATOM 725 CD LYS B 49 -15.324 -7.262 -1.755 1.00 0.00 C ATOM 726 CE LYS B 49 -14.657 -7.764 -3.037 1.00 0.00 C ATOM 727 NZ LYS B 49 -14.569 -6.648 -4.022 1.00 0.00 N ATOM 0 H LYS B 49 -10.823 -6.234 0.471 1.00 0.00 H new ATOM 0 HA LYS B 49 -13.741 -5.809 1.054 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.055 -6.433 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.401 -7.931 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -14.480 -8.868 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -15.087 -7.531 0.376 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -16.359 -7.602 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -15.346 -6.172 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.661 -8.147 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -15.230 -8.590 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -14.116 -6.989 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -15.525 -6.302 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.005 -5.873 -3.619 1.00 0.00 H new ATOM 741 N PRO B 50 -13.132 -7.156 3.133 1.00 0.00 N ATOM 742 CA PRO B 50 -13.093 -8.053 4.297 1.00 0.00 C ATOM 743 C PRO B 50 -14.303 -8.989 4.299 1.00 0.00 C ATOM 744 O PRO B 50 -15.138 -8.944 3.417 1.00 0.00 O ATOM 745 CB PRO B 50 -13.139 -7.097 5.489 1.00 0.00 C ATOM 746 CG PRO B 50 -13.765 -5.784 4.969 1.00 0.00 C ATOM 747 CD PRO B 50 -13.555 -5.779 3.445 1.00 0.00 C ATOM 0 HA PRO B 50 -12.215 -8.699 4.308 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.734 -7.516 6.301 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -12.139 -6.921 5.885 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -14.826 -5.735 5.215 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -13.290 -4.918 5.430 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -14.472 -5.515 2.918 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.797 -5.053 3.150 1.00 0.00 H new ATOM 755 N THR B 51 -14.404 -9.839 5.284 1.00 0.00 N ATOM 756 CA THR B 51 -15.559 -10.777 5.343 1.00 0.00 C ATOM 757 C THR B 51 -15.722 -11.466 3.987 1.00 0.00 C ATOM 758 O THR B 51 -16.523 -10.994 3.197 1.00 0.00 O ATOM 759 CB THR B 51 -16.831 -9.997 5.677 1.00 0.00 C ATOM 760 OG1 THR B 51 -17.160 -9.145 4.588 1.00 0.00 O ATOM 761 CG2 THR B 51 -16.602 -9.155 6.933 1.00 0.00 C ATOM 762 OXT THR B 51 -15.042 -12.454 3.760 1.00 0.00 O ATOM 0 H THR B 51 -13.736 -9.924 6.050 1.00 0.00 H new ATOM 0 HA THR B 51 -15.382 -11.528 6.113 1.00 0.00 H new ATOM 0 HB THR B 51 -17.649 -10.695 5.855 1.00 0.00 H new ATOM 0 HG1 THR B 51 -16.580 -9.351 3.825 1.00 0.00 H new ATOM 0 HG21 THR B 51 -17.510 -8.600 7.169 1.00 0.00 H new ATOM 0 HG22 THR B 51 -16.349 -9.808 7.768 1.00 0.00 H new ATOM 0 HG23 THR B 51 -15.784 -8.456 6.758 1.00 0.00 H new TER 770 THR B 51