USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.55 K(o=1.2,f=0.06) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.686 K(o=1.2,f=0.06) USER MOD Single : A 1 GLY N :NH3+ -165:sc= 1.16 (180deg=0.981) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 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 18 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.0192 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.103 K(o=0.1,f=-1.1) USER MOD Single : B 4 GLN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.18) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.601 -3.058 -0.720 1.00 0.00 N ATOM 2 CA GLY A 1 0.727 -2.743 -1.872 1.00 0.00 C ATOM 3 C GLY A 1 0.943 -1.329 -2.395 1.00 0.00 C ATOM 4 O GLY A 1 1.734 -0.563 -1.848 1.00 0.00 O ATOM 0 H1 GLY A 1 1.609 -4.086 -0.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.568 -2.731 -0.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.241 -2.579 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.916 -3.457 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.315 -2.863 -1.577 1.00 0.00 H new ATOM 10 N ILE A 2 0.238 -0.973 -3.474 1.00 0.00 N ATOM 11 CA ILE A 2 0.416 0.292 -4.215 1.00 0.00 C ATOM 12 C ILE A 2 -0.172 1.526 -3.505 1.00 0.00 C ATOM 13 O ILE A 2 0.465 2.577 -3.469 1.00 0.00 O ATOM 14 CB ILE A 2 -0.121 0.121 -5.657 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.176 1.371 -6.510 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.619 -0.239 -5.709 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.238 1.235 -7.981 1.00 0.00 C ATOM 0 H ILE A 2 -0.491 -1.567 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 2 1.485 0.501 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 2 0.413 -0.728 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.341 2.226 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.244 1.586 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.932 -0.344 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.786 -1.179 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.200 0.551 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.004 2.155 -8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.298 0.401 -8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.311 1.052 -8.042 1.00 0.00 H new ATOM 29 N VAL A 3 -1.365 1.417 -2.910 1.00 0.00 N ATOM 30 CA VAL A 3 -2.114 2.560 -2.344 1.00 0.00 C ATOM 31 C VAL A 3 -1.347 3.215 -1.199 1.00 0.00 C ATOM 32 O VAL A 3 -1.116 4.420 -1.191 1.00 0.00 O ATOM 33 CB VAL A 3 -3.503 2.123 -1.834 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.373 3.338 -1.496 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.238 1.252 -2.854 1.00 0.00 C ATOM 0 H VAL A 3 -1.849 0.525 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.240 3.283 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.331 1.535 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.346 3.001 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.887 3.929 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.506 3.950 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.211 0.967 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.375 1.812 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.652 0.356 -3.056 1.00 0.00 H new ATOM 45 N GLU A 4 -0.885 2.405 -0.254 1.00 0.00 N ATOM 46 CA GLU A 4 -0.069 2.855 0.888 1.00 0.00 C ATOM 47 C GLU A 4 1.312 3.424 0.487 1.00 0.00 C ATOM 48 O GLU A 4 1.905 4.194 1.242 1.00 0.00 O ATOM 49 CB GLU A 4 0.082 1.698 1.890 1.00 0.00 C ATOM 50 CG GLU A 4 0.959 0.571 1.328 1.00 0.00 C ATOM 51 CD GLU A 4 0.949 -0.689 2.210 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.209 -0.598 3.435 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.711 -1.794 1.663 1.00 0.00 O1- ATOM 0 H GLU A 4 -1.064 1.401 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.598 3.688 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.520 2.073 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.902 1.303 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.612 0.311 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.983 0.930 1.227 1.00 0.00 H new ATOM 60 N GLN A 5 1.824 3.069 -0.698 1.00 0.00 N ATOM 61 CA GLN A 5 3.094 3.573 -1.237 1.00 0.00 C ATOM 62 C GLN A 5 2.931 4.879 -2.027 1.00 0.00 C ATOM 63 O GLN A 5 3.834 5.715 -1.989 1.00 0.00 O ATOM 64 CB GLN A 5 3.741 2.490 -2.119 1.00 0.00 C ATOM 65 CG GLN A 5 4.386 1.361 -1.299 1.00 0.00 C ATOM 66 CD GLN A 5 5.653 1.825 -0.585 1.00 0.00 C ATOM 67 OE1 GLN A 5 6.664 2.136 -1.204 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.655 1.911 0.729 1.00 0.00 N ATOM 0 H GLN A 5 1.358 2.410 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 5 3.741 3.803 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.985 2.066 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.498 2.950 -2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.670 0.992 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.626 0.526 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.821 1.656 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.490 2.233 1.218 1.00 0.00 H new ATOM 77 N CYS A 6 1.804 5.060 -2.725 1.00 0.00 N ATOM 78 CA CYS A 6 1.584 6.157 -3.675 1.00 0.00 C ATOM 79 C CYS A 6 0.554 7.212 -3.221 1.00 0.00 C ATOM 80 O CYS A 6 0.666 8.373 -3.612 1.00 0.00 O ATOM 81 CB CYS A 6 1.144 5.554 -5.014 1.00 0.00 C ATOM 82 SG CYS A 6 2.350 4.537 -5.911 1.00 0.00 S ATOM 0 H CYS A 6 1.002 4.435 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 6 2.529 6.694 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.258 4.945 -4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.841 6.372 -5.668 1.00 0.00 H new ATOM 87 N CYS A 7 -0.454 6.848 -2.417 1.00 0.00 N ATOM 88 CA CYS A 7 -1.569 7.755 -2.091 1.00 0.00 C ATOM 89 C CYS A 7 -1.286 8.641 -0.860 1.00 0.00 C ATOM 90 O CYS A 7 -1.697 9.802 -0.815 1.00 0.00 O ATOM 91 CB CYS A 7 -2.852 6.931 -1.904 1.00 0.00 C ATOM 92 SG CYS A 7 -4.381 7.908 -1.819 1.00 0.00 S ATOM 0 H CYS A 7 -0.522 5.930 -1.978 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.694 8.445 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.935 6.223 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.761 6.345 -0.989 1.00 0.00 H new ATOM 97 N THR A 8 -0.571 8.096 0.131 1.00 0.00 N ATOM 98 CA THR A 8 -0.191 8.773 1.393 1.00 0.00 C ATOM 99 C THR A 8 1.309 9.133 1.469 1.00 0.00 C ATOM 100 O THR A 8 1.727 9.949 2.297 1.00 0.00 O ATOM 101 CB THR A 8 -0.669 7.924 2.585 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.573 8.632 3.803 1.00 0.00 O ATOM 103 CG2 THR A 8 0.101 6.613 2.718 1.00 0.00 C ATOM 0 H THR A 8 -0.225 7.138 0.082 1.00 0.00 H new ATOM 0 HA THR A 8 -0.695 9.739 1.428 1.00 0.00 H new ATOM 0 HB THR A 8 -1.714 7.695 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.886 8.064 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.277 6.054 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.029 6.021 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.160 6.826 2.863 1.00 0.00 H new ATOM 111 N SER A 9 2.107 8.571 0.556 1.00 0.00 N ATOM 112 CA SER A 9 3.544 8.817 0.360 1.00 0.00 C ATOM 113 C SER A 9 3.855 8.964 -1.136 1.00 0.00 C ATOM 114 O SER A 9 3.040 8.597 -1.981 1.00 0.00 O ATOM 115 CB SER A 9 4.368 7.660 0.950 1.00 0.00 C ATOM 116 OG SER A 9 4.240 7.616 2.363 1.00 0.00 O ATOM 0 H SER A 9 1.746 7.888 -0.110 1.00 0.00 H new ATOM 0 HA SER A 9 3.811 9.741 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.035 6.715 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.417 7.780 0.679 1.00 0.00 H new ATOM 0 HG SER A 9 4.771 6.872 2.717 1.00 0.00 H new ATOM 122 N ILE A 10 5.036 9.480 -1.488 1.00 0.00 N ATOM 123 CA ILE A 10 5.492 9.551 -2.887 1.00 0.00 C ATOM 124 C ILE A 10 6.072 8.194 -3.322 1.00 0.00 C ATOM 125 O ILE A 10 6.864 7.588 -2.592 1.00 0.00 O ATOM 126 CB ILE A 10 6.481 10.723 -3.085 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.758 12.054 -2.763 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.056 10.748 -4.513 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.582 13.330 -2.972 1.00 0.00 C ATOM 0 H ILE A 10 5.704 9.860 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 10 4.641 9.758 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 10 7.323 10.588 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.862 12.118 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.427 12.024 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.746 11.586 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.586 9.816 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.243 10.860 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.977 14.200 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.465 13.302 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.891 13.397 -4.015 1.00 0.00 H new ATOM 141 N CYS A 11 5.713 7.748 -4.528 1.00 0.00 N ATOM 142 CA CYS A 11 6.246 6.549 -5.184 1.00 0.00 C ATOM 143 C CYS A 11 6.891 6.875 -6.547 1.00 0.00 C ATOM 144 O CYS A 11 6.750 7.991 -7.060 1.00 0.00 O ATOM 145 CB CYS A 11 5.133 5.499 -5.285 1.00 0.00 C ATOM 146 SG CYS A 11 3.801 5.856 -6.458 1.00 0.00 S ATOM 0 H CYS A 11 5.017 8.229 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 11 7.053 6.135 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.585 4.546 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.693 5.370 -4.296 1.00 0.00 H new ATOM 151 N SER A 12 7.606 5.908 -7.131 1.00 0.00 N ATOM 152 CA SER A 12 8.428 6.085 -8.342 1.00 0.00 C ATOM 153 C SER A 12 8.056 5.097 -9.452 1.00 0.00 C ATOM 154 O SER A 12 7.486 4.036 -9.189 1.00 0.00 O ATOM 155 CB SER A 12 9.918 5.939 -7.994 1.00 0.00 C ATOM 156 OG SER A 12 10.315 6.872 -6.999 1.00 0.00 O ATOM 0 H SER A 12 7.633 4.955 -6.769 1.00 0.00 H new ATOM 0 HA SER A 12 8.231 7.088 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.113 4.926 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.518 6.086 -8.892 1.00 0.00 H new ATOM 0 HG SER A 12 11.267 6.752 -6.799 1.00 0.00 H new ATOM 162 N LEU A 13 8.438 5.400 -10.701 1.00 0.00 N ATOM 163 CA LEU A 13 8.148 4.554 -11.869 1.00 0.00 C ATOM 164 C LEU A 13 8.674 3.112 -11.754 1.00 0.00 C ATOM 165 O LEU A 13 8.044 2.192 -12.270 1.00 0.00 O ATOM 166 CB LEU A 13 8.594 5.230 -13.182 1.00 0.00 C ATOM 167 CG LEU A 13 9.929 6.000 -13.256 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.143 5.245 -12.724 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.208 6.332 -14.723 1.00 0.00 C ATOM 0 H LEU A 13 8.961 6.245 -10.931 1.00 0.00 H new ATOM 0 HA LEU A 13 7.063 4.454 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.628 4.454 -13.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.806 5.926 -13.469 1.00 0.00 H new ATOM 0 HG LEU A 13 9.801 6.877 -12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.031 5.870 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.986 4.996 -11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.281 4.328 -13.297 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.149 6.877 -14.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.276 5.409 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.399 6.947 -15.117 1.00 0.00 H new ATOM 181 N TYR A 14 9.757 2.889 -11.005 1.00 0.00 N ATOM 182 CA TYR A 14 10.309 1.562 -10.716 1.00 0.00 C ATOM 183 C TYR A 14 9.332 0.667 -9.930 1.00 0.00 C ATOM 184 O TYR A 14 9.348 -0.555 -10.077 1.00 0.00 O ATOM 185 CB TYR A 14 11.609 1.741 -9.918 1.00 0.00 C ATOM 186 CG TYR A 14 12.648 2.635 -10.574 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.182 2.292 -11.832 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.076 3.813 -9.928 1.00 0.00 C ATOM 189 CE1 TYR A 14 14.139 3.125 -12.445 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.032 4.648 -10.538 1.00 0.00 C ATOM 191 CZ TYR A 14 14.566 4.306 -11.800 1.00 0.00 C ATOM 192 OH TYR A 14 15.492 5.106 -12.399 1.00 0.00 O ATOM 0 H TYR A 14 10.288 3.645 -10.572 1.00 0.00 H new ATOM 0 HA TYR A 14 10.496 1.060 -11.665 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.363 2.153 -8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.051 0.759 -9.748 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.857 1.389 -12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.669 4.076 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.546 2.860 -13.409 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.357 5.550 -10.041 1.00 0.00 H new ATOM 0 HH TYR A 14 15.677 5.879 -11.825 1.00 0.00 H new ATOM 202 N GLN A 15 8.457 1.276 -9.121 1.00 0.00 N ATOM 203 CA GLN A 15 7.395 0.594 -8.377 1.00 0.00 C ATOM 204 C GLN A 15 6.159 0.395 -9.267 1.00 0.00 C ATOM 205 O GLN A 15 5.618 -0.709 -9.332 1.00 0.00 O ATOM 206 CB GLN A 15 7.050 1.389 -7.105 1.00 0.00 C ATOM 207 CG GLN A 15 8.274 1.713 -6.238 1.00 0.00 C ATOM 208 CD GLN A 15 7.841 2.369 -4.934 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.890 3.581 -4.775 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.365 1.595 -3.983 1.00 0.00 N ATOM 0 H GLN A 15 8.470 2.284 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 15 7.747 -0.393 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.559 2.320 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.335 0.819 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.830 0.800 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.947 2.377 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.326 0.585 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.035 2.005 -3.109 1.00 0.00 H new ATOM 219 N LEU A 16 5.758 1.428 -10.021 1.00 0.00 N ATOM 220 CA LEU A 16 4.622 1.362 -10.951 1.00 0.00 C ATOM 221 C LEU A 16 4.799 0.285 -12.042 1.00 0.00 C ATOM 222 O LEU A 16 3.845 -0.412 -12.389 1.00 0.00 O ATOM 223 CB LEU A 16 4.383 2.742 -11.581 1.00 0.00 C ATOM 224 CG LEU A 16 4.093 3.915 -10.625 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.823 5.170 -11.452 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.889 3.678 -9.712 1.00 0.00 C ATOM 0 H LEU A 16 6.216 2.339 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 16 3.747 1.068 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.261 2.999 -12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.545 2.656 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 16 4.970 4.022 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.616 6.007 -10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.697 5.399 -12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.963 5.001 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.745 4.545 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.997 3.525 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.066 2.795 -9.098 1.00 0.00 H new ATOM 238 N GLU A 17 6.029 0.092 -12.527 1.00 0.00 N ATOM 239 CA GLU A 17 6.409 -0.992 -13.446 1.00 0.00 C ATOM 240 C GLU A 17 6.179 -2.396 -12.853 1.00 0.00 C ATOM 241 O GLU A 17 5.828 -3.322 -13.587 1.00 0.00 O ATOM 242 CB GLU A 17 7.896 -0.833 -13.818 1.00 0.00 C ATOM 243 CG GLU A 17 8.150 0.245 -14.883 1.00 0.00 C ATOM 244 CD GLU A 17 8.013 -0.328 -16.307 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.892 -0.729 -16.698 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 9.033 -0.396 -17.037 1.00 0.00 O ATOM 0 H GLU A 17 6.811 0.701 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 17 5.771 -0.911 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.462 -0.586 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.275 -1.788 -14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.444 1.064 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.149 0.661 -14.751 1.00 0.00 H new ATOM 253 N ASN A 18 6.324 -2.563 -11.533 1.00 0.00 N ATOM 254 CA ASN A 18 6.072 -3.834 -10.847 1.00 0.00 C ATOM 255 C ASN A 18 4.566 -4.068 -10.626 1.00 0.00 C ATOM 256 O ASN A 18 4.087 -5.184 -10.835 1.00 0.00 O ATOM 257 CB ASN A 18 6.863 -3.886 -9.524 1.00 0.00 C ATOM 258 CG ASN A 18 8.375 -3.951 -9.695 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.920 -4.180 -10.768 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.112 -3.787 -8.619 1.00 0.00 N ATOM 0 H ASN A 18 6.622 -1.814 -10.907 1.00 0.00 H new ATOM 0 HA ASN A 18 6.422 -4.647 -11.483 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.614 -3.005 -8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.537 -4.756 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.128 -3.851 -8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.668 -3.596 -7.721 1.00 0.00 H new ATOM 267 N TYR A 19 3.799 -3.027 -10.275 1.00 0.00 N ATOM 268 CA TYR A 19 2.343 -3.130 -10.076 1.00 0.00 C ATOM 269 C TYR A 19 1.569 -3.459 -11.366 1.00 0.00 C ATOM 270 O TYR A 19 0.485 -4.045 -11.299 1.00 0.00 O ATOM 271 CB TYR A 19 1.792 -1.842 -9.448 1.00 0.00 C ATOM 272 CG TYR A 19 2.459 -1.398 -8.157 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.631 -2.288 -7.079 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.874 -0.061 -8.026 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.246 -1.844 -5.890 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.522 0.378 -6.861 1.00 0.00 C ATOM 277 CZ TYR A 19 3.712 -0.515 -5.785 1.00 0.00 C ATOM 278 OH TYR A 19 4.316 -0.096 -4.641 1.00 0.00 O ATOM 0 H TYR A 19 4.168 -2.089 -10.120 1.00 0.00 H new ATOM 0 HA TYR A 19 2.190 -3.968 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.883 -1.037 -10.177 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.728 -1.980 -9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.292 -3.310 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.692 0.636 -8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.361 -2.522 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.874 1.396 -6.788 1.00 0.00 H new ATOM 0 HH TYR A 19 4.578 0.844 -4.735 1.00 0.00 H new ATOM 288 N CYS A 20 2.138 -3.167 -12.542 1.00 0.00 N ATOM 289 CA CYS A 20 1.590 -3.586 -13.839 1.00 0.00 C ATOM 290 C CYS A 20 1.499 -5.123 -13.995 1.00 0.00 C ATOM 291 O CYS A 20 0.651 -5.622 -14.739 1.00 0.00 O ATOM 292 CB CYS A 20 2.461 -2.984 -14.948 1.00 0.00 C ATOM 293 SG CYS A 20 1.747 -3.129 -16.610 1.00 0.00 S ATOM 0 H CYS A 20 3.000 -2.628 -12.621 1.00 0.00 H new ATOM 0 HA CYS A 20 0.566 -3.220 -13.907 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.633 -1.930 -14.729 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.434 -3.475 -14.938 1.00 0.00 H new ATOM 298 N ASN A 21 2.337 -5.880 -13.270 1.00 0.00 N ATOM 299 CA ASN A 21 2.414 -7.350 -13.288 1.00 0.00 C ATOM 300 C ASN A 21 2.443 -7.935 -14.714 1.00 0.00 C ATOM 301 O ASN A 21 3.434 -7.781 -15.442 1.00 0.00 O ATOM 302 CB ASN A 21 1.281 -7.952 -12.431 1.00 0.00 C ATOM 303 CG ASN A 21 1.518 -7.808 -10.936 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.107 -8.670 -10.296 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.070 -6.738 -10.319 1.00 0.00 N ATOM 0 H ASN A 21 3.010 -5.466 -12.626 1.00 0.00 H new ATOM 0 HA ASN A 21 3.368 -7.634 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.340 -7.467 -12.691 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.172 -9.009 -12.675 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.214 -6.630 -9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.578 -6.015 -10.844 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 9.162 11.069 -15.792 1.00 0.00 N ATOM 314 CA PHE B 1 8.378 10.992 -14.557 1.00 0.00 C ATOM 315 C PHE B 1 8.588 12.223 -13.657 1.00 0.00 C ATOM 316 O PHE B 1 9.668 12.822 -13.647 1.00 0.00 O ATOM 317 CB PHE B 1 8.735 9.690 -13.821 1.00 0.00 C ATOM 318 CG PHE B 1 7.854 9.361 -12.628 1.00 0.00 C ATOM 319 CD1 PHE B 1 6.605 8.742 -12.827 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.281 9.663 -11.319 1.00 0.00 C ATOM 321 CE1 PHE B 1 5.787 8.430 -11.727 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.460 9.352 -10.220 1.00 0.00 C ATOM 323 CZ PHE B 1 6.214 8.735 -10.423 1.00 0.00 C ATOM 0 H1 PHE B 1 9.663 10.170 -15.942 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.527 11.250 -16.596 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.854 11.842 -15.716 1.00 0.00 H new ATOM 0 HA PHE B 1 7.319 10.986 -14.815 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.683 8.864 -14.530 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.769 9.754 -13.482 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.274 8.506 -13.828 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.240 10.134 -11.160 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.830 7.956 -11.884 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.788 9.588 -9.218 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.585 8.495 -9.578 1.00 0.00 H new ATOM 333 N VAL B 2 7.562 12.584 -12.877 1.00 0.00 N ATOM 334 CA VAL B 2 7.588 13.677 -11.887 1.00 0.00 C ATOM 335 C VAL B 2 6.954 13.190 -10.584 1.00 0.00 C ATOM 336 O VAL B 2 5.821 12.700 -10.588 1.00 0.00 O ATOM 337 CB VAL B 2 6.863 14.939 -12.409 1.00 0.00 C ATOM 338 CG1 VAL B 2 6.929 16.089 -11.393 1.00 0.00 C ATOM 339 CG2 VAL B 2 7.471 15.455 -13.720 1.00 0.00 C ATOM 0 H VAL B 2 6.660 12.110 -12.916 1.00 0.00 H new ATOM 0 HA VAL B 2 8.626 13.957 -11.707 1.00 0.00 H new ATOM 0 HB VAL B 2 5.830 14.633 -12.574 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.409 16.959 -11.794 1.00 0.00 H new ATOM 0 HG12 VAL B 2 6.454 15.780 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.971 16.345 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.929 16.342 -14.048 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.519 15.708 -13.560 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.397 14.682 -14.484 1.00 0.00 H new ATOM 349 N ASN B 3 7.667 13.345 -9.465 1.00 0.00 N ATOM 350 CA ASN B 3 7.196 12.950 -8.136 1.00 0.00 C ATOM 351 C ASN B 3 5.870 13.619 -7.749 1.00 0.00 C ATOM 352 O ASN B 3 5.732 14.843 -7.795 1.00 0.00 O ATOM 353 CB ASN B 3 8.252 13.243 -7.056 1.00 0.00 C ATOM 354 CG ASN B 3 8.875 14.633 -7.138 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.743 14.897 -7.958 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.464 15.564 -6.306 1.00 0.00 N ATOM 0 H ASN B 3 8.601 13.754 -9.457 1.00 0.00 H new ATOM 0 HA ASN B 3 7.023 11.875 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.793 13.122 -6.075 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.045 12.499 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.869 16.499 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.740 15.351 -5.619 1.00 0.00 H new ATOM 363 N GLN B 4 4.918 12.795 -7.313 1.00 0.00 N ATOM 364 CA GLN B 4 3.629 13.203 -6.767 1.00 0.00 C ATOM 365 C GLN B 4 2.973 12.038 -6.009 1.00 0.00 C ATOM 366 O GLN B 4 3.234 10.863 -6.282 1.00 0.00 O ATOM 367 CB GLN B 4 2.719 13.732 -7.896 1.00 0.00 C ATOM 368 CG GLN B 4 2.344 12.685 -8.957 1.00 0.00 C ATOM 369 CD GLN B 4 2.059 13.324 -10.314 1.00 0.00 C ATOM 370 OE1 GLN B 4 0.943 13.716 -10.629 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.057 13.469 -11.162 1.00 0.00 N ATOM 0 H GLN B 4 5.031 11.782 -7.333 1.00 0.00 H new ATOM 0 HA GLN B 4 3.783 14.012 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN B 4 1.804 14.126 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.220 14.566 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.156 11.965 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN B 4 1.466 12.131 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN B 4 3.991 13.146 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN B 4 2.895 13.904 -12.070 1.00 0.00 H new ATOM 380 N HIS B 5 2.095 12.377 -5.072 1.00 0.00 N ATOM 381 CA HIS B 5 1.218 11.436 -4.357 1.00 0.00 C ATOM 382 C HIS B 5 0.080 10.926 -5.271 1.00 0.00 C ATOM 383 O HIS B 5 -1.056 11.402 -5.207 1.00 0.00 O ATOM 384 CB HIS B 5 0.671 12.094 -3.080 1.00 0.00 C ATOM 385 CG HIS B 5 1.705 12.450 -2.037 1.00 0.00 C ATOM 386 ND1 HIS B 5 1.862 11.810 -0.803 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.575 13.501 -2.098 1.00 0.00 C ATOM 388 CE1 HIS B 5 2.821 12.488 -0.151 1.00 0.00 C ATOM 389 NE2 HIS B 5 3.264 13.510 -0.904 1.00 0.00 N ATOM 0 H HIS B 5 1.964 13.344 -4.774 1.00 0.00 H new ATOM 0 HA HIS B 5 1.804 10.564 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.136 13.001 -3.360 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.058 11.421 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.699 14.190 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.184 12.247 0.837 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.987 14.178 -0.637 1.00 0.00 H new ATOM 397 N LEU B 6 0.396 9.984 -6.166 1.00 0.00 N ATOM 398 CA LEU B 6 -0.551 9.371 -7.110 1.00 0.00 C ATOM 399 C LEU B 6 -1.652 8.572 -6.392 1.00 0.00 C ATOM 400 O LEU B 6 -1.374 7.655 -5.619 1.00 0.00 O ATOM 401 CB LEU B 6 0.209 8.448 -8.079 1.00 0.00 C ATOM 402 CG LEU B 6 1.091 9.175 -9.100 1.00 0.00 C ATOM 403 CD1 LEU B 6 2.020 8.170 -9.775 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.262 9.874 -10.180 1.00 0.00 C ATOM 0 H LEU B 6 1.343 9.615 -6.258 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.036 10.178 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.834 7.770 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.514 7.834 -8.616 1.00 0.00 H new ATOM 0 HG LEU B 6 1.660 9.932 -8.561 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.648 8.686 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.650 7.695 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.426 7.410 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.928 10.376 -10.882 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.337 9.136 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.396 10.608 -9.715 1.00 0.00 H new ATOM 416 N CYS B 7 -2.914 8.875 -6.699 1.00 0.00 N ATOM 417 CA CYS B 7 -4.070 8.172 -6.121 1.00 0.00 C ATOM 418 C CYS B 7 -5.297 8.170 -7.053 1.00 0.00 C ATOM 419 O CYS B 7 -5.381 8.974 -7.983 1.00 0.00 O ATOM 420 CB CYS B 7 -4.385 8.773 -4.745 1.00 0.00 C ATOM 421 SG CYS B 7 -5.256 7.630 -3.638 1.00 0.00 S ATOM 0 H CYS B 7 -3.168 9.614 -7.355 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.809 7.121 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.454 9.085 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.991 9.669 -4.879 1.00 0.00 H new ATOM 426 N GLY B 8 -6.247 7.255 -6.824 1.00 0.00 N ATOM 427 CA GLY B 8 -7.473 7.126 -7.623 1.00 0.00 C ATOM 428 C GLY B 8 -7.192 6.867 -9.107 1.00 0.00 C ATOM 429 O GLY B 8 -6.294 6.098 -9.459 1.00 0.00 O ATOM 0 H GLY B 8 -6.185 6.573 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -8.076 6.310 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -8.063 8.037 -7.524 1.00 0.00 H new ATOM 433 N SER B 9 -7.932 7.541 -9.989 1.00 0.00 N ATOM 434 CA SER B 9 -7.760 7.436 -11.448 1.00 0.00 C ATOM 435 C SER B 9 -6.345 7.810 -11.909 1.00 0.00 C ATOM 436 O SER B 9 -5.805 7.157 -12.801 1.00 0.00 O ATOM 437 CB SER B 9 -8.773 8.332 -12.171 1.00 0.00 C ATOM 438 OG SER B 9 -10.098 8.016 -11.763 1.00 0.00 O ATOM 0 H SER B 9 -8.676 8.182 -9.713 1.00 0.00 H new ATOM 0 HA SER B 9 -7.928 6.390 -11.702 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.560 9.379 -11.956 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.678 8.202 -13.249 1.00 0.00 H new ATOM 0 HG SER B 9 -10.732 8.598 -12.232 1.00 0.00 H new ATOM 444 N HIS B 10 -5.698 8.792 -11.267 1.00 0.00 N ATOM 445 CA HIS B 10 -4.329 9.220 -11.600 1.00 0.00 C ATOM 446 C HIS B 10 -3.297 8.107 -11.380 1.00 0.00 C ATOM 447 O HIS B 10 -2.385 7.952 -12.188 1.00 0.00 O ATOM 448 CB HIS B 10 -3.957 10.463 -10.774 1.00 0.00 C ATOM 449 CG HIS B 10 -4.877 11.644 -10.982 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.453 12.412 -9.965 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.294 12.133 -12.188 1.00 0.00 C ATOM 452 CE1 HIS B 10 -6.201 13.344 -10.580 1.00 0.00 C ATOM 453 NE2 HIS B 10 -6.124 13.198 -11.914 1.00 0.00 N ATOM 0 H HIS B 10 -6.111 9.317 -10.496 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.311 9.464 -12.662 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -3.959 10.197 -9.717 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -2.939 10.761 -11.025 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -5.026 11.758 -13.165 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -6.781 14.102 -10.075 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -6.599 13.777 -12.606 1.00 0.00 H new ATOM 461 N LEU B 11 -3.465 7.296 -10.330 1.00 0.00 N ATOM 462 CA LEU B 11 -2.610 6.141 -10.036 1.00 0.00 C ATOM 463 C LEU B 11 -2.761 5.027 -11.082 1.00 0.00 C ATOM 464 O LEU B 11 -1.763 4.479 -11.555 1.00 0.00 O ATOM 465 CB LEU B 11 -2.971 5.657 -8.623 1.00 0.00 C ATOM 466 CG LEU B 11 -2.158 4.483 -8.057 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.672 4.825 -7.992 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.675 4.186 -6.647 1.00 0.00 C ATOM 0 H LEU B 11 -4.213 7.426 -9.648 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.560 6.431 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.868 6.500 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.023 5.372 -8.621 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.274 3.616 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.121 3.976 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.307 5.051 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.526 5.692 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.113 3.354 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.548 5.068 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.732 3.923 -6.695 1.00 0.00 H new ATOM 480 N VAL B 12 -4.003 4.733 -11.483 1.00 0.00 N ATOM 481 CA VAL B 12 -4.313 3.735 -12.521 1.00 0.00 C ATOM 482 C VAL B 12 -3.788 4.188 -13.887 1.00 0.00 C ATOM 483 O VAL B 12 -3.154 3.405 -14.591 1.00 0.00 O ATOM 484 CB VAL B 12 -5.828 3.443 -12.572 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.184 2.419 -13.658 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.326 2.879 -11.234 1.00 0.00 C ATOM 0 H VAL B 12 -4.831 5.184 -11.094 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.806 2.806 -12.260 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.307 4.396 -12.794 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.260 2.246 -13.656 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.880 2.801 -14.632 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.665 1.481 -13.458 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.396 2.682 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.799 1.951 -11.012 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.137 3.603 -10.441 1.00 0.00 H new ATOM 496 N GLU B 13 -3.973 5.461 -14.247 1.00 0.00 N ATOM 497 CA GLU B 13 -3.460 6.028 -15.499 1.00 0.00 C ATOM 498 C GLU B 13 -1.926 6.069 -15.529 1.00 0.00 C ATOM 499 O GLU B 13 -1.335 5.689 -16.537 1.00 0.00 O ATOM 500 CB GLU B 13 -4.037 7.435 -15.731 1.00 0.00 C ATOM 501 CG GLU B 13 -5.510 7.393 -16.163 1.00 0.00 C ATOM 502 CD GLU B 13 -6.058 8.815 -16.390 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.588 9.433 -15.433 1.00 0.00 O ATOM 504 OE2 GLU B 13 -5.974 9.326 -17.535 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.486 6.132 -13.675 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.785 5.372 -16.307 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.945 8.019 -14.815 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.450 7.945 -16.495 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.608 6.811 -17.079 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.103 6.888 -15.400 1.00 0.00 H new ATOM 511 N ALA B 14 -1.261 6.460 -14.437 1.00 0.00 N ATOM 512 CA ALA B 14 0.199 6.561 -14.390 1.00 0.00 C ATOM 513 C ALA B 14 0.903 5.209 -14.601 1.00 0.00 C ATOM 514 O ALA B 14 1.899 5.143 -15.326 1.00 0.00 O ATOM 515 CB ALA B 14 0.605 7.196 -13.057 1.00 0.00 C ATOM 0 H ALA B 14 -1.720 6.715 -13.563 1.00 0.00 H new ATOM 0 HA ALA B 14 0.523 7.191 -15.219 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.691 7.277 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.163 8.189 -12.977 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.251 6.574 -12.235 1.00 0.00 H new ATOM 521 N LEU B 15 0.372 4.118 -14.028 1.00 0.00 N ATOM 522 CA LEU B 15 0.967 2.786 -14.185 1.00 0.00 C ATOM 523 C LEU B 15 0.642 2.174 -15.555 1.00 0.00 C ATOM 524 O LEU B 15 1.486 1.508 -16.151 1.00 0.00 O ATOM 525 CB LEU B 15 0.640 1.887 -12.977 1.00 0.00 C ATOM 526 CG LEU B 15 -0.796 1.337 -12.856 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.024 0.062 -13.674 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.091 0.982 -11.397 1.00 0.00 C ATOM 0 H LEU B 15 -0.469 4.134 -13.451 1.00 0.00 H new ATOM 0 HA LEU B 15 2.053 2.883 -14.183 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.323 1.038 -12.997 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.860 2.451 -12.071 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.450 2.122 -13.234 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.053 -0.273 -13.546 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.838 0.268 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.343 -0.717 -13.331 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.106 0.594 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.384 0.225 -11.057 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.993 1.874 -10.778 1.00 0.00 H new ATOM 540 N TYR B 16 -0.543 2.463 -16.101 1.00 0.00 N ATOM 541 CA TYR B 16 -0.920 2.102 -17.469 1.00 0.00 C ATOM 542 C TYR B 16 -0.019 2.804 -18.501 1.00 0.00 C ATOM 543 O TYR B 16 0.468 2.163 -19.433 1.00 0.00 O ATOM 544 CB TYR B 16 -2.409 2.438 -17.666 1.00 0.00 C ATOM 545 CG TYR B 16 -2.819 2.759 -19.087 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.020 1.733 -20.029 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.964 4.107 -19.465 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.369 2.055 -21.355 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.310 4.434 -20.791 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.514 3.408 -21.740 1.00 0.00 C ATOM 551 OH TYR B 16 -3.847 3.731 -23.021 1.00 0.00 O ATOM 0 H TYR B 16 -1.277 2.961 -15.597 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.775 1.033 -17.627 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.004 1.594 -17.316 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.659 3.289 -17.033 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.907 0.700 -19.735 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.810 4.891 -18.738 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.526 1.268 -22.078 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.419 5.468 -21.082 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.905 4.705 -23.108 1.00 0.00 H new ATOM 561 N LEU B 17 0.267 4.095 -18.304 1.00 0.00 N ATOM 562 CA LEU B 17 1.092 4.900 -19.212 1.00 0.00 C ATOM 563 C LEU B 17 2.565 4.475 -19.196 1.00 0.00 C ATOM 564 O LEU B 17 3.167 4.323 -20.260 1.00 0.00 O ATOM 565 CB LEU B 17 0.973 6.387 -18.835 1.00 0.00 C ATOM 566 CG LEU B 17 -0.329 7.071 -19.294 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.440 8.454 -18.650 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.389 7.249 -20.814 1.00 0.00 C ATOM 0 H LEU B 17 -0.073 4.618 -17.497 1.00 0.00 H new ATOM 0 HA LEU B 17 0.720 4.737 -20.224 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.052 6.480 -17.752 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.819 6.924 -19.264 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.151 6.425 -18.987 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.362 8.935 -18.977 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.450 8.350 -17.565 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.413 9.064 -18.949 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.326 7.735 -21.087 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.449 7.865 -21.142 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.333 6.274 -21.297 1.00 0.00 H new ATOM 580 N VAL B 18 3.147 4.263 -18.010 1.00 0.00 N ATOM 581 CA VAL B 18 4.572 3.904 -17.874 1.00 0.00 C ATOM 582 C VAL B 18 4.857 2.469 -18.337 1.00 0.00 C ATOM 583 O VAL B 18 5.923 2.193 -18.888 1.00 0.00 O ATOM 584 CB VAL B 18 5.049 4.169 -16.434 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.636 3.088 -15.432 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.563 4.316 -16.353 1.00 0.00 C ATOM 0 H VAL B 18 2.652 4.334 -17.121 1.00 0.00 H new ATOM 0 HA VAL B 18 5.151 4.544 -18.540 1.00 0.00 H new ATOM 0 HB VAL B 18 4.555 5.102 -16.163 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.010 3.348 -14.442 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.549 3.016 -15.402 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.055 2.129 -15.738 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.856 4.502 -15.320 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.037 3.400 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.881 5.152 -16.976 1.00 0.00 H new ATOM 596 N CYS B 19 3.881 1.571 -18.176 1.00 0.00 N ATOM 597 CA CYS B 19 3.970 0.173 -18.608 1.00 0.00 C ATOM 598 C CYS B 19 3.661 0.010 -20.110 1.00 0.00 C ATOM 599 O CYS B 19 4.326 -0.756 -20.811 1.00 0.00 O ATOM 600 CB CYS B 19 3.027 -0.652 -17.726 1.00 0.00 C ATOM 601 SG CYS B 19 3.202 -2.446 -17.857 1.00 0.00 S ATOM 0 H CYS B 19 2.991 1.799 -17.734 1.00 0.00 H new ATOM 0 HA CYS B 19 4.991 -0.188 -18.487 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.187 -0.365 -16.687 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.000 -0.386 -17.976 1.00 0.00 H new ATOM 606 N GLY B 20 2.698 0.782 -20.626 1.00 0.00 N ATOM 607 CA GLY B 20 2.319 0.877 -22.041 1.00 0.00 C ATOM 608 C GLY B 20 3.178 1.853 -22.860 1.00 0.00 C ATOM 609 O GLY B 20 2.671 2.491 -23.785 1.00 0.00 O ATOM 0 H GLY B 20 2.131 1.391 -20.036 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.386 -0.114 -22.491 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.276 1.186 -22.106 1.00 0.00 H new ATOM 613 N GLU B 21 4.458 2.015 -22.506 1.00 0.00 N ATOM 614 CA GLU B 21 5.404 2.916 -23.182 1.00 0.00 C ATOM 615 C GLU B 21 5.695 2.532 -24.652 1.00 0.00 C ATOM 616 O GLU B 21 5.413 1.420 -25.112 1.00 0.00 O ATOM 617 CB GLU B 21 6.703 3.037 -22.352 1.00 0.00 C ATOM 618 CG GLU B 21 6.772 4.333 -21.523 1.00 0.00 C ATOM 619 CD GLU B 21 6.943 5.613 -22.371 1.00 0.00 C ATOM 620 OE1 GLU B 21 6.918 5.548 -23.620 1.00 0.00 O ATOM 621 OE2 GLU B 21 7.116 6.718 -21.806 1.00 0.00 O1- ATOM 0 H GLU B 21 4.877 1.512 -21.723 1.00 0.00 H new ATOM 0 HA GLU B 21 4.923 3.893 -23.240 1.00 0.00 H new ATOM 0 HB2 GLU B 21 6.781 2.180 -21.683 1.00 0.00 H new ATOM 0 HB3 GLU B 21 7.561 2.996 -23.023 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.862 4.421 -20.930 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.604 4.260 -20.822 1.00 0.00 H new ATOM 628 N ARG B 22 6.262 3.488 -25.397 1.00 0.00 N ATOM 629 CA ARG B 22 6.365 3.528 -26.870 1.00 0.00 C ATOM 630 C ARG B 22 7.283 2.480 -27.520 1.00 0.00 C ATOM 631 O ARG B 22 7.197 2.281 -28.733 1.00 0.00 O ATOM 632 CB ARG B 22 6.763 4.963 -27.272 1.00 0.00 C ATOM 633 CG ARG B 22 8.238 5.304 -26.969 1.00 0.00 C ATOM 634 CD ARG B 22 8.470 6.811 -26.809 1.00 0.00 C ATOM 635 NE ARG B 22 8.001 7.278 -25.489 1.00 0.00 N ATOM 636 CZ ARG B 22 8.040 8.498 -24.992 1.00 0.00 C ATOM 637 NH1 ARG B 22 8.455 9.520 -25.687 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 7.661 8.704 -23.765 1.00 0.00 N ATOM 0 H ARG B 22 6.689 4.308 -24.966 1.00 0.00 H new ATOM 0 HA ARG B 22 5.386 3.252 -27.261 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.580 5.097 -28.338 1.00 0.00 H new ATOM 0 HB3 ARG B 22 6.120 5.670 -26.747 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.546 4.793 -26.057 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.868 4.926 -27.774 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.531 7.034 -26.922 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.945 7.350 -27.598 1.00 0.00 H new ATOM 0 HE ARG B 22 7.595 6.565 -24.884 1.00 0.00 H new ATOM 0 HH11 ARG B 22 8.764 9.390 -26.650 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.471 10.450 -25.267 1.00 0.00 H new ATOM 0 HH21 ARG B 22 7.336 7.924 -23.194 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.689 9.646 -23.374 1.00 0.00 H new ATOM 652 N GLY B 23 8.159 1.832 -26.747 1.00 0.00 N ATOM 653 CA GLY B 23 9.103 0.812 -27.228 1.00 0.00 C ATOM 654 C GLY B 23 8.427 -0.440 -27.815 1.00 0.00 C ATOM 655 O GLY B 23 7.263 -0.734 -27.522 1.00 0.00 O ATOM 0 H GLY B 23 8.235 2.004 -25.745 1.00 0.00 H new ATOM 0 HA2 GLY B 23 9.745 1.256 -27.989 1.00 0.00 H new ATOM 0 HA3 GLY B 23 9.748 0.511 -26.403 1.00 0.00 H new HETATM 659 N DHI B 24 9.158 -1.184 -28.652 1.00 0.00 N HETATM 660 CA DHI B 24 8.626 -2.354 -29.374 1.00 0.00 C HETATM 661 C DHI B 24 7.904 -1.938 -30.663 1.00 0.00 C HETATM 662 O DHI B 24 6.727 -2.244 -30.849 1.00 0.00 O HETATM 663 CB DHI B 24 9.747 -3.369 -29.650 1.00 0.00 C HETATM 664 CG DHI B 24 10.329 -3.967 -28.392 1.00 0.00 C HETATM 665 ND1 DHI B 24 9.752 -4.992 -27.636 1.00 0.00 N HETATM 666 CD2 DHI B 24 11.495 -3.583 -27.795 1.00 0.00 C HETATM 667 CE1 DHI B 24 10.586 -5.204 -26.602 1.00 0.00 C HETATM 668 NE2 DHI B 24 11.641 -4.372 -26.674 1.00 0.00 N HETATM 0 HE2 DHI B 24 12.416 -4.332 -26.012 1.00 0.00 H new HETATM 0 HE1 DHI B 24 10.429 -5.944 -25.818 1.00 0.00 H new HETATM 0 HD2 DHI B 24 12.177 -2.805 -28.138 1.00 0.00 H new HETATM 0 HD1 DHI B 24 8.877 -5.480 -27.829 1.00 0.00 H new HETATM 0 HB3 DHI B 24 9.357 -4.170 -30.279 1.00 0.00 H new HETATM 0 HB2 DHI B 24 10.541 -2.879 -30.213 1.00 0.00 H new HETATM 0 HA DHI B 24 7.884 -2.838 -28.740 1.00 0.00 H new ATOM 676 N PHE B 25 8.603 -1.208 -31.542 1.00 0.00 N ATOM 677 CA PHE B 25 8.037 -0.527 -32.724 1.00 0.00 C ATOM 678 C PHE B 25 7.573 -1.448 -33.862 1.00 0.00 C ATOM 679 O PHE B 25 6.917 -1.025 -34.818 1.00 0.00 O ATOM 680 CB PHE B 25 9.054 0.491 -33.260 1.00 0.00 C ATOM 681 CG PHE B 25 9.747 1.292 -32.180 1.00 0.00 C ATOM 682 CD1 PHE B 25 9.119 2.418 -31.623 1.00 0.00 C ATOM 683 CD2 PHE B 25 10.990 0.859 -31.679 1.00 0.00 C ATOM 684 CE1 PHE B 25 9.736 3.119 -30.574 1.00 0.00 C ATOM 685 CE2 PHE B 25 11.608 1.562 -30.630 1.00 0.00 C ATOM 686 CZ PHE B 25 10.983 2.696 -30.080 1.00 0.00 C ATOM 0 H PHE B 25 9.609 -1.068 -31.451 1.00 0.00 H new ATOM 0 HA PHE B 25 7.128 -0.041 -32.370 1.00 0.00 H new ATOM 0 HB2 PHE B 25 9.806 -0.036 -33.847 1.00 0.00 H new ATOM 0 HB3 PHE B 25 8.545 1.177 -33.937 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.162 2.745 -32.001 1.00 0.00 H new ATOM 0 HD2 PHE B 25 11.468 -0.013 -32.101 1.00 0.00 H new ATOM 0 HE1 PHE B 25 9.252 3.984 -30.146 1.00 0.00 H new ATOM 0 HE2 PHE B 25 12.562 1.232 -30.247 1.00 0.00 H new ATOM 0 HZ PHE B 25 11.460 3.241 -29.279 1.00 0.00 H new ATOM 696 N TYR B 26 7.943 -2.710 -33.727 1.00 0.00 N ATOM 697 CA TYR B 26 7.777 -3.804 -34.693 1.00 0.00 C ATOM 698 C TYR B 26 7.121 -5.043 -34.062 1.00 0.00 C ATOM 699 O TYR B 26 7.175 -5.240 -32.844 1.00 0.00 O ATOM 700 CB TYR B 26 9.145 -4.197 -35.282 1.00 0.00 C ATOM 701 CG TYR B 26 10.084 -3.037 -35.545 1.00 0.00 C ATOM 702 CD1 TYR B 26 9.811 -2.129 -36.585 1.00 0.00 C ATOM 703 CD2 TYR B 26 11.195 -2.837 -34.703 1.00 0.00 C ATOM 704 CE1 TYR B 26 10.646 -1.013 -36.783 1.00 0.00 C ATOM 705 CE2 TYR B 26 12.031 -1.722 -34.897 1.00 0.00 C ATOM 706 CZ TYR B 26 11.760 -0.805 -35.937 1.00 0.00 C ATOM 707 OH TYR B 26 12.569 0.276 -36.112 1.00 0.00 O ATOM 0 H TYR B 26 8.404 -3.030 -32.876 1.00 0.00 H new ATOM 0 HA TYR B 26 7.117 -3.441 -35.481 1.00 0.00 H new ATOM 0 HB2 TYR B 26 9.632 -4.892 -34.598 1.00 0.00 H new ATOM 0 HB3 TYR B 26 8.981 -4.732 -36.217 1.00 0.00 H new ATOM 0 HD1 TYR B 26 8.961 -2.288 -37.231 1.00 0.00 H new ATOM 0 HD2 TYR B 26 11.405 -3.539 -33.909 1.00 0.00 H new ATOM 0 HE1 TYR B 26 10.436 -0.316 -37.581 1.00 0.00 H new ATOM 0 HE2 TYR B 26 12.881 -1.567 -34.250 1.00 0.00 H new ATOM 0 HH TYR B 26 13.284 0.262 -35.442 1.00 0.00 H new ATOM 717 N THR B 27 6.575 -5.928 -34.901 1.00 0.00 N ATOM 718 CA THR B 27 6.215 -7.304 -34.517 1.00 0.00 C ATOM 719 C THR B 27 6.453 -8.283 -35.681 1.00 0.00 C ATOM 720 O THR B 27 6.051 -7.988 -36.811 1.00 0.00 O ATOM 721 CB THR B 27 4.769 -7.388 -33.984 1.00 0.00 C ATOM 722 OG1 THR B 27 4.508 -8.676 -33.463 1.00 0.00 O ATOM 723 CG2 THR B 27 3.665 -7.052 -34.992 1.00 0.00 C ATOM 0 H THR B 27 6.367 -5.711 -35.876 1.00 0.00 H new ATOM 0 HA THR B 27 6.871 -7.601 -33.699 1.00 0.00 H new ATOM 0 HB THR B 27 4.731 -6.616 -33.215 1.00 0.00 H new ATOM 0 HG1 THR B 27 3.588 -8.713 -33.128 1.00 0.00 H new ATOM 0 HG21 THR B 27 2.692 -7.144 -34.510 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.798 -6.031 -35.350 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.719 -7.742 -35.834 1.00 0.00 H new ATOM 731 N PRO B 28 7.084 -9.450 -35.442 1.00 0.00 N ATOM 732 CA PRO B 28 7.092 -10.569 -36.387 1.00 0.00 C ATOM 733 C PRO B 28 5.676 -11.057 -36.744 1.00 0.00 C ATOM 734 O PRO B 28 4.748 -10.955 -35.932 1.00 0.00 O ATOM 735 CB PRO B 28 7.914 -11.674 -35.712 1.00 0.00 C ATOM 736 CG PRO B 28 8.838 -10.901 -34.772 1.00 0.00 C ATOM 737 CD PRO B 28 7.957 -9.741 -34.313 1.00 0.00 C ATOM 0 HA PRO B 28 7.526 -10.264 -37.339 1.00 0.00 H new ATOM 0 HB2 PRO B 28 7.279 -12.372 -35.167 1.00 0.00 H new ATOM 0 HB3 PRO B 28 8.478 -12.258 -36.440 1.00 0.00 H new ATOM 0 HG2 PRO B 28 9.168 -11.515 -33.934 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.735 -10.551 -35.283 1.00 0.00 H new ATOM 0 HD2 PRO B 28 7.380 -10.012 -33.429 1.00 0.00 H new ATOM 0 HD3 PRO B 28 8.559 -8.872 -34.047 1.00 0.00 H new ATOM 745 N LYS B 29 5.515 -11.603 -37.957 1.00 0.00 N ATOM 746 CA LYS B 29 4.250 -12.124 -38.510 1.00 0.00 C ATOM 747 C LYS B 29 4.477 -13.430 -39.285 1.00 0.00 C ATOM 748 O LYS B 29 5.571 -13.670 -39.807 1.00 0.00 O ATOM 749 CB LYS B 29 3.582 -11.068 -39.415 1.00 0.00 C ATOM 750 CG LYS B 29 3.152 -9.802 -38.654 1.00 0.00 C ATOM 751 CD LYS B 29 2.408 -8.823 -39.571 1.00 0.00 C ATOM 752 CE LYS B 29 2.023 -7.564 -38.784 1.00 0.00 C ATOM 753 NZ LYS B 29 1.295 -6.587 -39.638 1.00 0.00 N1+ ATOM 0 H LYS B 29 6.293 -11.699 -38.610 1.00 0.00 H new ATOM 0 HA LYS B 29 3.584 -12.342 -37.675 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.275 -10.789 -40.209 1.00 0.00 H new ATOM 0 HB3 LYS B 29 2.709 -11.510 -39.895 1.00 0.00 H new ATOM 0 HG2 LYS B 29 2.510 -10.079 -37.818 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.030 -9.313 -38.233 1.00 0.00 H new ATOM 0 HD2 LYS B 29 3.038 -8.554 -40.419 1.00 0.00 H new ATOM 0 HD3 LYS B 29 1.514 -9.297 -39.976 1.00 0.00 H new ATOM 0 HE2 LYS B 29 1.399 -7.842 -37.934 1.00 0.00 H new ATOM 0 HE3 LYS B 29 2.922 -7.097 -38.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 1.050 -5.748 -39.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 1.900 -6.304 -40.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 0.425 -7.025 -40.003 1.00 0.00 H new ATOM 767 N THR B 30 3.427 -14.252 -39.374 1.00 0.00 N ATOM 768 CA THR B 30 3.400 -15.575 -40.041 1.00 0.00 C ATOM 769 C THR B 30 2.096 -15.769 -40.818 1.00 0.00 C ATOM 770 O THR B 30 1.006 -15.634 -40.216 1.00 0.00 O ATOM 771 CB THR B 30 3.580 -16.712 -39.023 1.00 0.00 C ATOM 772 OG1 THR B 30 4.734 -16.486 -38.238 1.00 0.00 O ATOM 773 CG2 THR B 30 3.741 -18.081 -39.690 1.00 0.00 C ATOM 774 OXT THR B 30 2.167 -16.026 -42.042 1.00 0.00 O1- ATOM 0 H THR B 30 2.524 -14.009 -38.966 1.00 0.00 H new ATOM 0 HA THR B 30 4.233 -15.605 -40.744 1.00 0.00 H new ATOM 0 HB THR B 30 2.677 -16.718 -38.413 1.00 0.00 H new ATOM 0 HG1 THR B 30 4.838 -17.215 -37.592 1.00 0.00 H new ATOM 0 HG21 THR B 30 3.865 -18.847 -38.924 1.00 0.00 H new ATOM 0 HG22 THR B 30 2.855 -18.302 -40.285 1.00 0.00 H new ATOM 0 HG23 THR B 30 4.618 -18.070 -40.337 1.00 0.00 H new TER 782 THR B 30