USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 5 GLN : amide:sc= -1.17 K(o=-2.4,f=-4.7!) USER MOD Set 1.2: A 15 GLN : amide:sc= -1.2 X(o=-2.4,f=-2.1!) USER MOD Set 2.1: A 8 THR OG1 : rot -94:sc= 0.219 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= -0.0918 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0847 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.71) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 1 PHE N :NH3+ 170:sc= -1.43! (180deg=-1.65!) USER MOD Single : B 3 ASN : amide:sc= -0.741 K(o=-0.74,f=-4.5!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.7!) 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 HIS :FLIP no HD1:sc= -1.47 F(o=-5.2,f=-1.5) USER MOD Single : B 26 TYR OH : rot 180:sc= -0.417 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= 0.0233 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.815 6.431 8.425 1.00 0.00 N ATOM 2 CA GLY A 1 -2.694 6.059 6.987 1.00 0.00 C ATOM 3 C GLY A 1 -1.487 5.143 6.794 1.00 0.00 C ATOM 4 O GLY A 1 -0.603 5.077 7.627 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.686 6.021 8.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.994 6.066 8.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.849 7.467 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.602 5.556 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.584 6.956 6.377 1.00 0.00 H new ATOM 10 N ILE A 2 -1.449 4.428 5.707 1.00 0.00 N ATOM 11 CA ILE A 2 -0.309 3.506 5.457 1.00 0.00 C ATOM 12 C ILE A 2 0.793 4.236 4.686 1.00 0.00 C ATOM 13 O ILE A 2 1.822 3.672 4.376 1.00 0.00 O ATOM 14 CB ILE A 2 -0.819 2.305 4.656 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.037 1.079 4.966 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.777 2.596 3.153 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.873 -0.073 5.390 1.00 0.00 C ATOM 0 H ILE A 2 -2.162 4.442 4.977 1.00 0.00 H new ATOM 0 HA ILE A 2 0.109 3.162 6.403 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.853 2.112 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.619 0.795 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.748 1.308 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.144 1.729 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.406 3.458 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.249 2.808 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.268 -0.952 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.435 0.215 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.566 -0.305 4.582 1.00 0.00 H new ATOM 29 N VAL A 3 0.588 5.482 4.371 1.00 0.00 N ATOM 30 CA VAL A 3 1.629 6.236 3.622 1.00 0.00 C ATOM 31 C VAL A 3 2.807 6.524 4.552 1.00 0.00 C ATOM 32 O VAL A 3 3.876 5.971 4.400 1.00 0.00 O ATOM 33 CB VAL A 3 1.041 7.550 3.111 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.104 8.314 2.319 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.154 7.251 2.203 1.00 0.00 C ATOM 0 H VAL A 3 -0.254 6.011 4.599 1.00 0.00 H new ATOM 0 HA VAL A 3 1.972 5.644 2.773 1.00 0.00 H new ATOM 0 HB VAL A 3 0.716 8.156 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.683 9.251 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.957 8.526 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.431 7.710 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.576 8.187 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.174 6.645 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.912 6.707 2.767 1.00 0.00 H new ATOM 45 N GLU A 4 2.610 7.389 5.516 1.00 0.00 N ATOM 46 CA GLU A 4 3.705 7.737 6.473 1.00 0.00 C ATOM 47 C GLU A 4 4.581 6.513 6.764 1.00 0.00 C ATOM 48 O GLU A 4 5.759 6.635 7.037 1.00 0.00 O ATOM 49 CB GLU A 4 3.086 8.232 7.781 1.00 0.00 C ATOM 50 CG GLU A 4 2.414 7.060 8.501 1.00 0.00 C ATOM 51 CD GLU A 4 1.197 7.566 9.277 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.400 8.281 8.691 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.082 7.229 10.444 1.00 0.00 O ATOM 0 H GLU A 4 1.728 7.874 5.682 1.00 0.00 H new ATOM 0 HA GLU A 4 4.326 8.514 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.855 8.671 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.356 9.015 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.109 6.303 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.120 6.585 9.182 1.00 0.00 H new ATOM 60 N GLN A 5 4.019 5.336 6.717 1.00 0.00 N ATOM 61 CA GLN A 5 4.828 4.117 6.998 1.00 0.00 C ATOM 62 C GLN A 5 5.447 3.584 5.701 1.00 0.00 C ATOM 63 O GLN A 5 6.645 3.635 5.506 1.00 0.00 O ATOM 64 CB GLN A 5 3.930 3.039 7.607 1.00 0.00 C ATOM 65 CG GLN A 5 3.975 3.133 9.133 1.00 0.00 C ATOM 66 CD GLN A 5 2.663 2.602 9.713 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.656 1.621 10.429 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.545 3.212 9.431 1.00 0.00 N ATOM 0 H GLN A 5 3.038 5.166 6.497 1.00 0.00 H new ATOM 0 HA GLN A 5 5.625 4.374 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.906 3.164 7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.260 2.052 7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.816 2.557 9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.129 4.167 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.551 4.036 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.665 2.865 9.812 1.00 0.00 H new ATOM 77 N CYS A 6 4.639 3.056 4.822 1.00 0.00 N ATOM 78 CA CYS A 6 5.179 2.499 3.549 1.00 0.00 C ATOM 79 C CYS A 6 5.378 3.605 2.506 1.00 0.00 C ATOM 80 O CYS A 6 5.068 3.432 1.347 1.00 0.00 O ATOM 81 CB CYS A 6 4.212 1.447 3.000 1.00 0.00 C ATOM 82 SG CYS A 6 5.073 -0.140 2.853 1.00 0.00 S ATOM 0 H CYS A 6 3.627 2.986 4.931 1.00 0.00 H new ATOM 0 HA CYS A 6 6.147 2.042 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.352 1.347 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.832 1.759 2.027 1.00 0.00 H new ATOM 87 N CYS A 7 5.904 4.730 2.901 1.00 0.00 N ATOM 88 CA CYS A 7 6.139 5.832 1.926 1.00 0.00 C ATOM 89 C CYS A 7 7.457 6.523 2.278 1.00 0.00 C ATOM 90 O CYS A 7 8.422 6.448 1.547 1.00 0.00 O ATOM 91 CB CYS A 7 4.992 6.832 2.003 1.00 0.00 C ATOM 92 SG CYS A 7 5.405 8.310 1.043 1.00 0.00 S ATOM 0 H CYS A 7 6.183 4.935 3.861 1.00 0.00 H new ATOM 0 HA CYS A 7 6.192 5.433 0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.077 6.381 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.802 7.103 3.042 1.00 0.00 H new ATOM 97 N THR A 8 7.510 7.177 3.406 1.00 0.00 N ATOM 98 CA THR A 8 8.774 7.849 3.811 1.00 0.00 C ATOM 99 C THR A 8 9.857 6.783 3.969 1.00 0.00 C ATOM 100 O THR A 8 11.039 7.068 3.948 1.00 0.00 O ATOM 101 CB THR A 8 8.568 8.574 5.143 1.00 0.00 C ATOM 102 OG1 THR A 8 8.600 7.626 6.201 1.00 0.00 O ATOM 103 CG2 THR A 8 7.217 9.290 5.138 1.00 0.00 C ATOM 0 H THR A 8 6.735 7.274 4.062 1.00 0.00 H new ATOM 0 HA THR A 8 9.071 8.577 3.056 1.00 0.00 H new ATOM 0 HB THR A 8 9.361 9.308 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.687 7.340 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.075 9.805 6.088 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.193 10.016 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.419 8.561 4.997 1.00 0.00 H new ATOM 111 N SER A 9 9.453 5.551 4.123 1.00 0.00 N ATOM 112 CA SER A 9 10.439 4.445 4.277 1.00 0.00 C ATOM 113 C SER A 9 9.819 3.152 3.740 1.00 0.00 C ATOM 114 O SER A 9 8.875 3.180 2.973 1.00 0.00 O ATOM 115 CB SER A 9 10.786 4.269 5.757 1.00 0.00 C ATOM 116 OG SER A 9 10.291 5.381 6.490 1.00 0.00 O ATOM 0 H SER A 9 8.475 5.262 4.149 1.00 0.00 H new ATOM 0 HA SER A 9 11.347 4.680 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.350 3.345 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.866 4.188 5.882 1.00 0.00 H new ATOM 0 HG SER A 9 10.510 5.271 7.439 1.00 0.00 H new ATOM 122 N ILE A 10 10.331 2.022 4.135 1.00 0.00 N ATOM 123 CA ILE A 10 9.760 0.736 3.643 1.00 0.00 C ATOM 124 C ILE A 10 9.047 0.027 4.796 1.00 0.00 C ATOM 125 O ILE A 10 9.583 -0.108 5.880 1.00 0.00 O ATOM 126 CB ILE A 10 10.887 -0.150 3.106 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.586 0.570 1.949 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.306 -1.473 2.605 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.645 -0.351 1.338 1.00 0.00 C ATOM 0 H ILE A 10 11.119 1.931 4.776 1.00 0.00 H new ATOM 0 HA ILE A 10 9.047 0.932 2.843 1.00 0.00 H new ATOM 0 HB ILE A 10 11.604 -0.350 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.857 0.856 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.051 1.489 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.110 -2.102 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.804 -1.984 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.589 -1.277 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.142 0.162 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.380 -0.614 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.168 -1.257 0.965 1.00 0.00 H new ATOM 141 N CYS A 11 7.840 -0.420 4.578 1.00 0.00 N ATOM 142 CA CYS A 11 7.094 -1.109 5.670 1.00 0.00 C ATOM 143 C CYS A 11 6.985 -2.606 5.359 1.00 0.00 C ATOM 144 O CYS A 11 7.770 -3.154 4.610 1.00 0.00 O ATOM 145 CB CYS A 11 5.693 -0.490 5.807 1.00 0.00 C ATOM 146 SG CYS A 11 4.577 -1.144 4.535 1.00 0.00 S ATOM 0 H CYS A 11 7.339 -0.338 3.693 1.00 0.00 H new ATOM 0 HA CYS A 11 7.630 -0.984 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.290 -0.705 6.797 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.759 0.594 5.718 1.00 0.00 H new ATOM 151 N SER A 12 6.020 -3.273 5.931 1.00 0.00 N ATOM 152 CA SER A 12 5.864 -4.731 5.673 1.00 0.00 C ATOM 153 C SER A 12 4.562 -4.988 4.912 1.00 0.00 C ATOM 154 O SER A 12 3.665 -4.170 4.898 1.00 0.00 O ATOM 155 CB SER A 12 5.827 -5.477 7.007 1.00 0.00 C ATOM 156 OG SER A 12 5.209 -4.656 7.987 1.00 0.00 O ATOM 0 H SER A 12 5.332 -2.870 6.567 1.00 0.00 H new ATOM 0 HA SER A 12 6.704 -5.084 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.276 -6.411 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.838 -5.737 7.319 1.00 0.00 H new ATOM 0 HG SER A 12 5.182 -5.132 8.843 1.00 0.00 H new ATOM 162 N LEU A 13 4.453 -6.130 4.286 1.00 0.00 N ATOM 163 CA LEU A 13 3.210 -6.456 3.531 1.00 0.00 C ATOM 164 C LEU A 13 2.070 -6.716 4.520 1.00 0.00 C ATOM 165 O LEU A 13 0.934 -6.918 4.137 1.00 0.00 O ATOM 166 CB LEU A 13 3.449 -7.712 2.687 1.00 0.00 C ATOM 167 CG LEU A 13 3.245 -7.386 1.206 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.920 -6.644 1.023 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.394 -6.505 0.711 1.00 0.00 C ATOM 0 H LEU A 13 5.173 -6.852 4.266 1.00 0.00 H new ATOM 0 HA LEU A 13 2.944 -5.623 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.460 -8.085 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.764 -8.503 2.993 1.00 0.00 H new ATOM 0 HG LEU A 13 3.225 -8.313 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.776 -6.412 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.100 -7.272 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.939 -5.719 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.247 -6.274 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.416 -5.579 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.339 -7.034 0.838 1.00 0.00 H new ATOM 181 N TYR A 14 2.365 -6.719 5.793 1.00 0.00 N ATOM 182 CA TYR A 14 1.307 -6.968 6.809 1.00 0.00 C ATOM 183 C TYR A 14 0.434 -5.725 6.974 1.00 0.00 C ATOM 184 O TYR A 14 -0.763 -5.818 7.155 1.00 0.00 O ATOM 185 CB TYR A 14 1.970 -7.303 8.144 1.00 0.00 C ATOM 186 CG TYR A 14 0.957 -7.952 9.051 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.165 -7.231 9.465 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.138 -9.273 9.470 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.110 -7.828 10.306 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.193 -9.873 10.311 1.00 0.00 C ATOM 191 CZ TYR A 14 -0.932 -9.152 10.729 1.00 0.00 C ATOM 192 OH TYR A 14 -1.862 -9.742 11.558 1.00 0.00 O ATOM 0 H TYR A 14 3.298 -6.559 6.172 1.00 0.00 H new ATOM 0 HA TYR A 14 0.681 -7.799 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.816 -7.972 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.362 -6.397 8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.303 -6.212 9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.005 -9.830 9.146 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.976 -7.269 10.629 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.332 -10.893 10.638 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.588 -10.662 11.755 1.00 0.00 H new ATOM 202 N GLN A 15 1.021 -4.565 6.927 1.00 0.00 N ATOM 203 CA GLN A 15 0.219 -3.320 7.094 1.00 0.00 C ATOM 204 C GLN A 15 -0.798 -3.187 5.957 1.00 0.00 C ATOM 205 O GLN A 15 -1.874 -2.655 6.138 1.00 0.00 O ATOM 206 CB GLN A 15 1.155 -2.111 7.082 1.00 0.00 C ATOM 207 CG GLN A 15 2.269 -2.320 8.108 1.00 0.00 C ATOM 208 CD GLN A 15 2.029 -1.407 9.311 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.670 -0.257 9.154 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.213 -1.872 10.516 1.00 0.00 N ATOM 0 H GLN A 15 2.020 -4.423 6.780 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.316 -3.366 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.582 -1.978 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.598 -1.204 7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.294 -3.362 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.238 -2.101 7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.514 -2.837 10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.055 -1.270 11.324 1.00 0.00 H new ATOM 219 N LEU A 16 -0.468 -3.654 4.783 1.00 0.00 N ATOM 220 CA LEU A 16 -1.425 -3.531 3.647 1.00 0.00 C ATOM 221 C LEU A 16 -2.507 -4.608 3.752 1.00 0.00 C ATOM 222 O LEU A 16 -3.457 -4.620 2.997 1.00 0.00 O ATOM 223 CB LEU A 16 -0.676 -3.688 2.320 1.00 0.00 C ATOM 224 CG LEU A 16 0.464 -2.659 2.205 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.537 -2.166 0.763 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.217 -1.452 3.120 1.00 0.00 C ATOM 0 H LEU A 16 0.416 -4.112 4.563 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.894 -2.548 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.269 -4.697 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.370 -3.561 1.489 1.00 0.00 H new ATOM 0 HG LEU A 16 1.395 -3.141 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.341 -1.436 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.732 -3.009 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.410 -1.700 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.039 -0.743 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.718 -0.967 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.155 -1.787 4.155 1.00 0.00 H new ATOM 238 N GLU A 17 -2.374 -5.510 4.684 1.00 0.00 N ATOM 239 CA GLU A 17 -3.402 -6.576 4.835 1.00 0.00 C ATOM 240 C GLU A 17 -4.728 -5.934 5.246 1.00 0.00 C ATOM 241 O GLU A 17 -5.792 -6.386 4.873 1.00 0.00 O ATOM 242 CB GLU A 17 -2.964 -7.564 5.916 1.00 0.00 C ATOM 243 CG GLU A 17 -1.573 -8.108 5.583 1.00 0.00 C ATOM 244 CD GLU A 17 -1.185 -9.174 6.609 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.243 -8.879 7.792 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.835 -10.267 6.196 1.00 0.00 O ATOM 0 H GLU A 17 -1.599 -5.555 5.346 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.521 -7.105 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.949 -7.072 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.679 -8.384 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.568 -8.534 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.843 -7.299 5.589 1.00 0.00 H new ATOM 253 N ASN A 18 -4.668 -4.884 6.020 1.00 0.00 N ATOM 254 CA ASN A 18 -5.923 -4.210 6.468 1.00 0.00 C ATOM 255 C ASN A 18 -6.510 -3.380 5.324 1.00 0.00 C ATOM 256 O ASN A 18 -7.596 -2.845 5.429 1.00 0.00 O ATOM 257 CB ASN A 18 -5.605 -3.292 7.649 1.00 0.00 C ATOM 258 CG ASN A 18 -4.673 -4.015 8.622 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.771 -5.214 8.796 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.769 -3.335 9.271 1.00 0.00 N ATOM 0 H ASN A 18 -3.804 -4.463 6.362 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.649 -4.965 6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.136 -2.374 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.525 -3.004 8.157 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.145 -3.809 9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.686 -2.329 9.126 1.00 0.00 H new ATOM 267 N TYR A 19 -5.806 -3.265 4.232 1.00 0.00 N ATOM 268 CA TYR A 19 -6.328 -2.467 3.087 1.00 0.00 C ATOM 269 C TYR A 19 -7.204 -3.351 2.198 1.00 0.00 C ATOM 270 O TYR A 19 -7.446 -3.044 1.048 1.00 0.00 O ATOM 271 CB TYR A 19 -5.155 -1.925 2.270 1.00 0.00 C ATOM 272 CG TYR A 19 -4.760 -0.573 2.804 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.994 -0.493 3.962 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.162 0.594 2.144 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.625 0.754 4.474 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.795 1.847 2.654 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.026 1.925 3.821 1.00 0.00 C ATOM 278 OH TYR A 19 -3.660 3.157 4.326 1.00 0.00 O ATOM 0 H TYR A 19 -4.891 -3.690 4.083 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.924 -1.637 3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.310 -2.612 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.434 -1.847 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.684 -1.396 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.754 0.529 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.030 0.814 5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.105 2.750 2.148 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.019 3.866 3.752 1.00 0.00 H new ATOM 288 N CYS A 20 -7.686 -4.448 2.716 1.00 0.00 N ATOM 289 CA CYS A 20 -8.545 -5.347 1.893 1.00 0.00 C ATOM 290 C CYS A 20 -9.981 -5.313 2.420 1.00 0.00 C ATOM 291 O CYS A 20 -10.216 -5.252 3.610 1.00 0.00 O ATOM 292 CB CYS A 20 -8.010 -6.778 1.968 1.00 0.00 C ATOM 293 SG CYS A 20 -6.330 -6.829 1.295 1.00 0.00 S ATOM 0 H CYS A 20 -7.522 -4.761 3.673 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.531 -5.007 0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.010 -7.124 3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.659 -7.450 1.407 1.00 0.00 H new ATOM 298 N ASN A 21 -10.944 -5.353 1.539 1.00 0.00 N ATOM 299 CA ASN A 21 -12.365 -5.327 1.980 1.00 0.00 C ATOM 300 C ASN A 21 -12.645 -6.537 2.876 1.00 0.00 C ATOM 301 O ASN A 21 -12.720 -6.354 4.079 1.00 0.00 O ATOM 302 CB ASN A 21 -13.277 -5.378 0.754 1.00 0.00 C ATOM 303 CG ASN A 21 -14.666 -4.857 1.123 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.419 -5.526 1.803 1.00 0.00 O ATOM 305 ND2 ASN A 21 -15.041 -3.681 0.699 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.778 -7.626 2.341 1.00 0.00 O ATOM 0 H ASN A 21 -10.805 -5.403 0.530 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.556 -4.411 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.854 -4.777 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.348 -6.401 0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.966 -3.324 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.409 -3.119 0.128 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.490 -7.914 -6.768 1.00 0.00 N ATOM 315 CA PHE B 1 5.694 -7.444 -5.367 1.00 0.00 C ATOM 316 C PHE B 1 7.164 -7.060 -5.167 1.00 0.00 C ATOM 317 O PHE B 1 8.061 -7.779 -5.558 1.00 0.00 O ATOM 318 CB PHE B 1 5.312 -8.565 -4.393 1.00 0.00 C ATOM 319 CG PHE B 1 6.400 -9.614 -4.359 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.860 -10.187 -5.551 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.948 -10.012 -3.133 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.868 -11.157 -5.516 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.957 -10.982 -3.099 1.00 0.00 C ATOM 324 CZ PHE B 1 8.416 -11.555 -4.290 1.00 0.00 C ATOM 0 H1 PHE B 1 4.542 -8.332 -6.859 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.578 -7.109 -7.421 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.208 -8.629 -7.002 1.00 0.00 H new ATOM 0 HA PHE B 1 5.066 -6.573 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.160 -8.154 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.369 -9.018 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.437 -9.881 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.592 -9.571 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.224 -11.599 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.381 -11.288 -2.154 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.193 -12.304 -4.264 1.00 0.00 H new ATOM 336 N VAL B 2 7.415 -5.932 -4.561 1.00 0.00 N ATOM 337 CA VAL B 2 8.826 -5.505 -4.339 1.00 0.00 C ATOM 338 C VAL B 2 8.883 -4.516 -3.171 1.00 0.00 C ATOM 339 O VAL B 2 8.221 -3.497 -3.175 1.00 0.00 O ATOM 340 CB VAL B 2 9.359 -4.835 -5.606 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.815 -4.420 -5.393 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.278 -5.821 -6.775 1.00 0.00 C ATOM 0 H VAL B 2 6.706 -5.288 -4.210 1.00 0.00 H new ATOM 0 HA VAL B 2 9.438 -6.376 -4.104 1.00 0.00 H new ATOM 0 HB VAL B 2 8.759 -3.953 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.193 -3.943 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.876 -3.719 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.416 -5.302 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.658 -5.345 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.878 -6.703 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.241 -6.118 -6.929 1.00 0.00 H new ATOM 352 N ASN B 3 9.668 -4.811 -2.169 1.00 0.00 N ATOM 353 CA ASN B 3 9.766 -3.888 -1.001 1.00 0.00 C ATOM 354 C ASN B 3 10.363 -2.552 -1.449 1.00 0.00 C ATOM 355 O ASN B 3 11.566 -2.376 -1.475 1.00 0.00 O ATOM 356 CB ASN B 3 10.660 -4.511 0.072 1.00 0.00 C ATOM 357 CG ASN B 3 12.045 -4.797 -0.514 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.178 -5.574 -1.437 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.088 -4.197 -0.009 1.00 0.00 N ATOM 0 H ASN B 3 10.245 -5.650 -2.109 1.00 0.00 H new ATOM 0 HA ASN B 3 8.770 -3.720 -0.591 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.747 -3.836 0.924 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.213 -5.434 0.441 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.016 -4.381 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.975 -3.544 0.767 1.00 0.00 H new ATOM 366 N GLN B 4 9.532 -1.608 -1.798 1.00 0.00 N ATOM 367 CA GLN B 4 10.050 -0.282 -2.241 1.00 0.00 C ATOM 368 C GLN B 4 9.217 0.825 -1.592 1.00 0.00 C ATOM 369 O GLN B 4 8.149 0.581 -1.065 1.00 0.00 O ATOM 370 CB GLN B 4 9.945 -0.179 -3.763 1.00 0.00 C ATOM 371 CG GLN B 4 10.660 1.088 -4.241 1.00 0.00 C ATOM 372 CD GLN B 4 11.058 0.928 -5.708 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.280 1.218 -6.595 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.246 0.475 -6.006 1.00 0.00 N ATOM 0 H GLN B 4 8.516 -1.698 -1.796 1.00 0.00 H new ATOM 0 HA GLN B 4 11.093 -0.175 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.390 -1.058 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.898 -0.154 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.007 1.953 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.545 1.271 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.900 0.231 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.520 0.365 -6.982 1.00 0.00 H new ATOM 383 N HIS B 5 9.694 2.042 -1.620 1.00 0.00 N ATOM 384 CA HIS B 5 8.923 3.153 -0.997 1.00 0.00 C ATOM 385 C HIS B 5 7.607 3.353 -1.752 1.00 0.00 C ATOM 386 O HIS B 5 7.582 3.474 -2.960 1.00 0.00 O ATOM 387 CB HIS B 5 9.739 4.445 -1.054 1.00 0.00 C ATOM 388 CG HIS B 5 11.037 4.250 -0.319 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.091 3.683 0.944 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.335 4.541 -0.656 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.384 3.650 1.317 1.00 0.00 C ATOM 392 NE2 HIS B 5 13.185 4.160 0.379 1.00 0.00 N ATOM 0 H HIS B 5 10.581 2.312 -2.046 1.00 0.00 H new ATOM 0 HA HIS B 5 8.713 2.902 0.043 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.933 4.720 -2.091 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.175 5.264 -0.608 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.650 4.996 -1.583 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.731 3.258 2.262 1.00 0.00 H new ATOM 0 HE2 HIS B 5 14.200 4.251 0.413 1.00 0.00 H new ATOM 400 N LEU B 6 6.516 3.384 -1.041 1.00 0.00 N ATOM 401 CA LEU B 6 5.195 3.575 -1.703 1.00 0.00 C ATOM 402 C LEU B 6 4.649 4.961 -1.355 1.00 0.00 C ATOM 403 O LEU B 6 4.401 5.271 -0.207 1.00 0.00 O ATOM 404 CB LEU B 6 4.223 2.500 -1.218 1.00 0.00 C ATOM 405 CG LEU B 6 4.932 1.146 -1.203 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.089 0.133 -0.424 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.115 0.654 -2.639 1.00 0.00 C ATOM 0 H LEU B 6 6.481 3.285 -0.026 1.00 0.00 H new ATOM 0 HA LEU B 6 5.311 3.494 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.861 2.745 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.352 2.460 -1.872 1.00 0.00 H new ATOM 0 HG LEU B 6 5.905 1.252 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.596 -0.832 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.954 0.482 0.600 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.115 0.026 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.621 -0.312 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.140 0.549 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.715 1.373 -3.196 1.00 0.00 H new ATOM 419 N CYS B 7 4.460 5.796 -2.340 1.00 0.00 N ATOM 420 CA CYS B 7 3.932 7.162 -2.069 1.00 0.00 C ATOM 421 C CYS B 7 3.014 7.587 -3.214 1.00 0.00 C ATOM 422 O CYS B 7 3.458 8.086 -4.229 1.00 0.00 O ATOM 423 CB CYS B 7 5.100 8.145 -1.956 1.00 0.00 C ATOM 424 SG CYS B 7 6.227 7.591 -0.653 1.00 0.00 S ATOM 0 H CYS B 7 4.649 5.591 -3.321 1.00 0.00 H new ATOM 0 HA CYS B 7 3.369 7.159 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.629 8.209 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.728 9.144 -1.730 1.00 0.00 H new ATOM 429 N GLY B 8 1.734 7.390 -3.060 1.00 0.00 N ATOM 430 CA GLY B 8 0.783 7.776 -4.139 1.00 0.00 C ATOM 431 C GLY B 8 0.226 6.515 -4.798 1.00 0.00 C ATOM 432 O GLY B 8 -0.171 5.578 -4.131 1.00 0.00 O ATOM 0 H GLY B 8 1.305 6.977 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.030 8.373 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.288 8.395 -4.881 1.00 0.00 H new ATOM 436 N SER B 9 0.195 6.478 -6.102 1.00 0.00 N ATOM 437 CA SER B 9 -0.332 5.271 -6.799 1.00 0.00 C ATOM 438 C SER B 9 0.563 4.071 -6.487 1.00 0.00 C ATOM 439 O SER B 9 0.155 2.934 -6.604 1.00 0.00 O ATOM 440 CB SER B 9 -0.344 5.518 -8.309 1.00 0.00 C ATOM 441 OG SER B 9 0.951 5.932 -8.726 1.00 0.00 O ATOM 0 H SER B 9 0.511 7.230 -6.714 1.00 0.00 H new ATOM 0 HA SER B 9 -1.346 5.068 -6.456 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.635 4.609 -8.836 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.081 6.281 -8.559 1.00 0.00 H new ATOM 0 HG SER B 9 0.948 6.090 -9.693 1.00 0.00 H new ATOM 447 N HIS B 10 1.782 4.317 -6.089 1.00 0.00 N ATOM 448 CA HIS B 10 2.701 3.188 -5.769 1.00 0.00 C ATOM 449 C HIS B 10 2.083 2.323 -4.670 1.00 0.00 C ATOM 450 O HIS B 10 1.901 1.132 -4.836 1.00 0.00 O ATOM 451 CB HIS B 10 4.043 3.742 -5.287 1.00 0.00 C ATOM 452 CG HIS B 10 5.008 3.784 -6.437 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.988 4.797 -7.386 1.00 0.00 N ATOM 454 CD2 HIS B 10 6.029 2.945 -6.808 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.967 4.542 -8.270 1.00 0.00 C ATOM 456 NE2 HIS B 10 6.633 3.425 -7.966 1.00 0.00 N ATOM 0 H HIS B 10 2.180 5.249 -5.972 1.00 0.00 H new ATOM 0 HA HIS B 10 2.858 2.584 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.909 4.742 -4.874 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.441 3.117 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.320 2.048 -6.281 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.189 5.165 -9.124 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.416 3.013 -8.473 1.00 0.00 H new ATOM 464 N LEU B 11 1.758 2.907 -3.549 1.00 0.00 N ATOM 465 CA LEU B 11 1.152 2.106 -2.449 1.00 0.00 C ATOM 466 C LEU B 11 -0.107 1.420 -2.967 1.00 0.00 C ATOM 467 O LEU B 11 -0.447 0.330 -2.552 1.00 0.00 O ATOM 468 CB LEU B 11 0.795 3.021 -1.277 1.00 0.00 C ATOM 469 CG LEU B 11 1.135 2.314 0.034 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.681 3.330 1.042 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.129 1.652 0.594 1.00 0.00 C ATOM 0 H LEU B 11 1.885 3.899 -3.348 1.00 0.00 H new ATOM 0 HA LEU B 11 1.865 1.356 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.345 3.959 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.266 3.271 -1.305 1.00 0.00 H new ATOM 0 HG LEU B 11 1.893 1.552 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.922 2.822 1.976 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.581 3.795 0.639 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.929 4.096 1.230 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.109 1.146 1.530 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.888 2.413 0.776 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.508 0.926 -0.125 1.00 0.00 H new ATOM 483 N VAL B 12 -0.800 2.038 -3.882 1.00 0.00 N ATOM 484 CA VAL B 12 -2.027 1.406 -4.430 1.00 0.00 C ATOM 485 C VAL B 12 -1.635 0.106 -5.135 1.00 0.00 C ATOM 486 O VAL B 12 -2.338 -0.883 -5.077 1.00 0.00 O ATOM 487 CB VAL B 12 -2.692 2.352 -5.427 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.841 1.627 -6.130 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.240 3.562 -4.673 1.00 0.00 C ATOM 0 H VAL B 12 -0.569 2.952 -4.272 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.728 1.194 -3.623 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.963 2.678 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.316 2.302 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.453 0.757 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.574 1.305 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.717 4.244 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.972 3.231 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.423 4.076 -4.167 1.00 0.00 H new ATOM 499 N GLU B 13 -0.503 0.101 -5.789 1.00 0.00 N ATOM 500 CA GLU B 13 -0.048 -1.131 -6.489 1.00 0.00 C ATOM 501 C GLU B 13 0.296 -2.200 -5.450 1.00 0.00 C ATOM 502 O GLU B 13 0.335 -3.377 -5.742 1.00 0.00 O ATOM 503 CB GLU B 13 1.189 -0.816 -7.332 1.00 0.00 C ATOM 504 CG GLU B 13 0.753 -0.350 -8.721 1.00 0.00 C ATOM 505 CD GLU B 13 1.972 -0.285 -9.643 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.535 -1.328 -9.924 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.321 0.811 -10.053 1.00 0.00 O ATOM 0 H GLU B 13 0.126 0.900 -5.867 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.841 -1.496 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.785 -0.043 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.821 -1.700 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.011 -1.035 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.280 0.630 -8.656 1.00 0.00 H new ATOM 514 N ALA B 14 0.538 -1.793 -4.233 1.00 0.00 N ATOM 515 CA ALA B 14 0.867 -2.783 -3.171 1.00 0.00 C ATOM 516 C ALA B 14 -0.402 -3.096 -2.379 1.00 0.00 C ATOM 517 O ALA B 14 -0.448 -4.029 -1.601 1.00 0.00 O ATOM 518 CB ALA B 14 1.929 -2.197 -2.238 1.00 0.00 C ATOM 0 H ALA B 14 0.522 -0.819 -3.930 1.00 0.00 H new ATOM 0 HA ALA B 14 1.255 -3.697 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.170 -2.922 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.828 -1.966 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.547 -1.285 -1.779 1.00 0.00 H new ATOM 524 N LEU B 15 -1.439 -2.324 -2.573 1.00 0.00 N ATOM 525 CA LEU B 15 -2.707 -2.576 -1.839 1.00 0.00 C ATOM 526 C LEU B 15 -3.550 -3.598 -2.605 1.00 0.00 C ATOM 527 O LEU B 15 -4.078 -4.533 -2.034 1.00 0.00 O ATOM 528 CB LEU B 15 -3.487 -1.265 -1.703 1.00 0.00 C ATOM 529 CG LEU B 15 -2.829 -0.400 -0.628 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.688 0.836 -0.363 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.699 -1.212 0.661 1.00 0.00 C ATOM 0 H LEU B 15 -1.459 -1.528 -3.211 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.480 -2.968 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.501 -0.735 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.524 -1.470 -1.438 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.842 -0.087 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.216 1.450 0.404 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.786 1.415 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.676 0.526 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.230 -0.599 1.431 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.688 -1.523 0.997 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.086 -2.094 0.475 1.00 0.00 H new ATOM 543 N HIS B 16 -3.678 -3.436 -3.895 1.00 0.00 N ATOM 544 CA HIS B 16 -4.483 -4.407 -4.689 1.00 0.00 C ATOM 545 C HIS B 16 -3.780 -5.767 -4.682 1.00 0.00 C ATOM 546 O HIS B 16 -4.408 -6.807 -4.627 1.00 0.00 O ATOM 547 CB HIS B 16 -4.636 -3.895 -6.133 1.00 0.00 C ATOM 548 CG HIS B 16 -3.421 -4.251 -6.951 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.109 -3.865 -6.856 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.483 -5.118 -8.031 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.363 -4.477 -7.859 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.240 -5.222 -8.538 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.261 -2.675 -4.431 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.474 -4.512 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.527 -4.329 -6.587 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -4.775 -2.814 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.367 -5.618 -8.398 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.305 -4.372 -8.048 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -1.997 -5.800 -9.343 1.00 0.00 H new ATOM 560 N LEU B 17 -2.476 -5.764 -4.739 1.00 0.00 N ATOM 561 CA LEU B 17 -1.722 -7.047 -4.735 1.00 0.00 C ATOM 562 C LEU B 17 -2.077 -7.841 -3.478 1.00 0.00 C ATOM 563 O LEU B 17 -2.233 -9.046 -3.515 1.00 0.00 O ATOM 564 CB LEU B 17 -0.222 -6.747 -4.743 1.00 0.00 C ATOM 565 CG LEU B 17 0.563 -8.049 -4.895 1.00 0.00 C ATOM 566 CD1 LEU B 17 0.225 -8.696 -6.239 1.00 0.00 C ATOM 567 CD2 LEU B 17 2.060 -7.744 -4.837 1.00 0.00 C ATOM 0 H LEU B 17 -1.899 -4.924 -4.788 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.984 -7.631 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.019 -6.068 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.063 -6.245 -3.818 1.00 0.00 H new ATOM 0 HG LEU B 17 0.297 -8.733 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.785 -9.625 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.843 -8.909 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.492 -8.015 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.624 -8.670 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.324 -7.062 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.300 -7.282 -3.879 1.00 0.00 H new ATOM 579 N VAL B 18 -2.206 -7.173 -2.365 1.00 0.00 N ATOM 580 CA VAL B 18 -2.550 -7.887 -1.106 1.00 0.00 C ATOM 581 C VAL B 18 -4.016 -8.321 -1.147 1.00 0.00 C ATOM 582 O VAL B 18 -4.381 -9.358 -0.632 1.00 0.00 O ATOM 583 CB VAL B 18 -2.331 -6.951 0.083 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.629 -7.701 1.382 1.00 0.00 C ATOM 585 CG2 VAL B 18 -0.878 -6.471 0.096 1.00 0.00 C ATOM 0 H VAL B 18 -2.088 -6.164 -2.274 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.915 -8.766 -1.002 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.997 -6.092 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.473 -7.035 2.231 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.664 -8.044 1.375 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.963 -8.559 1.468 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.723 -5.804 0.944 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.212 -7.329 0.183 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.663 -5.937 -0.830 1.00 0.00 H new ATOM 595 N CYS B 19 -4.862 -7.532 -1.749 1.00 0.00 N ATOM 596 CA CYS B 19 -6.304 -7.898 -1.816 1.00 0.00 C ATOM 597 C CYS B 19 -6.615 -8.513 -3.183 1.00 0.00 C ATOM 598 O CYS B 19 -6.844 -9.700 -3.301 1.00 0.00 O ATOM 599 CB CYS B 19 -7.150 -6.641 -1.614 1.00 0.00 C ATOM 600 SG CYS B 19 -6.408 -5.617 -0.319 1.00 0.00 S ATOM 0 H CYS B 19 -4.617 -6.649 -2.198 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.535 -8.624 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.213 -6.079 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.168 -6.915 -1.337 1.00 0.00 H new ATOM 605 N GLY B 20 -6.628 -7.715 -4.215 1.00 0.00 N ATOM 606 CA GLY B 20 -6.926 -8.257 -5.572 1.00 0.00 C ATOM 607 C GLY B 20 -8.405 -8.038 -5.895 1.00 0.00 C ATOM 608 O GLY B 20 -8.897 -6.927 -5.885 1.00 0.00 O ATOM 0 H GLY B 20 -6.445 -6.712 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.303 -7.763 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -6.688 -9.320 -5.611 1.00 0.00 H new ATOM 612 N GLU B 21 -9.120 -9.091 -6.181 1.00 0.00 N ATOM 613 CA GLU B 21 -10.567 -8.943 -6.507 1.00 0.00 C ATOM 614 C GLU B 21 -11.298 -8.336 -5.307 1.00 0.00 C ATOM 615 O GLU B 21 -12.188 -7.521 -5.457 1.00 0.00 O ATOM 616 CB GLU B 21 -11.161 -10.316 -6.826 1.00 0.00 C ATOM 617 CG GLU B 21 -10.382 -10.953 -7.978 1.00 0.00 C ATOM 618 CD GLU B 21 -10.645 -10.167 -9.266 1.00 0.00 C ATOM 619 OE1 GLU B 21 -11.614 -10.481 -9.939 1.00 0.00 O ATOM 620 OE2 GLU B 21 -9.874 -9.269 -9.556 1.00 0.00 O ATOM 0 H GLU B 21 -8.765 -10.047 -6.203 1.00 0.00 H new ATOM 0 HA GLU B 21 -10.681 -8.289 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -11.117 -10.957 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.212 -10.216 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -9.316 -10.956 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.684 -11.992 -8.105 1.00 0.00 H new ATOM 627 N ARG B 22 -10.929 -8.726 -4.117 1.00 0.00 N ATOM 628 CA ARG B 22 -11.604 -8.170 -2.909 1.00 0.00 C ATOM 629 C ARG B 22 -11.576 -6.643 -2.968 1.00 0.00 C ATOM 630 O ARG B 22 -12.423 -5.974 -2.409 1.00 0.00 O ATOM 631 CB ARG B 22 -10.869 -8.637 -1.653 1.00 0.00 C ATOM 632 CG ARG B 22 -11.204 -10.104 -1.377 1.00 0.00 C ATOM 633 CD ARG B 22 -11.646 -10.262 0.079 1.00 0.00 C ATOM 634 NE ARG B 22 -10.455 -10.187 0.972 1.00 0.00 N ATOM 635 CZ ARG B 22 -10.605 -10.008 2.257 1.00 0.00 C ATOM 636 NH1 ARG B 22 -11.800 -9.893 2.769 1.00 0.00 N ATOM 637 NH2 ARG B 22 -9.556 -9.944 3.032 1.00 0.00 N ATOM 0 H ARG B 22 -10.191 -9.404 -3.929 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.637 -8.518 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.793 -8.518 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.157 -8.021 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.996 -10.439 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.334 -10.730 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -12.359 -9.480 0.340 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.155 -11.216 0.214 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.518 -10.276 0.578 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.621 -9.943 2.165 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.913 -9.753 3.773 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -8.621 -10.034 2.634 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -9.671 -9.804 4.036 1.00 0.00 H new ATOM 651 N GLY B 23 -10.605 -6.085 -3.637 1.00 0.00 N ATOM 652 CA GLY B 23 -10.519 -4.602 -3.723 1.00 0.00 C ATOM 653 C GLY B 23 -9.835 -4.065 -2.466 1.00 0.00 C ATOM 654 O GLY B 23 -9.564 -4.796 -1.535 1.00 0.00 O ATOM 0 H GLY B 23 -9.868 -6.592 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.958 -4.309 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.516 -4.173 -3.821 1.00 0.00 H new ATOM 658 N PHE B 24 -9.548 -2.794 -2.430 1.00 0.00 N ATOM 659 CA PHE B 24 -8.879 -2.216 -1.231 1.00 0.00 C ATOM 660 C PHE B 24 -9.295 -0.755 -1.067 1.00 0.00 C ATOM 661 O PHE B 24 -9.336 -0.001 -2.019 1.00 0.00 O ATOM 662 CB PHE B 24 -7.362 -2.297 -1.410 1.00 0.00 C ATOM 663 CG PHE B 24 -6.977 -1.665 -2.724 1.00 0.00 C ATOM 664 CD1 PHE B 24 -6.977 -2.436 -3.893 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.622 -0.313 -2.778 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.622 -1.855 -5.115 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.266 0.270 -4.000 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.265 -0.501 -5.168 1.00 0.00 C ATOM 0 H PHE B 24 -9.748 -2.130 -3.178 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.173 -2.777 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.860 -1.787 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.037 -3.337 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.251 -3.480 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.623 0.281 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.623 -2.449 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.992 1.314 -4.041 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.989 -0.052 -6.111 1.00 0.00 H new ATOM 678 N PHE B 25 -9.601 -0.346 0.135 1.00 0.00 N ATOM 679 CA PHE B 25 -10.007 1.073 0.352 1.00 0.00 C ATOM 680 C PHE B 25 -8.763 1.914 0.635 1.00 0.00 C ATOM 681 O PHE B 25 -8.502 2.300 1.757 1.00 0.00 O ATOM 682 CB PHE B 25 -10.976 1.173 1.537 1.00 0.00 C ATOM 683 CG PHE B 25 -10.607 0.159 2.594 1.00 0.00 C ATOM 684 CD1 PHE B 25 -9.650 0.478 3.565 1.00 0.00 C ATOM 685 CD2 PHE B 25 -11.220 -1.098 2.602 1.00 0.00 C ATOM 686 CE1 PHE B 25 -9.308 -0.462 4.546 1.00 0.00 C ATOM 687 CE2 PHE B 25 -10.879 -2.037 3.581 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.924 -1.720 4.554 1.00 0.00 C ATOM 0 H PHE B 25 -9.588 -0.929 0.972 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.508 1.443 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.945 2.178 1.959 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.997 1.001 1.197 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.176 1.448 3.558 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.957 -1.344 1.852 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.570 -0.217 5.295 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.353 -3.007 3.586 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.662 -2.445 5.311 1.00 0.00 H new ATOM 698 N TYR B 26 -7.990 2.198 -0.379 1.00 0.00 N ATOM 699 CA TYR B 26 -6.759 3.013 -0.174 1.00 0.00 C ATOM 700 C TYR B 26 -7.152 4.456 0.151 1.00 0.00 C ATOM 701 O TYR B 26 -8.075 5.001 -0.423 1.00 0.00 O ATOM 702 CB TYR B 26 -5.914 2.983 -1.449 1.00 0.00 C ATOM 703 CG TYR B 26 -4.802 3.998 -1.349 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.033 4.087 -0.182 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.534 4.849 -2.428 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.998 5.026 -0.096 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.501 5.787 -2.341 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.731 5.876 -1.175 1.00 0.00 C ATOM 709 OH TYR B 26 -1.713 6.801 -1.089 1.00 0.00 O ATOM 0 H TYR B 26 -8.158 1.901 -1.340 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.180 2.602 0.654 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.497 1.987 -1.597 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.539 3.199 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.238 3.432 0.651 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.126 4.781 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.405 5.094 0.804 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.297 6.444 -3.174 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.662 7.310 -1.925 1.00 0.00 H new ATOM 719 N THR B 27 -6.467 5.076 1.071 1.00 0.00 N ATOM 720 CA THR B 27 -6.812 6.479 1.434 1.00 0.00 C ATOM 721 C THR B 27 -5.638 7.408 1.101 1.00 0.00 C ATOM 722 O THR B 27 -4.914 7.831 1.981 1.00 0.00 O ATOM 723 CB THR B 27 -7.113 6.557 2.932 1.00 0.00 C ATOM 724 OG1 THR B 27 -7.287 5.242 3.446 1.00 0.00 O ATOM 725 CG2 THR B 27 -8.389 7.368 3.158 1.00 0.00 C ATOM 0 H THR B 27 -5.685 4.673 1.586 1.00 0.00 H new ATOM 0 HA THR B 27 -7.689 6.791 0.866 1.00 0.00 H new ATOM 0 HB THR B 27 -6.283 7.043 3.445 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.478 5.289 4.406 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.601 7.422 4.226 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.255 8.375 2.763 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.222 6.886 2.646 1.00 0.00 H new ATOM 733 N PRO B 28 -5.494 7.702 -0.165 1.00 0.00 N ATOM 734 CA PRO B 28 -4.423 8.588 -0.679 1.00 0.00 C ATOM 735 C PRO B 28 -4.528 9.971 -0.029 1.00 0.00 C ATOM 736 O PRO B 28 -5.282 10.176 0.901 1.00 0.00 O ATOM 737 CB PRO B 28 -4.648 8.688 -2.193 1.00 0.00 C ATOM 738 CG PRO B 28 -5.858 7.798 -2.542 1.00 0.00 C ATOM 739 CD PRO B 28 -6.376 7.185 -1.235 1.00 0.00 C ATOM 0 HA PRO B 28 -3.432 8.197 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.835 9.721 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -3.761 8.359 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -6.639 8.386 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.568 7.016 -3.243 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.414 7.467 -1.056 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.344 6.096 -1.275 1.00 0.00 H new ATOM 747 N LYS B 29 -3.776 10.922 -0.514 1.00 0.00 N ATOM 748 CA LYS B 29 -3.831 12.291 0.079 1.00 0.00 C ATOM 749 C LYS B 29 -4.636 13.215 -0.838 1.00 0.00 C ATOM 750 O LYS B 29 -5.098 12.814 -1.888 1.00 0.00 O ATOM 751 CB LYS B 29 -2.409 12.839 0.231 1.00 0.00 C ATOM 752 CG LYS B 29 -1.451 11.693 0.564 1.00 0.00 C ATOM 753 CD LYS B 29 -0.311 12.220 1.440 1.00 0.00 C ATOM 754 CE LYS B 29 0.486 13.272 0.665 1.00 0.00 C ATOM 755 NZ LYS B 29 0.378 14.588 1.358 1.00 0.00 N ATOM 0 H LYS B 29 -3.127 10.812 -1.293 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.310 12.242 1.057 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -2.097 13.331 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -2.380 13.591 1.019 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -1.985 10.897 1.083 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -1.050 11.262 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -0.713 12.655 2.355 1.00 0.00 H new ATOM 0 HD3 LYS B 29 0.342 11.400 1.737 1.00 0.00 H new ATOM 0 HE2 LYS B 29 1.531 12.972 0.593 1.00 0.00 H new ATOM 0 HE3 LYS B 29 0.107 13.353 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 0.919 15.303 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -0.621 14.875 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 0.760 14.505 2.322 1.00 0.00 H new ATOM 769 N THR B 30 -4.807 14.450 -0.450 1.00 0.00 N ATOM 770 CA THR B 30 -5.582 15.398 -1.298 1.00 0.00 C ATOM 771 C THR B 30 -4.633 16.107 -2.266 1.00 0.00 C ATOM 772 O THR B 30 -3.475 16.271 -1.915 1.00 0.00 O ATOM 773 CB THR B 30 -6.273 16.435 -0.407 1.00 0.00 C ATOM 774 OG1 THR B 30 -6.178 16.028 0.950 1.00 0.00 O ATOM 775 CG2 THR B 30 -7.744 16.553 -0.806 1.00 0.00 C ATOM 776 OXT THR B 30 -5.078 16.477 -3.339 1.00 0.00 O ATOM 0 H THR B 30 -4.443 14.843 0.418 1.00 0.00 H new ATOM 0 HA THR B 30 -6.334 14.848 -1.863 1.00 0.00 H new ATOM 0 HB THR B 30 -5.788 17.403 -0.531 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.618 16.691 1.522 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.235 17.291 -0.172 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.814 16.866 -1.848 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.233 15.587 -0.683 1.00 0.00 H new TER 784 THR B 30