USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 27 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.00786 X(o=0.0079,f=-0.32) USER MOD Single : A 5 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.016) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.393 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0376 K(o=-0.038,f=-2.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.4!) USER MOD Single : B 1 PHE N :NH3+ -105:sc= 0.0794 (180deg=-0.38) USER MOD Single : B 3 ASN : amide:sc= -0.485! C(o=-0.49!,f=-5.7!) USER MOD Single : B 4 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.7) USER MOD Single : B 5 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -5.06! C(o=-6.1!,f=-5.1!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 122:sc= -0.434 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.586 2.365 4.596 1.00 0.00 N ATOM 2 CA GLY A 1 -6.718 3.613 4.750 1.00 0.00 C ATOM 3 C GLY A 1 -5.413 3.690 4.034 1.00 0.00 C ATOM 4 O GLY A 1 -4.483 4.327 4.486 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.455 2.475 5.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.835 2.237 3.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.060 1.533 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.316 4.468 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.516 3.741 5.813 1.00 0.00 H new ATOM 10 N ILE A 2 -5.306 3.045 2.905 1.00 0.00 N ATOM 11 CA ILE A 2 -4.026 3.084 2.143 1.00 0.00 C ATOM 12 C ILE A 2 -4.181 3.999 0.928 1.00 0.00 C ATOM 13 O ILE A 2 -3.214 4.472 0.366 1.00 0.00 O ATOM 14 CB ILE A 2 -3.668 1.672 1.677 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.210 1.646 1.210 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.582 1.266 0.520 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.838 0.229 0.773 1.00 0.00 C ATOM 0 H ILE A 2 -6.049 2.493 2.477 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.233 3.467 2.785 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.799 0.973 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.070 2.341 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.553 1.973 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.325 0.260 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.620 1.285 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.453 1.964 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.800 0.211 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.962 -0.455 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.487 -0.081 -0.046 1.00 0.00 H new ATOM 29 N VAL A 3 -5.391 4.246 0.521 1.00 0.00 N ATOM 30 CA VAL A 3 -5.613 5.125 -0.660 1.00 0.00 C ATOM 31 C VAL A 3 -5.341 6.580 -0.273 1.00 0.00 C ATOM 32 O VAL A 3 -4.498 7.236 -0.850 1.00 0.00 O ATOM 33 CB VAL A 3 -7.060 4.984 -1.137 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.138 5.311 -2.629 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.534 3.547 -0.905 1.00 0.00 C ATOM 0 H VAL A 3 -6.238 3.878 0.954 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.937 4.832 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.696 5.672 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.168 5.211 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.798 6.333 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.503 4.622 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.565 3.445 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.898 2.860 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.477 3.312 0.158 1.00 0.00 H new ATOM 45 N GLU A 4 -6.046 7.091 0.698 1.00 0.00 N ATOM 46 CA GLU A 4 -5.822 8.504 1.111 1.00 0.00 C ATOM 47 C GLU A 4 -4.496 8.616 1.865 1.00 0.00 C ATOM 48 O GLU A 4 -3.938 9.686 2.009 1.00 0.00 O ATOM 49 CB GLU A 4 -6.964 8.962 2.020 1.00 0.00 C ATOM 50 CG GLU A 4 -8.299 8.789 1.294 1.00 0.00 C ATOM 51 CD GLU A 4 -9.336 8.213 2.261 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.934 8.989 2.989 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.513 7.006 2.257 1.00 0.00 O ATOM 0 H GLU A 4 -6.765 6.593 1.222 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.789 9.136 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.963 8.382 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.823 10.006 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.641 9.749 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.176 8.125 0.438 1.00 0.00 H new ATOM 60 N GLN A 5 -3.986 7.520 2.349 1.00 0.00 N ATOM 61 CA GLN A 5 -2.696 7.567 3.092 1.00 0.00 C ATOM 62 C GLN A 5 -1.541 7.643 2.097 1.00 0.00 C ATOM 63 O GLN A 5 -0.528 8.266 2.347 1.00 0.00 O ATOM 64 CB GLN A 5 -2.551 6.308 3.948 1.00 0.00 C ATOM 65 CG GLN A 5 -1.369 6.474 4.904 1.00 0.00 C ATOM 66 CD GLN A 5 -1.820 7.256 6.139 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.262 6.677 7.111 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.726 8.558 6.141 1.00 0.00 N ATOM 0 H GLN A 5 -4.405 6.594 2.263 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.680 8.446 3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.467 6.132 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.397 5.438 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.985 5.497 5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.554 6.999 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.355 9.044 5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.024 9.090 6.959 1.00 0.00 H new ATOM 77 N CYS A 6 -1.689 7.014 0.969 1.00 0.00 N ATOM 78 CA CYS A 6 -0.605 7.046 -0.052 1.00 0.00 C ATOM 79 C CYS A 6 -1.011 7.978 -1.191 1.00 0.00 C ATOM 80 O CYS A 6 -0.181 8.534 -1.882 1.00 0.00 O ATOM 81 CB CYS A 6 -0.378 5.635 -0.594 1.00 0.00 C ATOM 82 SG CYS A 6 -0.158 4.497 0.794 1.00 0.00 S ATOM 0 H CYS A 6 -2.516 6.477 0.707 1.00 0.00 H new ATOM 0 HA CYS A 6 0.317 7.411 0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.227 5.325 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.501 5.617 -1.239 1.00 0.00 H new ATOM 87 N CYS A 7 -2.285 8.155 -1.384 1.00 0.00 N ATOM 88 CA CYS A 7 -2.764 9.054 -2.469 1.00 0.00 C ATOM 89 C CYS A 7 -2.994 10.450 -1.889 1.00 0.00 C ATOM 90 O CYS A 7 -2.562 11.440 -2.444 1.00 0.00 O ATOM 91 CB CYS A 7 -4.063 8.487 -3.046 1.00 0.00 C ATOM 92 SG CYS A 7 -4.390 9.235 -4.662 1.00 0.00 S ATOM 0 H CYS A 7 -3.021 7.713 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.025 9.121 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.986 7.404 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.892 8.688 -2.367 1.00 0.00 H new ATOM 97 N THR A 8 -3.639 10.537 -0.758 1.00 0.00 N ATOM 98 CA THR A 8 -3.857 11.871 -0.130 1.00 0.00 C ATOM 99 C THR A 8 -2.597 12.220 0.677 1.00 0.00 C ATOM 100 O THR A 8 -2.377 13.355 1.050 1.00 0.00 O ATOM 101 CB THR A 8 -5.110 11.813 0.771 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.191 12.446 0.102 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.865 12.521 2.111 1.00 0.00 C ATOM 0 H THR A 8 -4.023 9.745 -0.243 1.00 0.00 H new ATOM 0 HA THR A 8 -4.026 12.642 -0.881 1.00 0.00 H new ATOM 0 HB THR A 8 -5.342 10.767 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.991 12.412 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.765 12.463 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.040 12.037 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.616 13.567 1.930 1.00 0.00 H new ATOM 111 N SER A 9 -1.768 11.242 0.933 1.00 0.00 N ATOM 112 CA SER A 9 -0.514 11.486 1.697 1.00 0.00 C ATOM 113 C SER A 9 0.575 10.559 1.150 1.00 0.00 C ATOM 114 O SER A 9 0.604 10.255 -0.026 1.00 0.00 O ATOM 115 CB SER A 9 -0.748 11.187 3.179 1.00 0.00 C ATOM 116 OG SER A 9 0.440 11.464 3.908 1.00 0.00 O ATOM 0 H SER A 9 -1.910 10.275 0.641 1.00 0.00 H new ATOM 0 HA SER A 9 -0.207 12.527 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.571 11.793 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.034 10.143 3.310 1.00 0.00 H new ATOM 0 HG SER A 9 0.292 11.275 4.858 1.00 0.00 H new ATOM 122 N ILE A 10 1.466 10.092 1.983 1.00 0.00 N ATOM 123 CA ILE A 10 2.530 9.175 1.482 1.00 0.00 C ATOM 124 C ILE A 10 2.649 7.958 2.395 1.00 0.00 C ATOM 125 O ILE A 10 2.228 7.978 3.535 1.00 0.00 O ATOM 126 CB ILE A 10 3.887 9.880 1.463 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.827 11.146 0.622 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.930 8.951 0.874 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.752 12.343 1.556 1.00 0.00 C ATOM 0 H ILE A 10 1.504 10.303 2.980 1.00 0.00 H new ATOM 0 HA ILE A 10 2.254 8.870 0.473 1.00 0.00 H new ATOM 0 HB ILE A 10 4.150 10.146 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.707 11.219 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.958 11.123 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.898 9.453 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.998 8.048 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.645 8.683 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.708 13.260 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.858 12.266 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.635 12.362 2.194 1.00 0.00 H new ATOM 141 N CYS A 11 3.249 6.907 1.908 1.00 0.00 N ATOM 142 CA CYS A 11 3.431 5.695 2.757 1.00 0.00 C ATOM 143 C CYS A 11 4.722 4.986 2.361 1.00 0.00 C ATOM 144 O CYS A 11 5.268 5.204 1.298 1.00 0.00 O ATOM 145 CB CYS A 11 2.268 4.721 2.577 1.00 0.00 C ATOM 146 SG CYS A 11 0.746 5.626 2.206 1.00 0.00 S ATOM 0 H CYS A 11 3.621 6.834 0.961 1.00 0.00 H new ATOM 0 HA CYS A 11 3.472 6.013 3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.490 4.023 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.136 4.129 3.483 1.00 0.00 H new ATOM 151 N SER A 12 5.203 4.127 3.210 1.00 0.00 N ATOM 152 CA SER A 12 6.452 3.381 2.898 1.00 0.00 C ATOM 153 C SER A 12 6.099 1.916 2.646 1.00 0.00 C ATOM 154 O SER A 12 5.156 1.393 3.205 1.00 0.00 O ATOM 155 CB SER A 12 7.419 3.478 4.079 1.00 0.00 C ATOM 156 OG SER A 12 6.978 2.616 5.120 1.00 0.00 O ATOM 0 H SER A 12 4.783 3.907 4.113 1.00 0.00 H new ATOM 0 HA SER A 12 6.926 3.807 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.425 3.201 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.469 4.506 4.439 1.00 0.00 H new ATOM 0 HG SER A 12 7.597 2.675 5.878 1.00 0.00 H new ATOM 162 N LEU A 13 6.838 1.250 1.806 1.00 0.00 N ATOM 163 CA LEU A 13 6.521 -0.176 1.526 1.00 0.00 C ATOM 164 C LEU A 13 6.284 -0.897 2.851 1.00 0.00 C ATOM 165 O LEU A 13 5.421 -1.744 2.962 1.00 0.00 O ATOM 166 CB LEU A 13 7.663 -0.821 0.716 1.00 0.00 C ATOM 167 CG LEU A 13 8.339 -1.963 1.493 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.206 -2.789 0.543 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.219 -1.378 2.598 1.00 0.00 C ATOM 0 H LEU A 13 7.642 1.628 1.304 1.00 0.00 H new ATOM 0 HA LEU A 13 5.615 -0.253 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.269 -1.205 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.405 -0.063 0.466 1.00 0.00 H new ATOM 0 HG LEU A 13 7.572 -2.601 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.684 -3.597 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.583 -3.209 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.971 -2.151 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.698 -2.188 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.983 -0.739 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.604 -0.790 3.279 1.00 0.00 H new ATOM 181 N TYR A 14 7.023 -0.547 3.860 1.00 0.00 N ATOM 182 CA TYR A 14 6.809 -1.197 5.178 1.00 0.00 C ATOM 183 C TYR A 14 5.322 -1.100 5.495 1.00 0.00 C ATOM 184 O TYR A 14 4.693 -2.049 5.917 1.00 0.00 O ATOM 185 CB TYR A 14 7.617 -0.470 6.253 1.00 0.00 C ATOM 186 CG TYR A 14 8.214 -1.483 7.195 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.466 -2.042 6.915 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.514 -1.867 8.346 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.022 -2.987 7.788 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.069 -2.812 9.219 1.00 0.00 C ATOM 191 CZ TYR A 14 9.323 -3.373 8.940 1.00 0.00 C ATOM 192 OH TYR A 14 9.869 -4.303 9.800 1.00 0.00 O ATOM 0 H TYR A 14 7.761 0.156 3.831 1.00 0.00 H new ATOM 0 HA TYR A 14 7.132 -2.238 5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.406 0.124 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.976 0.221 6.801 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.004 -1.745 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.548 -1.435 8.560 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.989 -3.418 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.531 -3.108 10.107 1.00 0.00 H new ATOM 0 HH TYR A 14 9.255 -4.456 10.549 1.00 0.00 H new ATOM 202 N GLN A 15 4.755 0.050 5.257 1.00 0.00 N ATOM 203 CA GLN A 15 3.304 0.240 5.500 1.00 0.00 C ATOM 204 C GLN A 15 2.539 -0.519 4.422 1.00 0.00 C ATOM 205 O GLN A 15 1.417 -0.944 4.611 1.00 0.00 O ATOM 206 CB GLN A 15 2.977 1.730 5.407 1.00 0.00 C ATOM 207 CG GLN A 15 3.457 2.444 6.672 1.00 0.00 C ATOM 208 CD GLN A 15 3.198 3.946 6.543 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.092 4.703 6.219 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.003 4.414 6.786 1.00 0.00 N ATOM 0 H GLN A 15 5.243 0.872 4.901 1.00 0.00 H new ATOM 0 HA GLN A 15 3.026 -0.130 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.457 2.163 4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.903 1.869 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.937 2.049 7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.520 2.260 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.252 3.779 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.821 5.414 6.704 1.00 0.00 H new ATOM 219 N LEU A 16 3.158 -0.698 3.292 1.00 0.00 N ATOM 220 CA LEU A 16 2.508 -1.434 2.181 1.00 0.00 C ATOM 221 C LEU A 16 2.548 -2.926 2.494 1.00 0.00 C ATOM 222 O LEU A 16 1.647 -3.668 2.160 1.00 0.00 O ATOM 223 CB LEU A 16 3.261 -1.153 0.877 1.00 0.00 C ATOM 224 CG LEU A 16 3.155 0.337 0.482 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.815 0.436 -1.004 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.057 1.051 1.285 1.00 0.00 C ATOM 0 H LEU A 16 4.099 -0.360 3.090 1.00 0.00 H new ATOM 0 HA LEU A 16 1.473 -1.111 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.309 -1.428 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.855 -1.774 0.078 1.00 0.00 H new ATOM 0 HG LEU A 16 4.111 0.815 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.738 1.485 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.599 -0.044 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.864 -0.062 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.008 2.097 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.097 0.573 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.286 0.990 2.349 1.00 0.00 H new ATOM 238 N GLU A 17 3.584 -3.368 3.152 1.00 0.00 N ATOM 239 CA GLU A 17 3.674 -4.808 3.505 1.00 0.00 C ATOM 240 C GLU A 17 2.609 -5.114 4.553 1.00 0.00 C ATOM 241 O GLU A 17 2.237 -6.251 4.766 1.00 0.00 O ATOM 242 CB GLU A 17 5.062 -5.113 4.073 1.00 0.00 C ATOM 243 CG GLU A 17 6.065 -5.246 2.928 1.00 0.00 C ATOM 244 CD GLU A 17 7.080 -6.342 3.262 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.687 -7.496 3.292 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.233 -6.007 3.483 1.00 0.00 O ATOM 0 H GLU A 17 4.369 -2.794 3.459 1.00 0.00 H new ATOM 0 HA GLU A 17 3.514 -5.423 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.372 -4.318 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.034 -6.035 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.545 -5.488 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.578 -4.298 2.768 1.00 0.00 H new ATOM 253 N ASN A 18 2.110 -4.099 5.204 1.00 0.00 N ATOM 254 CA ASN A 18 1.059 -4.320 6.234 1.00 0.00 C ATOM 255 C ASN A 18 -0.262 -4.657 5.540 1.00 0.00 C ATOM 256 O ASN A 18 -1.215 -5.077 6.166 1.00 0.00 O ATOM 257 CB ASN A 18 0.887 -3.048 7.068 1.00 0.00 C ATOM 258 CG ASN A 18 2.057 -2.915 8.045 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.129 -3.434 7.802 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.896 -2.237 9.148 1.00 0.00 N ATOM 0 H ASN A 18 2.386 -3.127 5.066 1.00 0.00 H new ATOM 0 HA ASN A 18 1.351 -5.143 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.844 -2.176 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.055 -3.084 7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.670 -2.143 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.997 -1.801 9.352 1.00 0.00 H new ATOM 267 N TYR A 19 -0.327 -4.472 4.248 1.00 0.00 N ATOM 268 CA TYR A 19 -1.584 -4.779 3.513 1.00 0.00 C ATOM 269 C TYR A 19 -1.470 -6.152 2.848 1.00 0.00 C ATOM 270 O TYR A 19 -2.284 -6.525 2.026 1.00 0.00 O ATOM 271 CB TYR A 19 -1.811 -3.717 2.436 1.00 0.00 C ATOM 272 CG TYR A 19 -1.996 -2.370 3.089 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.275 -1.945 3.470 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.889 -1.543 3.307 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.445 -0.691 4.072 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.056 -0.288 3.907 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.335 0.138 4.291 1.00 0.00 C ATOM 278 OH TYR A 19 -2.502 1.374 4.881 1.00 0.00 O ATOM 0 H TYR A 19 0.438 -4.121 3.672 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.420 -4.782 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.962 -3.689 1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.689 -3.969 1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.130 -2.583 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.096 -1.873 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.431 -0.363 4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.201 0.350 4.073 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.632 1.819 4.960 1.00 0.00 H new ATOM 288 N CYS A 20 -0.461 -6.906 3.189 1.00 0.00 N ATOM 289 CA CYS A 20 -0.290 -8.250 2.568 1.00 0.00 C ATOM 290 C CYS A 20 -1.403 -9.187 3.036 1.00 0.00 C ATOM 291 O CYS A 20 -1.988 -9.003 4.085 1.00 0.00 O ATOM 292 CB CYS A 20 1.068 -8.824 2.968 1.00 0.00 C ATOM 293 SG CYS A 20 2.379 -7.718 2.390 1.00 0.00 S ATOM 0 H CYS A 20 0.253 -6.649 3.871 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.341 -8.154 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.123 -8.937 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.197 -9.817 2.537 1.00 0.00 H new ATOM 298 N ASN A 21 -1.697 -10.196 2.260 1.00 0.00 N ATOM 299 CA ASN A 21 -2.771 -11.152 2.652 1.00 0.00 C ATOM 300 C ASN A 21 -2.366 -11.877 3.936 1.00 0.00 C ATOM 301 O ASN A 21 -3.163 -12.661 4.427 1.00 0.00 O ATOM 302 CB ASN A 21 -2.972 -12.174 1.530 1.00 0.00 C ATOM 303 CG ASN A 21 -1.731 -13.062 1.421 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.706 -12.768 2.005 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.779 -14.143 0.692 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.267 -11.638 4.407 1.00 0.00 O ATOM 0 H ASN A 21 -1.239 -10.399 1.371 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.700 -10.608 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.852 -12.784 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.150 -11.662 0.584 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.957 -14.741 0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.639 -14.390 0.202 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.791 0.763 0.572 1.00 0.00 N ATOM 315 CA PHE B 1 11.788 1.674 -0.048 1.00 0.00 C ATOM 316 C PHE B 1 11.719 2.977 0.751 1.00 0.00 C ATOM 317 O PHE B 1 12.464 3.183 1.689 1.00 0.00 O ATOM 318 CB PHE B 1 10.413 1.004 -0.042 1.00 0.00 C ATOM 319 CG PHE B 1 10.153 0.366 -1.386 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.111 -0.479 -1.961 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.948 0.616 -2.058 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.867 -1.072 -3.207 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.704 0.024 -3.304 1.00 0.00 C ATOM 324 CZ PHE B 1 9.661 -0.820 -3.879 1.00 0.00 C ATOM 0 H1 PHE B 1 13.653 0.748 -0.010 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.024 1.102 1.527 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.397 -0.198 0.631 1.00 0.00 H new ATOM 0 HA PHE B 1 12.083 1.890 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.368 0.250 0.744 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.640 1.740 0.178 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.039 -0.674 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.208 1.265 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.607 -1.723 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.776 0.219 -3.821 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.472 -1.277 -4.839 1.00 0.00 H new ATOM 336 N VAL B 2 10.829 3.857 0.385 1.00 0.00 N ATOM 337 CA VAL B 2 10.702 5.145 1.110 1.00 0.00 C ATOM 338 C VAL B 2 9.286 5.680 0.902 1.00 0.00 C ATOM 339 O VAL B 2 8.533 5.176 0.091 1.00 0.00 O ATOM 340 CB VAL B 2 11.741 6.133 0.557 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.957 5.866 -0.931 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.266 7.576 0.741 1.00 0.00 C ATOM 0 H VAL B 2 10.180 3.735 -0.392 1.00 0.00 H new ATOM 0 HA VAL B 2 10.881 5.010 2.177 1.00 0.00 H new ATOM 0 HB VAL B 2 12.674 5.995 1.103 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.694 6.567 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.316 4.846 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.015 5.994 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.016 8.259 0.343 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.325 7.720 0.210 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.118 7.778 1.802 1.00 0.00 H new ATOM 352 N ASN B 3 8.921 6.695 1.623 1.00 0.00 N ATOM 353 CA ASN B 3 7.549 7.258 1.456 1.00 0.00 C ATOM 354 C ASN B 3 7.337 7.594 -0.022 1.00 0.00 C ATOM 355 O ASN B 3 8.184 8.187 -0.661 1.00 0.00 O ATOM 356 CB ASN B 3 7.358 8.528 2.308 1.00 0.00 C ATOM 357 CG ASN B 3 8.340 8.536 3.483 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.794 7.496 3.917 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.688 9.673 4.018 1.00 0.00 N ATOM 0 H ASN B 3 9.505 7.161 2.318 1.00 0.00 H new ATOM 0 HA ASN B 3 6.821 6.519 1.790 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.512 9.414 1.691 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.335 8.573 2.681 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.341 9.689 4.801 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.307 10.546 3.653 1.00 0.00 H new ATOM 366 N GLN B 4 6.213 7.223 -0.571 1.00 0.00 N ATOM 367 CA GLN B 4 5.946 7.524 -2.004 1.00 0.00 C ATOM 368 C GLN B 4 4.446 7.738 -2.207 1.00 0.00 C ATOM 369 O GLN B 4 3.629 6.988 -1.708 1.00 0.00 O ATOM 370 CB GLN B 4 6.413 6.352 -2.870 1.00 0.00 C ATOM 371 CG GLN B 4 7.082 6.886 -4.137 1.00 0.00 C ATOM 372 CD GLN B 4 7.220 5.754 -5.157 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.238 5.273 -5.684 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.409 5.307 -5.458 1.00 0.00 N ATOM 0 H GLN B 4 5.467 6.723 -0.087 1.00 0.00 H new ATOM 0 HA GLN B 4 6.487 8.426 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.113 5.730 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.565 5.720 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.491 7.699 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.063 7.296 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.233 5.712 -5.015 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.514 4.553 -6.137 1.00 0.00 H new ATOM 383 N HIS B 5 4.079 8.759 -2.928 1.00 0.00 N ATOM 384 CA HIS B 5 2.633 9.025 -3.159 1.00 0.00 C ATOM 385 C HIS B 5 2.067 7.956 -4.092 1.00 0.00 C ATOM 386 O HIS B 5 2.559 7.742 -5.182 1.00 0.00 O ATOM 387 CB HIS B 5 2.466 10.401 -3.797 1.00 0.00 C ATOM 388 CG HIS B 5 2.363 11.447 -2.722 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.221 11.590 -1.964 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.261 12.387 -2.292 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.451 12.596 -1.108 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.685 13.115 -1.272 1.00 0.00 N ATOM 0 H HIS B 5 4.718 9.421 -3.368 1.00 0.00 H new ATOM 0 HA HIS B 5 2.099 9.000 -2.209 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.313 10.616 -4.448 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.573 10.417 -4.421 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.367 11.038 -2.040 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.256 12.534 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.737 12.947 -0.378 1.00 0.00 H new ATOM 400 N LEU B 6 1.039 7.277 -3.667 1.00 0.00 N ATOM 401 CA LEU B 6 0.438 6.212 -4.514 1.00 0.00 C ATOM 402 C LEU B 6 -1.080 6.390 -4.560 1.00 0.00 C ATOM 403 O LEU B 6 -1.630 7.205 -3.854 1.00 0.00 O ATOM 404 CB LEU B 6 0.764 4.857 -3.904 1.00 0.00 C ATOM 405 CG LEU B 6 1.917 4.191 -4.651 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.983 5.213 -5.034 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.538 3.140 -3.743 1.00 0.00 C ATOM 0 H LEU B 6 0.587 7.416 -2.763 1.00 0.00 H new ATOM 0 HA LEU B 6 0.841 6.275 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.028 4.980 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.117 4.216 -3.939 1.00 0.00 H new ATOM 0 HG LEU B 6 1.532 3.737 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.793 4.713 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.543 5.974 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.376 5.684 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.364 2.654 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.909 3.616 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.786 2.396 -3.481 1.00 0.00 H new ATOM 419 N CYS B 7 -1.767 5.633 -5.378 1.00 0.00 N ATOM 420 CA CYS B 7 -3.253 5.793 -5.444 1.00 0.00 C ATOM 421 C CYS B 7 -3.936 4.494 -5.893 1.00 0.00 C ATOM 422 O CYS B 7 -4.480 3.759 -5.097 1.00 0.00 O ATOM 423 CB CYS B 7 -3.605 6.906 -6.438 1.00 0.00 C ATOM 424 SG CYS B 7 -2.942 8.488 -5.858 1.00 0.00 S ATOM 0 H CYS B 7 -1.372 4.922 -5.994 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.608 6.046 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.197 6.670 -7.421 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.687 6.975 -6.551 1.00 0.00 H new ATOM 429 N GLY B 8 -3.949 4.235 -7.167 1.00 0.00 N ATOM 430 CA GLY B 8 -4.636 3.011 -7.680 1.00 0.00 C ATOM 431 C GLY B 8 -3.624 1.948 -8.125 1.00 0.00 C ATOM 432 O GLY B 8 -3.025 1.272 -7.312 1.00 0.00 O ATOM 0 H GLY B 8 -3.513 4.818 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.280 2.600 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.279 3.277 -8.519 1.00 0.00 H new ATOM 436 N SER B 9 -3.438 1.788 -9.411 1.00 0.00 N ATOM 437 CA SER B 9 -2.479 0.761 -9.907 1.00 0.00 C ATOM 438 C SER B 9 -1.209 0.851 -9.085 1.00 0.00 C ATOM 439 O SER B 9 -0.774 -0.098 -8.468 1.00 0.00 O ATOM 440 CB SER B 9 -2.156 1.025 -11.379 1.00 0.00 C ATOM 441 OG SER B 9 -3.211 0.524 -12.189 1.00 0.00 O ATOM 0 H SER B 9 -3.910 2.326 -10.138 1.00 0.00 H new ATOM 0 HA SER B 9 -2.917 -0.233 -9.813 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.028 2.094 -11.549 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.216 0.544 -11.649 1.00 0.00 H new ATOM 0 HG SER B 9 -3.008 0.693 -13.133 1.00 0.00 H new ATOM 447 N HIS B 10 -0.621 1.999 -9.069 1.00 0.00 N ATOM 448 CA HIS B 10 0.631 2.196 -8.285 1.00 0.00 C ATOM 449 C HIS B 10 0.417 1.830 -6.804 1.00 0.00 C ATOM 450 O HIS B 10 1.360 1.770 -6.043 1.00 0.00 O ATOM 451 CB HIS B 10 1.116 3.653 -8.373 1.00 0.00 C ATOM 452 CG HIS B 10 0.006 4.581 -8.793 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.316 4.633 -8.444 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.237 5.607 -9.686 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.909 5.685 -9.116 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.929 6.244 -9.852 1.00 0.00 N flip ATOM 0 H HIS B 10 -0.951 2.825 -9.568 1.00 0.00 H new ATOM 0 HA HIS B 10 1.386 1.539 -8.715 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.507 3.966 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.938 3.721 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.177 5.850 -10.160 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.942 5.994 -9.062 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.059 7.052 -10.460 1.00 0.00 H new ATOM 464 N LEU B 11 -0.790 1.542 -6.385 1.00 0.00 N ATOM 465 CA LEU B 11 -1.001 1.154 -4.965 1.00 0.00 C ATOM 466 C LEU B 11 -1.041 -0.345 -4.937 1.00 0.00 C ATOM 467 O LEU B 11 -0.329 -1.003 -4.204 1.00 0.00 O ATOM 468 CB LEU B 11 -2.336 1.698 -4.445 1.00 0.00 C ATOM 469 CG LEU B 11 -2.103 2.936 -3.580 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.392 3.289 -2.848 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.025 2.641 -2.538 1.00 0.00 C ATOM 0 H LEU B 11 -1.630 1.560 -6.963 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.206 1.557 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.986 1.949 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.848 0.931 -3.864 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.789 3.762 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.229 4.172 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.178 3.494 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.692 2.453 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.861 3.526 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.347 1.814 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.096 2.372 -3.041 1.00 0.00 H new ATOM 483 N VAL B 12 -1.846 -0.882 -5.783 1.00 0.00 N ATOM 484 CA VAL B 12 -1.928 -2.337 -5.886 1.00 0.00 C ATOM 485 C VAL B 12 -0.580 -2.798 -6.409 1.00 0.00 C ATOM 486 O VAL B 12 -0.117 -3.888 -6.134 1.00 0.00 O ATOM 487 CB VAL B 12 -3.039 -2.698 -6.871 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.214 -1.740 -6.681 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.521 -2.577 -8.308 1.00 0.00 C ATOM 0 H VAL B 12 -2.458 -0.366 -6.415 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.154 -2.811 -4.931 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.361 -3.723 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.008 -1.995 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.590 -1.823 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.883 -0.718 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.318 -2.836 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.196 -1.553 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.680 -3.256 -8.450 1.00 0.00 H new ATOM 499 N GLU B 13 0.054 -1.941 -7.158 1.00 0.00 N ATOM 500 CA GLU B 13 1.377 -2.277 -7.702 1.00 0.00 C ATOM 501 C GLU B 13 2.365 -2.216 -6.546 1.00 0.00 C ATOM 502 O GLU B 13 3.134 -3.127 -6.314 1.00 0.00 O ATOM 503 CB GLU B 13 1.766 -1.272 -8.785 1.00 0.00 C ATOM 504 CG GLU B 13 1.025 -1.611 -10.079 1.00 0.00 C ATOM 505 CD GLU B 13 1.994 -1.527 -11.261 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.169 -0.438 -11.782 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.545 -2.554 -11.623 1.00 0.00 O ATOM 0 H GLU B 13 -0.298 -1.018 -7.413 1.00 0.00 H new ATOM 0 HA GLU B 13 1.373 -3.269 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.517 -0.260 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.843 -1.298 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.599 -2.612 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.195 -0.920 -10.226 1.00 0.00 H new ATOM 514 N ALA B 14 2.316 -1.149 -5.794 1.00 0.00 N ATOM 515 CA ALA B 14 3.208 -1.021 -4.622 1.00 0.00 C ATOM 516 C ALA B 14 2.944 -2.204 -3.696 1.00 0.00 C ATOM 517 O ALA B 14 3.849 -2.903 -3.288 1.00 0.00 O ATOM 518 CB ALA B 14 2.874 0.282 -3.903 1.00 0.00 C ATOM 0 H ALA B 14 1.689 -0.359 -5.948 1.00 0.00 H new ATOM 0 HA ALA B 14 4.256 -1.013 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.522 0.395 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.027 1.121 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.833 0.262 -3.579 1.00 0.00 H new ATOM 524 N LEU B 15 1.700 -2.442 -3.379 1.00 0.00 N ATOM 525 CA LEU B 15 1.369 -3.592 -2.496 1.00 0.00 C ATOM 526 C LEU B 15 1.794 -4.877 -3.192 1.00 0.00 C ATOM 527 O LEU B 15 2.391 -5.757 -2.605 1.00 0.00 O ATOM 528 CB LEU B 15 -0.143 -3.644 -2.245 1.00 0.00 C ATOM 529 CG LEU B 15 -0.658 -2.377 -1.536 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.471 -2.801 -0.317 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.492 -1.484 -1.064 1.00 0.00 C ATOM 0 H LEU B 15 0.902 -1.890 -3.693 1.00 0.00 H new ATOM 0 HA LEU B 15 1.888 -3.479 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.664 -3.764 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.379 -4.519 -1.639 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.263 -1.811 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.844 -1.915 0.198 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.312 -3.416 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.839 -3.375 0.360 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.088 -0.601 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.119 -2.037 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.090 -1.177 -1.922 1.00 0.00 H new ATOM 543 N TYR B 16 1.485 -4.988 -4.444 1.00 0.00 N ATOM 544 CA TYR B 16 1.866 -6.212 -5.194 1.00 0.00 C ATOM 545 C TYR B 16 3.387 -6.340 -5.211 1.00 0.00 C ATOM 546 O TYR B 16 3.928 -7.403 -5.443 1.00 0.00 O ATOM 547 CB TYR B 16 1.350 -6.122 -6.631 1.00 0.00 C ATOM 548 CG TYR B 16 1.932 -7.258 -7.430 1.00 0.00 C ATOM 549 CD1 TYR B 16 3.216 -7.140 -7.976 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.193 -8.431 -7.616 1.00 0.00 C ATOM 551 CE1 TYR B 16 3.762 -8.199 -8.711 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.738 -9.491 -8.350 1.00 0.00 C ATOM 553 CZ TYR B 16 3.024 -9.376 -8.898 1.00 0.00 C ATOM 554 OH TYR B 16 3.561 -10.421 -9.621 1.00 0.00 O ATOM 0 H TYR B 16 0.984 -4.284 -4.986 1.00 0.00 H new ATOM 0 HA TYR B 16 1.427 -7.083 -4.708 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.261 -6.171 -6.644 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.632 -5.167 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.784 -6.233 -7.830 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.203 -8.519 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.752 -8.109 -9.134 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.168 -10.397 -8.494 1.00 0.00 H new ATOM 0 HH TYR B 16 2.919 -11.160 -9.654 1.00 0.00 H new ATOM 564 N LEU B 17 4.080 -5.268 -4.966 1.00 0.00 N ATOM 565 CA LEU B 17 5.566 -5.332 -4.968 1.00 0.00 C ATOM 566 C LEU B 17 6.059 -5.464 -3.530 1.00 0.00 C ATOM 567 O LEU B 17 7.095 -6.044 -3.270 1.00 0.00 O ATOM 568 CB LEU B 17 6.133 -4.061 -5.607 1.00 0.00 C ATOM 569 CG LEU B 17 7.324 -4.413 -6.507 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.949 -5.560 -7.447 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.701 -3.192 -7.344 1.00 0.00 C ATOM 0 H LEU B 17 3.684 -4.350 -4.764 1.00 0.00 H new ATOM 0 HA LEU B 17 5.901 -6.194 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.360 -3.562 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.447 -3.363 -4.831 1.00 0.00 H new ATOM 0 HG LEU B 17 8.165 -4.716 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.801 -5.803 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.672 -6.436 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.106 -5.260 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.547 -3.438 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.852 -2.897 -7.961 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.973 -2.368 -6.684 1.00 0.00 H new ATOM 583 N VAL B 18 5.318 -4.951 -2.587 1.00 0.00 N ATOM 584 CA VAL B 18 5.744 -5.076 -1.170 1.00 0.00 C ATOM 585 C VAL B 18 5.361 -6.465 -0.671 1.00 0.00 C ATOM 586 O VAL B 18 6.082 -7.095 0.078 1.00 0.00 O ATOM 587 CB VAL B 18 5.052 -4.010 -0.319 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.084 -2.667 -1.049 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.598 -4.413 -0.062 1.00 0.00 C ATOM 0 H VAL B 18 4.440 -4.453 -2.738 1.00 0.00 H new ATOM 0 HA VAL B 18 6.822 -4.935 -1.093 1.00 0.00 H new ATOM 0 HB VAL B 18 5.576 -3.920 0.633 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.590 -1.910 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.119 -2.373 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.566 -2.759 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.111 -3.650 0.545 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.074 -4.510 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.573 -5.367 0.465 1.00 0.00 H new ATOM 599 N CYS B 19 4.224 -6.945 -1.089 1.00 0.00 N ATOM 600 CA CYS B 19 3.778 -8.296 -0.652 1.00 0.00 C ATOM 601 C CYS B 19 4.256 -9.343 -1.659 1.00 0.00 C ATOM 602 O CYS B 19 4.276 -10.525 -1.380 1.00 0.00 O ATOM 603 CB CYS B 19 2.252 -8.318 -0.566 1.00 0.00 C ATOM 604 SG CYS B 19 1.709 -7.051 0.604 1.00 0.00 S ATOM 0 H CYS B 19 3.583 -6.459 -1.716 1.00 0.00 H new ATOM 0 HA CYS B 19 4.200 -8.524 0.327 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.817 -8.134 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.907 -9.301 -0.244 1.00 0.00 H new ATOM 609 N GLY B 20 4.650 -8.917 -2.828 1.00 0.00 N ATOM 610 CA GLY B 20 5.135 -9.886 -3.853 1.00 0.00 C ATOM 611 C GLY B 20 3.979 -10.771 -4.322 1.00 0.00 C ATOM 612 O GLY B 20 2.852 -10.332 -4.437 1.00 0.00 O ATOM 0 H GLY B 20 4.657 -7.939 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.560 -9.349 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.930 -10.503 -3.435 1.00 0.00 H new ATOM 616 N GLU B 21 4.252 -12.018 -4.601 1.00 0.00 N ATOM 617 CA GLU B 21 3.174 -12.934 -5.069 1.00 0.00 C ATOM 618 C GLU B 21 2.131 -13.111 -3.963 1.00 0.00 C ATOM 619 O GLU B 21 0.975 -13.376 -4.225 1.00 0.00 O ATOM 620 CB GLU B 21 3.779 -14.295 -5.421 1.00 0.00 C ATOM 621 CG GLU B 21 2.679 -15.227 -5.933 1.00 0.00 C ATOM 622 CD GLU B 21 2.792 -16.584 -5.237 1.00 0.00 C ATOM 623 OE1 GLU B 21 3.831 -17.209 -5.365 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.837 -16.975 -4.585 1.00 0.00 O ATOM 0 H GLU B 21 5.177 -12.441 -4.524 1.00 0.00 H new ATOM 0 HA GLU B 21 2.696 -12.507 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.552 -14.176 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.259 -14.729 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.699 -14.789 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.767 -15.352 -7.012 1.00 0.00 H new ATOM 631 N ARG B 22 2.529 -12.969 -2.729 1.00 0.00 N ATOM 632 CA ARG B 22 1.554 -13.131 -1.614 1.00 0.00 C ATOM 633 C ARG B 22 0.302 -12.310 -1.913 1.00 0.00 C ATOM 634 O ARG B 22 -0.797 -12.667 -1.538 1.00 0.00 O ATOM 635 CB ARG B 22 2.184 -12.643 -0.306 1.00 0.00 C ATOM 636 CG ARG B 22 3.365 -13.543 0.060 1.00 0.00 C ATOM 637 CD ARG B 22 2.849 -14.810 0.745 1.00 0.00 C ATOM 638 NE ARG B 22 3.646 -15.983 0.287 1.00 0.00 N ATOM 639 CZ ARG B 22 3.946 -16.934 1.128 1.00 0.00 C ATOM 640 NH1 ARG B 22 4.386 -16.638 2.320 1.00 0.00 N ATOM 641 NH2 ARG B 22 3.807 -18.184 0.775 1.00 0.00 N ATOM 0 H ARG B 22 3.484 -12.749 -2.445 1.00 0.00 H new ATOM 0 HA ARG B 22 1.286 -14.183 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.519 -11.612 -0.414 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.443 -12.655 0.493 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.928 -13.805 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.049 -13.012 0.722 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.923 -14.707 1.828 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.795 -14.959 0.511 1.00 0.00 H new ATOM 0 HE ARG B 22 3.957 -16.042 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.496 -15.662 2.595 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.620 -17.383 2.977 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.464 -18.416 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.041 -18.928 1.432 1.00 0.00 H new ATOM 655 N GLY B 23 0.465 -11.210 -2.586 1.00 0.00 N ATOM 656 CA GLY B 23 -0.706 -10.351 -2.918 1.00 0.00 C ATOM 657 C GLY B 23 -1.098 -9.533 -1.686 1.00 0.00 C ATOM 658 O GLY B 23 -0.393 -9.515 -0.695 1.00 0.00 O ATOM 0 H GLY B 23 1.363 -10.865 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.461 -9.687 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.544 -10.968 -3.241 1.00 0.00 H new ATOM 662 N PHE B 24 -2.206 -8.844 -1.736 1.00 0.00 N ATOM 663 CA PHE B 24 -2.616 -8.020 -0.564 1.00 0.00 C ATOM 664 C PHE B 24 -4.127 -7.782 -0.589 1.00 0.00 C ATOM 665 O PHE B 24 -4.826 -8.236 -1.474 1.00 0.00 O ATOM 666 CB PHE B 24 -1.896 -6.673 -0.626 1.00 0.00 C ATOM 667 CG PHE B 24 -1.903 -6.173 -2.050 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.068 -6.764 -3.005 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.745 -5.114 -2.418 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.073 -6.301 -4.327 1.00 0.00 C ATOM 671 CE2 PHE B 24 -2.749 -4.649 -3.740 1.00 0.00 C ATOM 672 CZ PHE B 24 -1.914 -5.242 -4.695 1.00 0.00 C ATOM 0 H PHE B 24 -2.842 -8.816 -2.533 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.353 -8.546 0.354 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.389 -5.953 0.027 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.871 -6.778 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.418 -7.579 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.390 -4.657 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.429 -6.760 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.397 -3.832 -4.023 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.918 -4.884 -5.714 1.00 0.00 H new ATOM 682 N PHE B 25 -4.633 -7.059 0.376 1.00 0.00 N ATOM 683 CA PHE B 25 -6.095 -6.772 0.415 1.00 0.00 C ATOM 684 C PHE B 25 -6.313 -5.278 0.172 1.00 0.00 C ATOM 685 O PHE B 25 -6.867 -4.578 0.996 1.00 0.00 O ATOM 686 CB PHE B 25 -6.654 -7.150 1.788 1.00 0.00 C ATOM 687 CG PHE B 25 -8.161 -7.081 1.754 1.00 0.00 C ATOM 688 CD1 PHE B 25 -8.881 -7.886 0.862 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.841 -6.209 2.616 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.280 -7.820 0.831 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.241 -6.143 2.585 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.960 -6.949 1.692 1.00 0.00 C ATOM 0 H PHE B 25 -4.093 -6.654 1.141 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.605 -7.352 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.331 -8.155 2.060 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.265 -6.474 2.549 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.357 -8.558 0.198 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.286 -5.588 3.304 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.835 -8.441 0.143 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.765 -5.471 3.249 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.039 -6.899 1.668 1.00 0.00 H new ATOM 702 N TYR B 26 -5.872 -4.788 -0.953 1.00 0.00 N ATOM 703 CA TYR B 26 -6.039 -3.340 -1.261 1.00 0.00 C ATOM 704 C TYR B 26 -7.431 -2.871 -0.836 1.00 0.00 C ATOM 705 O TYR B 26 -8.435 -3.335 -1.339 1.00 0.00 O ATOM 706 CB TYR B 26 -5.864 -3.128 -2.766 1.00 0.00 C ATOM 707 CG TYR B 26 -5.918 -1.654 -3.099 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.695 -0.689 -2.106 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.190 -1.252 -4.414 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.745 0.673 -2.429 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.242 0.109 -4.737 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.019 1.073 -3.744 1.00 0.00 C ATOM 713 OH TYR B 26 -6.073 2.413 -4.061 1.00 0.00 O ATOM 0 H TYR B 26 -5.401 -5.331 -1.676 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.291 -2.764 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.911 -3.546 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.646 -3.659 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.485 -0.996 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.360 -1.994 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.572 1.416 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.454 0.416 -5.751 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.420 2.609 -4.765 1.00 0.00 H new ATOM 723 N THR B 27 -7.499 -1.949 0.085 1.00 0.00 N ATOM 724 CA THR B 27 -8.825 -1.445 0.541 1.00 0.00 C ATOM 725 C THR B 27 -9.287 -0.319 -0.386 1.00 0.00 C ATOM 726 O THR B 27 -8.531 0.572 -0.722 1.00 0.00 O ATOM 727 CB THR B 27 -8.705 -0.913 1.972 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.815 0.194 1.991 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.169 -2.017 2.885 1.00 0.00 C ATOM 0 H THR B 27 -6.693 -1.523 0.542 1.00 0.00 H new ATOM 0 HA THR B 27 -9.551 -2.257 0.516 1.00 0.00 H new ATOM 0 HB THR B 27 -9.686 -0.597 2.326 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.489 0.336 2.904 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.084 -1.638 3.903 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.853 -2.866 2.870 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.188 -2.336 2.533 1.00 0.00 H new ATOM 737 N LYS B 28 -10.523 -0.351 -0.803 1.00 0.00 N ATOM 738 CA LYS B 28 -11.033 0.717 -1.711 1.00 0.00 C ATOM 739 C LYS B 28 -11.605 1.868 -0.876 1.00 0.00 C ATOM 740 O LYS B 28 -11.933 1.689 0.280 1.00 0.00 O ATOM 741 CB LYS B 28 -12.129 0.139 -2.608 1.00 0.00 C ATOM 742 CG LYS B 28 -13.290 -0.355 -1.743 1.00 0.00 C ATOM 743 CD LYS B 28 -13.888 -1.617 -2.367 1.00 0.00 C ATOM 744 CE LYS B 28 -15.278 -1.868 -1.783 1.00 0.00 C ATOM 745 NZ LYS B 28 -15.520 -3.336 -1.687 1.00 0.00 N ATOM 0 H LYS B 28 -11.202 -1.070 -0.555 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.217 1.091 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.480 0.899 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.730 -0.682 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.941 -0.566 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.052 0.420 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.952 -1.505 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.241 -2.473 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.358 -1.410 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.038 -1.404 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.466 -3.507 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.461 -3.760 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.802 -3.767 -1.070 1.00 0.00 H new ATOM 759 N PRO B 29 -11.705 3.018 -1.492 1.00 0.00 N ATOM 760 CA PRO B 29 -12.232 4.226 -0.835 1.00 0.00 C ATOM 761 C PRO B 29 -13.762 4.174 -0.766 1.00 0.00 C ATOM 762 O PRO B 29 -14.423 3.819 -1.721 1.00 0.00 O ATOM 763 CB PRO B 29 -11.765 5.364 -1.747 1.00 0.00 C ATOM 764 CG PRO B 29 -11.500 4.731 -3.135 1.00 0.00 C ATOM 765 CD PRO B 29 -11.303 3.221 -2.900 1.00 0.00 C ATOM 0 HA PRO B 29 -11.886 4.340 0.192 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.523 6.144 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.862 5.831 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.337 4.912 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.616 5.170 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.917 2.629 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.267 2.924 -3.065 1.00 0.00 H new ATOM 773 N THR B 30 -14.326 4.525 0.356 1.00 0.00 N ATOM 774 CA THR B 30 -15.810 4.495 0.487 1.00 0.00 C ATOM 775 C THR B 30 -16.399 5.789 -0.080 1.00 0.00 C ATOM 776 O THR B 30 -15.920 6.847 0.292 1.00 0.00 O ATOM 777 CB THR B 30 -16.190 4.364 1.963 1.00 0.00 C ATOM 778 OG1 THR B 30 -15.076 4.722 2.770 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.596 2.921 2.264 1.00 0.00 C ATOM 780 OXT THR B 30 -17.319 5.699 -0.876 1.00 0.00 O ATOM 0 H THR B 30 -13.823 4.832 1.189 1.00 0.00 H new ATOM 0 HA THR B 30 -16.206 3.643 -0.066 1.00 0.00 H new ATOM 0 HB THR B 30 -17.028 5.026 2.182 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.318 4.640 3.716 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.866 2.831 3.316 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.450 2.647 1.645 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.761 2.255 2.045 1.00 0.00 H new TER 788 THR B 30