USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 216 TYS H : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: B 213 THR OG1 : rot 180:sc= -0.211! USER MOD Set 1.2: B 214 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.119 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.328 USER MOD Single : A 7 THR OG1 : rot -14:sc= 0.629 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.3!) USER MOD Single : A 15 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -4.93! C(o=-4.9!,f=-1.9!) USER MOD Single : A 25 SER OG : rot -125:sc= 0.223 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 31 SER OG : rot 40:sc= 0.975 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0436 (180deg=-0.343) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= -3.09! (180deg=-5.6!) USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.407 USER MOD Single : A 44 LYS NZ :NH3+ -116:sc= 0.119 (180deg=-0.276) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -1.65! (180deg=-1.99!) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 0.00754 (180deg=-0.0919) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -136:sc= -1.08! USER MOD Single : A 62 MET CE :methyl -170:sc= -0.538 (180deg=-0.796) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -0.241 (180deg=-1.15!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.839 K(o=-0.84,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= -2.34 (180deg=-5.05!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.609 USER MOD Single : A 71 THR OG1 : rot 19:sc= 1.09 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot -23:sc= 0.412 USER MOD Single : B 215 SER OG : rot 180:sc= -0.141 USER MOD Single : B 216 TYS O3 : rot -73:sc= 0.534 USER MOD Single : B 217 TYS O3 : rot -114:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.900 -3.702 -11.853 1.00 0.00 N ATOM 2 CA GLY A 1 -7.061 -4.462 -13.126 1.00 0.00 C ATOM 3 C GLY A 1 -7.000 -5.959 -12.837 1.00 0.00 C ATOM 4 O GLY A 1 -6.905 -6.375 -11.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.776 -3.182 -11.646 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.699 -4.364 -11.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.112 -3.030 -11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.012 -4.210 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.276 -4.184 -13.829 1.00 0.00 H new ATOM 10 N PRO A 2 -7.054 -6.767 -13.863 1.00 0.00 N ATOM 11 CA PRO A 2 -7.005 -8.252 -13.723 1.00 0.00 C ATOM 12 C PRO A 2 -5.906 -8.706 -12.762 1.00 0.00 C ATOM 13 O PRO A 2 -4.722 -8.478 -13.008 1.00 0.00 O ATOM 14 CB PRO A 2 -6.732 -8.733 -15.154 1.00 0.00 C ATOM 15 CG PRO A 2 -7.330 -7.678 -16.030 1.00 0.00 C ATOM 16 CD PRO A 2 -7.168 -6.355 -15.272 1.00 0.00 C ATOM 0 HA PRO A 2 -7.923 -8.661 -13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.663 -8.841 -15.338 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.188 -9.706 -15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.824 -7.639 -16.995 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.381 -7.887 -16.230 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.283 -5.811 -15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.023 -5.697 -15.428 1.00 0.00 H new ATOM 24 N ALA A 3 -6.309 -9.349 -11.671 1.00 0.00 N ATOM 25 CA ALA A 3 -5.351 -9.829 -10.682 1.00 0.00 C ATOM 26 C ALA A 3 -4.363 -8.727 -10.314 1.00 0.00 C ATOM 27 O ALA A 3 -4.450 -7.607 -10.818 1.00 0.00 O ATOM 28 CB ALA A 3 -4.591 -11.036 -11.235 1.00 0.00 C ATOM 0 H ALA A 3 -7.285 -9.549 -11.450 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.898 -10.124 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.877 -11.389 -10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.296 -11.834 -11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.058 -10.746 -12.140 1.00 0.00 H new ATOM 34 N SER A 4 -3.424 -9.052 -9.431 1.00 0.00 N ATOM 35 CA SER A 4 -2.424 -8.081 -9.002 1.00 0.00 C ATOM 36 C SER A 4 -1.305 -8.772 -8.229 1.00 0.00 C ATOM 37 O SER A 4 -0.221 -9.005 -8.764 1.00 0.00 O ATOM 38 CB SER A 4 -3.076 -7.017 -8.119 1.00 0.00 C ATOM 39 OG SER A 4 -3.876 -7.652 -7.130 1.00 0.00 O ATOM 0 H SER A 4 -3.335 -9.973 -9.001 1.00 0.00 H new ATOM 0 HA SER A 4 -2.000 -7.607 -9.887 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.311 -6.403 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.689 -6.350 -8.726 1.00 0.00 H new ATOM 0 HG SER A 4 -4.294 -6.972 -6.561 1.00 0.00 H new ATOM 45 N VAL A 5 -1.575 -9.095 -6.968 1.00 0.00 N ATOM 46 CA VAL A 5 -0.583 -9.758 -6.131 1.00 0.00 C ATOM 47 C VAL A 5 -1.209 -10.196 -4.805 1.00 0.00 C ATOM 48 O VAL A 5 -0.983 -9.585 -3.762 1.00 0.00 O ATOM 49 CB VAL A 5 0.609 -8.814 -5.887 1.00 0.00 C ATOM 50 CG1 VAL A 5 0.133 -7.489 -5.259 1.00 0.00 C ATOM 51 CG2 VAL A 5 1.634 -9.495 -4.962 1.00 0.00 C ATOM 0 H VAL A 5 -2.466 -8.910 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.223 -10.649 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 5 1.079 -8.593 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.990 -6.836 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.572 -7.000 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.356 -7.693 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.475 -8.822 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.162 -9.733 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.992 -10.413 -5.429 1.00 0.00 H new ATOM 61 N PRO A 6 -1.996 -11.241 -4.832 1.00 0.00 N ATOM 62 CA PRO A 6 -2.673 -11.771 -3.611 1.00 0.00 C ATOM 63 C PRO A 6 -1.707 -11.920 -2.435 1.00 0.00 C ATOM 64 O PRO A 6 -1.063 -12.958 -2.275 1.00 0.00 O ATOM 65 CB PRO A 6 -3.220 -13.131 -4.069 1.00 0.00 C ATOM 66 CG PRO A 6 -3.431 -12.979 -5.541 1.00 0.00 C ATOM 67 CD PRO A 6 -2.331 -12.032 -6.030 1.00 0.00 C ATOM 0 HA PRO A 6 -3.450 -11.102 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.517 -13.935 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.152 -13.375 -3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.368 -13.943 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.419 -12.572 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.466 -12.581 -6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.681 -11.398 -6.844 1.00 0.00 H new ATOM 75 N THR A 7 -1.613 -10.877 -1.617 1.00 0.00 N ATOM 76 CA THR A 7 -0.724 -10.902 -0.462 1.00 0.00 C ATOM 77 C THR A 7 -1.011 -9.719 0.459 1.00 0.00 C ATOM 78 O THR A 7 -1.395 -9.898 1.615 1.00 0.00 O ATOM 79 CB THR A 7 0.734 -10.851 -0.922 1.00 0.00 C ATOM 80 OG1 THR A 7 1.028 -12.011 -1.688 1.00 0.00 O ATOM 81 CG2 THR A 7 1.655 -10.794 0.298 1.00 0.00 C ATOM 0 H THR A 7 -2.138 -10.010 -1.731 1.00 0.00 H new ATOM 0 HA THR A 7 -0.898 -11.827 0.087 1.00 0.00 H new ATOM 0 HB THR A 7 0.892 -9.963 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.320 -12.676 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.693 -10.758 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.429 -9.903 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.500 -11.681 0.913 1.00 0.00 H new ATOM 89 N THR A 8 -0.822 -8.511 -0.062 1.00 0.00 N ATOM 90 CA THR A 8 -1.062 -7.305 0.722 1.00 0.00 C ATOM 91 C THR A 8 -2.559 -7.050 0.865 1.00 0.00 C ATOM 92 O THR A 8 -3.345 -7.393 -0.018 1.00 0.00 O ATOM 93 CB THR A 8 -0.399 -6.103 0.047 1.00 0.00 C ATOM 94 OG1 THR A 8 -0.674 -4.929 0.799 1.00 0.00 O ATOM 95 CG2 THR A 8 -0.947 -5.943 -1.371 1.00 0.00 C ATOM 0 H THR A 8 -0.506 -8.342 -1.017 1.00 0.00 H new ATOM 0 HA THR A 8 -0.632 -7.446 1.714 1.00 0.00 H new ATOM 0 HB THR A 8 0.678 -6.262 0.000 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.249 -4.158 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.473 -5.086 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.735 -6.844 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.025 -5.785 -1.329 1.00 0.00 H new ATOM 103 N CYS A 9 -2.946 -6.444 1.984 1.00 0.00 N ATOM 104 CA CYS A 9 -4.351 -6.147 2.233 1.00 0.00 C ATOM 105 C CYS A 9 -4.502 -5.287 3.486 1.00 0.00 C ATOM 106 O CYS A 9 -5.496 -4.579 3.649 1.00 0.00 O ATOM 107 CB CYS A 9 -5.138 -7.450 2.401 1.00 0.00 C ATOM 108 SG CYS A 9 -6.903 -7.125 2.171 1.00 0.00 S ATOM 0 H CYS A 9 -2.311 -6.151 2.727 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.746 -5.595 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.796 -8.189 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.961 -7.869 3.392 1.00 0.00 H new ATOM 113 N CYS A 10 -3.506 -5.355 4.365 1.00 0.00 N ATOM 114 CA CYS A 10 -3.526 -4.579 5.604 1.00 0.00 C ATOM 115 C CYS A 10 -4.921 -4.570 6.224 1.00 0.00 C ATOM 116 O CYS A 10 -5.772 -5.387 5.874 1.00 0.00 O ATOM 117 CB CYS A 10 -3.077 -3.143 5.329 1.00 0.00 C ATOM 118 SG CYS A 10 -4.394 -2.251 4.464 1.00 0.00 S ATOM 0 H CYS A 10 -2.677 -5.937 4.244 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.839 -5.048 6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.838 -2.640 6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.168 -3.144 4.727 1.00 0.00 H new ATOM 123 N PHE A 11 -5.145 -3.639 7.148 1.00 0.00 N ATOM 124 CA PHE A 11 -6.438 -3.531 7.814 1.00 0.00 C ATOM 125 C PHE A 11 -7.451 -2.834 6.912 1.00 0.00 C ATOM 126 O PHE A 11 -8.454 -3.428 6.515 1.00 0.00 O ATOM 127 CB PHE A 11 -6.288 -2.745 9.119 1.00 0.00 C ATOM 128 CG PHE A 11 -5.284 -3.437 10.009 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.702 -4.445 10.885 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.934 -3.069 9.960 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.772 -5.087 11.711 1.00 0.00 C ATOM 132 CE2 PHE A 11 -3.003 -3.710 10.786 1.00 0.00 C ATOM 133 CZ PHE A 11 -3.422 -4.718 11.662 1.00 0.00 C ATOM 0 H PHE A 11 -4.453 -2.954 7.450 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.797 -4.536 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.962 -1.727 8.908 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.250 -2.673 9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.744 -4.728 10.924 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.611 -2.290 9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.095 -5.866 12.385 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.962 -3.427 10.747 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.704 -5.211 12.300 1.00 0.00 H new ATOM 143 N ASN A 12 -7.184 -1.570 6.592 1.00 0.00 N ATOM 144 CA ASN A 12 -8.083 -0.799 5.734 1.00 0.00 C ATOM 145 C ASN A 12 -7.318 0.305 5.010 1.00 0.00 C ATOM 146 O ASN A 12 -6.593 0.039 4.053 1.00 0.00 O ATOM 147 CB ASN A 12 -9.206 -0.184 6.570 1.00 0.00 C ATOM 148 CG ASN A 12 -10.006 -1.284 7.258 1.00 0.00 C ATOM 149 OD1 ASN A 12 -10.598 -2.132 6.590 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.061 -1.322 8.561 1.00 0.00 N ATOM 0 H ASN A 12 -6.360 -1.060 6.910 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.513 -1.473 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.787 0.493 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.862 0.410 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.595 -2.055 9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.570 -0.619 9.113 1.00 0.00 H new ATOM 157 N LEU A 13 -7.490 1.549 5.466 1.00 0.00 N ATOM 158 CA LEU A 13 -6.818 2.701 4.851 1.00 0.00 C ATOM 159 C LEU A 13 -5.906 3.383 5.871 1.00 0.00 C ATOM 160 O LEU A 13 -6.100 3.246 7.078 1.00 0.00 O ATOM 161 CB LEU A 13 -7.858 3.719 4.337 1.00 0.00 C ATOM 162 CG LEU A 13 -9.111 3.002 3.814 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.172 4.043 3.449 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.762 2.184 2.568 1.00 0.00 C ATOM 0 H LEU A 13 -8.088 1.786 6.258 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.222 2.343 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.133 4.402 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.420 4.323 3.542 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.492 2.336 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.064 3.539 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.428 4.627 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.781 4.706 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.656 1.678 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.378 2.847 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.003 1.443 2.820 1.00 0.00 H new ATOM 176 N ALA A 14 -4.921 4.127 5.378 1.00 0.00 N ATOM 177 CA ALA A 14 -4.002 4.833 6.263 1.00 0.00 C ATOM 178 C ALA A 14 -4.769 5.853 7.095 1.00 0.00 C ATOM 179 O ALA A 14 -5.920 5.618 7.464 1.00 0.00 O ATOM 180 CB ALA A 14 -2.920 5.544 5.447 1.00 0.00 C ATOM 0 H ALA A 14 -4.740 4.256 4.383 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.527 4.109 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.241 6.067 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.361 4.810 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.386 6.262 4.772 1.00 0.00 H new ATOM 186 N ASN A 15 -4.137 6.987 7.383 1.00 0.00 N ATOM 187 CA ASN A 15 -4.789 8.028 8.169 1.00 0.00 C ATOM 188 C ASN A 15 -3.826 9.180 8.454 1.00 0.00 C ATOM 189 O ASN A 15 -4.064 9.984 9.355 1.00 0.00 O ATOM 190 CB ASN A 15 -5.296 7.438 9.495 1.00 0.00 C ATOM 191 CG ASN A 15 -4.313 6.393 10.009 1.00 0.00 C ATOM 192 OD1 ASN A 15 -3.159 6.362 9.582 1.00 0.00 O ATOM 193 ND2 ASN A 15 -4.702 5.528 10.905 1.00 0.00 N ATOM 0 H ASN A 15 -3.186 7.207 7.088 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.631 8.415 7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.416 8.231 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.277 6.986 9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.050 4.825 11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.659 5.555 11.258 1.00 0.00 H new ATOM 200 N ARG A 16 -2.737 9.256 7.692 1.00 0.00 N ATOM 201 CA ARG A 16 -1.748 10.319 7.891 1.00 0.00 C ATOM 202 C ARG A 16 -1.110 10.727 6.564 1.00 0.00 C ATOM 203 O ARG A 16 -1.811 11.091 5.620 1.00 0.00 O ATOM 204 CB ARG A 16 -0.672 9.847 8.874 1.00 0.00 C ATOM 205 CG ARG A 16 -1.309 9.623 10.254 1.00 0.00 C ATOM 206 CD ARG A 16 -0.228 9.375 11.320 1.00 0.00 C ATOM 207 NE ARG A 16 -0.728 9.757 12.635 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.894 11.033 12.964 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.609 11.971 12.104 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.344 11.349 14.149 1.00 0.00 N ATOM 0 H ARG A 16 -2.516 8.604 6.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.255 11.191 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.216 8.923 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.124 10.589 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.906 10.493 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.988 8.771 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.058 8.323 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.668 9.948 11.082 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.954 9.031 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.258 11.725 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.737 12.951 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.568 10.616 14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.471 12.329 14.402 1.00 0.00 H new ATOM 224 N LYS A 17 0.220 10.682 6.497 1.00 0.00 N ATOM 225 CA LYS A 17 0.926 11.068 5.275 1.00 0.00 C ATOM 226 C LYS A 17 2.306 10.425 5.201 1.00 0.00 C ATOM 227 O LYS A 17 3.241 10.849 5.881 1.00 0.00 O ATOM 228 CB LYS A 17 1.073 12.588 5.223 1.00 0.00 C ATOM 229 CG LYS A 17 1.867 12.979 3.968 1.00 0.00 C ATOM 230 CD LYS A 17 1.621 14.449 3.619 1.00 0.00 C ATOM 231 CE LYS A 17 2.347 15.343 4.622 1.00 0.00 C ATOM 232 NZ LYS A 17 2.182 16.771 4.228 1.00 0.00 N ATOM 0 H LYS A 17 0.824 10.386 7.264 1.00 0.00 H new ATOM 0 HA LYS A 17 0.340 10.719 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.090 13.059 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.584 12.946 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.931 12.811 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.573 12.346 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.974 14.657 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.552 14.663 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.947 15.183 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.405 15.084 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.677 17.379 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.583 16.918 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.171 17.014 4.217 1.00 0.00 H new ATOM 246 N ILE A 18 2.427 9.413 4.352 1.00 0.00 N ATOM 247 CA ILE A 18 3.696 8.719 4.169 1.00 0.00 C ATOM 248 C ILE A 18 4.700 9.680 3.500 1.00 0.00 C ATOM 249 O ILE A 18 4.337 10.368 2.546 1.00 0.00 O ATOM 250 CB ILE A 18 3.445 7.476 3.280 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.937 6.298 4.145 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.704 7.061 2.494 1.00 0.00 C ATOM 253 CD1 ILE A 18 4.101 5.527 4.788 1.00 0.00 C ATOM 0 H ILE A 18 1.663 9.054 3.779 1.00 0.00 H new ATOM 0 HA ILE A 18 4.109 8.398 5.125 1.00 0.00 H new ATOM 0 HB ILE A 18 2.682 7.743 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.276 6.676 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.347 5.620 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.480 6.185 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.017 7.882 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.506 6.822 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.707 4.707 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.748 5.127 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.675 6.200 5.425 1.00 0.00 H new ATOM 265 N PRO A 19 5.939 9.757 3.952 1.00 0.00 N ATOM 266 CA PRO A 19 6.945 10.678 3.329 1.00 0.00 C ATOM 267 C PRO A 19 7.169 10.349 1.849 1.00 0.00 C ATOM 268 O PRO A 19 7.188 9.181 1.461 1.00 0.00 O ATOM 269 CB PRO A 19 8.221 10.457 4.169 1.00 0.00 C ATOM 270 CG PRO A 19 8.028 9.125 4.813 1.00 0.00 C ATOM 271 CD PRO A 19 6.534 9.007 5.078 1.00 0.00 C ATOM 0 HA PRO A 19 6.622 11.719 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.113 10.468 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.345 11.243 4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.375 8.322 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.597 9.052 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.206 7.967 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.259 9.438 6.041 1.00 0.00 H new ATOM 279 N LEU A 20 7.318 11.387 1.028 1.00 0.00 N ATOM 280 CA LEU A 20 7.516 11.193 -0.407 1.00 0.00 C ATOM 281 C LEU A 20 8.910 10.623 -0.695 1.00 0.00 C ATOM 282 O LEU A 20 9.070 9.750 -1.549 1.00 0.00 O ATOM 283 CB LEU A 20 7.320 12.534 -1.161 1.00 0.00 C ATOM 284 CG LEU A 20 5.868 12.673 -1.663 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.923 12.889 -0.476 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.766 13.867 -2.616 1.00 0.00 C ATOM 0 H LEU A 20 7.306 12.362 1.328 1.00 0.00 H new ATOM 0 HA LEU A 20 6.774 10.476 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.562 13.367 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.008 12.586 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 20 5.585 11.761 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.900 12.986 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.989 12.037 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.208 13.797 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.739 13.964 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.056 14.777 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.430 13.711 -3.467 1.00 0.00 H new ATOM 298 N GLN A 21 9.909 11.132 0.012 1.00 0.00 N ATOM 299 CA GLN A 21 11.287 10.685 -0.180 1.00 0.00 C ATOM 300 C GLN A 21 11.396 9.157 -0.193 1.00 0.00 C ATOM 301 O GLN A 21 12.154 8.591 -0.982 1.00 0.00 O ATOM 302 CB GLN A 21 12.168 11.252 0.939 1.00 0.00 C ATOM 303 CG GLN A 21 11.434 11.136 2.275 1.00 0.00 C ATOM 304 CD GLN A 21 12.352 11.565 3.414 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.097 12.573 4.073 1.00 0.00 O ATOM 306 NE2 GLN A 21 13.413 10.855 3.687 1.00 0.00 N ATOM 0 H GLN A 21 9.794 11.854 0.723 1.00 0.00 H new ATOM 0 HA GLN A 21 11.625 11.051 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.112 10.710 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.409 12.295 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.540 11.759 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.104 10.109 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.623 10.020 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.032 11.135 4.447 1.00 0.00 H new ATOM 315 N ARG A 22 10.661 8.497 0.696 1.00 0.00 N ATOM 316 CA ARG A 22 10.711 7.035 0.794 1.00 0.00 C ATOM 317 C ARG A 22 9.750 6.364 -0.190 1.00 0.00 C ATOM 318 O ARG A 22 10.131 5.430 -0.896 1.00 0.00 O ATOM 319 CB ARG A 22 10.371 6.619 2.229 1.00 0.00 C ATOM 320 CG ARG A 22 11.518 7.036 3.182 1.00 0.00 C ATOM 321 CD ARG A 22 10.966 7.403 4.572 1.00 0.00 C ATOM 322 NE ARG A 22 11.950 7.073 5.598 1.00 0.00 N ATOM 323 CZ ARG A 22 13.128 7.687 5.647 1.00 0.00 C ATOM 324 NH1 ARG A 22 13.409 8.630 4.791 1.00 0.00 N ATOM 325 NH2 ARG A 22 14.001 7.350 6.555 1.00 0.00 N ATOM 0 H ARG A 22 10.026 8.944 1.357 1.00 0.00 H new ATOM 0 HA ARG A 22 11.718 6.708 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.438 7.087 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.219 5.541 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.235 6.220 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.055 7.887 2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.730 8.466 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.038 6.863 4.759 1.00 0.00 H new ATOM 0 HE ARG A 22 11.730 6.358 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.725 8.897 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.313 9.101 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.780 6.615 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.905 7.821 6.593 1.00 0.00 H new ATOM 339 N LEU A 23 8.508 6.837 -0.228 1.00 0.00 N ATOM 340 CA LEU A 23 7.497 6.271 -1.127 1.00 0.00 C ATOM 341 C LEU A 23 8.121 5.943 -2.492 1.00 0.00 C ATOM 342 O LEU A 23 8.939 6.705 -3.008 1.00 0.00 O ATOM 343 CB LEU A 23 6.326 7.281 -1.236 1.00 0.00 C ATOM 344 CG LEU A 23 5.551 7.202 -2.571 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.387 7.780 -3.744 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.089 5.750 -2.865 1.00 0.00 C ATOM 0 H LEU A 23 8.174 7.608 0.350 1.00 0.00 H new ATOM 0 HA LEU A 23 7.109 5.332 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.632 7.107 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.718 8.291 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 23 4.657 7.818 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.814 7.710 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.623 8.825 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.312 7.212 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.547 5.725 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.959 5.097 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.436 5.406 -2.063 1.00 0.00 H new ATOM 358 N GLU A 24 7.748 4.790 -3.057 1.00 0.00 N ATOM 359 CA GLU A 24 8.291 4.346 -4.351 1.00 0.00 C ATOM 360 C GLU A 24 7.255 4.485 -5.468 1.00 0.00 C ATOM 361 O GLU A 24 7.434 5.275 -6.394 1.00 0.00 O ATOM 362 CB GLU A 24 8.733 2.883 -4.246 1.00 0.00 C ATOM 363 CG GLU A 24 9.189 2.377 -5.618 1.00 0.00 C ATOM 364 CD GLU A 24 10.004 1.097 -5.459 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.576 0.235 -4.710 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.044 0.998 -6.089 1.00 0.00 O ATOM 0 H GLU A 24 7.074 4.147 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 24 9.144 4.979 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.546 2.790 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.910 2.271 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.322 2.189 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.788 3.140 -6.115 1.00 0.00 H new ATOM 373 N SER A 25 6.171 3.710 -5.376 1.00 0.00 N ATOM 374 CA SER A 25 5.110 3.752 -6.387 1.00 0.00 C ATOM 375 C SER A 25 3.753 3.445 -5.756 1.00 0.00 C ATOM 376 O SER A 25 3.609 3.481 -4.534 1.00 0.00 O ATOM 377 CB SER A 25 5.403 2.735 -7.491 1.00 0.00 C ATOM 378 OG SER A 25 4.598 3.029 -8.624 1.00 0.00 O ATOM 0 H SER A 25 6.005 3.049 -4.617 1.00 0.00 H new ATOM 0 HA SER A 25 5.080 4.755 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.458 2.768 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.197 1.725 -7.136 1.00 0.00 H new ATOM 0 HG SER A 25 4.081 2.234 -8.873 1.00 0.00 H new ATOM 384 N TYR A 26 2.757 3.141 -6.596 1.00 0.00 N ATOM 385 CA TYR A 26 1.411 2.828 -6.102 1.00 0.00 C ATOM 386 C TYR A 26 0.782 1.686 -6.909 1.00 0.00 C ATOM 387 O TYR A 26 1.260 1.342 -7.990 1.00 0.00 O ATOM 388 CB TYR A 26 0.520 4.078 -6.172 1.00 0.00 C ATOM 389 CG TYR A 26 0.120 4.356 -7.603 1.00 0.00 C ATOM 390 CD1 TYR A 26 -1.049 3.788 -8.121 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.916 5.181 -8.408 1.00 0.00 C ATOM 392 CE1 TYR A 26 -1.423 4.043 -9.446 1.00 0.00 C ATOM 393 CE2 TYR A 26 0.542 5.436 -9.732 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.628 4.868 -10.251 1.00 0.00 C ATOM 395 OH TYR A 26 -0.997 5.120 -11.556 1.00 0.00 O ATOM 0 H TYR A 26 2.855 3.105 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 26 1.494 2.506 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.370 3.933 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.053 4.936 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.663 3.153 -7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.818 5.620 -8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.324 3.604 -9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.156 6.071 -10.354 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.337 5.712 -11.974 1.00 0.00 H new ATOM 405 N ARG A 27 -0.293 1.106 -6.373 1.00 0.00 N ATOM 406 CA ARG A 27 -0.980 0.003 -7.050 1.00 0.00 C ATOM 407 C ARG A 27 -2.320 -0.299 -6.377 1.00 0.00 C ATOM 408 O ARG A 27 -2.442 -0.218 -5.157 1.00 0.00 O ATOM 409 CB ARG A 27 -0.108 -1.258 -7.020 1.00 0.00 C ATOM 410 CG ARG A 27 -0.674 -2.325 -7.992 1.00 0.00 C ATOM 411 CD ARG A 27 -0.567 -3.721 -7.369 1.00 0.00 C ATOM 412 NE ARG A 27 0.789 -3.959 -6.891 1.00 0.00 N ATOM 413 CZ ARG A 27 1.790 -4.176 -7.739 1.00 0.00 C ATOM 414 NH1 ARG A 27 1.566 -4.179 -9.024 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.996 -4.385 -7.286 1.00 0.00 N ATOM 0 H ARG A 27 -0.705 1.378 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.161 0.302 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.915 -1.008 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.073 -1.660 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.716 -2.101 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.126 -2.296 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.272 -3.813 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.838 -4.477 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 27 0.974 -3.959 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.623 -4.015 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.333 -4.345 -9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.171 -4.382 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.764 -4.551 -7.937 1.00 0.00 H new ATOM 429 N ARG A 28 -3.321 -0.654 -7.180 1.00 0.00 N ATOM 430 CA ARG A 28 -4.647 -0.967 -6.645 1.00 0.00 C ATOM 431 C ARG A 28 -4.683 -2.391 -6.079 1.00 0.00 C ATOM 432 O ARG A 28 -3.855 -3.232 -6.430 1.00 0.00 O ATOM 433 CB ARG A 28 -5.706 -0.808 -7.757 1.00 0.00 C ATOM 434 CG ARG A 28 -6.288 0.613 -7.739 1.00 0.00 C ATOM 435 CD ARG A 28 -7.020 0.886 -9.054 1.00 0.00 C ATOM 436 NE ARG A 28 -7.502 2.262 -9.088 1.00 0.00 N ATOM 437 CZ ARG A 28 -8.448 2.639 -9.941 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.961 1.772 -10.771 1.00 0.00 N ATOM 439 NH2 ARG A 28 -8.863 3.876 -9.951 1.00 0.00 N ATOM 0 H ARG A 28 -3.242 -0.732 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.869 -0.274 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.256 -1.012 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.504 -1.537 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.974 0.725 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.490 1.342 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.350 0.707 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.858 0.197 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.105 2.947 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.635 0.805 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.687 2.061 -11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.461 4.554 -9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.589 4.165 -10.606 1.00 0.00 H new ATOM 453 N ILE A 29 -5.656 -2.648 -5.197 1.00 0.00 N ATOM 454 CA ILE A 29 -5.808 -3.970 -4.576 1.00 0.00 C ATOM 455 C ILE A 29 -6.852 -4.790 -5.340 1.00 0.00 C ATOM 456 O ILE A 29 -6.507 -5.705 -6.088 1.00 0.00 O ATOM 457 CB ILE A 29 -6.219 -3.820 -3.083 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.789 -2.428 -2.583 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.547 -4.916 -2.242 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.887 -2.326 -1.055 1.00 0.00 C ATOM 0 H ILE A 29 -6.348 -1.961 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.853 -4.493 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.300 -3.923 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.765 -2.227 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.418 -1.665 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.840 -4.804 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.860 -5.895 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.464 -4.827 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.576 -1.331 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.917 -2.502 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.238 -3.073 -0.598 1.00 0.00 H new ATOM 472 N THR A 30 -8.126 -4.448 -5.148 1.00 0.00 N ATOM 473 CA THR A 30 -9.218 -5.149 -5.824 1.00 0.00 C ATOM 474 C THR A 30 -8.939 -6.648 -5.916 1.00 0.00 C ATOM 475 O THR A 30 -8.561 -7.156 -6.972 1.00 0.00 O ATOM 476 CB THR A 30 -9.414 -4.574 -7.230 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.403 -5.079 -8.092 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.327 -3.048 -7.177 1.00 0.00 C ATOM 0 H THR A 30 -8.427 -3.693 -4.532 1.00 0.00 H new ATOM 0 HA THR A 30 -10.126 -5.005 -5.239 1.00 0.00 H new ATOM 0 HB THR A 30 -10.394 -4.866 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.552 -6.035 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.467 -2.641 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.104 -2.662 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.349 -2.752 -6.798 1.00 0.00 H new ATOM 486 N SER A 31 -9.128 -7.351 -4.804 1.00 0.00 N ATOM 487 CA SER A 31 -8.893 -8.791 -4.775 1.00 0.00 C ATOM 488 C SER A 31 -9.563 -9.419 -3.555 1.00 0.00 C ATOM 489 O SER A 31 -9.052 -9.329 -2.440 1.00 0.00 O ATOM 490 CB SER A 31 -7.391 -9.073 -4.735 1.00 0.00 C ATOM 491 OG SER A 31 -6.824 -8.438 -3.598 1.00 0.00 O ATOM 0 H SER A 31 -9.440 -6.952 -3.919 1.00 0.00 H new ATOM 0 HA SER A 31 -9.321 -9.229 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.212 -10.147 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.916 -8.706 -5.645 1.00 0.00 H new ATOM 0 HG SER A 31 -7.431 -8.532 -2.834 1.00 0.00 H new ATOM 497 N GLY A 32 -10.709 -10.055 -3.779 1.00 0.00 N ATOM 498 CA GLY A 32 -11.441 -10.696 -2.691 1.00 0.00 C ATOM 499 C GLY A 32 -11.498 -9.792 -1.465 1.00 0.00 C ATOM 500 O GLY A 32 -12.301 -8.861 -1.406 1.00 0.00 O ATOM 0 H GLY A 32 -11.148 -10.140 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.453 -10.934 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.960 -11.639 -2.430 1.00 0.00 H new ATOM 504 N LYS A 33 -10.641 -10.070 -0.489 1.00 0.00 N ATOM 505 CA LYS A 33 -10.602 -9.273 0.731 1.00 0.00 C ATOM 506 C LYS A 33 -10.290 -7.816 0.406 1.00 0.00 C ATOM 507 O LYS A 33 -10.569 -7.344 -0.697 1.00 0.00 O ATOM 508 CB LYS A 33 -9.539 -9.825 1.683 1.00 0.00 C ATOM 509 CG LYS A 33 -9.740 -11.332 1.855 1.00 0.00 C ATOM 510 CD LYS A 33 -8.643 -11.893 2.762 1.00 0.00 C ATOM 511 CE LYS A 33 -8.866 -13.393 2.965 1.00 0.00 C ATOM 512 NZ LYS A 33 -8.668 -14.105 1.672 1.00 0.00 N ATOM 0 H LYS A 33 -9.968 -10.836 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.580 -9.327 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.543 -9.623 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.607 -9.326 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.721 -11.532 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.712 -11.827 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.663 -11.717 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.653 -11.380 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.172 -13.776 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.873 -13.574 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.533 -15.120 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.504 -13.969 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.828 -13.724 1.191 1.00 0.00 H new ATOM 526 N CYS A 34 -9.711 -7.109 1.370 1.00 0.00 N ATOM 527 CA CYS A 34 -9.367 -5.707 1.171 1.00 0.00 C ATOM 528 C CYS A 34 -10.627 -4.891 0.860 1.00 0.00 C ATOM 529 O CYS A 34 -11.561 -5.409 0.247 1.00 0.00 O ATOM 530 CB CYS A 34 -8.369 -5.585 0.017 1.00 0.00 C ATOM 531 SG CYS A 34 -7.111 -6.877 0.177 1.00 0.00 S ATOM 0 H CYS A 34 -9.472 -7.480 2.290 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.915 -5.318 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.886 -5.681 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.900 -4.601 0.029 1.00 0.00 H new ATOM 536 N PRO A 35 -10.684 -3.642 1.264 1.00 0.00 N ATOM 537 CA PRO A 35 -11.876 -2.777 1.005 1.00 0.00 C ATOM 538 C PRO A 35 -11.973 -2.362 -0.463 1.00 0.00 C ATOM 539 O PRO A 35 -11.248 -2.878 -1.313 1.00 0.00 O ATOM 540 CB PRO A 35 -11.641 -1.563 1.916 1.00 0.00 C ATOM 541 CG PRO A 35 -10.155 -1.467 2.038 1.00 0.00 C ATOM 542 CD PRO A 35 -9.637 -2.908 2.004 1.00 0.00 C ATOM 0 HA PRO A 35 -12.816 -3.289 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.063 -0.655 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.111 -1.701 2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.733 -0.881 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.870 -0.971 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.672 -2.974 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.502 -3.308 3.009 1.00 0.00 H new ATOM 550 N GLN A 36 -12.874 -1.427 -0.747 1.00 0.00 N ATOM 551 CA GLN A 36 -13.059 -0.946 -2.111 1.00 0.00 C ATOM 552 C GLN A 36 -11.711 -0.669 -2.770 1.00 0.00 C ATOM 553 O GLN A 36 -10.672 -0.696 -2.110 1.00 0.00 O ATOM 554 CB GLN A 36 -13.895 0.335 -2.102 1.00 0.00 C ATOM 555 CG GLN A 36 -13.299 1.328 -1.101 1.00 0.00 C ATOM 556 CD GLN A 36 -13.929 2.703 -1.295 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.232 3.665 -1.621 1.00 0.00 O ATOM 558 NE2 GLN A 36 -15.212 2.855 -1.112 1.00 0.00 N ATOM 0 H GLN A 36 -13.484 -0.990 -0.056 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.578 -1.717 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.915 0.775 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.926 0.107 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.472 0.979 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.219 1.391 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.787 2.057 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.640 3.772 -1.239 1.00 0.00 H new ATOM 567 N LYS A 37 -11.735 -0.394 -4.070 1.00 0.00 N ATOM 568 CA LYS A 37 -10.503 -0.106 -4.796 1.00 0.00 C ATOM 569 C LYS A 37 -9.702 0.956 -4.043 1.00 0.00 C ATOM 570 O LYS A 37 -10.229 2.011 -3.691 1.00 0.00 O ATOM 571 CB LYS A 37 -10.814 0.370 -6.243 1.00 0.00 C ATOM 572 CG LYS A 37 -12.273 0.856 -6.351 1.00 0.00 C ATOM 573 CD LYS A 37 -13.218 -0.341 -6.591 1.00 0.00 C ATOM 574 CE LYS A 37 -13.327 -0.635 -8.092 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.290 -1.752 -8.311 1.00 0.00 N ATOM 0 H LYS A 37 -12.583 -0.364 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.911 -1.019 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.135 1.176 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.644 -0.446 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.559 1.377 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.366 1.571 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.844 -1.220 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.205 -0.123 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.660 0.256 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.349 -0.900 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.364 -1.952 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.954 -2.602 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.224 -1.482 -7.942 1.00 0.00 H new ATOM 589 N ALA A 38 -8.427 0.662 -3.793 1.00 0.00 N ATOM 590 CA ALA A 38 -7.560 1.592 -3.072 1.00 0.00 C ATOM 591 C ALA A 38 -6.114 1.441 -3.544 1.00 0.00 C ATOM 592 O ALA A 38 -5.629 0.331 -3.731 1.00 0.00 O ATOM 593 CB ALA A 38 -7.665 1.320 -1.559 1.00 0.00 C ATOM 0 H ALA A 38 -7.974 -0.207 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.879 2.614 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.019 2.012 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.697 1.458 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.354 0.296 -1.351 1.00 0.00 H new ATOM 599 N VAL A 39 -5.426 2.561 -3.731 1.00 0.00 N ATOM 600 CA VAL A 39 -4.039 2.515 -4.180 1.00 0.00 C ATOM 601 C VAL A 39 -3.115 2.210 -3.003 1.00 0.00 C ATOM 602 O VAL A 39 -3.303 2.727 -1.901 1.00 0.00 O ATOM 603 CB VAL A 39 -3.654 3.845 -4.825 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.694 4.216 -5.885 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.603 4.938 -3.758 1.00 0.00 C ATOM 0 H VAL A 39 -5.798 3.499 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.933 1.722 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.674 3.750 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.421 5.165 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.729 3.438 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.674 4.309 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.328 5.886 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.582 5.034 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.863 4.675 -3.003 1.00 0.00 H new ATOM 615 N ILE A 40 -2.127 1.349 -3.243 1.00 0.00 N ATOM 616 CA ILE A 40 -1.177 0.944 -2.202 1.00 0.00 C ATOM 617 C ILE A 40 0.183 1.598 -2.422 1.00 0.00 C ATOM 618 O ILE A 40 0.947 1.167 -3.283 1.00 0.00 O ATOM 619 CB ILE A 40 -1.022 -0.588 -2.230 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.267 -1.239 -1.624 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.212 -1.026 -1.428 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.256 -2.741 -1.924 1.00 0.00 C ATOM 0 H ILE A 40 -1.961 0.916 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.560 1.266 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.899 -0.902 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.290 -1.073 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.167 -0.782 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.301 -2.112 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.105 -0.575 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.106 -0.703 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.143 -3.205 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.254 -2.897 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.363 -3.192 -1.491 1.00 0.00 H new ATOM 634 N PHE A 41 0.499 2.614 -1.623 1.00 0.00 N ATOM 635 CA PHE A 41 1.792 3.275 -1.748 1.00 0.00 C ATOM 636 C PHE A 41 2.862 2.424 -1.076 1.00 0.00 C ATOM 637 O PHE A 41 2.800 2.169 0.126 1.00 0.00 O ATOM 638 CB PHE A 41 1.750 4.656 -1.085 1.00 0.00 C ATOM 639 CG PHE A 41 0.726 5.521 -1.780 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.924 5.921 -3.111 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.416 5.934 -1.092 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.024 6.733 -3.746 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.357 6.742 -1.722 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.164 7.145 -3.050 1.00 0.00 C ATOM 0 H PHE A 41 -0.110 2.991 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 41 2.026 3.397 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.500 4.556 -0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.732 5.125 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.807 5.603 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.569 5.626 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.125 7.040 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.239 7.060 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.896 7.774 -3.536 1.00 0.00 H new ATOM 654 N LYS A 42 3.842 1.986 -1.861 1.00 0.00 N ATOM 655 CA LYS A 42 4.929 1.158 -1.339 1.00 0.00 C ATOM 656 C LYS A 42 6.185 1.998 -1.170 1.00 0.00 C ATOM 657 O LYS A 42 6.542 2.775 -2.053 1.00 0.00 O ATOM 658 CB LYS A 42 5.207 -0.002 -2.297 1.00 0.00 C ATOM 659 CG LYS A 42 5.175 0.505 -3.742 1.00 0.00 C ATOM 660 CD LYS A 42 5.821 -0.531 -4.669 1.00 0.00 C ATOM 661 CE LYS A 42 5.208 -1.914 -4.419 1.00 0.00 C ATOM 662 NZ LYS A 42 5.853 -2.534 -3.227 1.00 0.00 N ATOM 0 H LYS A 42 3.907 2.189 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 42 4.635 0.757 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.179 -0.443 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.463 -0.786 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.146 0.690 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.706 1.454 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.674 -0.242 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.897 -0.565 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.134 -1.824 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.348 -2.549 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.145 -3.505 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.688 -1.977 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.177 -2.553 -2.437 1.00 0.00 H new ATOM 676 N THR A 43 6.848 1.841 -0.028 1.00 0.00 N ATOM 677 CA THR A 43 8.069 2.596 0.262 1.00 0.00 C ATOM 678 C THR A 43 9.245 1.639 0.458 1.00 0.00 C ATOM 679 O THR A 43 9.091 0.423 0.349 1.00 0.00 O ATOM 680 CB THR A 43 7.870 3.443 1.531 1.00 0.00 C ATOM 681 OG1 THR A 43 8.353 2.725 2.652 1.00 0.00 O ATOM 682 CG2 THR A 43 6.384 3.752 1.737 1.00 0.00 C ATOM 0 H THR A 43 6.563 1.200 0.712 1.00 0.00 H new ATOM 0 HA THR A 43 8.285 3.255 -0.579 1.00 0.00 H new ATOM 0 HB THR A 43 8.417 4.379 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.843 2.981 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.259 4.352 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.005 4.305 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.830 2.819 1.842 1.00 0.00 H new ATOM 690 N LYS A 44 10.419 2.197 0.741 1.00 0.00 N ATOM 691 CA LYS A 44 11.616 1.382 0.942 1.00 0.00 C ATOM 692 C LYS A 44 11.656 0.816 2.359 1.00 0.00 C ATOM 693 O LYS A 44 12.530 0.016 2.692 1.00 0.00 O ATOM 694 CB LYS A 44 12.867 2.227 0.696 1.00 0.00 C ATOM 695 CG LYS A 44 12.775 2.886 -0.683 1.00 0.00 C ATOM 696 CD LYS A 44 13.967 3.824 -0.881 1.00 0.00 C ATOM 697 CE LYS A 44 13.901 4.448 -2.275 1.00 0.00 C ATOM 698 NZ LYS A 44 12.713 5.344 -2.363 1.00 0.00 N ATOM 0 H LYS A 44 10.568 3.202 0.836 1.00 0.00 H new ATOM 0 HA LYS A 44 11.588 0.553 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.962 2.989 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.758 1.602 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.765 2.124 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.842 3.443 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.958 4.605 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.900 3.273 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.811 5.013 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.837 3.667 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.048 4.970 -3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.243 5.390 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.018 6.298 -2.644 1.00 0.00 H new ATOM 712 N LEU A 45 10.709 1.237 3.190 1.00 0.00 N ATOM 713 CA LEU A 45 10.650 0.765 4.570 1.00 0.00 C ATOM 714 C LEU A 45 10.757 -0.761 4.606 1.00 0.00 C ATOM 715 O LEU A 45 11.855 -1.313 4.550 1.00 0.00 O ATOM 716 CB LEU A 45 9.330 1.228 5.228 1.00 0.00 C ATOM 717 CG LEU A 45 9.473 2.618 5.894 1.00 0.00 C ATOM 718 CD1 LEU A 45 10.119 2.482 7.278 1.00 0.00 C ATOM 719 CD2 LEU A 45 10.314 3.574 5.028 1.00 0.00 C ATOM 0 H LEU A 45 9.976 1.899 2.936 1.00 0.00 H new ATOM 0 HA LEU A 45 11.486 1.186 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.543 1.266 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.021 0.497 5.976 1.00 0.00 H new ATOM 0 HG LEU A 45 8.472 3.037 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.213 3.468 7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.497 1.848 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.107 2.034 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.394 4.540 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.310 3.155 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.834 3.704 4.058 1.00 0.00 H new ATOM 731 N ALA A 46 9.615 -1.437 4.701 1.00 0.00 N ATOM 732 CA ALA A 46 9.612 -2.895 4.748 1.00 0.00 C ATOM 733 C ALA A 46 8.190 -3.445 4.654 1.00 0.00 C ATOM 734 O ALA A 46 7.970 -4.645 4.817 1.00 0.00 O ATOM 735 CB ALA A 46 10.260 -3.373 6.049 1.00 0.00 C ATOM 0 H ALA A 46 8.692 -1.005 4.746 1.00 0.00 H new ATOM 0 HA ALA A 46 10.182 -3.264 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.255 -4.463 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.288 -3.013 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.699 -2.984 6.899 1.00 0.00 H new ATOM 741 N LYS A 47 7.226 -2.564 4.389 1.00 0.00 N ATOM 742 CA LYS A 47 5.829 -2.984 4.276 1.00 0.00 C ATOM 743 C LYS A 47 5.050 -2.044 3.356 1.00 0.00 C ATOM 744 O LYS A 47 5.498 -0.937 3.057 1.00 0.00 O ATOM 745 CB LYS A 47 5.175 -3.056 5.676 1.00 0.00 C ATOM 746 CG LYS A 47 4.700 -1.673 6.167 1.00 0.00 C ATOM 747 CD LYS A 47 5.872 -0.685 6.230 1.00 0.00 C ATOM 748 CE LYS A 47 6.959 -1.207 7.183 1.00 0.00 C ATOM 749 NZ LYS A 47 6.329 -1.918 8.332 1.00 0.00 N ATOM 0 H LYS A 47 7.383 -1.566 4.250 1.00 0.00 H new ATOM 0 HA LYS A 47 5.803 -3.980 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.327 -3.740 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.890 -3.467 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.930 -1.289 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.246 -1.769 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.290 -0.542 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.518 0.288 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.629 -1.882 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.565 -0.377 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.031 -2.044 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.529 -1.358 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.987 -2.849 8.019 1.00 0.00 H new ATOM 763 N ASP A 48 3.879 -2.500 2.911 1.00 0.00 N ATOM 764 CA ASP A 48 3.031 -1.707 2.021 1.00 0.00 C ATOM 765 C ASP A 48 1.976 -0.941 2.820 1.00 0.00 C ATOM 766 O ASP A 48 1.547 -1.387 3.884 1.00 0.00 O ATOM 767 CB ASP A 48 2.344 -2.629 1.010 1.00 0.00 C ATOM 768 CG ASP A 48 3.324 -3.695 0.531 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.514 -3.425 0.539 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.870 -4.765 0.161 1.00 0.00 O ATOM 0 H ASP A 48 3.496 -3.414 3.152 1.00 0.00 H new ATOM 0 HA ASP A 48 3.657 -0.987 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.474 -3.101 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.982 -2.048 0.162 1.00 0.00 H new ATOM 775 N ILE A 49 1.566 0.216 2.298 1.00 0.00 N ATOM 776 CA ILE A 49 0.559 1.055 2.963 1.00 0.00 C ATOM 777 C ILE A 49 -0.719 1.119 2.126 1.00 0.00 C ATOM 778 O ILE A 49 -0.663 1.147 0.902 1.00 0.00 O ATOM 779 CB ILE A 49 1.117 2.469 3.141 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.552 2.396 3.691 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.225 3.264 4.098 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.590 1.651 5.033 1.00 0.00 C ATOM 0 H ILE A 49 1.913 0.596 1.418 1.00 0.00 H new ATOM 0 HA ILE A 49 0.324 0.621 3.935 1.00 0.00 H new ATOM 0 HB ILE A 49 1.133 2.973 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.196 1.890 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.948 3.403 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.628 4.269 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.784 3.324 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.195 2.765 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.616 1.614 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.965 2.173 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.216 0.636 4.896 1.00 0.00 H new ATOM 794 N CYS A 50 -1.872 1.143 2.797 1.00 0.00 N ATOM 795 CA CYS A 50 -3.169 1.199 2.107 1.00 0.00 C ATOM 796 C CYS A 50 -3.732 2.620 2.122 1.00 0.00 C ATOM 797 O CYS A 50 -3.467 3.392 3.043 1.00 0.00 O ATOM 798 CB CYS A 50 -4.158 0.267 2.805 1.00 0.00 C ATOM 799 SG CYS A 50 -3.463 -1.402 2.885 1.00 0.00 S ATOM 0 H CYS A 50 -1.938 1.125 3.815 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.022 0.888 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.371 0.632 3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.104 0.253 2.264 1.00 0.00 H new ATOM 804 N ALA A 51 -4.516 2.956 1.096 1.00 0.00 N ATOM 805 CA ALA A 51 -5.118 4.288 1.003 1.00 0.00 C ATOM 806 C ALA A 51 -6.084 4.360 -0.183 1.00 0.00 C ATOM 807 O ALA A 51 -5.821 3.789 -1.240 1.00 0.00 O ATOM 808 CB ALA A 51 -4.021 5.352 0.857 1.00 0.00 C ATOM 0 H ALA A 51 -4.748 2.331 0.324 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.679 4.480 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.478 6.339 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.362 5.317 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.443 5.157 -0.046 1.00 0.00 H new ATOM 814 N ASP A 52 -7.209 5.061 0.002 1.00 0.00 N ATOM 815 CA ASP A 52 -8.220 5.194 -1.058 1.00 0.00 C ATOM 816 C ASP A 52 -8.080 6.537 -1.794 1.00 0.00 C ATOM 817 O ASP A 52 -7.729 7.545 -1.182 1.00 0.00 O ATOM 818 CB ASP A 52 -9.624 5.106 -0.436 1.00 0.00 C ATOM 819 CG ASP A 52 -10.026 3.649 -0.224 1.00 0.00 C ATOM 820 OD1 ASP A 52 -9.841 2.866 -1.139 1.00 0.00 O ATOM 821 OD2 ASP A 52 -10.520 3.341 0.848 1.00 0.00 O ATOM 0 H ASP A 52 -7.443 5.543 0.870 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.071 4.388 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.640 5.636 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.347 5.598 -1.086 1.00 0.00 H new ATOM 826 N PRO A 53 -8.367 6.575 -3.083 1.00 0.00 N ATOM 827 CA PRO A 53 -8.282 7.833 -3.889 1.00 0.00 C ATOM 828 C PRO A 53 -9.357 8.836 -3.482 1.00 0.00 C ATOM 829 O PRO A 53 -10.300 9.097 -4.228 1.00 0.00 O ATOM 830 CB PRO A 53 -8.471 7.353 -5.338 1.00 0.00 C ATOM 831 CG PRO A 53 -9.248 6.083 -5.223 1.00 0.00 C ATOM 832 CD PRO A 53 -8.801 5.436 -3.913 1.00 0.00 C ATOM 0 HA PRO A 53 -7.340 8.361 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.008 8.092 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.511 7.186 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.320 6.280 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.051 5.426 -6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.615 4.886 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.989 4.727 -4.075 1.00 0.00 H new ATOM 840 N LYS A 54 -9.196 9.400 -2.290 1.00 0.00 N ATOM 841 CA LYS A 54 -10.141 10.383 -1.775 1.00 0.00 C ATOM 842 C LYS A 54 -9.421 11.371 -0.872 1.00 0.00 C ATOM 843 O LYS A 54 -9.609 12.582 -0.990 1.00 0.00 O ATOM 844 CB LYS A 54 -11.255 9.684 -0.991 1.00 0.00 C ATOM 845 CG LYS A 54 -11.966 8.678 -1.900 1.00 0.00 C ATOM 846 CD LYS A 54 -13.251 8.198 -1.224 1.00 0.00 C ATOM 847 CE LYS A 54 -13.917 7.130 -2.095 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.959 6.421 -1.300 1.00 0.00 N ATOM 0 H LYS A 54 -8.419 9.193 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.581 10.920 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.838 9.174 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.968 10.419 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.198 9.140 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.312 7.831 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.026 7.790 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.931 9.037 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.366 7.591 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.171 6.420 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.412 5.695 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.518 5.969 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.675 7.103 -0.980 1.00 0.00 H new ATOM 862 N LYS A 55 -8.581 10.855 0.020 1.00 0.00 N ATOM 863 CA LYS A 55 -7.834 11.725 0.914 1.00 0.00 C ATOM 864 C LYS A 55 -6.844 12.543 0.076 1.00 0.00 C ATOM 865 O LYS A 55 -6.290 12.047 -0.906 1.00 0.00 O ATOM 866 CB LYS A 55 -7.112 10.913 2.026 1.00 0.00 C ATOM 867 CG LYS A 55 -7.615 9.448 2.048 1.00 0.00 C ATOM 868 CD LYS A 55 -7.321 8.789 3.412 1.00 0.00 C ATOM 869 CE LYS A 55 -5.824 8.445 3.555 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.386 8.741 4.948 1.00 0.00 N ATOM 0 H LYS A 55 -8.404 9.858 0.140 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.519 12.400 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.036 10.931 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.289 11.378 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.687 9.424 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.131 8.881 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.621 9.462 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.917 7.882 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.656 7.393 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.235 9.025 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.347 8.741 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.745 9.674 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.760 8.015 5.591 1.00 0.00 H new ATOM 884 N LYS A 56 -6.671 13.804 0.440 1.00 0.00 N ATOM 885 CA LYS A 56 -5.798 14.708 -0.308 1.00 0.00 C ATOM 886 C LYS A 56 -4.440 14.096 -0.659 1.00 0.00 C ATOM 887 O LYS A 56 -4.052 14.088 -1.827 1.00 0.00 O ATOM 888 CB LYS A 56 -5.575 15.995 0.491 1.00 0.00 C ATOM 889 CG LYS A 56 -5.018 17.088 -0.431 1.00 0.00 C ATOM 890 CD LYS A 56 -4.372 18.193 0.408 1.00 0.00 C ATOM 891 CE LYS A 56 -5.421 18.810 1.335 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.894 20.086 1.900 1.00 0.00 N ATOM 0 H LYS A 56 -7.123 14.229 1.250 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.308 14.916 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.514 16.325 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.881 15.809 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.284 16.661 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.819 17.504 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.549 17.785 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.951 18.959 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.343 18.997 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.664 18.116 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.606 20.507 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.025 19.895 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.683 20.748 1.126 1.00 0.00 H new ATOM 906 N TRP A 57 -3.695 13.629 0.339 1.00 0.00 N ATOM 907 CA TRP A 57 -2.366 13.084 0.064 1.00 0.00 C ATOM 908 C TRP A 57 -2.408 11.962 -0.960 1.00 0.00 C ATOM 909 O TRP A 57 -1.548 11.888 -1.836 1.00 0.00 O ATOM 910 CB TRP A 57 -1.697 12.563 1.338 1.00 0.00 C ATOM 911 CG TRP A 57 -0.259 12.289 1.036 1.00 0.00 C ATOM 912 CD1 TRP A 57 0.672 13.250 0.875 1.00 0.00 C ATOM 913 CD2 TRP A 57 0.426 11.012 0.823 1.00 0.00 C ATOM 914 NE1 TRP A 57 1.889 12.656 0.613 1.00 0.00 N ATOM 915 CE2 TRP A 57 1.791 11.281 0.560 1.00 0.00 C ATOM 916 CE3 TRP A 57 0.015 9.661 0.837 1.00 0.00 C ATOM 917 CZ2 TRP A 57 2.707 10.257 0.319 1.00 0.00 C ATOM 918 CZ3 TRP A 57 0.937 8.633 0.594 1.00 0.00 C ATOM 919 CH2 TRP A 57 2.279 8.932 0.335 1.00 0.00 C ATOM 0 H TRP A 57 -3.976 13.615 1.319 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.782 13.910 -0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -1.783 13.297 2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -2.192 11.655 1.683 1.00 0.00 H new ATOM 0 HD1 TRP A 57 0.494 14.313 0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 57 2.758 13.172 0.475 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.018 9.418 1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.743 10.491 0.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.609 7.604 0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.983 8.135 0.147 1.00 0.00 H new ATOM 930 N VAL A 58 -3.386 11.077 -0.849 1.00 0.00 N ATOM 931 CA VAL A 58 -3.473 9.965 -1.782 1.00 0.00 C ATOM 932 C VAL A 58 -3.426 10.456 -3.219 1.00 0.00 C ATOM 933 O VAL A 58 -2.600 10.004 -4.003 1.00 0.00 O ATOM 934 CB VAL A 58 -4.768 9.185 -1.555 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.876 8.054 -2.583 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.760 8.596 -0.144 1.00 0.00 C ATOM 0 H VAL A 58 -4.117 11.104 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.618 9.312 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.621 9.854 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.800 7.500 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.879 8.475 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.025 7.381 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.682 8.039 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.906 7.927 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.686 9.402 0.586 1.00 0.00 H new ATOM 946 N GLN A 59 -4.321 11.372 -3.559 1.00 0.00 N ATOM 947 CA GLN A 59 -4.379 11.902 -4.916 1.00 0.00 C ATOM 948 C GLN A 59 -3.094 12.656 -5.273 1.00 0.00 C ATOM 949 O GLN A 59 -2.668 12.662 -6.428 1.00 0.00 O ATOM 950 CB GLN A 59 -5.600 12.832 -5.062 1.00 0.00 C ATOM 951 CG GLN A 59 -6.733 12.367 -4.127 1.00 0.00 C ATOM 952 CD GLN A 59 -8.083 12.862 -4.644 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.372 14.057 -4.582 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.929 12.009 -5.152 1.00 0.00 N ATOM 0 H GLN A 59 -5.013 11.762 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.478 11.064 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.317 13.857 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.947 12.831 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.737 11.279 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.561 12.745 -3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.687 11.019 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.832 12.332 -5.499 1.00 0.00 H new ATOM 963 N ASP A 60 -2.496 13.300 -4.279 1.00 0.00 N ATOM 964 CA ASP A 60 -1.274 14.073 -4.497 1.00 0.00 C ATOM 965 C ASP A 60 -0.056 13.172 -4.700 1.00 0.00 C ATOM 966 O ASP A 60 0.795 13.446 -5.547 1.00 0.00 O ATOM 967 CB ASP A 60 -1.023 14.976 -3.288 1.00 0.00 C ATOM 968 CG ASP A 60 0.002 16.049 -3.641 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.291 16.858 -4.506 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.063 16.046 -3.041 1.00 0.00 O ATOM 0 H ASP A 60 -2.833 13.304 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.414 14.665 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.956 15.443 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.664 14.381 -2.448 1.00 0.00 H new ATOM 975 N SER A 61 0.041 12.122 -3.894 1.00 0.00 N ATOM 976 CA SER A 61 1.182 11.213 -3.965 1.00 0.00 C ATOM 977 C SER A 61 1.359 10.609 -5.359 1.00 0.00 C ATOM 978 O SER A 61 2.452 10.662 -5.923 1.00 0.00 O ATOM 979 CB SER A 61 1.007 10.095 -2.941 1.00 0.00 C ATOM 980 OG SER A 61 0.456 10.636 -1.751 1.00 0.00 O ATOM 0 H SER A 61 -0.652 11.878 -3.186 1.00 0.00 H new ATOM 0 HA SER A 61 2.078 11.793 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.353 9.320 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.967 9.625 -2.730 1.00 0.00 H new ATOM 0 HG SER A 61 0.926 10.266 -0.975 1.00 0.00 H new ATOM 986 N MET A 62 0.296 10.029 -5.914 1.00 0.00 N ATOM 987 CA MET A 62 0.398 9.424 -7.241 1.00 0.00 C ATOM 988 C MET A 62 0.684 10.495 -8.289 1.00 0.00 C ATOM 989 O MET A 62 1.442 10.267 -9.232 1.00 0.00 O ATOM 990 CB MET A 62 -0.887 8.667 -7.602 1.00 0.00 C ATOM 991 CG MET A 62 -2.109 9.500 -7.224 1.00 0.00 C ATOM 992 SD MET A 62 -3.549 8.916 -8.154 1.00 0.00 S ATOM 993 CE MET A 62 -4.151 7.727 -6.928 1.00 0.00 C ATOM 0 H MET A 62 -0.624 9.965 -5.479 1.00 0.00 H new ATOM 0 HA MET A 62 1.222 8.711 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.902 8.449 -8.670 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.914 7.710 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.298 9.422 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.926 10.553 -7.440 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.940 7.117 -7.369 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.330 7.084 -6.611 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.546 8.263 -6.065 1.00 0.00 H new ATOM 1003 N LYS A 63 0.084 11.669 -8.111 1.00 0.00 N ATOM 1004 CA LYS A 63 0.298 12.768 -9.043 1.00 0.00 C ATOM 1005 C LYS A 63 1.774 13.144 -9.049 1.00 0.00 C ATOM 1006 O LYS A 63 2.363 13.399 -10.099 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.555 13.975 -8.631 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.215 15.198 -9.498 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.330 14.840 -10.987 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.488 16.118 -11.816 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.747 16.812 -11.422 1.00 0.00 N ATOM 0 H LYS A 63 -0.547 11.881 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 63 0.003 12.459 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.613 13.732 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.382 14.208 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.890 16.020 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.795 15.541 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.557 14.294 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.185 14.183 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.367 16.775 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.511 15.875 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.306 17.027 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.299 16.197 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.515 17.697 -10.927 1.00 0.00 H new ATOM 1025 N TYR A 64 2.368 13.156 -7.859 1.00 0.00 N ATOM 1026 CA TYR A 64 3.781 13.480 -7.720 1.00 0.00 C ATOM 1027 C TYR A 64 4.614 12.428 -8.454 1.00 0.00 C ATOM 1028 O TYR A 64 5.651 12.737 -9.041 1.00 0.00 O ATOM 1029 CB TYR A 64 4.133 13.548 -6.208 1.00 0.00 C ATOM 1030 CG TYR A 64 5.477 12.906 -5.908 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.621 13.325 -6.599 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.576 11.895 -4.941 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.861 12.734 -6.324 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.815 11.305 -4.668 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.957 11.724 -5.359 1.00 0.00 C ATOM 1036 OH TYR A 64 9.179 11.142 -5.089 1.00 0.00 O ATOM 0 H TYR A 64 1.893 12.946 -6.981 1.00 0.00 H new ATOM 0 HA TYR A 64 4.004 14.450 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.148 14.589 -5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.355 13.047 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.547 14.104 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.695 11.572 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.743 13.058 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.890 10.526 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 64 9.070 10.460 -4.393 1.00 0.00 H new ATOM 1046 N LEU A 65 4.143 11.187 -8.418 1.00 0.00 N ATOM 1047 CA LEU A 65 4.838 10.093 -9.084 1.00 0.00 C ATOM 1048 C LEU A 65 4.640 10.183 -10.594 1.00 0.00 C ATOM 1049 O LEU A 65 5.402 9.602 -11.368 1.00 0.00 O ATOM 1050 CB LEU A 65 4.307 8.745 -8.559 1.00 0.00 C ATOM 1051 CG LEU A 65 4.994 8.386 -7.221 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.069 7.494 -6.376 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.308 7.641 -7.502 1.00 0.00 C ATOM 0 H LEU A 65 3.286 10.914 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 65 5.904 10.166 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.228 8.801 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.493 7.961 -9.294 1.00 0.00 H new ATOM 0 HG LEU A 65 5.204 9.304 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.562 7.247 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.140 8.025 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.849 6.577 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.792 7.388 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.097 6.727 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.969 8.278 -8.089 1.00 0.00 H new ATOM 1065 N ASP A 66 3.611 10.911 -11.003 1.00 0.00 N ATOM 1066 CA ASP A 66 3.315 11.072 -12.419 1.00 0.00 C ATOM 1067 C ASP A 66 4.352 11.970 -13.090 1.00 0.00 C ATOM 1068 O ASP A 66 4.682 11.786 -14.261 1.00 0.00 O ATOM 1069 CB ASP A 66 1.919 11.678 -12.582 1.00 0.00 C ATOM 1070 CG ASP A 66 1.388 11.419 -13.989 1.00 0.00 C ATOM 1071 OD1 ASP A 66 1.096 10.273 -14.288 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.281 12.370 -14.745 1.00 0.00 O ATOM 0 H ASP A 66 2.969 11.398 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 66 3.348 10.093 -12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.240 11.248 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.957 12.751 -12.392 1.00 0.00 H new ATOM 1077 N GLN A 67 4.860 12.940 -12.338 1.00 0.00 N ATOM 1078 CA GLN A 67 5.858 13.862 -12.870 1.00 0.00 C ATOM 1079 C GLN A 67 7.141 13.120 -13.231 1.00 0.00 C ATOM 1080 O GLN A 67 7.632 13.222 -14.355 1.00 0.00 O ATOM 1081 CB GLN A 67 6.169 14.947 -11.838 1.00 0.00 C ATOM 1082 CG GLN A 67 4.868 15.620 -11.396 1.00 0.00 C ATOM 1083 CD GLN A 67 5.163 16.684 -10.343 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.053 17.512 -10.529 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.463 16.710 -9.243 1.00 0.00 N ATOM 0 H GLN A 67 4.600 13.108 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 67 5.453 14.321 -13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.676 14.510 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.846 15.686 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.374 16.074 -12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.183 14.875 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.725 16.022 -9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.653 17.418 -8.534 1.00 0.00 H new ATOM 1094 N LYS A 68 7.681 12.375 -12.271 1.00 0.00 N ATOM 1095 CA LYS A 68 8.909 11.622 -12.502 1.00 0.00 C ATOM 1096 C LYS A 68 8.623 10.346 -13.289 1.00 0.00 C ATOM 1097 O LYS A 68 9.427 9.929 -14.123 1.00 0.00 O ATOM 1098 CB LYS A 68 9.566 11.268 -11.165 1.00 0.00 C ATOM 1099 CG LYS A 68 8.592 10.446 -10.315 1.00 0.00 C ATOM 1100 CD LYS A 68 9.061 10.431 -8.856 1.00 0.00 C ATOM 1101 CE LYS A 68 10.396 9.685 -8.744 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.504 10.580 -9.182 1.00 0.00 N ATOM 0 H LYS A 68 7.292 12.277 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 68 9.587 12.245 -13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.481 10.702 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.848 12.178 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.590 10.871 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.532 9.427 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.173 11.452 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.311 9.949 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.560 9.363 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.375 8.786 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.841 10.282 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.159 11.560 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.286 10.524 -8.499 1.00 0.00 H new ATOM 1116 N SER A 69 7.474 9.731 -13.023 1.00 0.00 N ATOM 1117 CA SER A 69 7.099 8.506 -13.720 1.00 0.00 C ATOM 1118 C SER A 69 8.141 7.410 -13.483 1.00 0.00 C ATOM 1119 O SER A 69 9.054 7.233 -14.289 1.00 0.00 O ATOM 1120 CB SER A 69 6.987 8.779 -15.221 1.00 0.00 C ATOM 1121 OG SER A 69 6.279 7.714 -15.840 1.00 0.00 O ATOM 0 H SER A 69 6.793 10.057 -12.337 1.00 0.00 H new ATOM 0 HA SER A 69 6.137 8.170 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.470 9.723 -15.393 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.980 8.875 -15.660 1.00 0.00 H new ATOM 0 HG SER A 69 6.204 7.886 -16.802 1.00 0.00 H new ATOM 1127 N PRO A 70 8.030 6.678 -12.400 1.00 0.00 N ATOM 1128 CA PRO A 70 8.994 5.585 -12.070 1.00 0.00 C ATOM 1129 C PRO A 70 9.225 4.644 -13.252 1.00 0.00 C ATOM 1130 O PRO A 70 10.365 4.355 -13.614 1.00 0.00 O ATOM 1131 CB PRO A 70 8.326 4.856 -10.894 1.00 0.00 C ATOM 1132 CG PRO A 70 7.465 5.891 -10.244 1.00 0.00 C ATOM 1133 CD PRO A 70 6.980 6.804 -11.373 1.00 0.00 C ATOM 0 HA PRO A 70 9.985 5.968 -11.826 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.734 4.008 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.068 4.465 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.624 5.430 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.027 6.455 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.008 6.489 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.871 7.835 -11.036 1.00 0.00 H new ATOM 1141 N THR A 71 8.135 4.172 -13.849 1.00 0.00 N ATOM 1142 CA THR A 71 8.231 3.268 -14.988 1.00 0.00 C ATOM 1143 C THR A 71 9.240 2.156 -14.708 1.00 0.00 C ATOM 1144 O THR A 71 10.329 2.135 -15.280 1.00 0.00 O ATOM 1145 CB THR A 71 8.657 4.042 -16.237 1.00 0.00 C ATOM 1146 OG1 THR A 71 9.982 4.524 -16.063 1.00 0.00 O ATOM 1147 CG2 THR A 71 7.708 5.221 -16.458 1.00 0.00 C ATOM 0 H THR A 71 7.182 4.399 -13.565 1.00 0.00 H new ATOM 0 HA THR A 71 7.251 2.821 -15.155 1.00 0.00 H new ATOM 0 HB THR A 71 8.620 3.383 -17.104 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.424 4.016 -15.351 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.013 5.771 -17.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.692 4.850 -16.591 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.742 5.883 -15.593 1.00 0.00 H new ATOM 1155 N PRO A 72 8.894 1.241 -13.842 1.00 0.00 N ATOM 1156 CA PRO A 72 9.784 0.099 -13.475 1.00 0.00 C ATOM 1157 C PRO A 72 10.394 -0.575 -14.704 1.00 0.00 C ATOM 1158 O PRO A 72 10.146 -0.163 -15.837 1.00 0.00 O ATOM 1159 CB PRO A 72 8.847 -0.853 -12.720 1.00 0.00 C ATOM 1160 CG PRO A 72 7.801 0.035 -12.125 1.00 0.00 C ATOM 1161 CD PRO A 72 7.614 1.191 -13.113 1.00 0.00 C ATOM 0 HA PRO A 72 10.643 0.415 -12.882 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.406 -1.589 -13.392 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.382 -1.406 -11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.867 -0.507 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.113 0.404 -11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.777 1.010 -13.787 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.411 2.129 -12.597 1.00 0.00 H new ATOM 1169 N LYS A 73 11.190 -1.613 -14.469 1.00 0.00 N ATOM 1170 CA LYS A 73 11.829 -2.336 -15.563 1.00 0.00 C ATOM 1171 C LYS A 73 12.541 -1.365 -16.502 1.00 0.00 C ATOM 1172 O LYS A 73 12.119 -1.165 -17.641 1.00 0.00 O ATOM 1173 CB LYS A 73 10.778 -3.131 -16.348 1.00 0.00 C ATOM 1174 CG LYS A 73 11.465 -4.119 -17.312 1.00 0.00 C ATOM 1175 CD LYS A 73 11.801 -5.429 -16.585 1.00 0.00 C ATOM 1176 CE LYS A 73 12.346 -6.443 -17.592 1.00 0.00 C ATOM 1177 NZ LYS A 73 12.602 -7.739 -16.902 1.00 0.00 N ATOM 0 H LYS A 73 11.407 -1.970 -13.539 1.00 0.00 H new ATOM 0 HA LYS A 73 12.564 -3.022 -15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.133 -3.675 -15.658 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.140 -2.448 -16.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.812 -4.323 -18.160 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.376 -3.673 -17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.537 -5.245 -15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.911 -5.826 -16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.632 -6.585 -18.403 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.267 -6.069 -18.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.973 -8.429 -17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.298 -7.596 -16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.714 -8.097 -16.495 1.00 0.00 H new ATOM 1191 N PRO A 74 13.607 -0.763 -16.042 1.00 0.00 N ATOM 1192 CA PRO A 74 14.399 0.209 -16.853 1.00 0.00 C ATOM 1193 C PRO A 74 14.658 -0.299 -18.271 1.00 0.00 C ATOM 1194 O PRO A 74 14.946 0.520 -19.128 1.00 0.00 O ATOM 1195 CB PRO A 74 15.703 0.350 -16.060 1.00 0.00 C ATOM 1196 CG PRO A 74 15.316 0.080 -14.640 1.00 0.00 C ATOM 1197 CD PRO A 74 14.179 -0.946 -14.696 1.00 0.00 C ATOM 1198 OXT PRO A 74 14.565 -1.497 -18.476 1.00 0.00 O ATOM 0 HA PRO A 74 13.878 1.156 -16.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.456 -0.358 -16.407 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.128 1.347 -16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 74 16.162 -0.307 -14.072 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.991 0.995 -14.144 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.549 -1.961 -14.553 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.437 -0.764 -13.918 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -11.805 19.852 11.837 1.00 0.00 N ATOM 1208 CA VAL B 208 -10.624 19.150 11.264 1.00 0.00 C ATOM 1209 C VAL B 208 -10.969 17.683 11.034 1.00 0.00 C ATOM 1210 O VAL B 208 -11.652 17.061 11.848 1.00 0.00 O ATOM 1211 CB VAL B 208 -9.446 19.263 12.234 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -9.833 18.650 13.580 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -8.241 18.513 11.661 1.00 0.00 C ATOM 0 HA VAL B 208 -10.350 19.607 10.313 1.00 0.00 H new ATOM 0 HB VAL B 208 -9.189 20.313 12.373 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -8.994 18.730 14.271 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -10.692 19.182 13.989 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -10.089 17.600 13.441 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -7.401 18.593 12.351 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -8.498 17.463 11.522 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -7.964 18.949 10.701 1.00 0.00 H new ATOM 1225 N GLU B 209 -10.494 17.135 9.920 1.00 0.00 N ATOM 1226 CA GLU B 209 -10.759 15.738 9.594 1.00 0.00 C ATOM 1227 C GLU B 209 -10.098 14.817 10.620 1.00 0.00 C ATOM 1228 O GLU B 209 -10.262 15.004 11.826 1.00 0.00 O ATOM 1229 CB GLU B 209 -10.234 15.427 8.185 1.00 0.00 C ATOM 1230 CG GLU B 209 -10.919 14.169 7.637 1.00 0.00 C ATOM 1231 CD GLU B 209 -12.333 14.504 7.171 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -12.518 15.584 6.637 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -13.209 13.675 7.358 1.00 0.00 O ATOM 0 H GLU B 209 -9.928 17.632 9.233 1.00 0.00 H new ATOM 0 HA GLU B 209 -11.835 15.566 9.620 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -10.423 16.272 7.523 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -9.154 15.280 8.214 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -10.341 13.763 6.807 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -10.954 13.399 8.408 1.00 0.00 H new ATOM 1240 N THR B 210 -9.354 13.827 10.137 1.00 0.00 N ATOM 1241 CA THR B 210 -8.678 12.890 11.027 1.00 0.00 C ATOM 1242 C THR B 210 -7.650 12.067 10.258 1.00 0.00 C ATOM 1243 O THR B 210 -6.488 11.979 10.654 1.00 0.00 O ATOM 1244 CB THR B 210 -9.700 11.956 11.677 1.00 0.00 C ATOM 1245 OG1 THR B 210 -10.609 12.721 12.455 1.00 0.00 O ATOM 1246 CG2 THR B 210 -8.978 10.951 12.574 1.00 0.00 C ATOM 0 H THR B 210 -9.205 13.654 9.143 1.00 0.00 H new ATOM 0 HA THR B 210 -8.164 13.460 11.801 1.00 0.00 H new ATOM 0 HB THR B 210 -10.247 11.419 10.902 1.00 0.00 H new ATOM 0 HG1 THR B 210 -10.192 13.573 12.702 1.00 0.00 H new ATOM 0 HG21 THR B 210 -9.708 10.286 13.036 1.00 0.00 H new ATOM 0 HG22 THR B 210 -8.281 10.365 11.976 1.00 0.00 H new ATOM 0 HG23 THR B 210 -8.430 11.485 13.351 1.00 0.00 H new ATOM 1254 N PHE B 211 -8.086 11.464 9.157 1.00 0.00 N ATOM 1255 CA PHE B 211 -7.194 10.650 8.339 1.00 0.00 C ATOM 1256 C PHE B 211 -6.278 11.550 7.508 1.00 0.00 C ATOM 1257 O PHE B 211 -6.295 11.505 6.277 1.00 0.00 O ATOM 1258 CB PHE B 211 -8.020 9.732 7.414 1.00 0.00 C ATOM 1259 CG PHE B 211 -8.421 8.464 8.146 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -9.046 8.541 9.399 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -8.167 7.208 7.571 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -9.413 7.370 10.072 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -8.536 6.040 8.246 1.00 0.00 C ATOM 1264 CZ PHE B 211 -9.158 6.120 9.497 1.00 0.00 C ATOM 0 H PHE B 211 -9.044 11.523 8.812 1.00 0.00 H new ATOM 0 HA PHE B 211 -6.579 10.031 8.992 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -8.911 10.258 7.070 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.438 9.479 6.528 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -9.244 9.504 9.845 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -7.686 7.144 6.606 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -9.894 7.431 11.037 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -8.341 5.075 7.801 1.00 0.00 H new ATOM 0 HZ PHE B 211 -9.441 5.218 10.018 1.00 0.00 H new ATOM 1274 N GLY B 212 -5.480 12.367 8.190 1.00 0.00 N ATOM 1275 CA GLY B 212 -4.561 13.272 7.507 1.00 0.00 C ATOM 1276 C GLY B 212 -4.182 14.446 8.405 1.00 0.00 C ATOM 1277 O GLY B 212 -5.041 15.220 8.827 1.00 0.00 O ATOM 0 H GLY B 212 -5.451 12.421 9.208 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -3.662 12.730 7.213 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -5.023 13.643 6.592 1.00 0.00 H new ATOM 1281 N THR B 213 -2.890 14.573 8.690 1.00 0.00 N ATOM 1282 CA THR B 213 -2.405 15.658 9.538 1.00 0.00 C ATOM 1283 C THR B 213 -0.882 15.604 9.657 1.00 0.00 C ATOM 1284 O THR B 213 -0.170 15.761 8.666 1.00 0.00 O ATOM 1285 CB THR B 213 -3.048 15.561 10.927 1.00 0.00 C ATOM 1286 OG1 THR B 213 -2.341 16.389 11.839 1.00 0.00 O ATOM 1287 CG2 THR B 213 -3.014 14.110 11.414 1.00 0.00 C ATOM 0 H THR B 213 -2.164 13.943 8.349 1.00 0.00 H new ATOM 0 HA THR B 213 -2.682 16.609 9.083 1.00 0.00 H new ATOM 0 HB THR B 213 -4.084 15.894 10.867 1.00 0.00 H new ATOM 0 HG1 THR B 213 -2.754 16.327 12.725 1.00 0.00 H new ATOM 0 HG21 THR B 213 -3.472 14.047 12.401 1.00 0.00 H new ATOM 0 HG22 THR B 213 -3.566 13.479 10.717 1.00 0.00 H new ATOM 0 HG23 THR B 213 -1.980 13.770 11.471 1.00 0.00 H new ATOM 1295 N THR B 214 -0.387 15.379 10.871 1.00 0.00 N ATOM 1296 CA THR B 214 1.052 15.308 11.098 1.00 0.00 C ATOM 1297 C THR B 214 1.712 14.414 10.051 1.00 0.00 C ATOM 1298 O THR B 214 1.028 13.759 9.266 1.00 0.00 O ATOM 1299 CB THR B 214 1.328 14.755 12.503 1.00 0.00 C ATOM 1300 OG1 THR B 214 0.651 15.554 13.462 1.00 0.00 O ATOM 1301 CG2 THR B 214 2.834 14.775 12.796 1.00 0.00 C ATOM 0 H THR B 214 -0.956 15.244 11.706 1.00 0.00 H new ATOM 0 HA THR B 214 1.471 16.311 11.015 1.00 0.00 H new ATOM 0 HB THR B 214 0.971 13.727 12.557 1.00 0.00 H new ATOM 0 HG1 THR B 214 0.823 15.203 14.361 1.00 0.00 H new ATOM 0 HG21 THR B 214 3.015 14.380 13.796 1.00 0.00 H new ATOM 0 HG22 THR B 214 3.356 14.160 12.063 1.00 0.00 H new ATOM 0 HG23 THR B 214 3.202 15.799 12.738 1.00 0.00 H new ATOM 1309 N SER B 215 3.042 14.395 10.044 1.00 0.00 N ATOM 1310 CA SER B 215 3.781 13.579 9.087 1.00 0.00 C ATOM 1311 C SER B 215 3.323 12.124 9.158 1.00 0.00 C ATOM 1312 O SER B 215 2.214 11.793 8.742 1.00 0.00 O ATOM 1313 CB SER B 215 5.280 13.663 9.378 1.00 0.00 C ATOM 1314 OG SER B 215 5.988 12.871 8.435 1.00 0.00 O ATOM 0 H SER B 215 3.626 14.931 10.685 1.00 0.00 H new ATOM 0 HA SER B 215 3.586 13.959 8.084 1.00 0.00 H new ATOM 0 HB2 SER B 215 5.615 14.699 9.324 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.485 13.314 10.390 1.00 0.00 H new ATOM 0 HG SER B 215 6.949 12.925 8.619 1.00 0.00 H new HETATM 1320 N TYS B 216 4.181 11.256 9.690 1.00 0.00 N HETATM 1321 CA TYS B 216 3.840 9.842 9.808 1.00 0.00 C HETATM 1322 CB TYS B 216 3.696 9.223 8.412 1.00 0.00 C HETATM 1323 CG TYS B 216 3.405 7.739 8.526 1.00 0.00 C HETATM 1324 CD1 TYS B 216 4.279 6.807 7.954 1.00 0.00 C HETATM 1325 CD2 TYS B 216 2.260 7.295 9.200 1.00 0.00 C HETATM 1326 CE1 TYS B 216 4.012 5.437 8.059 1.00 0.00 C HETATM 1327 CE2 TYS B 216 1.992 5.926 9.304 1.00 0.00 C HETATM 1328 CZ TYS B 216 2.868 4.997 8.735 1.00 0.00 C HETATM 1329 OH TYS B 216 2.606 3.649 8.838 1.00 0.00 O HETATM 1330 S TYS B 216 2.564 2.978 10.219 1.00 0.00 S HETATM 1331 O1 TYS B 216 1.146 2.745 10.615 1.00 0.00 O HETATM 1332 O2 TYS B 216 3.284 1.675 10.162 1.00 0.00 O HETATM 1333 O3 TYS B 216 3.219 3.864 11.221 1.00 0.00 O HETATM 1334 C TYS B 216 4.906 9.097 10.609 1.00 0.00 C HETATM 1335 O TYS B 216 4.601 8.465 11.622 1.00 0.00 O HETATM 0 HO3 TYS B 216 4.189 3.857 11.080 1.00 0.00 H new HETATM 0 HE2 TYS B 216 1.100 5.584 9.829 1.00 0.00 H new HETATM 0 HE1 TYS B 216 4.695 4.713 7.614 1.00 0.00 H new HETATM 0 HD2 TYS B 216 1.576 8.018 9.645 1.00 0.00 H new HETATM 0 HD1 TYS B 216 5.169 7.149 7.426 1.00 0.00 H new HETATM 0 HB3 TYS B 216 2.892 9.718 7.868 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.611 9.379 7.841 1.00 0.00 H new HETATM 0 HA TYS B 216 2.891 9.754 10.337 1.00 0.00 H new HETATM 1344 N TYS B 217 6.158 9.177 10.159 1.00 0.00 N HETATM 1345 CA TYS B 217 7.261 8.509 10.855 1.00 0.00 C HETATM 1346 CB TYS B 217 8.318 8.033 9.836 1.00 0.00 C HETATM 1347 CG TYS B 217 7.921 6.681 9.278 1.00 0.00 C HETATM 1348 CD1 TYS B 217 7.604 6.540 7.920 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.861 5.570 10.129 1.00 0.00 C HETATM 1350 CE1 TYS B 217 7.224 5.289 7.417 1.00 0.00 C HETATM 1351 CE2 TYS B 217 7.484 4.322 9.625 1.00 0.00 C HETATM 1352 CZ TYS B 217 7.164 4.180 8.270 1.00 0.00 C HETATM 1353 OH TYS B 217 6.785 2.952 7.782 1.00 0.00 O HETATM 1354 S TYS B 217 5.654 2.174 8.471 1.00 0.00 S HETATM 1355 O1 TYS B 217 6.141 0.818 8.850 1.00 0.00 O HETATM 1356 O2 TYS B 217 5.221 2.906 9.694 1.00 0.00 O HETATM 1357 O3 TYS B 217 4.500 2.044 7.538 1.00 0.00 O HETATM 1358 C TYS B 217 7.902 9.460 11.865 1.00 0.00 C HETATM 1359 O TYS B 217 7.848 9.220 13.070 1.00 0.00 O HETATM 0 HO3 TYS B 217 3.734 2.542 7.893 1.00 0.00 H new HETATM 0 HE2 TYS B 217 7.439 3.458 10.288 1.00 0.00 H new HETATM 0 HE1 TYS B 217 6.975 5.179 6.362 1.00 0.00 H new HETATM 0 HD2 TYS B 217 8.108 5.679 11.185 1.00 0.00 H new HETATM 0 HD1 TYS B 217 7.653 7.403 7.256 1.00 0.00 H new HETATM 0 HB3 TYS B 217 8.409 8.758 9.027 1.00 0.00 H new HETATM 0 HB2 TYS B 217 9.295 7.966 10.316 1.00 0.00 H new HETATM 0 HA TYS B 217 6.866 7.644 11.388 1.00 0.00 H new HETATM 0 H TYS B 217 6.176 9.266 9.143 1.00 0.00 H new ATOM 1368 N ASP B 218 8.507 10.532 11.362 1.00 0.00 N ATOM 1369 CA ASP B 218 9.160 11.515 12.224 1.00 0.00 C ATOM 1370 C ASP B 218 10.423 10.926 12.848 1.00 0.00 C ATOM 1371 O ASP B 218 11.443 11.606 12.962 1.00 0.00 O ATOM 1372 CB ASP B 218 8.196 11.980 13.327 1.00 0.00 C ATOM 1373 CG ASP B 218 8.628 13.340 13.869 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.600 14.295 13.109 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.981 13.407 15.035 1.00 0.00 O ATOM 0 H ASP B 218 8.559 10.743 10.365 1.00 0.00 H new ATOM 0 HA ASP B 218 9.441 12.374 11.614 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.183 12.044 12.931 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.177 11.248 14.135 1.00 0.00 H new ATOM 1380 N ASP B 219 10.350 9.660 13.246 1.00 0.00 N ATOM 1381 CA ASP B 219 11.497 8.993 13.852 1.00 0.00 C ATOM 1382 C ASP B 219 12.547 8.681 12.792 1.00 0.00 C ATOM 1383 O ASP B 219 13.747 8.773 13.046 1.00 0.00 O ATOM 1384 CB ASP B 219 11.052 7.696 14.530 1.00 0.00 C ATOM 1385 CG ASP B 219 10.175 8.013 15.736 1.00 0.00 C ATOM 1386 OD1 ASP B 219 10.614 8.779 16.579 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.076 7.485 15.802 1.00 0.00 O ATOM 0 H ASP B 219 9.516 9.079 13.161 1.00 0.00 H new ATOM 0 HA ASP B 219 11.931 9.658 14.598 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.501 7.076 13.822 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.924 7.123 14.845 1.00 0.00 H new ATOM 1392 N VAL B 220 12.081 8.319 11.601 1.00 0.00 N ATOM 1393 CA VAL B 220 12.981 8.000 10.498 1.00 0.00 C ATOM 1394 C VAL B 220 13.860 6.801 10.842 1.00 0.00 C ATOM 1395 O VAL B 220 13.697 5.718 10.281 1.00 0.00 O ATOM 1396 CB VAL B 220 13.864 9.211 10.181 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.503 9.037 8.802 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.009 10.482 10.191 1.00 0.00 C ATOM 0 H VAL B 220 11.089 8.239 11.375 1.00 0.00 H new ATOM 0 HA VAL B 220 12.378 7.748 9.626 1.00 0.00 H new ATOM 0 HB VAL B 220 14.648 9.293 10.934 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.130 9.900 8.580 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.113 8.134 8.795 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.721 8.953 8.047 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.636 11.344 9.966 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.224 10.398 9.440 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.558 10.609 11.175 1.00 0.00 H new ATOM 1408 N GLY B 221 14.797 7.005 11.763 1.00 0.00 N ATOM 1409 CA GLY B 221 15.704 5.937 12.172 1.00 0.00 C ATOM 1410 C GLY B 221 14.948 4.642 12.454 1.00 0.00 C ATOM 1411 O GLY B 221 15.556 3.582 12.608 1.00 0.00 O ATOM 0 H GLY B 221 14.948 7.895 12.238 1.00 0.00 H new ATOM 0 HA2 GLY B 221 16.443 5.766 11.389 1.00 0.00 H new ATOM 0 HA3 GLY B 221 16.250 6.243 13.064 1.00 0.00 H new ATOM 1415 N LEU B 222 13.624 4.730 12.523 1.00 0.00 N ATOM 1416 CA LEU B 222 12.803 3.553 12.790 1.00 0.00 C ATOM 1417 C LEU B 222 13.268 2.369 11.947 1.00 0.00 C ATOM 1418 O LEU B 222 13.592 1.306 12.478 1.00 0.00 O ATOM 1419 CB LEU B 222 11.332 3.858 12.479 1.00 0.00 C ATOM 1420 CG LEU B 222 10.426 2.742 13.042 1.00 0.00 C ATOM 1421 CD1 LEU B 222 10.114 3.001 14.522 1.00 0.00 C ATOM 1422 CD2 LEU B 222 9.110 2.703 12.259 1.00 0.00 C ATOM 0 H LEU B 222 13.099 5.596 12.399 1.00 0.00 H new ATOM 0 HA LEU B 222 12.906 3.295 13.844 1.00 0.00 H new ATOM 0 HB2 LEU B 222 11.052 4.818 12.914 1.00 0.00 H new ATOM 0 HB3 LEU B 222 11.190 3.943 11.402 1.00 0.00 H new ATOM 0 HG LEU B 222 10.948 1.790 12.945 1.00 0.00 H new ATOM 0 HD11 LEU B 222 9.474 2.205 14.904 1.00 0.00 H new ATOM 0 HD12 LEU B 222 11.043 3.024 15.091 1.00 0.00 H new ATOM 0 HD13 LEU B 222 9.602 3.958 14.624 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.472 1.914 12.658 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.602 3.663 12.353 1.00 0.00 H new ATOM 0 HD23 LEU B 222 9.318 2.504 11.208 1.00 0.00 H new ATOM 1434 N LEU B 223 13.298 2.557 10.631 1.00 0.00 N ATOM 1435 CA LEU B 223 13.726 1.497 9.724 1.00 0.00 C ATOM 1436 C LEU B 223 14.997 0.830 10.247 1.00 0.00 C ATOM 1437 O LEU B 223 16.033 1.473 10.222 1.00 0.00 O ATOM 1438 CB LEU B 223 13.977 2.081 8.324 1.00 0.00 C ATOM 1439 CG LEU B 223 13.843 0.986 7.256 1.00 0.00 C ATOM 1440 CD1 LEU B 223 14.066 1.602 5.872 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.884 -0.117 7.503 1.00 0.00 C ATOM 1442 OXT LEU B 223 14.914 -0.314 10.664 1.00 0.00 O ATOM 0 H LEU B 223 13.033 3.428 10.171 1.00 0.00 H new ATOM 0 HA LEU B 223 12.939 0.746 9.664 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.265 2.882 8.124 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.973 2.521 8.280 1.00 0.00 H new ATOM 0 HG LEU B 223 12.845 0.550 7.308 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.972 0.828 5.110 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.321 2.378 5.695 1.00 0.00 H new ATOM 0 HD13 LEU B 223 15.064 2.039 5.825 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.783 -0.890 6.741 1.00 0.00 H new ATOM 0 HD22 LEU B 223 15.885 0.311 7.455 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.723 -0.555 8.488 1.00 0.00 H new TER 1454 LEU B 223