USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 860 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 25 MET CE :methyl -170:sc=-0.000778 (180deg=-0.15) USER MOD Set 1.2: B 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= 0.166 (180deg=0.00692) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -51:sc= 0.012 USER MOD Single : A 38 GLN : amide:sc= 0.577 K(o=0.58,f=-3.7!) USER MOD Single : A 39 SER OG : rot 95:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 0.808 (180deg=0.61) USER MOD Single : A 42 GLN : amide:sc= -0.902 X(o=-0.9,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 1.84 (180deg=-0.00553) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 140:sc= 0.45 (180deg=0.0122) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot 113:sc= 1.3 USER MOD Single : B 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 MET CE :methyl 172:sc= 0 (180deg=-0.0594) USER MOD Single : B 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 128 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.071) USER MOD Single : B 135 GLN : amide:sc= -0.0955 X(o=-0.095,f=-0.039) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 GLN : amide:sc= 1.07 K(o=1.1,f=-5.3!) USER MOD Single : B 139 SER OG : rot 70:sc= 1.24 USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 142 GLN :FLIP amide:sc= -0.167 F(o=-0.72,f=-0.17) USER MOD Single : B 151 LYS NZ :NH3+ -164:sc= 0.608 (180deg=-0.0229) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.294 -4.355 13.547 1.00 0.00 N ATOM 2 CA GLY A 1 -14.847 -3.046 13.178 1.00 0.00 C ATOM 3 C GLY A 1 -16.357 -3.130 13.161 1.00 0.00 C ATOM 4 O GLY A 1 -16.978 -3.055 14.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.255 -4.302 13.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.639 -4.624 14.491 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.596 -5.068 12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.521 -2.287 13.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.477 -2.745 12.198 1.00 0.00 H new ATOM 8 N SER A 2 -16.954 -3.176 11.974 1.00 0.00 N ATOM 9 CA SER A 2 -18.383 -3.297 11.735 1.00 0.00 C ATOM 10 C SER A 2 -18.516 -4.041 10.407 1.00 0.00 C ATOM 11 O SER A 2 -17.530 -4.137 9.665 1.00 0.00 O ATOM 12 CB SER A 2 -19.087 -1.931 11.733 1.00 0.00 C ATOM 13 OG SER A 2 -18.587 -1.032 10.756 1.00 0.00 O ATOM 0 H SER A 2 -16.421 -3.127 11.106 1.00 0.00 H new ATOM 0 HA SER A 2 -18.879 -3.847 12.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.153 -2.082 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.983 -1.477 12.719 1.00 0.00 H new ATOM 0 HG SER A 2 -19.078 -0.186 10.808 1.00 0.00 H new ATOM 19 N ASP A 3 -19.688 -4.603 10.128 1.00 0.00 N ATOM 20 CA ASP A 3 -19.921 -5.325 8.884 1.00 0.00 C ATOM 21 C ASP A 3 -20.624 -4.355 7.940 1.00 0.00 C ATOM 22 O ASP A 3 -21.333 -3.441 8.370 1.00 0.00 O ATOM 23 CB ASP A 3 -20.660 -6.646 9.126 1.00 0.00 C ATOM 24 CG ASP A 3 -19.843 -7.588 10.022 1.00 0.00 C ATOM 25 OD1 ASP A 3 -18.617 -7.746 9.809 1.00 0.00 O ATOM 26 OD2 ASP A 3 -20.419 -8.110 11.006 1.00 0.00 O ATOM 0 H ASP A 3 -20.495 -4.571 10.751 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.990 -5.646 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.625 -6.445 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.861 -7.132 8.172 1.00 0.00 H new ATOM 31 N TYR A 4 -20.454 -4.565 6.638 1.00 0.00 N ATOM 32 CA TYR A 4 -21.005 -3.710 5.589 1.00 0.00 C ATOM 33 C TYR A 4 -22.002 -4.451 4.692 1.00 0.00 C ATOM 34 O TYR A 4 -22.352 -4.015 3.598 1.00 0.00 O ATOM 35 CB TYR A 4 -19.817 -3.075 4.861 1.00 0.00 C ATOM 36 CG TYR A 4 -19.015 -2.104 5.728 1.00 0.00 C ATOM 37 CD1 TYR A 4 -18.065 -2.584 6.654 1.00 0.00 C ATOM 38 CD2 TYR A 4 -19.250 -0.716 5.642 1.00 0.00 C ATOM 39 CE1 TYR A 4 -17.398 -1.701 7.520 1.00 0.00 C ATOM 40 CE2 TYR A 4 -18.566 0.177 6.490 1.00 0.00 C ATOM 41 CZ TYR A 4 -17.654 -0.317 7.452 1.00 0.00 C ATOM 42 OH TYR A 4 -17.000 0.548 8.276 1.00 0.00 O ATOM 0 H TYR A 4 -19.917 -5.352 6.274 1.00 0.00 H new ATOM 0 HA TYR A 4 -21.618 -2.912 6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.154 -3.865 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -20.182 -2.546 3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -17.848 -3.641 6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -19.959 -0.335 4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -16.688 -2.084 8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -18.738 1.240 6.406 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.298 1.463 8.092 1.00 0.00 H new ATOM 52 N GLU A 5 -22.490 -5.592 5.153 1.00 0.00 N ATOM 53 CA GLU A 5 -23.468 -6.419 4.457 1.00 0.00 C ATOM 54 C GLU A 5 -24.846 -5.760 4.426 1.00 0.00 C ATOM 55 O GLU A 5 -25.680 -6.074 3.589 1.00 0.00 O ATOM 56 CB GLU A 5 -23.503 -7.781 5.151 1.00 0.00 C ATOM 57 CG GLU A 5 -23.859 -7.750 6.654 1.00 0.00 C ATOM 58 CD GLU A 5 -23.357 -8.984 7.415 1.00 0.00 C ATOM 59 OE1 GLU A 5 -23.021 -10.011 6.781 1.00 0.00 O ATOM 60 OE2 GLU A 5 -23.264 -8.916 8.657 1.00 0.00 O ATOM 0 H GLU A 5 -22.208 -5.982 6.052 1.00 0.00 H new ATOM 0 HA GLU A 5 -23.177 -6.543 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.227 -8.413 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.528 -8.254 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.432 -6.854 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -24.941 -7.678 6.764 1.00 0.00 H new ATOM 67 N PHE A 6 -25.110 -4.851 5.354 1.00 0.00 N ATOM 68 CA PHE A 6 -26.359 -4.113 5.503 1.00 0.00 C ATOM 69 C PHE A 6 -26.490 -2.966 4.500 1.00 0.00 C ATOM 70 O PHE A 6 -27.548 -2.343 4.419 1.00 0.00 O ATOM 71 CB PHE A 6 -26.404 -3.542 6.920 1.00 0.00 C ATOM 72 CG PHE A 6 -26.054 -4.545 8.000 1.00 0.00 C ATOM 73 CD1 PHE A 6 -26.868 -5.677 8.199 1.00 0.00 C ATOM 74 CD2 PHE A 6 -24.877 -4.379 8.755 1.00 0.00 C ATOM 75 CE1 PHE A 6 -26.504 -6.642 9.152 1.00 0.00 C ATOM 76 CE2 PHE A 6 -24.516 -5.343 9.708 1.00 0.00 C ATOM 77 CZ PHE A 6 -25.328 -6.471 9.902 1.00 0.00 C ATOM 0 H PHE A 6 -24.422 -4.594 6.062 1.00 0.00 H new ATOM 0 HA PHE A 6 -27.184 -4.800 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -25.715 -2.700 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -27.403 -3.151 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -27.771 -5.803 7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -24.253 -3.511 8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -27.125 -7.512 9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -23.616 -5.217 10.291 1.00 0.00 H new ATOM 0 HZ PHE A 6 -25.047 -7.214 10.634 1.00 0.00 H new ATOM 87 N LEU A 7 -25.436 -2.678 3.723 1.00 0.00 N ATOM 88 CA LEU A 7 -25.435 -1.600 2.736 1.00 0.00 C ATOM 89 C LEU A 7 -26.550 -1.777 1.706 1.00 0.00 C ATOM 90 O LEU A 7 -26.922 -0.807 1.053 1.00 0.00 O ATOM 91 CB LEU A 7 -24.077 -1.489 2.033 1.00 0.00 C ATOM 92 CG LEU A 7 -22.909 -1.030 2.924 1.00 0.00 C ATOM 93 CD1 LEU A 7 -21.616 -1.239 2.136 1.00 0.00 C ATOM 94 CD2 LEU A 7 -23.034 0.431 3.356 1.00 0.00 C ATOM 0 H LEU A 7 -24.556 -3.193 3.766 1.00 0.00 H new ATOM 0 HA LEU A 7 -25.620 -0.673 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -23.827 -2.461 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -24.173 -0.791 1.201 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.915 -1.619 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.766 -0.923 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.510 -2.294 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.649 -0.649 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -22.183 0.699 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -23.052 1.071 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -23.957 0.566 3.921 1.00 0.00 H new ATOM 106 N LYS A 8 -27.109 -2.981 1.554 1.00 0.00 N ATOM 107 CA LYS A 8 -28.209 -3.186 0.600 1.00 0.00 C ATOM 108 C LYS A 8 -29.405 -2.305 0.952 1.00 0.00 C ATOM 109 O LYS A 8 -30.138 -1.856 0.070 1.00 0.00 O ATOM 110 CB LYS A 8 -28.713 -4.633 0.648 1.00 0.00 C ATOM 111 CG LYS A 8 -27.859 -5.591 -0.169 1.00 0.00 C ATOM 112 CD LYS A 8 -26.611 -6.038 0.584 1.00 0.00 C ATOM 113 CE LYS A 8 -25.837 -7.021 -0.275 1.00 0.00 C ATOM 114 NZ LYS A 8 -24.547 -7.386 0.331 1.00 0.00 N ATOM 0 H LYS A 8 -26.827 -3.816 2.067 1.00 0.00 H new ATOM 0 HA LYS A 8 -27.815 -2.940 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -28.735 -4.969 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.739 -4.666 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.452 -6.465 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.565 -5.108 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.988 -5.176 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.889 -6.503 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.435 -7.920 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.665 -6.585 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.856 -7.590 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.202 -6.597 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.670 -8.229 0.927 1.00 0.00 H new ATOM 128 N SER A 9 -29.632 -2.120 2.247 1.00 0.00 N ATOM 129 CA SER A 9 -30.721 -1.334 2.799 1.00 0.00 C ATOM 130 C SER A 9 -30.417 0.167 2.833 1.00 0.00 C ATOM 131 O SER A 9 -31.301 0.940 3.198 1.00 0.00 O ATOM 132 CB SER A 9 -30.995 -1.837 4.223 1.00 0.00 C ATOM 133 OG SER A 9 -31.146 -3.252 4.255 1.00 0.00 O ATOM 0 H SER A 9 -29.037 -2.531 2.967 1.00 0.00 H new ATOM 0 HA SER A 9 -31.591 -1.459 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.175 -1.542 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.898 -1.365 4.610 1.00 0.00 H new ATOM 0 HG SER A 9 -31.318 -3.542 5.175 1.00 0.00 H new ATOM 139 N TRP A 10 -29.184 0.585 2.538 1.00 0.00 N ATOM 140 CA TRP A 10 -28.803 1.987 2.562 1.00 0.00 C ATOM 141 C TRP A 10 -29.270 2.713 1.303 1.00 0.00 C ATOM 142 O TRP A 10 -29.679 2.112 0.305 1.00 0.00 O ATOM 143 CB TRP A 10 -27.282 2.093 2.752 1.00 0.00 C ATOM 144 CG TRP A 10 -26.769 2.085 4.165 1.00 0.00 C ATOM 145 CD1 TRP A 10 -25.523 2.485 4.491 1.00 0.00 C ATOM 146 CD2 TRP A 10 -27.415 1.756 5.441 1.00 0.00 C ATOM 147 NE1 TRP A 10 -25.357 2.477 5.856 1.00 0.00 N ATOM 148 CE2 TRP A 10 -26.510 2.090 6.494 1.00 0.00 C ATOM 149 CE3 TRP A 10 -28.666 1.233 5.844 1.00 0.00 C ATOM 150 CZ2 TRP A 10 -26.853 1.990 7.848 1.00 0.00 C ATOM 151 CZ3 TRP A 10 -29.021 1.119 7.201 1.00 0.00 C ATOM 152 CH2 TRP A 10 -28.125 1.518 8.204 1.00 0.00 C ATOM 0 H TRP A 10 -28.425 -0.045 2.276 1.00 0.00 H new ATOM 0 HA TRP A 10 -29.296 2.478 3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -26.815 1.266 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -26.944 3.012 2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -24.762 2.771 3.780 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -24.490 2.726 6.333 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -29.368 0.912 5.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -26.144 2.274 8.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -29.988 0.722 7.472 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -28.413 1.462 9.243 1.00 0.00 H new ATOM 163 N THR A 11 -29.257 4.041 1.387 1.00 0.00 N ATOM 164 CA THR A 11 -29.631 4.923 0.303 1.00 0.00 C ATOM 165 C THR A 11 -28.505 4.908 -0.724 1.00 0.00 C ATOM 166 O THR A 11 -27.351 4.591 -0.417 1.00 0.00 O ATOM 167 CB THR A 11 -29.846 6.348 0.849 1.00 0.00 C ATOM 168 OG1 THR A 11 -28.962 6.610 1.920 1.00 0.00 O ATOM 169 CG2 THR A 11 -31.279 6.530 1.342 1.00 0.00 C ATOM 0 H THR A 11 -28.979 4.538 2.233 1.00 0.00 H new ATOM 0 HA THR A 11 -30.560 4.593 -0.162 1.00 0.00 H new ATOM 0 HB THR A 11 -29.651 7.044 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.112 7.520 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 11 -31.407 7.543 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 11 -31.972 6.362 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 11 -31.483 5.815 2.139 1.00 0.00 H new ATOM 177 N VAL A 12 -28.831 5.304 -1.952 1.00 0.00 N ATOM 178 CA VAL A 12 -27.862 5.350 -3.033 1.00 0.00 C ATOM 179 C VAL A 12 -26.756 6.327 -2.671 1.00 0.00 C ATOM 180 O VAL A 12 -25.586 6.020 -2.877 1.00 0.00 O ATOM 181 CB VAL A 12 -28.547 5.778 -4.350 1.00 0.00 C ATOM 182 CG1 VAL A 12 -27.605 5.715 -5.560 1.00 0.00 C ATOM 183 CG2 VAL A 12 -29.798 4.937 -4.609 1.00 0.00 C ATOM 0 H VAL A 12 -29.770 5.599 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 12 -27.435 4.358 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 12 -28.835 6.822 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -28.142 6.027 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -26.757 6.380 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -27.246 4.694 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -30.264 5.256 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -29.521 3.885 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -30.502 5.070 -3.788 1.00 0.00 H new ATOM 193 N GLU A 13 -27.110 7.485 -2.123 1.00 0.00 N ATOM 194 CA GLU A 13 -26.129 8.485 -1.765 1.00 0.00 C ATOM 195 C GLU A 13 -25.184 7.960 -0.697 1.00 0.00 C ATOM 196 O GLU A 13 -23.975 7.991 -0.885 1.00 0.00 O ATOM 197 CB GLU A 13 -26.824 9.733 -1.235 1.00 0.00 C ATOM 198 CG GLU A 13 -27.747 10.402 -2.252 1.00 0.00 C ATOM 199 CD GLU A 13 -28.253 11.686 -1.598 1.00 0.00 C ATOM 200 OE1 GLU A 13 -29.155 11.589 -0.745 1.00 0.00 O ATOM 201 OE2 GLU A 13 -27.605 12.738 -1.831 1.00 0.00 O ATOM 0 H GLU A 13 -28.074 7.748 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.557 8.728 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -27.404 9.467 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -26.068 10.451 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -27.212 10.622 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -28.577 9.746 -2.513 1.00 0.00 H new ATOM 208 N ASP A 14 -25.719 7.461 0.416 1.00 0.00 N ATOM 209 CA ASP A 14 -24.880 6.971 1.509 1.00 0.00 C ATOM 210 C ASP A 14 -23.925 5.881 1.042 1.00 0.00 C ATOM 211 O ASP A 14 -22.717 5.940 1.289 1.00 0.00 O ATOM 212 CB ASP A 14 -25.738 6.463 2.661 1.00 0.00 C ATOM 213 CG ASP A 14 -24.855 6.219 3.888 1.00 0.00 C ATOM 214 OD1 ASP A 14 -24.321 5.099 4.056 1.00 0.00 O ATOM 215 OD2 ASP A 14 -24.724 7.130 4.736 1.00 0.00 O ATOM 0 H ASP A 14 -26.722 7.385 0.585 1.00 0.00 H new ATOM 0 HA ASP A 14 -24.281 7.811 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -26.515 7.190 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -26.242 5.540 2.373 1.00 0.00 H new ATOM 220 N LEU A 15 -24.458 4.905 0.305 1.00 0.00 N ATOM 221 CA LEU A 15 -23.651 3.806 -0.187 1.00 0.00 C ATOM 222 C LEU A 15 -22.585 4.335 -1.163 1.00 0.00 C ATOM 223 O LEU A 15 -21.431 3.903 -1.072 1.00 0.00 O ATOM 224 CB LEU A 15 -24.543 2.653 -0.714 1.00 0.00 C ATOM 225 CG LEU A 15 -24.588 2.521 -2.243 1.00 0.00 C ATOM 226 CD1 LEU A 15 -23.337 1.825 -2.808 1.00 0.00 C ATOM 227 CD2 LEU A 15 -25.845 1.803 -2.718 1.00 0.00 C ATOM 0 H LEU A 15 -25.442 4.860 0.041 1.00 0.00 H new ATOM 0 HA LEU A 15 -23.088 3.347 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -24.185 1.714 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -25.558 2.801 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.609 3.540 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -23.418 1.756 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.450 2.402 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -23.256 0.823 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -25.835 1.732 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -25.876 0.801 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.725 2.361 -2.399 1.00 0.00 H new ATOM 239 N GLN A 16 -22.922 5.279 -2.052 1.00 0.00 N ATOM 240 CA GLN A 16 -21.980 5.833 -3.021 1.00 0.00 C ATOM 241 C GLN A 16 -20.826 6.526 -2.305 1.00 0.00 C ATOM 242 O GLN A 16 -19.666 6.424 -2.710 1.00 0.00 O ATOM 243 CB GLN A 16 -22.658 6.839 -3.962 1.00 0.00 C ATOM 244 CG GLN A 16 -21.752 7.045 -5.170 1.00 0.00 C ATOM 245 CD GLN A 16 -22.477 7.639 -6.362 1.00 0.00 C ATOM 246 OE1 GLN A 16 -22.487 8.851 -6.552 1.00 0.00 O ATOM 247 NE2 GLN A 16 -23.079 6.791 -7.180 1.00 0.00 N ATOM 0 H GLN A 16 -23.859 5.678 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.604 5.000 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -23.633 6.468 -4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -22.828 7.785 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.927 7.700 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.316 6.088 -5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.049 5.790 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.573 7.139 -8.002 1.00 0.00 H new ATOM 256 N LYS A 17 -21.151 7.241 -1.229 1.00 0.00 N ATOM 257 CA LYS A 17 -20.184 7.954 -0.411 1.00 0.00 C ATOM 258 C LYS A 17 -19.189 6.953 0.175 1.00 0.00 C ATOM 259 O LYS A 17 -18.020 7.290 0.329 1.00 0.00 O ATOM 260 CB LYS A 17 -20.928 8.803 0.632 1.00 0.00 C ATOM 261 CG LYS A 17 -21.281 10.228 0.160 1.00 0.00 C ATOM 262 CD LYS A 17 -21.856 10.400 -1.260 1.00 0.00 C ATOM 263 CE LYS A 17 -22.804 11.606 -1.383 1.00 0.00 C ATOM 264 NZ LYS A 17 -22.087 12.873 -1.620 1.00 0.00 N ATOM 0 H LYS A 17 -22.111 7.340 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.595 8.656 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -21.847 8.288 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.315 8.873 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -22.002 10.644 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.379 10.836 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.035 10.517 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -22.392 9.493 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -23.503 11.431 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.395 11.693 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.773 13.651 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.438 13.058 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.544 12.804 -2.504 1.00 0.00 H new ATOM 278 N ARG A 18 -19.586 5.713 0.494 1.00 0.00 N ATOM 279 CA ARG A 18 -18.640 4.729 1.015 1.00 0.00 C ATOM 280 C ARG A 18 -17.684 4.340 -0.105 1.00 0.00 C ATOM 281 O ARG A 18 -16.486 4.252 0.141 1.00 0.00 O ATOM 282 CB ARG A 18 -19.339 3.455 1.507 1.00 0.00 C ATOM 283 CG ARG A 18 -20.398 3.602 2.603 1.00 0.00 C ATOM 284 CD ARG A 18 -19.769 3.770 3.984 1.00 0.00 C ATOM 285 NE ARG A 18 -19.284 5.146 4.218 1.00 0.00 N ATOM 286 CZ ARG A 18 -19.604 5.930 5.257 1.00 0.00 C ATOM 287 NH1 ARG A 18 -20.391 5.483 6.231 1.00 0.00 N ATOM 288 NH2 ARG A 18 -19.112 7.165 5.322 1.00 0.00 N ATOM 0 H ARG A 18 -20.544 5.375 0.400 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.119 5.180 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.810 2.978 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.572 2.771 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.029 4.463 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.045 2.725 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -20.502 3.511 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.938 3.072 4.089 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.646 5.536 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -20.759 4.533 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.626 6.091 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.497 7.508 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.350 7.768 6.109 1.00 0.00 H new ATOM 302 N LEU A 19 -18.203 4.095 -1.313 1.00 0.00 N ATOM 303 CA LEU A 19 -17.404 3.703 -2.471 1.00 0.00 C ATOM 304 C LEU A 19 -16.350 4.744 -2.790 1.00 0.00 C ATOM 305 O LEU A 19 -15.170 4.412 -2.872 1.00 0.00 O ATOM 306 CB LEU A 19 -18.322 3.477 -3.686 1.00 0.00 C ATOM 307 CG LEU A 19 -17.598 3.165 -5.012 1.00 0.00 C ATOM 308 CD1 LEU A 19 -16.517 2.088 -4.894 1.00 0.00 C ATOM 309 CD2 LEU A 19 -18.639 2.723 -6.046 1.00 0.00 C ATOM 0 H LEU A 19 -19.201 4.165 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.889 2.773 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.000 2.654 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.936 4.367 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.086 4.079 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.056 1.927 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.758 2.411 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.967 1.158 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -18.142 2.499 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -19.154 1.832 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.363 3.523 -6.199 1.00 0.00 H new ATOM 321 N LEU A 20 -16.758 6.004 -2.913 1.00 0.00 N ATOM 322 CA LEU A 20 -15.786 7.033 -3.238 1.00 0.00 C ATOM 323 C LEU A 20 -14.815 7.224 -2.080 1.00 0.00 C ATOM 324 O LEU A 20 -13.655 7.506 -2.335 1.00 0.00 O ATOM 325 CB LEU A 20 -16.442 8.343 -3.698 1.00 0.00 C ATOM 326 CG LEU A 20 -16.969 9.219 -2.550 1.00 0.00 C ATOM 327 CD1 LEU A 20 -15.957 10.278 -2.094 1.00 0.00 C ATOM 328 CD2 LEU A 20 -18.256 9.921 -2.984 1.00 0.00 C ATOM 0 H LEU A 20 -17.719 6.326 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.209 6.694 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.717 8.917 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.268 8.107 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.154 8.553 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.386 10.865 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.048 9.787 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.717 10.935 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.626 10.541 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.053 10.548 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.008 9.175 -3.243 1.00 0.00 H new ATOM 340 N ALA A 21 -15.243 7.050 -0.820 1.00 0.00 N ATOM 341 CA ALA A 21 -14.352 7.197 0.326 1.00 0.00 C ATOM 342 C ALA A 21 -13.288 6.103 0.297 1.00 0.00 C ATOM 343 O ALA A 21 -12.156 6.320 0.718 1.00 0.00 O ATOM 344 CB ALA A 21 -15.134 7.124 1.642 1.00 0.00 C ATOM 0 H ALA A 21 -16.203 6.807 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.873 8.174 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.447 7.236 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.874 7.924 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.638 6.160 1.713 1.00 0.00 H new ATOM 350 N LEU A 22 -13.650 4.921 -0.204 1.00 0.00 N ATOM 351 CA LEU A 22 -12.780 3.766 -0.327 1.00 0.00 C ATOM 352 C LEU A 22 -11.557 4.096 -1.189 1.00 0.00 C ATOM 353 O LEU A 22 -10.518 3.460 -1.012 1.00 0.00 O ATOM 354 CB LEU A 22 -13.581 2.571 -0.898 1.00 0.00 C ATOM 355 CG LEU A 22 -13.650 1.321 -0.012 1.00 0.00 C ATOM 356 CD1 LEU A 22 -12.267 0.719 0.201 1.00 0.00 C ATOM 357 CD2 LEU A 22 -14.340 1.608 1.328 1.00 0.00 C ATOM 0 H LEU A 22 -14.594 4.742 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.409 3.487 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.599 2.905 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.142 2.289 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.259 0.587 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.349 -0.165 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.840 0.439 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.622 1.452 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.368 0.697 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.785 2.377 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.357 1.954 1.147 1.00 0.00 H new ATOM 369 N ASP A 23 -11.677 5.034 -2.142 1.00 0.00 N ATOM 370 CA ASP A 23 -10.557 5.409 -3.011 1.00 0.00 C ATOM 371 C ASP A 23 -9.412 6.083 -2.229 1.00 0.00 C ATOM 372 O ASP A 23 -8.351 5.460 -2.144 1.00 0.00 O ATOM 373 CB ASP A 23 -11.017 6.284 -4.196 1.00 0.00 C ATOM 374 CG ASP A 23 -11.533 5.511 -5.411 1.00 0.00 C ATOM 375 OD1 ASP A 23 -10.986 4.417 -5.711 1.00 0.00 O ATOM 376 OD2 ASP A 23 -12.462 6.025 -6.078 1.00 0.00 O ATOM 0 H ASP A 23 -12.540 5.545 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.161 4.481 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.804 6.953 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.182 6.910 -4.511 1.00 0.00 H new ATOM 381 N PRO A 24 -9.575 7.261 -1.583 1.00 0.00 N ATOM 382 CA PRO A 24 -8.498 7.920 -0.848 1.00 0.00 C ATOM 383 C PRO A 24 -8.049 7.130 0.383 1.00 0.00 C ATOM 384 O PRO A 24 -6.919 7.305 0.839 1.00 0.00 O ATOM 385 CB PRO A 24 -9.001 9.321 -0.492 1.00 0.00 C ATOM 386 CG PRO A 24 -10.511 9.145 -0.460 1.00 0.00 C ATOM 387 CD PRO A 24 -10.744 8.118 -1.564 1.00 0.00 C ATOM 0 HA PRO A 24 -7.603 7.980 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.613 9.657 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.696 10.060 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.858 8.786 0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.033 10.081 -0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.647 7.538 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.881 8.609 -2.528 1.00 0.00 H new ATOM 395 N MET A 25 -8.916 6.272 0.936 1.00 0.00 N ATOM 396 CA MET A 25 -8.578 5.455 2.096 1.00 0.00 C ATOM 397 C MET A 25 -7.421 4.539 1.716 1.00 0.00 C ATOM 398 O MET A 25 -6.514 4.369 2.519 1.00 0.00 O ATOM 399 CB MET A 25 -9.779 4.630 2.571 1.00 0.00 C ATOM 400 CG MET A 25 -10.818 5.488 3.297 1.00 0.00 C ATOM 401 SD MET A 25 -10.410 6.093 4.957 1.00 0.00 S ATOM 402 CE MET A 25 -10.259 4.549 5.884 1.00 0.00 C ATOM 0 H MET A 25 -9.865 6.129 0.590 1.00 0.00 H new ATOM 0 HA MET A 25 -8.290 6.106 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.246 4.144 1.714 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.434 3.839 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.034 6.353 2.670 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.738 4.909 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.187 4.770 6.949 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.135 3.927 5.700 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.363 4.018 5.563 1.00 0.00 H new ATOM 412 N MET A 26 -7.502 3.872 0.561 1.00 0.00 N ATOM 413 CA MET A 26 -6.438 2.999 0.075 1.00 0.00 C ATOM 414 C MET A 26 -5.283 3.822 -0.479 1.00 0.00 C ATOM 415 O MET A 26 -4.130 3.547 -0.176 1.00 0.00 O ATOM 416 CB MET A 26 -6.970 2.078 -1.035 1.00 0.00 C ATOM 417 CG MET A 26 -5.889 1.306 -1.809 1.00 0.00 C ATOM 418 SD MET A 26 -6.480 0.414 -3.269 1.00 0.00 S ATOM 419 CE MET A 26 -6.558 1.799 -4.444 1.00 0.00 C ATOM 0 H MET A 26 -8.309 3.924 -0.061 1.00 0.00 H new ATOM 0 HA MET A 26 -6.086 2.398 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.661 1.361 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.543 2.678 -1.741 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.115 2.008 -2.120 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.419 0.593 -1.132 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.906 1.436 -5.411 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.248 2.555 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.566 2.237 -4.556 1.00 0.00 H new ATOM 429 N GLU A 27 -5.596 4.825 -1.294 1.00 0.00 N ATOM 430 CA GLU A 27 -4.616 5.659 -1.964 1.00 0.00 C ATOM 431 C GLU A 27 -3.583 6.264 -1.029 1.00 0.00 C ATOM 432 O GLU A 27 -2.403 6.069 -1.302 1.00 0.00 O ATOM 433 CB GLU A 27 -5.374 6.725 -2.743 1.00 0.00 C ATOM 434 CG GLU A 27 -4.523 7.530 -3.720 1.00 0.00 C ATOM 435 CD GLU A 27 -5.474 8.157 -4.733 1.00 0.00 C ATOM 436 OE1 GLU A 27 -6.250 9.068 -4.374 1.00 0.00 O ATOM 437 OE2 GLU A 27 -5.568 7.618 -5.866 1.00 0.00 O ATOM 0 H GLU A 27 -6.559 5.082 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.028 5.035 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.181 6.245 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.837 7.412 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.958 8.300 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.798 6.887 -4.219 1.00 0.00 H new ATOM 444 N GLN A 28 -3.985 6.922 0.062 1.00 0.00 N ATOM 445 CA GLN A 28 -3.018 7.522 0.977 1.00 0.00 C ATOM 446 C GLN A 28 -2.104 6.462 1.591 1.00 0.00 C ATOM 447 O GLN A 28 -0.907 6.684 1.727 1.00 0.00 O ATOM 448 CB GLN A 28 -3.759 8.311 2.070 1.00 0.00 C ATOM 449 CG GLN A 28 -2.868 8.798 3.228 1.00 0.00 C ATOM 450 CD GLN A 28 -1.679 9.652 2.778 1.00 0.00 C ATOM 451 OE1 GLN A 28 -1.848 10.663 2.100 1.00 0.00 O ATOM 452 NE2 GLN A 28 -0.470 9.304 3.180 1.00 0.00 N ATOM 0 H GLN A 28 -4.961 7.050 0.329 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.385 8.208 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.241 9.175 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.551 7.683 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.476 9.377 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.495 7.932 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.342 8.463 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.336 9.877 2.928 1.00 0.00 H new ATOM 461 N GLU A 29 -2.649 5.314 1.980 1.00 0.00 N ATOM 462 CA GLU A 29 -1.849 4.263 2.591 1.00 0.00 C ATOM 463 C GLU A 29 -0.857 3.673 1.589 1.00 0.00 C ATOM 464 O GLU A 29 0.251 3.302 1.968 1.00 0.00 O ATOM 465 CB GLU A 29 -2.762 3.171 3.153 1.00 0.00 C ATOM 466 CG GLU A 29 -3.844 3.699 4.100 1.00 0.00 C ATOM 467 CD GLU A 29 -3.310 4.325 5.380 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.811 3.587 6.262 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.501 5.542 5.581 1.00 0.00 O ATOM 0 H GLU A 29 -3.639 5.090 1.883 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.275 4.699 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.240 2.648 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.153 2.439 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.443 4.440 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.511 2.878 4.363 1.00 0.00 H new ATOM 476 N ILE A 30 -1.249 3.555 0.317 1.00 0.00 N ATOM 477 CA ILE A 30 -0.397 3.019 -0.717 1.00 0.00 C ATOM 478 C ILE A 30 0.690 4.051 -0.959 1.00 0.00 C ATOM 479 O ILE A 30 1.856 3.687 -0.881 1.00 0.00 O ATOM 480 CB ILE A 30 -1.229 2.716 -1.994 1.00 0.00 C ATOM 481 CG1 ILE A 30 -1.750 1.269 -2.071 1.00 0.00 C ATOM 482 CG2 ILE A 30 -0.412 2.919 -3.283 1.00 0.00 C ATOM 483 CD1 ILE A 30 -2.453 0.717 -0.844 1.00 0.00 C ATOM 0 H ILE A 30 -2.173 3.834 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 30 0.056 2.072 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.061 3.416 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.439 1.203 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.906 0.618 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.036 2.695 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.071 3.953 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.451 2.253 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.767 -0.309 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.770 0.735 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.327 1.328 -0.620 1.00 0.00 H new ATOM 495 N GLU A 31 0.320 5.305 -1.246 1.00 0.00 N ATOM 496 CA GLU A 31 1.248 6.387 -1.531 1.00 0.00 C ATOM 497 C GLU A 31 2.286 6.464 -0.426 1.00 0.00 C ATOM 498 O GLU A 31 3.476 6.497 -0.732 1.00 0.00 O ATOM 499 CB GLU A 31 0.495 7.706 -1.828 1.00 0.00 C ATOM 500 CG GLU A 31 0.526 8.813 -0.758 1.00 0.00 C ATOM 501 CD GLU A 31 1.884 9.525 -0.695 1.00 0.00 C ATOM 502 OE1 GLU A 31 2.335 9.973 -1.776 1.00 0.00 O ATOM 503 OE2 GLU A 31 2.471 9.643 0.403 1.00 0.00 O ATOM 0 H GLU A 31 -0.657 5.594 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 31 1.801 6.188 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.901 8.122 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.549 7.458 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.255 9.543 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.300 8.380 0.216 1.00 0.00 H new ATOM 510 N GLU A 32 1.844 6.383 0.827 1.00 0.00 N ATOM 511 CA GLU A 32 2.713 6.432 1.977 1.00 0.00 C ATOM 512 C GLU A 32 3.706 5.279 1.892 1.00 0.00 C ATOM 513 O GLU A 32 4.899 5.511 2.064 1.00 0.00 O ATOM 514 CB GLU A 32 1.885 6.425 3.267 1.00 0.00 C ATOM 515 CG GLU A 32 2.760 6.560 4.515 1.00 0.00 C ATOM 516 CD GLU A 32 1.910 6.578 5.785 1.00 0.00 C ATOM 517 OE1 GLU A 32 1.391 5.504 6.176 1.00 0.00 O ATOM 518 OE2 GLU A 32 1.836 7.633 6.453 1.00 0.00 O ATOM 0 H GLU A 32 0.857 6.280 1.064 1.00 0.00 H new ATOM 0 HA GLU A 32 3.286 7.359 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.165 7.243 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.313 5.499 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.467 5.731 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.347 7.476 4.454 1.00 0.00 H new ATOM 525 N ILE A 33 3.281 4.042 1.603 1.00 0.00 N ATOM 526 CA ILE A 33 4.224 2.934 1.514 1.00 0.00 C ATOM 527 C ILE A 33 5.203 3.161 0.361 1.00 0.00 C ATOM 528 O ILE A 33 6.404 2.921 0.522 1.00 0.00 O ATOM 529 CB ILE A 33 3.488 1.591 1.458 1.00 0.00 C ATOM 530 CG1 ILE A 33 2.678 1.335 2.745 1.00 0.00 C ATOM 531 CG2 ILE A 33 4.506 0.446 1.342 1.00 0.00 C ATOM 532 CD1 ILE A 33 1.602 0.288 2.482 1.00 0.00 C ATOM 0 H ILE A 33 2.307 3.792 1.431 1.00 0.00 H new ATOM 0 HA ILE A 33 4.829 2.894 2.420 1.00 0.00 H new ATOM 0 HB ILE A 33 2.820 1.629 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.341 0.996 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.219 2.263 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.979 -0.507 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.095 0.573 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.168 0.459 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.034 0.112 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.931 0.644 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.070 -0.643 2.162 1.00 0.00 H new ATOM 544 N ARG A 34 4.732 3.631 -0.796 1.00 0.00 N ATOM 545 CA ARG A 34 5.591 3.886 -1.942 1.00 0.00 C ATOM 546 C ARG A 34 6.650 4.893 -1.556 1.00 0.00 C ATOM 547 O ARG A 34 7.829 4.676 -1.847 1.00 0.00 O ATOM 548 CB ARG A 34 4.773 4.398 -3.128 1.00 0.00 C ATOM 549 CG ARG A 34 3.696 3.388 -3.528 1.00 0.00 C ATOM 550 CD ARG A 34 3.227 3.637 -4.942 1.00 0.00 C ATOM 551 NE ARG A 34 2.337 4.804 -5.057 1.00 0.00 N ATOM 552 CZ ARG A 34 1.119 4.819 -5.610 1.00 0.00 C ATOM 553 NH1 ARG A 34 0.574 3.736 -6.151 1.00 0.00 N ATOM 554 NH2 ARG A 34 0.417 5.941 -5.599 1.00 0.00 N ATOM 0 H ARG A 34 3.748 3.843 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 34 6.070 2.955 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.307 5.349 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.433 4.586 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.091 2.376 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.852 3.459 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.094 3.784 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.705 2.752 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 34 2.682 5.686 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.087 2.854 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.357 3.786 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.806 6.782 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.513 5.965 -6.018 1.00 0.00 H new ATOM 568 N GLN A 35 6.235 5.976 -0.909 1.00 0.00 N ATOM 569 CA GLN A 35 7.117 7.040 -0.463 1.00 0.00 C ATOM 570 C GLN A 35 8.117 6.513 0.570 1.00 0.00 C ATOM 571 O GLN A 35 9.332 6.638 0.380 1.00 0.00 O ATOM 572 CB GLN A 35 6.284 8.187 0.129 1.00 0.00 C ATOM 573 CG GLN A 35 5.544 8.971 -0.960 1.00 0.00 C ATOM 574 CD GLN A 35 6.495 9.797 -1.804 1.00 0.00 C ATOM 575 OE1 GLN A 35 7.114 10.745 -1.327 1.00 0.00 O ATOM 576 NE2 GLN A 35 6.699 9.445 -3.063 1.00 0.00 N ATOM 0 H GLN A 35 5.255 6.139 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 35 7.681 7.415 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.563 7.784 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.936 8.862 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.999 8.277 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.805 9.626 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.187 8.658 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.369 9.960 -3.635 1.00 0.00 H new ATOM 585 N LYS A 36 7.632 5.859 1.627 1.00 0.00 N ATOM 586 CA LYS A 36 8.429 5.316 2.722 1.00 0.00 C ATOM 587 C LYS A 36 9.477 4.328 2.235 1.00 0.00 C ATOM 588 O LYS A 36 10.643 4.413 2.634 1.00 0.00 O ATOM 589 CB LYS A 36 7.487 4.820 3.842 1.00 0.00 C ATOM 590 CG LYS A 36 7.175 3.323 3.999 1.00 0.00 C ATOM 591 CD LYS A 36 5.879 3.105 4.808 1.00 0.00 C ATOM 592 CE LYS A 36 5.800 3.821 6.151 1.00 0.00 C ATOM 593 NZ LYS A 36 6.689 3.243 7.169 1.00 0.00 N ATOM 0 H LYS A 36 6.634 5.688 1.746 1.00 0.00 H new ATOM 0 HA LYS A 36 9.039 6.098 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.906 5.161 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.535 5.334 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.074 2.865 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.007 2.826 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.035 3.426 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.758 2.036 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.054 4.872 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.773 3.787 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.589 3.773 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.433 2.248 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.674 3.299 6.841 1.00 0.00 H new ATOM 607 N TYR A 37 9.100 3.367 1.395 1.00 0.00 N ATOM 608 CA TYR A 37 10.063 2.406 0.880 1.00 0.00 C ATOM 609 C TYR A 37 10.971 3.030 -0.183 1.00 0.00 C ATOM 610 O TYR A 37 12.168 2.759 -0.128 1.00 0.00 O ATOM 611 CB TYR A 37 9.405 1.085 0.484 1.00 0.00 C ATOM 612 CG TYR A 37 9.150 0.170 1.674 1.00 0.00 C ATOM 613 CD1 TYR A 37 10.207 -0.266 2.498 1.00 0.00 C ATOM 614 CD2 TYR A 37 7.846 -0.257 1.956 1.00 0.00 C ATOM 615 CE1 TYR A 37 9.947 -1.100 3.599 1.00 0.00 C ATOM 616 CE2 TYR A 37 7.574 -1.121 3.033 1.00 0.00 C ATOM 617 CZ TYR A 37 8.632 -1.548 3.862 1.00 0.00 C ATOM 618 OH TYR A 37 8.411 -2.360 4.933 1.00 0.00 O ATOM 0 H TYR A 37 8.145 3.236 1.061 1.00 0.00 H new ATOM 0 HA TYR A 37 10.738 2.131 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.460 1.292 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.041 0.569 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.220 0.042 2.283 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.032 0.084 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.756 -1.400 4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.564 -1.454 3.223 1.00 0.00 H new ATOM 0 HH TYR A 37 9.034 -3.116 4.904 1.00 0.00 H new ATOM 628 N GLN A 38 10.499 3.910 -1.085 1.00 0.00 N ATOM 629 CA GLN A 38 11.387 4.524 -2.086 1.00 0.00 C ATOM 630 C GLN A 38 12.460 5.333 -1.367 1.00 0.00 C ATOM 631 O GLN A 38 13.619 5.267 -1.765 1.00 0.00 O ATOM 632 CB GLN A 38 10.644 5.421 -3.093 1.00 0.00 C ATOM 633 CG GLN A 38 11.551 6.344 -3.939 1.00 0.00 C ATOM 634 CD GLN A 38 12.654 5.661 -4.759 1.00 0.00 C ATOM 635 OE1 GLN A 38 12.619 4.478 -5.095 1.00 0.00 O ATOM 636 NE2 GLN A 38 13.663 6.430 -5.133 1.00 0.00 N ATOM 0 H GLN A 38 9.525 4.207 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 38 11.831 3.714 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.068 4.786 -3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.930 6.039 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.918 6.909 -4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.021 7.065 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.688 7.410 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.416 6.043 -5.702 1.00 0.00 H new ATOM 645 N SER A 39 12.095 6.068 -0.312 1.00 0.00 N ATOM 646 CA SER A 39 13.043 6.865 0.464 1.00 0.00 C ATOM 647 C SER A 39 14.170 5.948 0.936 1.00 0.00 C ATOM 648 O SER A 39 15.336 6.300 0.826 1.00 0.00 O ATOM 649 CB SER A 39 12.322 7.573 1.619 1.00 0.00 C ATOM 650 OG SER A 39 11.203 8.309 1.139 1.00 0.00 O ATOM 0 H SER A 39 11.134 6.126 0.026 1.00 0.00 H new ATOM 0 HA SER A 39 13.482 7.653 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.992 6.838 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.013 8.244 2.129 1.00 0.00 H new ATOM 0 HG SER A 39 10.394 7.761 1.214 1.00 0.00 H new ATOM 656 N LYS A 40 13.838 4.738 1.400 1.00 0.00 N ATOM 657 CA LYS A 40 14.836 3.771 1.837 1.00 0.00 C ATOM 658 C LYS A 40 15.545 3.138 0.647 1.00 0.00 C ATOM 659 O LYS A 40 16.699 2.760 0.801 1.00 0.00 O ATOM 660 CB LYS A 40 14.223 2.700 2.749 1.00 0.00 C ATOM 661 CG LYS A 40 13.809 3.365 4.064 1.00 0.00 C ATOM 662 CD LYS A 40 13.396 2.392 5.169 1.00 0.00 C ATOM 663 CE LYS A 40 12.060 1.697 4.888 1.00 0.00 C ATOM 664 NZ LYS A 40 10.910 2.621 4.944 1.00 0.00 N ATOM 0 H LYS A 40 12.876 4.409 1.481 1.00 0.00 H new ATOM 0 HA LYS A 40 15.580 4.312 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.359 2.241 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.944 1.904 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.639 3.973 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.979 4.043 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.173 1.637 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.327 2.932 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.098 1.231 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.913 0.897 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.027 2.074 5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.995 3.230 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.897 3.211 4.088 1.00 0.00 H new ATOM 678 N ARG A 41 14.925 3.002 -0.528 1.00 0.00 N ATOM 679 CA ARG A 41 15.557 2.404 -1.705 1.00 0.00 C ATOM 680 C ARG A 41 16.560 3.340 -2.353 1.00 0.00 C ATOM 681 O ARG A 41 17.563 2.873 -2.875 1.00 0.00 O ATOM 682 CB ARG A 41 14.506 1.993 -2.744 1.00 0.00 C ATOM 683 CG ARG A 41 15.080 0.997 -3.772 1.00 0.00 C ATOM 684 CD ARG A 41 15.464 1.644 -5.110 1.00 0.00 C ATOM 685 NE ARG A 41 14.281 2.143 -5.836 1.00 0.00 N ATOM 686 CZ ARG A 41 13.799 1.664 -6.989 1.00 0.00 C ATOM 687 NH1 ARG A 41 14.509 0.847 -7.765 1.00 0.00 N ATOM 688 NH2 ARG A 41 12.578 2.005 -7.379 1.00 0.00 N ATOM 0 H ARG A 41 13.965 3.306 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 41 16.089 1.520 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.651 1.543 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.140 2.880 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.960 0.515 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.345 0.213 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.155 2.468 -4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.990 0.916 -5.728 1.00 0.00 H new ATOM 0 HE ARG A 41 13.782 2.929 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.450 0.569 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.112 0.500 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.014 2.628 -6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.203 1.644 -8.256 1.00 0.00 H new ATOM 702 N GLN A 42 16.312 4.641 -2.337 1.00 0.00 N ATOM 703 CA GLN A 42 17.185 5.642 -2.921 1.00 0.00 C ATOM 704 C GLN A 42 18.635 5.446 -2.441 1.00 0.00 C ATOM 705 O GLN A 42 19.480 5.189 -3.287 1.00 0.00 O ATOM 706 CB GLN A 42 16.616 7.060 -2.747 1.00 0.00 C ATOM 707 CG GLN A 42 17.051 7.965 -3.917 1.00 0.00 C ATOM 708 CD GLN A 42 18.570 8.052 -4.092 1.00 0.00 C ATOM 709 OE1 GLN A 42 19.289 8.409 -3.165 1.00 0.00 O ATOM 710 NE2 GLN A 42 19.096 7.666 -5.243 1.00 0.00 N ATOM 0 H GLN A 42 15.477 5.037 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 42 17.224 5.505 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.528 7.018 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.962 7.484 -1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.608 7.590 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.654 8.967 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.489 7.371 -6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.109 7.663 -5.366 1.00 0.00 H new ATOM 719 N PRO A 43 18.969 5.442 -1.140 1.00 0.00 N ATOM 720 CA PRO A 43 20.344 5.239 -0.699 1.00 0.00 C ATOM 721 C PRO A 43 20.927 3.892 -1.155 1.00 0.00 C ATOM 722 O PRO A 43 22.146 3.759 -1.161 1.00 0.00 O ATOM 723 CB PRO A 43 20.326 5.382 0.825 1.00 0.00 C ATOM 724 CG PRO A 43 18.870 5.169 1.189 1.00 0.00 C ATOM 725 CD PRO A 43 18.121 5.720 -0.006 1.00 0.00 C ATOM 0 HA PRO A 43 21.004 5.978 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.970 4.645 1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.678 6.365 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 43 18.647 4.114 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.605 5.695 2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.147 5.243 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.942 6.790 0.100 1.00 0.00 H new ATOM 733 N ILE A 44 20.106 2.891 -1.494 1.00 0.00 N ATOM 734 CA ILE A 44 20.539 1.579 -1.972 1.00 0.00 C ATOM 735 C ILE A 44 21.020 1.771 -3.411 1.00 0.00 C ATOM 736 O ILE A 44 22.142 1.387 -3.740 1.00 0.00 O ATOM 737 CB ILE A 44 19.394 0.532 -1.906 1.00 0.00 C ATOM 738 CG1 ILE A 44 18.748 0.511 -0.513 1.00 0.00 C ATOM 739 CG2 ILE A 44 19.888 -0.874 -2.281 1.00 0.00 C ATOM 740 CD1 ILE A 44 17.618 -0.508 -0.344 1.00 0.00 C ATOM 0 H ILE A 44 19.091 2.978 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 44 21.337 1.192 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 44 18.643 0.832 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 44 19.520 0.302 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.358 1.505 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.058 -1.579 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.284 -0.862 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.673 -1.180 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.224 -0.449 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.822 -0.290 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 44 18.003 -1.511 -0.526 1.00 0.00 H new ATOM 752 N LEU A 45 20.171 2.367 -4.259 1.00 0.00 N ATOM 753 CA LEU A 45 20.482 2.617 -5.663 1.00 0.00 C ATOM 754 C LEU A 45 21.666 3.560 -5.776 1.00 0.00 C ATOM 755 O LEU A 45 22.539 3.361 -6.617 1.00 0.00 O ATOM 756 CB LEU A 45 19.234 3.046 -6.466 1.00 0.00 C ATOM 757 CG LEU A 45 18.851 4.531 -6.514 1.00 0.00 C ATOM 758 CD1 LEU A 45 19.509 5.253 -7.693 1.00 0.00 C ATOM 759 CD2 LEU A 45 17.326 4.681 -6.628 1.00 0.00 C ATOM 0 H LEU A 45 19.244 2.690 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 45 20.791 1.684 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.373 2.709 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.381 2.500 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 45 19.207 4.985 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.211 6.302 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.593 5.183 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 45 19.192 4.789 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.066 5.739 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.980 4.193 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.849 4.217 -5.765 1.00 0.00 H new ATOM 771 N ASP A 46 21.720 4.534 -4.878 1.00 0.00 N ATOM 772 CA ASP A 46 22.787 5.510 -4.839 1.00 0.00 C ATOM 773 C ASP A 46 24.103 4.846 -4.437 1.00 0.00 C ATOM 774 O ASP A 46 25.146 5.126 -5.027 1.00 0.00 O ATOM 775 CB ASP A 46 22.417 6.589 -3.828 1.00 0.00 C ATOM 776 CG ASP A 46 23.378 7.752 -3.950 1.00 0.00 C ATOM 777 OD1 ASP A 46 23.172 8.580 -4.870 1.00 0.00 O ATOM 778 OD2 ASP A 46 24.318 7.854 -3.134 1.00 0.00 O ATOM 0 H ASP A 46 21.016 4.665 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 46 22.918 5.951 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 46 21.396 6.929 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 46 22.450 6.181 -2.818 1.00 0.00 H new ATOM 783 N ALA A 47 24.045 3.928 -3.465 1.00 0.00 N ATOM 784 CA ALA A 47 25.209 3.222 -2.960 1.00 0.00 C ATOM 785 C ALA A 47 25.834 2.311 -4.007 1.00 0.00 C ATOM 786 O ALA A 47 27.055 2.346 -4.144 1.00 0.00 O ATOM 787 CB ALA A 47 24.856 2.412 -1.715 1.00 0.00 C ATOM 0 H ALA A 47 23.174 3.658 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 47 25.945 3.983 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 47 25.744 1.892 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 24.488 3.081 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 47 24.084 1.683 -1.962 1.00 0.00 H new ATOM 793 N ILE A 48 25.051 1.483 -4.710 1.00 0.00 N ATOM 794 CA ILE A 48 25.607 0.581 -5.725 1.00 0.00 C ATOM 795 C ILE A 48 26.256 1.356 -6.861 1.00 0.00 C ATOM 796 O ILE A 48 27.281 0.936 -7.392 1.00 0.00 O ATOM 797 CB ILE A 48 24.575 -0.435 -6.237 1.00 0.00 C ATOM 798 CG1 ILE A 48 25.213 -1.448 -7.201 1.00 0.00 C ATOM 799 CG2 ILE A 48 23.342 0.227 -6.845 1.00 0.00 C ATOM 800 CD1 ILE A 48 24.402 -2.742 -7.312 1.00 0.00 C ATOM 0 H ILE A 48 24.039 1.419 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 48 26.390 0.000 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 48 24.223 -0.985 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 48 25.307 -0.996 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.222 -1.683 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 48 22.649 -0.541 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 48 22.853 0.846 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 48 23.642 0.849 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 48 24.896 -3.423 -8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 48 24.330 -3.212 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 48 23.401 -2.514 -7.679 1.00 0.00 H new ATOM 812 N GLU A 49 25.676 2.497 -7.218 1.00 0.00 N ATOM 813 CA GLU A 49 26.189 3.336 -8.283 1.00 0.00 C ATOM 814 C GLU A 49 27.522 3.978 -7.873 1.00 0.00 C ATOM 815 O GLU A 49 28.208 4.555 -8.716 1.00 0.00 O ATOM 816 CB GLU A 49 25.106 4.327 -8.732 1.00 0.00 C ATOM 817 CG GLU A 49 24.076 3.534 -9.555 1.00 0.00 C ATOM 818 CD GLU A 49 22.829 4.304 -9.974 1.00 0.00 C ATOM 819 OE1 GLU A 49 22.701 5.521 -9.719 1.00 0.00 O ATOM 820 OE2 GLU A 49 21.973 3.663 -10.634 1.00 0.00 O ATOM 0 H GLU A 49 24.835 2.863 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 49 26.426 2.735 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.631 4.795 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 49 25.541 5.128 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.567 3.159 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.766 2.665 -8.974 1.00 0.00 H new ATOM 827 N ALA A 50 27.870 3.911 -6.584 1.00 0.00 N ATOM 828 CA ALA A 50 29.089 4.436 -5.998 1.00 0.00 C ATOM 829 C ALA A 50 30.128 3.329 -5.708 1.00 0.00 C ATOM 830 O ALA A 50 31.070 3.593 -4.957 1.00 0.00 O ATOM 831 CB ALA A 50 28.728 5.264 -4.757 1.00 0.00 C ATOM 0 H ALA A 50 27.270 3.463 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 50 29.579 5.091 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 50 29.638 5.663 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 28.074 6.087 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 50 28.215 4.630 -4.033 1.00 0.00 H new ATOM 837 N LYS A 51 29.945 2.088 -6.191 1.00 0.00 N ATOM 838 CA LYS A 51 30.894 0.986 -6.001 1.00 0.00 C ATOM 839 C LYS A 51 31.602 0.769 -7.324 1.00 0.00 C ATOM 840 O LYS A 51 32.824 0.549 -7.281 1.00 0.00 O ATOM 841 CB LYS A 51 30.226 -0.336 -5.588 1.00 0.00 C ATOM 842 CG LYS A 51 29.136 -0.211 -4.528 1.00 0.00 C ATOM 843 CD LYS A 51 29.546 0.408 -3.191 1.00 0.00 C ATOM 844 CE LYS A 51 30.721 -0.299 -2.521 1.00 0.00 C ATOM 845 NZ LYS A 51 30.813 0.064 -1.091 1.00 0.00 N ATOM 0 H LYS A 51 29.122 1.822 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 51 31.571 1.263 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.795 -0.800 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 51 30.996 -1.013 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 51 28.324 0.385 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 28.735 -1.206 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 51 29.806 1.454 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.691 0.391 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.604 -1.378 -2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.648 -0.031 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 31.813 0.140 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.340 0.977 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 30.351 -0.669 -0.516 1.00 0.00 H new TER 859 LYS A 51 ATOM 860 N GLY B 101 14.353 3.941 13.876 1.00 0.00 N ATOM 861 CA GLY B 101 15.107 2.687 13.815 1.00 0.00 C ATOM 862 C GLY B 101 16.586 2.989 13.856 1.00 0.00 C ATOM 863 O GLY B 101 17.101 3.358 14.908 1.00 0.00 O ATOM 0 HA2 GLY B 101 14.833 2.044 14.651 1.00 0.00 H new ATOM 0 HA3 GLY B 101 14.860 2.145 12.902 1.00 0.00 H new ATOM 867 N SER B 102 17.272 2.785 12.736 1.00 0.00 N ATOM 868 CA SER B 102 18.693 3.023 12.526 1.00 0.00 C ATOM 869 C SER B 102 18.820 3.697 11.156 1.00 0.00 C ATOM 870 O SER B 102 17.809 3.840 10.453 1.00 0.00 O ATOM 871 CB SER B 102 19.486 1.715 12.663 1.00 0.00 C ATOM 872 OG SER B 102 18.915 0.623 11.953 1.00 0.00 O ATOM 0 H SER B 102 16.818 2.425 11.896 1.00 0.00 H new ATOM 0 HA SER B 102 19.124 3.681 13.281 1.00 0.00 H new ATOM 0 HB2 SER B 102 20.503 1.878 12.305 1.00 0.00 H new ATOM 0 HB3 SER B 102 19.558 1.453 13.719 1.00 0.00 H new ATOM 0 HG SER B 102 19.468 -0.176 12.081 1.00 0.00 H new ATOM 878 N ASP B 103 20.017 4.130 10.753 1.00 0.00 N ATOM 879 CA ASP B 103 20.193 4.794 9.468 1.00 0.00 C ATOM 880 C ASP B 103 20.933 3.928 8.476 1.00 0.00 C ATOM 881 O ASP B 103 22.003 3.387 8.746 1.00 0.00 O ATOM 882 CB ASP B 103 20.822 6.182 9.621 1.00 0.00 C ATOM 883 CG ASP B 103 19.717 7.228 9.696 1.00 0.00 C ATOM 884 OD1 ASP B 103 18.880 7.278 8.769 1.00 0.00 O ATOM 885 OD2 ASP B 103 19.658 7.987 10.688 1.00 0.00 O ATOM 0 H ASP B 103 20.873 4.031 11.299 1.00 0.00 H new ATOM 0 HA ASP B 103 19.197 4.951 9.053 1.00 0.00 H new ATOM 0 HB2 ASP B 103 21.436 6.219 10.521 1.00 0.00 H new ATOM 0 HB3 ASP B 103 21.480 6.391 8.778 1.00 0.00 H new ATOM 890 N TYR B 104 20.316 3.781 7.307 1.00 0.00 N ATOM 891 CA TYR B 104 20.848 3.004 6.202 1.00 0.00 C ATOM 892 C TYR B 104 21.828 3.855 5.405 1.00 0.00 C ATOM 893 O TYR B 104 22.550 3.341 4.570 1.00 0.00 O ATOM 894 CB TYR B 104 19.702 2.523 5.305 1.00 0.00 C ATOM 895 CG TYR B 104 18.835 1.445 5.926 1.00 0.00 C ATOM 896 CD1 TYR B 104 19.237 0.101 5.824 1.00 0.00 C ATOM 897 CD2 TYR B 104 17.656 1.770 6.626 1.00 0.00 C ATOM 898 CE1 TYR B 104 18.519 -0.910 6.479 1.00 0.00 C ATOM 899 CE2 TYR B 104 16.916 0.758 7.267 1.00 0.00 C ATOM 900 CZ TYR B 104 17.365 -0.583 7.223 1.00 0.00 C ATOM 901 OH TYR B 104 16.693 -1.558 7.892 1.00 0.00 O ATOM 0 H TYR B 104 19.413 4.209 7.102 1.00 0.00 H new ATOM 0 HA TYR B 104 21.374 2.132 6.590 1.00 0.00 H new ATOM 0 HB2 TYR B 104 19.074 3.376 5.049 1.00 0.00 H new ATOM 0 HB3 TYR B 104 20.120 2.144 4.372 1.00 0.00 H new ATOM 0 HD1 TYR B 104 20.106 -0.155 5.236 1.00 0.00 H new ATOM 0 HD2 TYR B 104 17.320 2.795 6.671 1.00 0.00 H new ATOM 0 HE1 TYR B 104 18.848 -1.937 6.414 1.00 0.00 H new ATOM 0 HE2 TYR B 104 16.005 1.005 7.792 1.00 0.00 H new ATOM 0 HH TYR B 104 15.923 -1.166 8.355 1.00 0.00 H new ATOM 911 N GLU B 105 21.919 5.148 5.689 1.00 0.00 N ATOM 912 CA GLU B 105 22.797 6.082 5.004 1.00 0.00 C ATOM 913 C GLU B 105 24.277 5.692 5.058 1.00 0.00 C ATOM 914 O GLU B 105 25.068 6.152 4.239 1.00 0.00 O ATOM 915 CB GLU B 105 22.561 7.482 5.581 1.00 0.00 C ATOM 916 CG GLU B 105 21.096 7.916 5.742 1.00 0.00 C ATOM 917 CD GLU B 105 20.200 7.500 4.576 1.00 0.00 C ATOM 918 OE1 GLU B 105 20.650 7.577 3.415 1.00 0.00 O ATOM 919 OE2 GLU B 105 19.071 7.034 4.866 1.00 0.00 O ATOM 0 H GLU B 105 21.366 5.587 6.425 1.00 0.00 H new ATOM 0 HA GLU B 105 22.547 6.062 3.943 1.00 0.00 H new ATOM 0 HB2 GLU B 105 23.042 7.535 6.558 1.00 0.00 H new ATOM 0 HB3 GLU B 105 23.063 8.205 4.939 1.00 0.00 H new ATOM 0 HG2 GLU B 105 20.699 7.490 6.663 1.00 0.00 H new ATOM 0 HG3 GLU B 105 21.057 9.000 5.850 1.00 0.00 H new ATOM 926 N PHE B 106 24.647 4.879 6.045 1.00 0.00 N ATOM 927 CA PHE B 106 25.988 4.372 6.286 1.00 0.00 C ATOM 928 C PHE B 106 26.240 3.070 5.514 1.00 0.00 C ATOM 929 O PHE B 106 27.330 2.498 5.616 1.00 0.00 O ATOM 930 CB PHE B 106 26.147 4.162 7.800 1.00 0.00 C ATOM 931 CG PHE B 106 25.946 5.443 8.588 1.00 0.00 C ATOM 932 CD1 PHE B 106 24.647 5.890 8.902 1.00 0.00 C ATOM 933 CD2 PHE B 106 27.059 6.226 8.940 1.00 0.00 C ATOM 934 CE1 PHE B 106 24.460 7.138 9.518 1.00 0.00 C ATOM 935 CE2 PHE B 106 26.871 7.455 9.592 1.00 0.00 C ATOM 936 CZ PHE B 106 25.572 7.919 9.870 1.00 0.00 C ATOM 0 H PHE B 106 23.977 4.539 6.735 1.00 0.00 H new ATOM 0 HA PHE B 106 26.727 5.090 5.929 1.00 0.00 H new ATOM 0 HB2 PHE B 106 25.429 3.415 8.137 1.00 0.00 H new ATOM 0 HB3 PHE B 106 27.141 3.764 8.006 1.00 0.00 H new ATOM 0 HD1 PHE B 106 23.793 5.271 8.668 1.00 0.00 H new ATOM 0 HD2 PHE B 106 28.057 5.883 8.709 1.00 0.00 H new ATOM 0 HE1 PHE B 106 23.462 7.497 9.721 1.00 0.00 H new ATOM 0 HE2 PHE B 106 27.727 8.047 9.881 1.00 0.00 H new ATOM 0 HZ PHE B 106 25.431 8.874 10.353 1.00 0.00 H new ATOM 946 N LEU B 107 25.259 2.569 4.754 1.00 0.00 N ATOM 947 CA LEU B 107 25.375 1.337 3.984 1.00 0.00 C ATOM 948 C LEU B 107 26.401 1.464 2.862 1.00 0.00 C ATOM 949 O LEU B 107 26.882 0.441 2.394 1.00 0.00 O ATOM 950 CB LEU B 107 23.999 0.841 3.490 1.00 0.00 C ATOM 951 CG LEU B 107 23.477 1.430 2.152 1.00 0.00 C ATOM 952 CD1 LEU B 107 23.937 0.551 0.982 1.00 0.00 C ATOM 953 CD2 LEU B 107 21.940 1.467 2.109 1.00 0.00 C ATOM 0 H LEU B 107 24.349 3.020 4.659 1.00 0.00 H new ATOM 0 HA LEU B 107 25.754 0.565 4.654 1.00 0.00 H new ATOM 0 HB2 LEU B 107 24.046 -0.243 3.387 1.00 0.00 H new ATOM 0 HB3 LEU B 107 23.263 1.056 4.265 1.00 0.00 H new ATOM 0 HG LEU B 107 23.873 2.443 2.074 1.00 0.00 H new ATOM 0 HD11 LEU B 107 23.568 0.969 0.046 1.00 0.00 H new ATOM 0 HD12 LEU B 107 25.026 0.516 0.959 1.00 0.00 H new ATOM 0 HD13 LEU B 107 23.544 -0.458 1.109 1.00 0.00 H new ATOM 0 HD21 LEU B 107 21.613 1.885 1.157 1.00 0.00 H new ATOM 0 HD22 LEU B 107 21.549 0.455 2.214 1.00 0.00 H new ATOM 0 HD23 LEU B 107 21.568 2.087 2.925 1.00 0.00 H new ATOM 965 N LYS B 108 26.810 2.678 2.473 1.00 0.00 N ATOM 966 CA LYS B 108 27.805 2.891 1.409 1.00 0.00 C ATOM 967 C LYS B 108 29.134 2.144 1.639 1.00 0.00 C ATOM 968 O LYS B 108 29.931 2.004 0.709 1.00 0.00 O ATOM 969 CB LYS B 108 28.044 4.401 1.214 1.00 0.00 C ATOM 970 CG LYS B 108 26.784 5.104 0.685 1.00 0.00 C ATOM 971 CD LYS B 108 27.012 6.571 0.299 1.00 0.00 C ATOM 972 CE LYS B 108 25.726 7.121 -0.334 1.00 0.00 C ATOM 973 NZ LYS B 108 25.830 8.546 -0.699 1.00 0.00 N ATOM 0 H LYS B 108 26.461 3.543 2.886 1.00 0.00 H new ATOM 0 HA LYS B 108 27.388 2.462 0.498 1.00 0.00 H new ATOM 0 HB2 LYS B 108 28.342 4.849 2.162 1.00 0.00 H new ATOM 0 HB3 LYS B 108 28.868 4.554 0.517 1.00 0.00 H new ATOM 0 HG2 LYS B 108 26.415 4.562 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS B 108 26.005 5.055 1.446 1.00 0.00 H new ATOM 0 HD2 LYS B 108 27.280 7.156 1.179 1.00 0.00 H new ATOM 0 HD3 LYS B 108 27.843 6.652 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS B 108 25.488 6.539 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS B 108 24.899 6.989 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 25.361 8.705 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 25.370 9.126 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 26.832 8.813 -0.773 1.00 0.00 H new ATOM 987 N SER B 109 29.420 1.671 2.854 1.00 0.00 N ATOM 988 CA SER B 109 30.645 0.942 3.167 1.00 0.00 C ATOM 989 C SER B 109 30.497 -0.568 2.934 1.00 0.00 C ATOM 990 O SER B 109 31.501 -1.275 2.961 1.00 0.00 O ATOM 991 CB SER B 109 31.030 1.221 4.623 1.00 0.00 C ATOM 992 OG SER B 109 31.179 2.616 4.836 1.00 0.00 O ATOM 0 H SER B 109 28.799 1.786 3.655 1.00 0.00 H new ATOM 0 HA SER B 109 31.431 1.289 2.496 1.00 0.00 H new ATOM 0 HB2 SER B 109 30.265 0.824 5.291 1.00 0.00 H new ATOM 0 HB3 SER B 109 31.961 0.708 4.864 1.00 0.00 H new ATOM 0 HG SER B 109 31.423 2.780 5.771 1.00 0.00 H new ATOM 998 N TRP B 110 29.278 -1.074 2.733 1.00 0.00 N ATOM 999 CA TRP B 110 28.995 -2.485 2.507 1.00 0.00 C ATOM 1000 C TRP B 110 29.451 -2.920 1.118 1.00 0.00 C ATOM 1001 O TRP B 110 29.790 -2.082 0.273 1.00 0.00 O ATOM 1002 CB TRP B 110 27.480 -2.694 2.618 1.00 0.00 C ATOM 1003 CG TRP B 110 26.857 -2.623 3.983 1.00 0.00 C ATOM 1004 CD1 TRP B 110 25.549 -2.879 4.197 1.00 0.00 C ATOM 1005 CD2 TRP B 110 27.426 -2.329 5.308 1.00 0.00 C ATOM 1006 NE1 TRP B 110 25.261 -2.755 5.537 1.00 0.00 N ATOM 1007 CE2 TRP B 110 26.376 -2.432 6.269 1.00 0.00 C ATOM 1008 CE3 TRP B 110 28.703 -1.995 5.823 1.00 0.00 C ATOM 1009 CZ2 TRP B 110 26.576 -2.224 7.640 1.00 0.00 C ATOM 1010 CZ3 TRP B 110 28.920 -1.793 7.200 1.00 0.00 C ATOM 1011 CH2 TRP B 110 27.861 -1.918 8.113 1.00 0.00 C ATOM 0 H TRP B 110 28.440 -0.493 2.724 1.00 0.00 H new ATOM 0 HA TRP B 110 29.531 -3.078 3.248 1.00 0.00 H new ATOM 0 HB2 TRP B 110 26.993 -1.948 1.989 1.00 0.00 H new ATOM 0 HB3 TRP B 110 27.246 -3.670 2.194 1.00 0.00 H new ATOM 0 HD1 TRP B 110 24.835 -3.142 3.431 1.00 0.00 H new ATOM 0 HE1 TRP B 110 24.332 -2.887 5.937 1.00 0.00 H new ATOM 0 HE3 TRP B 110 29.534 -1.892 5.140 1.00 0.00 H new ATOM 0 HZ2 TRP B 110 25.747 -2.299 8.328 1.00 0.00 H new ATOM 0 HZ3 TRP B 110 29.908 -1.540 7.556 1.00 0.00 H new ATOM 0 HH2 TRP B 110 28.034 -1.780 9.170 1.00 0.00 H new ATOM 1022 N THR B 111 29.499 -4.233 0.890 1.00 0.00 N ATOM 1023 CA THR B 111 29.880 -4.744 -0.414 1.00 0.00 C ATOM 1024 C THR B 111 28.676 -4.586 -1.342 1.00 0.00 C ATOM 1025 O THR B 111 27.579 -4.187 -0.920 1.00 0.00 O ATOM 1026 CB THR B 111 30.352 -6.205 -0.355 1.00 0.00 C ATOM 1027 OG1 THR B 111 29.335 -7.113 0.014 1.00 0.00 O ATOM 1028 CG2 THR B 111 31.536 -6.421 0.572 1.00 0.00 C ATOM 0 H THR B 111 29.281 -4.948 1.584 1.00 0.00 H new ATOM 0 HA THR B 111 30.731 -4.177 -0.791 1.00 0.00 H new ATOM 0 HB THR B 111 30.657 -6.409 -1.381 1.00 0.00 H new ATOM 0 HG1 THR B 111 29.129 -7.699 -0.744 1.00 0.00 H new ATOM 0 HG21 THR B 111 31.816 -7.474 0.565 1.00 0.00 H new ATOM 0 HG22 THR B 111 32.379 -5.819 0.232 1.00 0.00 H new ATOM 0 HG23 THR B 111 31.264 -6.125 1.585 1.00 0.00 H new ATOM 1036 N VAL B 112 28.887 -4.860 -2.626 1.00 0.00 N ATOM 1037 CA VAL B 112 27.814 -4.770 -3.592 1.00 0.00 C ATOM 1038 C VAL B 112 26.778 -5.857 -3.283 1.00 0.00 C ATOM 1039 O VAL B 112 25.595 -5.613 -3.467 1.00 0.00 O ATOM 1040 CB VAL B 112 28.378 -4.816 -5.029 1.00 0.00 C ATOM 1041 CG1 VAL B 112 29.142 -6.103 -5.371 1.00 0.00 C ATOM 1042 CG2 VAL B 112 27.266 -4.590 -6.058 1.00 0.00 C ATOM 0 H VAL B 112 29.787 -5.144 -3.013 1.00 0.00 H new ATOM 0 HA VAL B 112 27.299 -3.812 -3.519 1.00 0.00 H new ATOM 0 HB VAL B 112 29.106 -4.006 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL B 112 29.503 -6.050 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL B 112 29.989 -6.214 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL B 112 28.477 -6.960 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL B 112 27.687 -4.627 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL B 112 26.510 -5.368 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL B 112 26.809 -3.615 -5.892 1.00 0.00 H new ATOM 1052 N GLU B 113 27.169 -7.011 -2.732 1.00 0.00 N ATOM 1053 CA GLU B 113 26.235 -8.095 -2.444 1.00 0.00 C ATOM 1054 C GLU B 113 25.278 -7.719 -1.318 1.00 0.00 C ATOM 1055 O GLU B 113 24.059 -7.778 -1.481 1.00 0.00 O ATOM 1056 CB GLU B 113 26.975 -9.386 -2.046 1.00 0.00 C ATOM 1057 CG GLU B 113 27.958 -9.933 -3.094 1.00 0.00 C ATOM 1058 CD GLU B 113 29.230 -9.096 -3.250 1.00 0.00 C ATOM 1059 OE1 GLU B 113 29.563 -8.346 -2.299 1.00 0.00 O ATOM 1060 OE2 GLU B 113 29.821 -9.152 -4.348 1.00 0.00 O ATOM 0 H GLU B 113 28.135 -7.215 -2.476 1.00 0.00 H new ATOM 0 HA GLU B 113 25.670 -8.268 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU B 113 27.522 -9.201 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU B 113 26.235 -10.157 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU B 113 28.236 -10.951 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU B 113 27.452 -9.989 -4.058 1.00 0.00 H new ATOM 1067 N ASP B 114 25.826 -7.299 -0.178 1.00 0.00 N ATOM 1068 CA ASP B 114 25.046 -6.929 1.000 1.00 0.00 C ATOM 1069 C ASP B 114 24.018 -5.862 0.662 1.00 0.00 C ATOM 1070 O ASP B 114 22.852 -5.959 1.061 1.00 0.00 O ATOM 1071 CB ASP B 114 25.961 -6.396 2.116 1.00 0.00 C ATOM 1072 CG ASP B 114 26.634 -7.467 2.968 1.00 0.00 C ATOM 1073 OD1 ASP B 114 26.197 -8.642 2.979 1.00 0.00 O ATOM 1074 OD2 ASP B 114 27.654 -7.130 3.610 1.00 0.00 O ATOM 0 H ASP B 114 26.833 -7.206 -0.046 1.00 0.00 H new ATOM 0 HA ASP B 114 24.534 -7.828 1.343 1.00 0.00 H new ATOM 0 HB2 ASP B 114 26.734 -5.774 1.665 1.00 0.00 H new ATOM 0 HB3 ASP B 114 25.373 -5.751 2.769 1.00 0.00 H new ATOM 1079 N LEU B 115 24.455 -4.833 -0.068 1.00 0.00 N ATOM 1080 CA LEU B 115 23.586 -3.736 -0.447 1.00 0.00 C ATOM 1081 C LEU B 115 22.550 -4.196 -1.478 1.00 0.00 C ATOM 1082 O LEU B 115 21.372 -3.883 -1.311 1.00 0.00 O ATOM 1083 CB LEU B 115 24.416 -2.496 -0.858 1.00 0.00 C ATOM 1084 CG LEU B 115 24.708 -2.339 -2.356 1.00 0.00 C ATOM 1085 CD1 LEU B 115 23.474 -1.768 -3.070 1.00 0.00 C ATOM 1086 CD2 LEU B 115 25.904 -1.432 -2.644 1.00 0.00 C ATOM 0 H LEU B 115 25.413 -4.744 -0.406 1.00 0.00 H new ATOM 0 HA LEU B 115 23.002 -3.411 0.414 1.00 0.00 H new ATOM 0 HB2 LEU B 115 23.890 -1.604 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU B 115 25.367 -2.529 -0.326 1.00 0.00 H new ATOM 0 HG LEU B 115 24.952 -3.334 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU B 115 23.687 -1.659 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU B 115 22.631 -2.445 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU B 115 23.227 -0.794 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU B 115 26.057 -1.363 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU B 115 25.712 -0.438 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU B 115 26.797 -1.848 -2.177 1.00 0.00 H new ATOM 1098 N GLN B 116 22.958 -4.942 -2.509 1.00 0.00 N ATOM 1099 CA GLN B 116 22.093 -5.439 -3.573 1.00 0.00 C ATOM 1100 C GLN B 116 20.977 -6.296 -2.990 1.00 0.00 C ATOM 1101 O GLN B 116 19.827 -6.189 -3.424 1.00 0.00 O ATOM 1102 CB GLN B 116 22.972 -6.173 -4.595 1.00 0.00 C ATOM 1103 CG GLN B 116 22.260 -6.767 -5.804 1.00 0.00 C ATOM 1104 CD GLN B 116 23.250 -6.938 -6.953 1.00 0.00 C ATOM 1105 OE1 GLN B 116 23.906 -7.971 -7.062 1.00 0.00 O ATOM 1106 NE2 GLN B 116 23.398 -5.933 -7.803 1.00 0.00 N ATOM 0 H GLN B 116 23.931 -5.223 -2.626 1.00 0.00 H new ATOM 0 HA GLN B 116 21.589 -4.624 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN B 116 23.731 -5.477 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN B 116 23.496 -6.977 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN B 116 21.822 -7.730 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN B 116 21.441 -6.117 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN B 116 22.842 -5.085 -7.692 1.00 0.00 H new ATOM 0 HE22 GLN B 116 24.068 -6.007 -8.568 1.00 0.00 H new ATOM 1115 N LYS B 117 21.276 -7.111 -1.976 1.00 0.00 N ATOM 1116 CA LYS B 117 20.269 -7.948 -1.337 1.00 0.00 C ATOM 1117 C LYS B 117 19.166 -7.087 -0.721 1.00 0.00 C ATOM 1118 O LYS B 117 18.017 -7.523 -0.721 1.00 0.00 O ATOM 1119 CB LYS B 117 20.931 -8.875 -0.308 1.00 0.00 C ATOM 1120 CG LYS B 117 21.169 -10.294 -0.842 1.00 0.00 C ATOM 1121 CD LYS B 117 21.963 -10.407 -2.153 1.00 0.00 C ATOM 1122 CE LYS B 117 22.402 -11.849 -2.467 1.00 0.00 C ATOM 1123 NZ LYS B 117 21.295 -12.834 -2.563 1.00 0.00 N ATOM 0 H LYS B 117 22.212 -7.206 -1.582 1.00 0.00 H new ATOM 0 HA LYS B 117 19.795 -8.580 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS B 117 21.884 -8.445 0.000 1.00 0.00 H new ATOM 0 HB3 LYS B 117 20.303 -8.928 0.581 1.00 0.00 H new ATOM 0 HG2 LYS B 117 21.693 -10.864 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS B 117 20.200 -10.771 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS B 117 21.353 -10.032 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS B 117 22.845 -9.769 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS B 117 22.951 -11.849 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS B 117 23.096 -12.178 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 21.685 -13.774 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 20.782 -12.869 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 20.642 -12.550 -3.321 1.00 0.00 H new ATOM 1137 N ARG B 118 19.468 -5.886 -0.203 1.00 0.00 N ATOM 1138 CA ARG B 118 18.428 -5.030 0.367 1.00 0.00 C ATOM 1139 C ARG B 118 17.485 -4.598 -0.744 1.00 0.00 C ATOM 1140 O ARG B 118 16.288 -4.623 -0.499 1.00 0.00 O ATOM 1141 CB ARG B 118 18.975 -3.772 1.048 1.00 0.00 C ATOM 1142 CG ARG B 118 19.679 -3.984 2.391 1.00 0.00 C ATOM 1143 CD ARG B 118 18.769 -3.746 3.607 1.00 0.00 C ATOM 1144 NE ARG B 118 18.088 -4.962 4.075 1.00 0.00 N ATOM 1145 CZ ARG B 118 18.591 -5.818 4.968 1.00 0.00 C ATOM 1146 NH1 ARG B 118 19.844 -5.722 5.394 1.00 0.00 N ATOM 1147 NH2 ARG B 118 17.820 -6.776 5.441 1.00 0.00 N ATOM 0 H ARG B 118 20.409 -5.495 -0.169 1.00 0.00 H new ATOM 0 HA ARG B 118 17.921 -5.619 1.132 1.00 0.00 H new ATOM 0 HB2 ARG B 118 19.675 -3.290 0.366 1.00 0.00 H new ATOM 0 HB3 ARG B 118 18.149 -3.077 1.200 1.00 0.00 H new ATOM 0 HG2 ARG B 118 20.067 -5.002 2.432 1.00 0.00 H new ATOM 0 HG3 ARG B 118 20.536 -3.313 2.452 1.00 0.00 H new ATOM 0 HD2 ARG B 118 19.365 -3.336 4.422 1.00 0.00 H new ATOM 0 HD3 ARG B 118 18.021 -2.996 3.350 1.00 0.00 H new ATOM 0 HE ARG B 118 17.166 -5.166 3.690 1.00 0.00 H new ATOM 0 HH11 ARG B 118 20.448 -4.981 5.039 1.00 0.00 H new ATOM 0 HH12 ARG B 118 20.203 -6.389 6.077 1.00 0.00 H new ATOM 0 HH21 ARG B 118 16.854 -6.856 5.124 1.00 0.00 H new ATOM 0 HH22 ARG B 118 18.189 -7.438 6.124 1.00 0.00 H new ATOM 1161 N LEU B 119 17.981 -4.216 -1.933 1.00 0.00 N ATOM 1162 CA LEU B 119 17.126 -3.798 -3.047 1.00 0.00 C ATOM 1163 C LEU B 119 16.109 -4.890 -3.348 1.00 0.00 C ATOM 1164 O LEU B 119 14.914 -4.624 -3.427 1.00 0.00 O ATOM 1165 CB LEU B 119 17.939 -3.496 -4.326 1.00 0.00 C ATOM 1166 CG LEU B 119 17.046 -3.350 -5.578 1.00 0.00 C ATOM 1167 CD1 LEU B 119 16.073 -2.176 -5.457 1.00 0.00 C ATOM 1168 CD2 LEU B 119 17.884 -3.266 -6.848 1.00 0.00 C ATOM 0 H LEU B 119 18.979 -4.190 -2.144 1.00 0.00 H new ATOM 0 HA LEU B 119 16.623 -2.879 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU B 119 18.508 -2.578 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.661 -4.296 -4.491 1.00 0.00 H new ATOM 0 HG LEU B 119 16.437 -4.251 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU B 119 15.466 -2.112 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU B 119 15.425 -2.328 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU B 119 16.634 -1.250 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU B 119 17.227 -3.164 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU B 119 18.545 -2.401 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU B 119 18.480 -4.173 -6.951 1.00 0.00 H new ATOM 1180 N LEU B 120 16.579 -6.122 -3.520 1.00 0.00 N ATOM 1181 CA LEU B 120 15.673 -7.211 -3.824 1.00 0.00 C ATOM 1182 C LEU B 120 14.700 -7.434 -2.659 1.00 0.00 C ATOM 1183 O LEU B 120 13.515 -7.660 -2.883 1.00 0.00 O ATOM 1184 CB LEU B 120 16.487 -8.457 -4.185 1.00 0.00 C ATOM 1185 CG LEU B 120 15.661 -9.744 -4.147 1.00 0.00 C ATOM 1186 CD1 LEU B 120 14.523 -9.763 -5.175 1.00 0.00 C ATOM 1187 CD2 LEU B 120 16.584 -10.936 -4.399 1.00 0.00 C ATOM 0 H LEU B 120 17.563 -6.383 -3.455 1.00 0.00 H new ATOM 0 HA LEU B 120 15.057 -6.966 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU B 120 16.909 -8.332 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU B 120 17.325 -8.549 -3.494 1.00 0.00 H new ATOM 0 HG LEU B 120 15.200 -9.800 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU B 120 13.977 -10.703 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU B 120 13.845 -8.932 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU B 120 14.938 -9.668 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU B 120 16.003 -11.858 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU B 120 17.055 -10.831 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU B 120 17.353 -10.970 -3.627 1.00 0.00 H new ATOM 1199 N ALA B 121 15.163 -7.381 -1.408 1.00 0.00 N ATOM 1200 CA ALA B 121 14.296 -7.561 -0.243 1.00 0.00 C ATOM 1201 C ALA B 121 13.269 -6.423 -0.139 1.00 0.00 C ATOM 1202 O ALA B 121 12.232 -6.577 0.494 1.00 0.00 O ATOM 1203 CB ALA B 121 15.140 -7.652 1.033 1.00 0.00 C ATOM 0 H ALA B 121 16.142 -7.213 -1.176 1.00 0.00 H new ATOM 0 HA ALA B 121 13.745 -8.494 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA B 121 14.485 -7.786 1.894 1.00 0.00 H new ATOM 0 HB2 ALA B 121 15.820 -8.500 0.959 1.00 0.00 H new ATOM 0 HB3 ALA B 121 15.716 -6.735 1.155 1.00 0.00 H new ATOM 1209 N LEU B 122 13.553 -5.281 -0.763 1.00 0.00 N ATOM 1210 CA LEU B 122 12.713 -4.084 -0.795 1.00 0.00 C ATOM 1211 C LEU B 122 11.450 -4.359 -1.617 1.00 0.00 C ATOM 1212 O LEU B 122 10.414 -3.730 -1.383 1.00 0.00 O ATOM 1213 CB LEU B 122 13.507 -2.884 -1.370 1.00 0.00 C ATOM 1214 CG LEU B 122 13.591 -1.616 -0.508 1.00 0.00 C ATOM 1215 CD1 LEU B 122 12.231 -0.955 -0.319 1.00 0.00 C ATOM 1216 CD2 LEU B 122 14.258 -1.871 0.850 1.00 0.00 C ATOM 0 H LEU B 122 14.420 -5.159 -1.287 1.00 0.00 H new ATOM 0 HA LEU B 122 12.412 -3.828 0.221 1.00 0.00 H new ATOM 0 HB2 LEU B 122 14.523 -3.220 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU B 122 13.061 -2.612 -2.327 1.00 0.00 H new ATOM 0 HG LEU B 122 14.226 -0.925 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU B 122 12.343 -0.063 0.297 1.00 0.00 H new ATOM 0 HD12 LEU B 122 11.824 -0.676 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU B 122 11.552 -1.653 0.172 1.00 0.00 H new ATOM 0 HD21 LEU B 122 14.292 -0.942 1.419 1.00 0.00 H new ATOM 0 HD22 LEU B 122 13.684 -2.615 1.403 1.00 0.00 H new ATOM 0 HD23 LEU B 122 15.273 -2.238 0.694 1.00 0.00 H new ATOM 1228 N ASP B 123 11.530 -5.262 -2.597 1.00 0.00 N ATOM 1229 CA ASP B 123 10.420 -5.642 -3.466 1.00 0.00 C ATOM 1230 C ASP B 123 9.263 -6.242 -2.656 1.00 0.00 C ATOM 1231 O ASP B 123 8.197 -5.625 -2.651 1.00 0.00 O ATOM 1232 CB ASP B 123 10.878 -6.555 -4.617 1.00 0.00 C ATOM 1233 CG ASP B 123 11.617 -5.787 -5.706 1.00 0.00 C ATOM 1234 OD1 ASP B 123 11.128 -4.715 -6.149 1.00 0.00 O ATOM 1235 OD2 ASP B 123 12.700 -6.214 -6.149 1.00 0.00 O ATOM 0 H ASP B 123 12.393 -5.761 -2.812 1.00 0.00 H new ATOM 0 HA ASP B 123 10.039 -4.735 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP B 123 11.528 -7.336 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP B 123 10.010 -7.052 -5.051 1.00 0.00 H new ATOM 1240 N PRO B 124 9.404 -7.381 -1.943 1.00 0.00 N ATOM 1241 CA PRO B 124 8.304 -7.944 -1.168 1.00 0.00 C ATOM 1242 C PRO B 124 7.959 -7.076 0.043 1.00 0.00 C ATOM 1243 O PRO B 124 6.852 -7.214 0.556 1.00 0.00 O ATOM 1244 CB PRO B 124 8.752 -9.344 -0.746 1.00 0.00 C ATOM 1245 CG PRO B 124 10.264 -9.194 -0.655 1.00 0.00 C ATOM 1246 CD PRO B 124 10.562 -8.249 -1.821 1.00 0.00 C ATOM 0 HA PRO B 124 7.392 -7.986 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO B 124 8.316 -9.639 0.208 1.00 0.00 H new ATOM 0 HB3 PRO B 124 8.463 -10.100 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO B 124 10.575 -8.773 0.301 1.00 0.00 H new ATOM 0 HG3 PRO B 124 10.776 -10.150 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO B 124 11.465 -7.669 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO B 124 10.729 -8.807 -2.742 1.00 0.00 H new ATOM 1254 N MET B 125 8.870 -6.207 0.506 1.00 0.00 N ATOM 1255 CA MET B 125 8.612 -5.331 1.642 1.00 0.00 C ATOM 1256 C MET B 125 7.432 -4.427 1.289 1.00 0.00 C ATOM 1257 O MET B 125 6.500 -4.325 2.083 1.00 0.00 O ATOM 1258 CB MET B 125 9.858 -4.514 2.017 1.00 0.00 C ATOM 1259 CG MET B 125 10.914 -5.314 2.790 1.00 0.00 C ATOM 1260 SD MET B 125 10.882 -5.124 4.595 1.00 0.00 S ATOM 1261 CE MET B 125 12.248 -3.960 4.823 1.00 0.00 C ATOM 0 H MET B 125 9.800 -6.097 0.101 1.00 0.00 H new ATOM 0 HA MET B 125 8.365 -5.929 2.519 1.00 0.00 H new ATOM 0 HB2 MET B 125 10.309 -4.119 1.107 1.00 0.00 H new ATOM 0 HB3 MET B 125 9.552 -3.658 2.618 1.00 0.00 H new ATOM 0 HG2 MET B 125 10.789 -6.370 2.552 1.00 0.00 H new ATOM 0 HG3 MET B 125 11.900 -5.021 2.430 1.00 0.00 H new ATOM 0 HE1 MET B 125 12.273 -3.628 5.861 1.00 0.00 H new ATOM 0 HE2 MET B 125 13.189 -4.451 4.576 1.00 0.00 H new ATOM 0 HE3 MET B 125 12.105 -3.099 4.170 1.00 0.00 H new ATOM 1271 N MET B 126 7.498 -3.706 0.164 1.00 0.00 N ATOM 1272 CA MET B 126 6.399 -2.843 -0.253 1.00 0.00 C ATOM 1273 C MET B 126 5.251 -3.664 -0.825 1.00 0.00 C ATOM 1274 O MET B 126 4.109 -3.423 -0.463 1.00 0.00 O ATOM 1275 CB MET B 126 6.873 -1.800 -1.273 1.00 0.00 C ATOM 1276 CG MET B 126 5.725 -1.044 -1.955 1.00 0.00 C ATOM 1277 SD MET B 126 6.225 0.338 -3.006 1.00 0.00 S ATOM 1278 CE MET B 126 6.757 -0.595 -4.458 1.00 0.00 C ATOM 0 H MET B 126 8.299 -3.706 -0.468 1.00 0.00 H new ATOM 0 HA MET B 126 6.038 -2.315 0.630 1.00 0.00 H new ATOM 0 HB2 MET B 126 7.523 -1.082 -0.772 1.00 0.00 H new ATOM 0 HB3 MET B 126 7.474 -2.296 -2.035 1.00 0.00 H new ATOM 0 HG2 MET B 126 5.155 -1.750 -2.559 1.00 0.00 H new ATOM 0 HG3 MET B 126 5.052 -0.668 -1.185 1.00 0.00 H new ATOM 0 HE1 MET B 126 7.105 0.095 -5.227 1.00 0.00 H new ATOM 0 HE2 MET B 126 7.568 -1.268 -4.181 1.00 0.00 H new ATOM 0 HE3 MET B 126 5.919 -1.176 -4.844 1.00 0.00 H new ATOM 1288 N GLU B 127 5.538 -4.615 -1.714 1.00 0.00 N ATOM 1289 CA GLU B 127 4.510 -5.419 -2.366 1.00 0.00 C ATOM 1290 C GLU B 127 3.560 -6.090 -1.387 1.00 0.00 C ATOM 1291 O GLU B 127 2.358 -5.983 -1.605 1.00 0.00 O ATOM 1292 CB GLU B 127 5.122 -6.422 -3.347 1.00 0.00 C ATOM 1293 CG GLU B 127 4.043 -7.033 -4.258 1.00 0.00 C ATOM 1294 CD GLU B 127 4.644 -7.859 -5.395 1.00 0.00 C ATOM 1295 OE1 GLU B 127 5.521 -7.332 -6.132 1.00 0.00 O ATOM 1296 OE2 GLU B 127 4.262 -9.041 -5.542 1.00 0.00 O ATOM 0 H GLU B 127 6.489 -4.848 -2.001 1.00 0.00 H new ATOM 0 HA GLU B 127 3.898 -4.723 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU B 127 5.878 -5.926 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU B 127 5.627 -7.214 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU B 127 3.383 -7.664 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU B 127 3.429 -6.235 -4.676 1.00 0.00 H new ATOM 1303 N GLN B 128 4.059 -6.730 -0.326 1.00 0.00 N ATOM 1304 CA GLN B 128 3.193 -7.392 0.639 1.00 0.00 C ATOM 1305 C GLN B 128 2.253 -6.388 1.306 1.00 0.00 C ATOM 1306 O GLN B 128 1.075 -6.681 1.494 1.00 0.00 O ATOM 1307 CB GLN B 128 4.040 -8.154 1.667 1.00 0.00 C ATOM 1308 CG GLN B 128 3.212 -8.845 2.759 1.00 0.00 C ATOM 1309 CD GLN B 128 2.094 -9.739 2.219 1.00 0.00 C ATOM 1310 OE1 GLN B 128 2.332 -10.832 1.734 1.00 0.00 O ATOM 1311 NE2 GLN B 128 0.840 -9.338 2.344 1.00 0.00 N ATOM 0 H GLN B 128 5.055 -6.801 -0.118 1.00 0.00 H new ATOM 0 HA GLN B 128 2.567 -8.116 0.117 1.00 0.00 H new ATOM 0 HB2 GLN B 128 4.638 -8.903 1.148 1.00 0.00 H new ATOM 0 HB3 GLN B 128 4.737 -7.460 2.137 1.00 0.00 H new ATOM 0 HG2 GLN B 128 3.877 -9.446 3.379 1.00 0.00 H new ATOM 0 HG3 GLN B 128 2.775 -8.084 3.405 1.00 0.00 H new ATOM 0 HE21 GLN B 128 0.635 -8.425 2.749 1.00 0.00 H new ATOM 0 HE22 GLN B 128 0.078 -9.942 2.035 1.00 0.00 H new ATOM 1320 N GLU B 129 2.757 -5.219 1.691 1.00 0.00 N ATOM 1321 CA GLU B 129 1.934 -4.210 2.339 1.00 0.00 C ATOM 1322 C GLU B 129 0.904 -3.664 1.354 1.00 0.00 C ATOM 1323 O GLU B 129 -0.240 -3.417 1.729 1.00 0.00 O ATOM 1324 CB GLU B 129 2.818 -3.078 2.872 1.00 0.00 C ATOM 1325 CG GLU B 129 3.806 -3.543 3.937 1.00 0.00 C ATOM 1326 CD GLU B 129 3.080 -3.903 5.231 1.00 0.00 C ATOM 1327 OE1 GLU B 129 2.813 -2.994 6.053 1.00 0.00 O ATOM 1328 OE2 GLU B 129 2.771 -5.097 5.441 1.00 0.00 O ATOM 0 H GLU B 129 3.733 -4.950 1.564 1.00 0.00 H new ATOM 0 HA GLU B 129 1.406 -4.665 3.177 1.00 0.00 H new ATOM 0 HB2 GLU B 129 3.369 -2.634 2.043 1.00 0.00 H new ATOM 0 HB3 GLU B 129 2.184 -2.296 3.289 1.00 0.00 H new ATOM 0 HG2 GLU B 129 4.360 -4.408 3.573 1.00 0.00 H new ATOM 0 HG3 GLU B 129 4.535 -2.757 4.131 1.00 0.00 H new ATOM 1335 N ILE B 130 1.294 -3.470 0.092 1.00 0.00 N ATOM 1336 CA ILE B 130 0.403 -2.963 -0.923 1.00 0.00 C ATOM 1337 C ILE B 130 -0.673 -4.008 -1.161 1.00 0.00 C ATOM 1338 O ILE B 130 -1.836 -3.655 -1.018 1.00 0.00 O ATOM 1339 CB ILE B 130 1.206 -2.607 -2.207 1.00 0.00 C ATOM 1340 CG1 ILE B 130 1.636 -1.129 -2.255 1.00 0.00 C ATOM 1341 CG2 ILE B 130 0.423 -2.845 -3.509 1.00 0.00 C ATOM 1342 CD1 ILE B 130 2.324 -0.590 -1.018 1.00 0.00 C ATOM 0 H ILE B 130 2.238 -3.663 -0.242 1.00 0.00 H new ATOM 0 HA ILE B 130 -0.081 -2.040 -0.606 1.00 0.00 H new ATOM 0 HB ILE B 130 2.067 -3.272 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE B 130 2.305 -0.995 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE B 130 0.752 -0.521 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE B 130 1.045 -2.575 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE B 130 0.146 -3.897 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -0.478 -2.232 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE B 130 2.579 0.459 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE B 130 1.656 -0.680 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE B 130 3.234 -1.161 -0.830 1.00 0.00 H new ATOM 1354 N GLU B 131 -0.339 -5.264 -1.475 1.00 0.00 N ATOM 1355 CA GLU B 131 -1.356 -6.268 -1.743 1.00 0.00 C ATOM 1356 C GLU B 131 -2.254 -6.487 -0.542 1.00 0.00 C ATOM 1357 O GLU B 131 -3.451 -6.667 -0.745 1.00 0.00 O ATOM 1358 CB GLU B 131 -0.809 -7.570 -2.330 1.00 0.00 C ATOM 1359 CG GLU B 131 -0.032 -8.488 -1.388 1.00 0.00 C ATOM 1360 CD GLU B 131 0.059 -9.867 -2.026 1.00 0.00 C ATOM 1361 OE1 GLU B 131 0.619 -10.005 -3.142 1.00 0.00 O ATOM 1362 OE2 GLU B 131 -0.502 -10.837 -1.470 1.00 0.00 O ATOM 0 H GLU B 131 0.621 -5.601 -1.548 1.00 0.00 H new ATOM 0 HA GLU B 131 -1.979 -5.859 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -1.647 -8.135 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -0.159 -7.316 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU B 131 0.965 -8.088 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -0.532 -8.550 -0.421 1.00 0.00 H new ATOM 1369 N GLU B 132 -1.715 -6.433 0.678 1.00 0.00 N ATOM 1370 CA GLU B 132 -2.514 -6.598 1.883 1.00 0.00 C ATOM 1371 C GLU B 132 -3.540 -5.468 1.848 1.00 0.00 C ATOM 1372 O GLU B 132 -4.715 -5.732 2.077 1.00 0.00 O ATOM 1373 CB GLU B 132 -1.632 -6.596 3.148 1.00 0.00 C ATOM 1374 CG GLU B 132 -2.373 -6.515 4.500 1.00 0.00 C ATOM 1375 CD GLU B 132 -3.207 -7.750 4.880 1.00 0.00 C ATOM 1376 OE1 GLU B 132 -2.658 -8.872 4.992 1.00 0.00 O ATOM 1377 OE2 GLU B 132 -4.417 -7.583 5.180 1.00 0.00 O ATOM 0 H GLU B 132 -0.722 -6.275 0.852 1.00 0.00 H new ATOM 0 HA GLU B 132 -3.021 -7.563 1.918 1.00 0.00 H new ATOM 0 HB2 GLU B 132 -1.026 -7.502 3.144 1.00 0.00 H new ATOM 0 HB3 GLU B 132 -0.944 -5.753 3.084 1.00 0.00 H new ATOM 0 HG2 GLU B 132 -1.638 -6.340 5.286 1.00 0.00 H new ATOM 0 HG3 GLU B 132 -3.032 -5.647 4.481 1.00 0.00 H new ATOM 1384 N ILE B 133 -3.159 -4.229 1.500 1.00 0.00 N ATOM 1385 CA ILE B 133 -4.123 -3.145 1.449 1.00 0.00 C ATOM 1386 C ILE B 133 -5.098 -3.323 0.282 1.00 0.00 C ATOM 1387 O ILE B 133 -6.301 -3.131 0.479 1.00 0.00 O ATOM 1388 CB ILE B 133 -3.425 -1.776 1.462 1.00 0.00 C ATOM 1389 CG1 ILE B 133 -2.683 -1.535 2.794 1.00 0.00 C ATOM 1390 CG2 ILE B 133 -4.496 -0.683 1.329 1.00 0.00 C ATOM 1391 CD1 ILE B 133 -1.765 -0.322 2.678 1.00 0.00 C ATOM 0 H ILE B 133 -2.204 -3.966 1.255 1.00 0.00 H new ATOM 0 HA ILE B 133 -4.729 -3.180 2.354 1.00 0.00 H new ATOM 0 HB ILE B 133 -2.708 -1.751 0.641 1.00 0.00 H new ATOM 0 HG12 ILE B 133 -3.404 -1.378 3.596 1.00 0.00 H new ATOM 0 HG13 ILE B 133 -2.099 -2.417 3.058 1.00 0.00 H new ATOM 0 HG21 ILE B 133 -4.019 0.297 1.336 1.00 0.00 H new ATOM 0 HG22 ILE B 133 -5.037 -0.816 0.392 1.00 0.00 H new ATOM 0 HG23 ILE B 133 -5.193 -0.753 2.164 1.00 0.00 H new ATOM 0 HD11 ILE B 133 -1.249 -0.165 3.625 1.00 0.00 H new ATOM 0 HD12 ILE B 133 -1.032 -0.494 1.889 1.00 0.00 H new ATOM 0 HD13 ILE B 133 -2.357 0.561 2.437 1.00 0.00 H new ATOM 1403 N ARG B 134 -4.632 -3.658 -0.928 1.00 0.00 N ATOM 1404 CA ARG B 134 -5.503 -3.853 -2.085 1.00 0.00 C ATOM 1405 C ARG B 134 -6.555 -4.890 -1.729 1.00 0.00 C ATOM 1406 O ARG B 134 -7.736 -4.681 -1.997 1.00 0.00 O ATOM 1407 CB ARG B 134 -4.690 -4.268 -3.321 1.00 0.00 C ATOM 1408 CG ARG B 134 -3.635 -3.210 -3.674 1.00 0.00 C ATOM 1409 CD ARG B 134 -3.073 -3.366 -5.078 1.00 0.00 C ATOM 1410 NE ARG B 134 -2.291 -4.600 -5.264 1.00 0.00 N ATOM 1411 CZ ARG B 134 -1.099 -4.738 -5.861 1.00 0.00 C ATOM 1412 NH1 ARG B 134 -0.489 -3.735 -6.480 1.00 0.00 N ATOM 1413 NH2 ARG B 134 -0.496 -5.914 -5.824 1.00 0.00 N ATOM 0 H ARG B 134 -3.642 -3.800 -1.128 1.00 0.00 H new ATOM 0 HA ARG B 134 -5.998 -2.916 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -4.201 -5.224 -3.134 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -5.360 -4.413 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -4.077 -2.219 -3.575 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -2.818 -3.267 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -3.895 -3.355 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -2.441 -2.507 -5.305 1.00 0.00 H new ATOM 0 HE ARG B 134 -2.707 -5.454 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -0.927 -2.815 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG B 134 0.418 -3.884 -6.921 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -0.938 -6.699 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG B 134 0.412 -6.036 -6.273 1.00 0.00 H new ATOM 1427 N GLN B 135 -6.138 -5.983 -1.101 1.00 0.00 N ATOM 1428 CA GLN B 135 -7.006 -7.065 -0.660 1.00 0.00 C ATOM 1429 C GLN B 135 -7.968 -6.562 0.418 1.00 0.00 C ATOM 1430 O GLN B 135 -9.182 -6.720 0.259 1.00 0.00 O ATOM 1431 CB GLN B 135 -6.170 -8.244 -0.145 1.00 0.00 C ATOM 1432 CG GLN B 135 -5.476 -8.988 -1.293 1.00 0.00 C ATOM 1433 CD GLN B 135 -6.441 -9.873 -2.073 1.00 0.00 C ATOM 1434 OE1 GLN B 135 -6.722 -11.006 -1.705 1.00 0.00 O ATOM 1435 NE2 GLN B 135 -7.026 -9.396 -3.156 1.00 0.00 N ATOM 0 H GLN B 135 -5.156 -6.144 -0.878 1.00 0.00 H new ATOM 0 HA GLN B 135 -7.595 -7.414 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -5.421 -7.880 0.559 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -6.812 -8.935 0.402 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -5.021 -8.265 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -4.668 -9.600 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -6.807 -8.454 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -7.697 -9.969 -3.668 1.00 0.00 H new ATOM 1444 N LYS B 136 -7.470 -5.920 1.484 1.00 0.00 N ATOM 1445 CA LYS B 136 -8.294 -5.408 2.579 1.00 0.00 C ATOM 1446 C LYS B 136 -9.374 -4.473 2.041 1.00 0.00 C ATOM 1447 O LYS B 136 -10.563 -4.725 2.238 1.00 0.00 O ATOM 1448 CB LYS B 136 -7.409 -4.834 3.722 1.00 0.00 C ATOM 1449 CG LYS B 136 -7.347 -3.307 3.931 1.00 0.00 C ATOM 1450 CD LYS B 136 -6.174 -2.810 4.795 1.00 0.00 C ATOM 1451 CE LYS B 136 -5.768 -3.646 6.008 1.00 0.00 C ATOM 1452 NZ LYS B 136 -6.681 -3.489 7.152 1.00 0.00 N ATOM 0 H LYS B 136 -6.473 -5.742 1.608 1.00 0.00 H new ATOM 0 HA LYS B 136 -8.842 -6.223 3.051 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -7.750 -5.279 4.656 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -6.390 -5.184 3.555 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -7.288 -2.825 2.955 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -8.280 -2.981 4.391 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -5.301 -2.714 4.149 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -6.421 -1.809 5.148 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -5.732 -4.697 5.721 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -4.760 -3.365 6.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -6.352 -4.080 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -6.697 -2.492 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -7.639 -3.783 6.874 1.00 0.00 H new ATOM 1466 N TYR B 137 -8.999 -3.427 1.307 1.00 0.00 N ATOM 1467 CA TYR B 137 -9.963 -2.484 0.779 1.00 0.00 C ATOM 1468 C TYR B 137 -10.828 -3.095 -0.307 1.00 0.00 C ATOM 1469 O TYR B 137 -12.000 -2.732 -0.360 1.00 0.00 O ATOM 1470 CB TYR B 137 -9.302 -1.160 0.404 1.00 0.00 C ATOM 1471 CG TYR B 137 -8.977 -0.311 1.627 1.00 0.00 C ATOM 1472 CD1 TYR B 137 -9.949 -0.006 2.604 1.00 0.00 C ATOM 1473 CD2 TYR B 137 -7.674 0.169 1.794 1.00 0.00 C ATOM 1474 CE1 TYR B 137 -9.609 0.752 3.737 1.00 0.00 C ATOM 1475 CE2 TYR B 137 -7.317 0.933 2.915 1.00 0.00 C ATOM 1476 CZ TYR B 137 -8.285 1.214 3.899 1.00 0.00 C ATOM 1477 OH TYR B 137 -7.947 1.906 5.014 1.00 0.00 O ATOM 0 H TYR B 137 -8.030 -3.217 1.068 1.00 0.00 H new ATOM 0 HA TYR B 137 -10.666 -2.236 1.574 1.00 0.00 H new ATOM 0 HB2 TYR B 137 -8.386 -1.358 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR B 137 -9.963 -0.601 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR B 137 -10.962 -0.358 2.480 1.00 0.00 H new ATOM 0 HD2 TYR B 137 -6.928 -0.053 1.045 1.00 0.00 H new ATOM 0 HE1 TYR B 137 -10.358 0.980 4.481 1.00 0.00 H new ATOM 0 HE2 TYR B 137 -6.308 1.303 3.023 1.00 0.00 H new ATOM 0 HH TYR B 137 -6.999 2.151 4.972 1.00 0.00 H new ATOM 1487 N GLN B 138 -10.342 -4.027 -1.134 1.00 0.00 N ATOM 1488 CA GLN B 138 -11.207 -4.642 -2.137 1.00 0.00 C ATOM 1489 C GLN B 138 -12.279 -5.414 -1.370 1.00 0.00 C ATOM 1490 O GLN B 138 -13.447 -5.319 -1.732 1.00 0.00 O ATOM 1491 CB GLN B 138 -10.435 -5.557 -3.096 1.00 0.00 C ATOM 1492 CG GLN B 138 -11.337 -6.480 -3.935 1.00 0.00 C ATOM 1493 CD GLN B 138 -12.377 -5.787 -4.816 1.00 0.00 C ATOM 1494 OE1 GLN B 138 -12.258 -4.615 -5.178 1.00 0.00 O ATOM 1495 NE2 GLN B 138 -13.406 -6.523 -5.196 1.00 0.00 N ATOM 0 H GLN B 138 -9.379 -4.363 -1.128 1.00 0.00 H new ATOM 0 HA GLN B 138 -11.651 -3.875 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -9.836 -4.942 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.741 -6.169 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.701 -7.093 -4.573 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.858 -7.158 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -13.484 -7.491 -4.884 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -14.123 -6.123 -5.802 1.00 0.00 H new ATOM 1504 N SER B 139 -11.911 -6.128 -0.298 1.00 0.00 N ATOM 1505 CA SER B 139 -12.853 -6.876 0.525 1.00 0.00 C ATOM 1506 C SER B 139 -13.933 -5.909 1.020 1.00 0.00 C ATOM 1507 O SER B 139 -15.108 -6.263 1.027 1.00 0.00 O ATOM 1508 CB SER B 139 -12.129 -7.590 1.673 1.00 0.00 C ATOM 1509 OG SER B 139 -11.094 -8.432 1.195 1.00 0.00 O ATOM 0 H SER B 139 -10.944 -6.199 0.019 1.00 0.00 H new ATOM 0 HA SER B 139 -13.331 -7.661 -0.061 1.00 0.00 H new ATOM 0 HB2 SER B 139 -11.711 -6.850 2.356 1.00 0.00 H new ATOM 0 HB3 SER B 139 -12.845 -8.181 2.244 1.00 0.00 H new ATOM 0 HG SER B 139 -10.365 -7.883 0.838 1.00 0.00 H new ATOM 1515 N LYS B 140 -13.575 -4.666 1.372 1.00 0.00 N ATOM 1516 CA LYS B 140 -14.547 -3.667 1.814 1.00 0.00 C ATOM 1517 C LYS B 140 -15.360 -3.106 0.644 1.00 0.00 C ATOM 1518 O LYS B 140 -16.535 -2.774 0.803 1.00 0.00 O ATOM 1519 CB LYS B 140 -13.871 -2.481 2.513 1.00 0.00 C ATOM 1520 CG LYS B 140 -13.062 -2.890 3.739 1.00 0.00 C ATOM 1521 CD LYS B 140 -12.871 -1.717 4.699 1.00 0.00 C ATOM 1522 CE LYS B 140 -11.679 -2.031 5.602 1.00 0.00 C ATOM 1523 NZ LYS B 140 -11.818 -1.401 6.925 1.00 0.00 N ATOM 0 H LYS B 140 -12.612 -4.331 1.357 1.00 0.00 H new ATOM 0 HA LYS B 140 -15.203 -4.188 2.511 1.00 0.00 H new ATOM 0 HB2 LYS B 140 -13.215 -1.975 1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 140 -14.633 -1.761 2.812 1.00 0.00 H new ATOM 0 HG2 LYS B 140 -13.568 -3.706 4.255 1.00 0.00 H new ATOM 0 HG3 LYS B 140 -12.089 -3.267 3.425 1.00 0.00 H new ATOM 0 HD2 LYS B 140 -12.695 -0.796 4.144 1.00 0.00 H new ATOM 0 HD3 LYS B 140 -13.770 -1.563 5.296 1.00 0.00 H new ATOM 0 HE2 LYS B 140 -11.587 -3.111 5.721 1.00 0.00 H new ATOM 0 HE3 LYS B 140 -10.761 -1.683 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 140 -10.991 -1.636 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 140 -11.881 -0.369 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 140 -12.681 -1.752 7.388 1.00 0.00 H new ATOM 1537 N ARG B 141 -14.752 -2.947 -0.529 1.00 0.00 N ATOM 1538 CA ARG B 141 -15.385 -2.414 -1.730 1.00 0.00 C ATOM 1539 C ARG B 141 -16.366 -3.399 -2.342 1.00 0.00 C ATOM 1540 O ARG B 141 -17.360 -2.966 -2.908 1.00 0.00 O ATOM 1541 CB ARG B 141 -14.297 -2.049 -2.744 1.00 0.00 C ATOM 1542 CG ARG B 141 -14.839 -1.158 -3.876 1.00 0.00 C ATOM 1543 CD ARG B 141 -13.715 -0.552 -4.721 1.00 0.00 C ATOM 1544 NE ARG B 141 -12.823 -1.585 -5.264 1.00 0.00 N ATOM 1545 CZ ARG B 141 -11.700 -1.366 -5.950 1.00 0.00 C ATOM 1546 NH1 ARG B 141 -11.287 -0.134 -6.235 1.00 0.00 N ATOM 1547 NH2 ARG B 141 -11.019 -2.431 -6.348 1.00 0.00 N ATOM 0 H ARG B 141 -13.773 -3.194 -0.673 1.00 0.00 H new ATOM 0 HA ARG B 141 -15.955 -1.527 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG B 141 -13.484 -1.532 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG B 141 -13.877 -2.961 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG B 141 -15.496 -1.746 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG B 141 -15.443 -0.357 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG B 141 -14.146 0.023 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG B 141 -13.137 0.144 -4.112 1.00 0.00 H new ATOM 0 HE ARG B 141 -13.086 -2.557 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG B 141 -11.833 0.671 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG B 141 -10.424 0.006 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG B 141 -11.360 -3.366 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG B 141 -10.154 -2.315 -6.876 1.00 0.00 H new ATOM 1561 N GLN B 142 -16.127 -4.696 -2.217 1.00 0.00 N ATOM 1562 CA GLN B 142 -17.004 -5.719 -2.763 1.00 0.00 C ATOM 1563 C GLN B 142 -18.457 -5.574 -2.243 1.00 0.00 C ATOM 1564 O GLN B 142 -19.347 -5.385 -3.062 1.00 0.00 O ATOM 1565 CB GLN B 142 -16.364 -7.114 -2.614 1.00 0.00 C ATOM 1566 CG GLN B 142 -16.544 -7.929 -3.902 1.00 0.00 C ATOM 1567 CD GLN B 142 -18.015 -8.106 -4.240 1.00 0.00 C ATOM 1568 OE1 GLN B 142 -18.479 -7.579 -5.356 1.00 0.00 O flip ATOM 1569 NE2 GLN B 142 -18.743 -8.700 -3.455 1.00 0.00 N flip ATOM 0 H GLN B 142 -15.313 -5.070 -1.730 1.00 0.00 H new ATOM 0 HA GLN B 142 -17.112 -5.576 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN B 142 -15.303 -7.011 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN B 142 -16.819 -7.642 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN B 142 -16.037 -7.428 -4.726 1.00 0.00 H new ATOM 0 HG3 GLN B 142 -16.075 -8.906 -3.786 1.00 0.00 H new ATOM 0 HE21 GLN B 142 -18.354 -9.097 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN B 142 -19.738 -8.798 -3.656 1.00 0.00 H new ATOM 1578 N PRO B 143 -18.762 -5.558 -0.933 1.00 0.00 N ATOM 1579 CA PRO B 143 -20.138 -5.398 -0.458 1.00 0.00 C ATOM 1580 C PRO B 143 -20.719 -4.025 -0.829 1.00 0.00 C ATOM 1581 O PRO B 143 -21.935 -3.856 -0.805 1.00 0.00 O ATOM 1582 CB PRO B 143 -20.080 -5.583 1.062 1.00 0.00 C ATOM 1583 CG PRO B 143 -18.645 -5.221 1.395 1.00 0.00 C ATOM 1584 CD PRO B 143 -17.880 -5.752 0.192 1.00 0.00 C ATOM 0 HA PRO B 143 -20.797 -6.128 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO B 143 -20.790 -4.934 1.575 1.00 0.00 H new ATOM 0 HB3 PRO B 143 -20.316 -6.606 1.353 1.00 0.00 H new ATOM 0 HG2 PRO B 143 -18.516 -4.145 1.515 1.00 0.00 H new ATOM 0 HG3 PRO B 143 -18.315 -5.687 2.323 1.00 0.00 H new ATOM 0 HD2 PRO B 143 -16.942 -5.215 0.054 1.00 0.00 H new ATOM 0 HD3 PRO B 143 -17.629 -6.805 0.319 1.00 0.00 H new ATOM 1592 N ILE B 144 -19.873 -3.026 -1.100 1.00 0.00 N ATOM 1593 CA ILE B 144 -20.279 -1.683 -1.490 1.00 0.00 C ATOM 1594 C ILE B 144 -20.764 -1.735 -2.946 1.00 0.00 C ATOM 1595 O ILE B 144 -21.859 -1.266 -3.250 1.00 0.00 O ATOM 1596 CB ILE B 144 -19.092 -0.710 -1.279 1.00 0.00 C ATOM 1597 CG1 ILE B 144 -18.856 -0.407 0.216 1.00 0.00 C ATOM 1598 CG2 ILE B 144 -19.234 0.580 -2.088 1.00 0.00 C ATOM 1599 CD1 ILE B 144 -17.674 0.524 0.497 1.00 0.00 C ATOM 0 H ILE B 144 -18.860 -3.138 -1.051 1.00 0.00 H new ATOM 0 HA ILE B 144 -21.101 -1.313 -0.877 1.00 0.00 H new ATOM 0 HB ILE B 144 -18.209 -1.225 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -19.760 0.039 0.630 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -18.695 -1.347 0.743 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -18.374 1.223 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -19.283 0.340 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -20.146 1.098 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -17.583 0.682 1.572 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -16.757 0.073 0.117 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -17.839 1.481 0.003 1.00 0.00 H new ATOM 1611 N LEU B 145 -19.935 -2.270 -3.848 1.00 0.00 N ATOM 1612 CA LEU B 145 -20.236 -2.382 -5.272 1.00 0.00 C ATOM 1613 C LEU B 145 -21.449 -3.272 -5.494 1.00 0.00 C ATOM 1614 O LEU B 145 -22.265 -2.992 -6.369 1.00 0.00 O ATOM 1615 CB LEU B 145 -18.986 -2.789 -6.069 1.00 0.00 C ATOM 1616 CG LEU B 145 -18.649 -4.277 -6.192 1.00 0.00 C ATOM 1617 CD1 LEU B 145 -19.389 -4.983 -7.330 1.00 0.00 C ATOM 1618 CD2 LEU B 145 -17.136 -4.426 -6.407 1.00 0.00 C ATOM 0 H LEU B 145 -19.019 -2.644 -3.600 1.00 0.00 H new ATOM 0 HA LEU B 145 -20.516 -1.405 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -19.091 -2.389 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -18.128 -2.291 -5.617 1.00 0.00 H new ATOM 0 HG LEU B 145 -18.973 -4.753 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU B 145 -19.100 -6.034 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -20.464 -4.906 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -19.131 -4.513 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -16.883 -5.483 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -16.845 -3.905 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -16.604 -3.996 -5.558 1.00 0.00 H new ATOM 1630 N ASP B 146 -21.577 -4.312 -4.677 1.00 0.00 N ATOM 1631 CA ASP B 146 -22.705 -5.233 -4.753 1.00 0.00 C ATOM 1632 C ASP B 146 -23.979 -4.528 -4.274 1.00 0.00 C ATOM 1633 O ASP B 146 -25.047 -4.712 -4.846 1.00 0.00 O ATOM 1634 CB ASP B 146 -22.408 -6.455 -3.885 1.00 0.00 C ATOM 1635 CG ASP B 146 -23.634 -7.350 -3.733 1.00 0.00 C ATOM 1636 OD1 ASP B 146 -24.083 -7.978 -4.714 1.00 0.00 O ATOM 1637 OD2 ASP B 146 -24.101 -7.526 -2.587 1.00 0.00 O ATOM 0 H ASP B 146 -20.904 -4.540 -3.945 1.00 0.00 H new ATOM 0 HA ASP B 146 -22.856 -5.555 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -21.593 -7.027 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -22.071 -6.129 -2.901 1.00 0.00 H new ATOM 1642 N ALA B 147 -23.872 -3.674 -3.247 1.00 0.00 N ATOM 1643 CA ALA B 147 -25.015 -2.953 -2.708 1.00 0.00 C ATOM 1644 C ALA B 147 -25.637 -2.000 -3.727 1.00 0.00 C ATOM 1645 O ALA B 147 -26.861 -1.940 -3.776 1.00 0.00 O ATOM 1646 CB ALA B 147 -24.633 -2.199 -1.433 1.00 0.00 C ATOM 0 H ALA B 147 -22.992 -3.470 -2.774 1.00 0.00 H new ATOM 0 HA ALA B 147 -25.770 -3.700 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA B 147 -25.504 -1.668 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA B 147 -24.281 -2.907 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA B 147 -23.842 -1.484 -1.657 1.00 0.00 H new ATOM 1652 N ILE B 148 -24.857 -1.243 -4.514 1.00 0.00 N ATOM 1653 CA ILE B 148 -25.456 -0.331 -5.501 1.00 0.00 C ATOM 1654 C ILE B 148 -26.191 -1.100 -6.587 1.00 0.00 C ATOM 1655 O ILE B 148 -27.195 -0.630 -7.115 1.00 0.00 O ATOM 1656 CB ILE B 148 -24.456 0.687 -6.079 1.00 0.00 C ATOM 1657 CG1 ILE B 148 -25.179 1.779 -6.894 1.00 0.00 C ATOM 1658 CG2 ILE B 148 -23.308 0.020 -6.832 1.00 0.00 C ATOM 1659 CD1 ILE B 148 -24.263 2.931 -7.316 1.00 0.00 C ATOM 0 H ILE B 148 -23.837 -1.242 -4.489 1.00 0.00 H new ATOM 0 HA ILE B 148 -26.192 0.266 -4.963 1.00 0.00 H new ATOM 0 HB ILE B 148 -23.980 1.194 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE B 148 -25.616 1.327 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE B 148 -26.003 2.178 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE B 148 -22.633 0.784 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE B 148 -22.762 -0.637 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE B 148 -23.707 -0.564 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE B 148 -24.837 3.662 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE B 148 -23.846 3.408 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE B 148 -23.453 2.544 -7.935 1.00 0.00 H new ATOM 1671 N GLU B 149 -25.678 -2.272 -6.941 1.00 0.00 N ATOM 1672 CA GLU B 149 -26.281 -3.116 -7.955 1.00 0.00 C ATOM 1673 C GLU B 149 -27.597 -3.736 -7.448 1.00 0.00 C ATOM 1674 O GLU B 149 -28.369 -4.278 -8.234 1.00 0.00 O ATOM 1675 CB GLU B 149 -25.229 -4.092 -8.501 1.00 0.00 C ATOM 1676 CG GLU B 149 -24.390 -3.326 -9.542 1.00 0.00 C ATOM 1677 CD GLU B 149 -23.261 -4.122 -10.193 1.00 0.00 C ATOM 1678 OE1 GLU B 149 -22.719 -5.071 -9.584 1.00 0.00 O ATOM 1679 OE2 GLU B 149 -22.785 -3.681 -11.261 1.00 0.00 O ATOM 0 H GLU B 149 -24.830 -2.661 -6.530 1.00 0.00 H new ATOM 0 HA GLU B 149 -26.598 -2.530 -8.818 1.00 0.00 H new ATOM 0 HB2 GLU B 149 -24.596 -4.464 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU B 149 -25.708 -4.959 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU B 149 -25.056 -2.967 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU B 149 -23.961 -2.447 -9.061 1.00 0.00 H new ATOM 1686 N ALA B 150 -27.858 -3.652 -6.137 1.00 0.00 N ATOM 1687 CA ALA B 150 -29.050 -4.143 -5.459 1.00 0.00 C ATOM 1688 C ALA B 150 -30.057 -3.003 -5.172 1.00 0.00 C ATOM 1689 O ALA B 150 -30.949 -3.161 -4.329 1.00 0.00 O ATOM 1690 CB ALA B 150 -28.627 -4.887 -4.183 1.00 0.00 C ATOM 0 H ALA B 150 -27.202 -3.214 -5.491 1.00 0.00 H new ATOM 0 HA ALA B 150 -29.575 -4.841 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA B 150 -29.513 -5.259 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA B 150 -27.982 -5.725 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA B 150 -28.085 -4.206 -3.527 1.00 0.00 H new ATOM 1696 N LYS B 151 -29.927 -1.826 -5.801 1.00 0.00 N ATOM 1697 CA LYS B 151 -30.807 -0.677 -5.635 1.00 0.00 C ATOM 1698 C LYS B 151 -31.615 -0.454 -6.900 1.00 0.00 C ATOM 1699 O LYS B 151 -32.849 -0.529 -6.770 1.00 0.00 O ATOM 1700 CB LYS B 151 -29.960 0.555 -5.304 1.00 0.00 C ATOM 1701 CG LYS B 151 -29.057 0.324 -4.089 1.00 0.00 C ATOM 1702 CD LYS B 151 -29.545 0.985 -2.822 1.00 0.00 C ATOM 1703 CE LYS B 151 -30.984 0.637 -2.420 1.00 0.00 C ATOM 1704 NZ LYS B 151 -31.199 -0.823 -2.281 1.00 0.00 N ATOM 0 H LYS B 151 -29.173 -1.649 -6.465 1.00 0.00 H new ATOM 0 HA LYS B 151 -31.505 -0.859 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS B 151 -29.347 0.815 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS B 151 -30.616 1.404 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS B 151 -28.968 -0.748 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS B 151 -28.058 0.694 -4.317 1.00 0.00 H new ATOM 0 HD2 LYS B 151 -28.879 0.707 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS B 151 -29.469 2.066 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS B 151 -31.222 1.127 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS B 151 -31.672 1.032 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 151 -32.219 -1.025 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 151 -30.750 -1.317 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 151 -30.779 -1.152 -1.388 1.00 0.00 H new TER 1718 LYS B 151