USER MOD reduce.3.24.130724 H: found=0, std=0, add=1201, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 209 SEP H2 : B 209 SEP N : B 208 TYR C :(H bumps) USER MOD Set 1.1: A 120 SER OG : rot -124:sc= 1.11 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.167! C(o=1.3!,f=-5.2!) USER MOD Set 2.1: A 95 ASN : amide:sc= 0.0358 K(o=0.38,f=-1.7) USER MOD Set 2.2: A 103 LYS NZ :NH3+ -129:sc= 0.343 (180deg=-3.26!) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -0.783 USER MOD Set 3.2: A 26 SER OG : rot 122:sc= -0.158 USER MOD Set 3.3: A 66 HIS : no HE2:sc= -0.529 K(o=-3.7,f=-4.3) USER MOD Set 3.4: A 70 GLN : amide:sc= -2.07! K(o=-3.7!,f=-1.9) USER MOD Set 3.5: B 214 SER OG : rot 180:sc= -0.121 USER MOD Set 4.1: A 65 ASN : amide:sc= 0.949 K(o=1.6,f=-0.033) USER MOD Set 4.2: B 208 TYR OH : rot 110:sc= 0.617 USER MOD Set 5.1: A 62 TYR OH : rot 180:sc= 1.07 USER MOD Set 5.2: A 105 LYS NZ :NH3+ -177:sc= 0.867 (180deg=-0.369) USER MOD Set 6.1: A 18 SER OG : rot 49:sc= 1.41 USER MOD Set 6.2: A 21 SER OG : rot -5:sc= -0.195 USER MOD Set 7.1: A 13 ASN : amide:sc= 0.615 K(o=1.4,f=-1.7!) USER MOD Set 7.2: A 46 TYR OH : rot 32:sc= 0.826 USER MOD Set 8.1: A 7 GLN : amide:sc= 0.118 K(o=0.24,f=-0.39) USER MOD Set 8.2: A 32 GLN : amide:sc= 0.12 K(o=0.24,f=-0.53) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -57:sc= 0.223 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.631 USER MOD Single : A 19 GLN : amide:sc= -2.67! C(o=-2.7!,f=-9.1!) USER MOD Single : A 24 SER OG : rot 69:sc= 1.18 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0183 (180deg=-0.212) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.538 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.593) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.029 (180deg=-0.351) USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.25) USER MOD Single : A 47 MET CE :methyl -132:sc= -0.429 (180deg=-1.13) USER MOD Single : A 51 SER OG : rot 180:sc= 0.128 USER MOD Single : A 53 ASN : amide:sc= 0.43 K(o=0.43,f=-6.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 2.04 (180deg=1.83) USER MOD Single : A 64 MET CE :methyl -156:sc= -0.0458 (180deg=-0.543) USER MOD Single : A 69 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.88) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.933 (180deg=0.831) USER MOD Single : A 74 GLN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.29) USER MOD Single : A 80 GLN : amide:sc= 0.332 K(o=0.33,f=-2.7!) USER MOD Single : A 82 SER OG : rot 83:sc= 0.684 USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.17) USER MOD Single : A 96 GLN : amide:sc= 0.67 K(o=0.67,f=-0.31) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 66:sc= 1.05 USER MOD Single : A 111 ASN : amide:sc= 0.728 K(o=0.73,f=-0.13) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.09) USER MOD Single : A 117 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.031) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 130 SER OG : rot 75:sc= 1.22 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 207 SER OG : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 85:sc= 0.493 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 26.163 -2.211 -10.979 1.00 5.47 N ATOM 2 CA ALA A 2 25.436 -3.003 -9.965 1.00 4.84 C ATOM 3 C ALA A 2 24.075 -2.382 -9.672 1.00 3.96 C ATOM 4 O ALA A 2 23.901 -1.670 -8.682 1.00 4.26 O ATOM 5 CB ALA A 2 26.254 -3.109 -8.687 1.00 5.40 C ATOM 0 HA ALA A 2 25.279 -4.006 -10.362 1.00 4.84 H new ATOM 0 HB1 ALA A 2 25.704 -3.695 -7.951 1.00 5.40 H new ATOM 0 HB2 ALA A 2 27.205 -3.597 -8.903 1.00 5.40 H new ATOM 0 HB3 ALA A 2 26.440 -2.111 -8.290 1.00 5.40 H new ATOM 11 N PHE A 3 23.113 -2.633 -10.547 1.00 3.24 N ATOM 12 CA PHE A 3 21.771 -2.104 -10.372 1.00 2.66 C ATOM 13 C PHE A 3 20.752 -3.234 -10.368 1.00 2.37 C ATOM 14 O PHE A 3 20.710 -4.048 -11.291 1.00 2.81 O ATOM 15 CB PHE A 3 21.440 -1.100 -11.480 1.00 2.71 C ATOM 16 CG PHE A 3 22.082 0.246 -11.288 1.00 3.40 C ATOM 17 CD1 PHE A 3 23.346 0.511 -11.800 1.00 3.81 C ATOM 18 CD2 PHE A 3 21.423 1.248 -10.594 1.00 4.16 C ATOM 19 CE1 PHE A 3 23.934 1.749 -11.624 1.00 4.74 C ATOM 20 CE2 PHE A 3 22.008 2.488 -10.415 1.00 5.12 C ATOM 21 CZ PHE A 3 23.265 2.739 -10.929 1.00 5.34 C ATOM 0 H PHE A 3 23.238 -3.200 -11.386 1.00 3.24 H new ATOM 0 HA PHE A 3 21.728 -1.589 -9.412 1.00 2.66 H new ATOM 0 HB2 PHE A 3 21.759 -1.511 -12.438 1.00 2.71 H new ATOM 0 HB3 PHE A 3 20.359 -0.973 -11.532 1.00 2.71 H new ATOM 0 HD1 PHE A 3 23.875 -0.259 -12.342 1.00 3.81 H new ATOM 0 HD2 PHE A 3 20.440 1.058 -10.188 1.00 4.16 H new ATOM 0 HE1 PHE A 3 24.916 1.943 -12.029 1.00 4.74 H new ATOM 0 HE2 PHE A 3 21.482 3.260 -9.873 1.00 5.12 H new ATOM 0 HZ PHE A 3 23.724 3.706 -10.788 1.00 5.34 H new ATOM 31 N SER A 4 19.957 -3.301 -9.313 1.00 1.99 N ATOM 32 CA SER A 4 18.933 -4.325 -9.191 1.00 1.86 C ATOM 33 C SER A 4 17.561 -3.713 -9.447 1.00 1.53 C ATOM 34 O SER A 4 17.185 -2.732 -8.808 1.00 1.56 O ATOM 35 CB SER A 4 18.992 -4.965 -7.803 1.00 2.25 C ATOM 36 OG SER A 4 20.307 -5.406 -7.510 1.00 2.73 O ATOM 0 H SER A 4 20.002 -2.655 -8.525 1.00 1.99 H new ATOM 0 HA SER A 4 19.111 -5.103 -9.933 1.00 1.86 H new ATOM 0 HB2 SER A 4 18.669 -4.245 -7.051 1.00 2.25 H new ATOM 0 HB3 SER A 4 18.302 -5.807 -7.756 1.00 2.25 H new ATOM 0 HG SER A 4 20.325 -5.811 -6.618 1.00 2.73 H new ATOM 42 N SER A 5 16.827 -4.274 -10.396 1.00 1.87 N ATOM 43 CA SER A 5 15.507 -3.762 -10.736 1.00 2.11 C ATOM 44 C SER A 5 14.430 -4.340 -9.816 1.00 1.75 C ATOM 45 O SER A 5 13.555 -3.619 -9.338 1.00 2.50 O ATOM 46 CB SER A 5 15.184 -4.085 -12.195 1.00 2.94 C ATOM 47 OG SER A 5 16.344 -3.971 -13.007 1.00 3.24 O ATOM 0 H SER A 5 17.122 -5.082 -10.944 1.00 1.87 H new ATOM 0 HA SER A 5 15.517 -2.681 -10.599 1.00 2.11 H new ATOM 0 HB2 SER A 5 14.782 -5.096 -12.268 1.00 2.94 H new ATOM 0 HB3 SER A 5 14.412 -3.408 -12.560 1.00 2.94 H new ATOM 0 HG SER A 5 16.115 -4.184 -13.936 1.00 3.24 H new ATOM 53 N GLU A 6 14.513 -5.637 -9.548 1.00 0.91 N ATOM 54 CA GLU A 6 13.534 -6.307 -8.696 1.00 0.84 C ATOM 55 C GLU A 6 13.946 -6.251 -7.229 1.00 0.68 C ATOM 56 O GLU A 6 13.666 -7.167 -6.453 1.00 0.73 O ATOM 57 CB GLU A 6 13.352 -7.756 -9.139 1.00 1.15 C ATOM 58 CG GLU A 6 12.657 -7.888 -10.481 1.00 1.67 C ATOM 59 CD GLU A 6 12.553 -9.322 -10.948 1.00 2.11 C ATOM 60 OE1 GLU A 6 13.178 -10.205 -10.319 1.00 2.42 O ATOM 61 OE2 GLU A 6 11.857 -9.571 -11.956 1.00 2.90 O ATOM 0 H GLU A 6 15.247 -6.247 -9.907 1.00 0.91 H new ATOM 0 HA GLU A 6 12.584 -5.782 -8.798 1.00 0.84 H new ATOM 0 HB2 GLU A 6 14.328 -8.238 -9.194 1.00 1.15 H new ATOM 0 HB3 GLU A 6 12.775 -8.290 -8.384 1.00 1.15 H new ATOM 0 HG2 GLU A 6 11.657 -7.460 -10.411 1.00 1.67 H new ATOM 0 HG3 GLU A 6 13.201 -7.307 -11.226 1.00 1.67 H new ATOM 68 N GLN A 7 14.592 -5.154 -6.853 1.00 0.63 N ATOM 69 CA GLN A 7 15.050 -4.956 -5.484 1.00 0.61 C ATOM 70 C GLN A 7 13.869 -4.851 -4.526 1.00 0.52 C ATOM 71 O GLN A 7 13.950 -5.263 -3.374 1.00 0.61 O ATOM 72 CB GLN A 7 15.912 -3.692 -5.392 1.00 0.75 C ATOM 73 CG GLN A 7 15.299 -2.476 -6.072 1.00 1.58 C ATOM 74 CD GLN A 7 15.955 -1.176 -5.654 1.00 2.04 C ATOM 75 OE1 GLN A 7 17.123 -1.152 -5.267 1.00 2.40 O ATOM 76 NE2 GLN A 7 15.211 -0.086 -5.736 1.00 2.75 N ATOM 0 H GLN A 7 14.812 -4.382 -7.483 1.00 0.63 H new ATOM 0 HA GLN A 7 15.650 -5.820 -5.198 1.00 0.61 H new ATOM 0 HB2 GLN A 7 16.087 -3.459 -4.342 1.00 0.75 H new ATOM 0 HB3 GLN A 7 16.885 -3.894 -5.840 1.00 0.75 H new ATOM 0 HG2 GLN A 7 15.383 -2.589 -7.153 1.00 1.58 H new ATOM 0 HG3 GLN A 7 14.235 -2.432 -5.838 1.00 1.58 H new ATOM 0 HE21 GLN A 7 14.247 -0.150 -6.062 1.00 2.75 H new ATOM 0 HE22 GLN A 7 15.601 0.819 -5.473 1.00 2.75 H new ATOM 85 N PHE A 8 12.768 -4.309 -5.021 1.00 0.49 N ATOM 86 CA PHE A 8 11.567 -4.143 -4.220 1.00 0.45 C ATOM 87 C PHE A 8 10.654 -5.360 -4.360 1.00 0.44 C ATOM 88 O PHE A 8 10.041 -5.808 -3.392 1.00 0.42 O ATOM 89 CB PHE A 8 10.838 -2.870 -4.657 1.00 0.51 C ATOM 90 CG PHE A 8 9.492 -2.672 -4.018 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.375 -2.502 -2.647 1.00 0.89 C ATOM 92 CD2 PHE A 8 8.344 -2.648 -4.791 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.137 -2.309 -2.063 1.00 0.91 C ATOM 94 CE2 PHE A 8 7.105 -2.458 -4.213 1.00 0.90 C ATOM 95 CZ PHE A 8 7.001 -2.288 -2.847 1.00 0.55 C ATOM 0 H PHE A 8 12.682 -3.975 -5.981 1.00 0.49 H new ATOM 0 HA PHE A 8 11.847 -4.054 -3.170 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.466 -2.009 -4.426 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.713 -2.892 -5.740 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.260 -2.521 -2.029 1.00 0.89 H new ATOM 0 HD2 PHE A 8 8.419 -2.780 -5.860 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.059 -2.175 -0.994 1.00 0.91 H new ATOM 0 HE2 PHE A 8 6.218 -2.442 -4.829 1.00 0.90 H new ATOM 0 HZ PHE A 8 6.033 -2.139 -2.393 1.00 0.55 H new ATOM 105 N THR A 9 10.592 -5.896 -5.569 1.00 0.50 N ATOM 106 CA THR A 9 9.754 -7.046 -5.874 1.00 0.56 C ATOM 107 C THR A 9 10.119 -8.275 -5.037 1.00 0.56 C ATOM 108 O THR A 9 9.240 -8.957 -4.507 1.00 0.60 O ATOM 109 CB THR A 9 9.867 -7.395 -7.364 1.00 0.67 C ATOM 110 OG1 THR A 9 10.487 -6.302 -8.057 1.00 0.76 O ATOM 111 CG2 THR A 9 8.501 -7.668 -7.967 1.00 0.86 C ATOM 0 H THR A 9 11.122 -5.546 -6.367 1.00 0.50 H new ATOM 0 HA THR A 9 8.729 -6.769 -5.626 1.00 0.56 H new ATOM 0 HB THR A 9 10.471 -8.297 -7.465 1.00 0.67 H new ATOM 0 HG1 THR A 9 9.971 -5.483 -7.905 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.612 -7.913 -9.023 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.035 -8.505 -7.448 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.874 -6.782 -7.863 1.00 0.86 H new ATOM 119 N THR A 10 11.413 -8.548 -4.908 1.00 0.57 N ATOM 120 CA THR A 10 11.868 -9.701 -4.144 1.00 0.63 C ATOM 121 C THR A 10 11.589 -9.521 -2.649 1.00 0.58 C ATOM 122 O THR A 10 11.398 -10.498 -1.924 1.00 0.66 O ATOM 123 CB THR A 10 13.372 -9.993 -4.386 1.00 0.71 C ATOM 124 OG1 THR A 10 13.678 -11.337 -3.993 1.00 1.42 O ATOM 125 CG2 THR A 10 14.268 -9.021 -3.623 1.00 1.31 C ATOM 0 H THR A 10 12.160 -7.990 -5.320 1.00 0.57 H new ATOM 0 HA THR A 10 11.301 -10.562 -4.497 1.00 0.63 H new ATOM 0 HB THR A 10 13.566 -9.864 -5.451 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.629 -11.515 -4.150 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.313 -9.259 -3.819 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.061 -8.002 -3.950 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.071 -9.107 -2.554 1.00 1.31 H new ATOM 133 N LYS A 11 11.530 -8.269 -2.197 1.00 0.51 N ATOM 134 CA LYS A 11 11.265 -7.981 -0.795 1.00 0.50 C ATOM 135 C LYS A 11 9.831 -8.354 -0.445 1.00 0.48 C ATOM 136 O LYS A 11 9.557 -8.841 0.648 1.00 0.52 O ATOM 137 CB LYS A 11 11.512 -6.502 -0.480 1.00 0.50 C ATOM 138 CG LYS A 11 12.969 -6.086 -0.596 1.00 0.59 C ATOM 139 CD LYS A 11 13.826 -6.706 0.498 1.00 0.80 C ATOM 140 CE LYS A 11 13.602 -6.028 1.844 1.00 1.06 C ATOM 141 NZ LYS A 11 14.636 -6.414 2.840 1.00 1.30 N ATOM 0 H LYS A 11 11.662 -7.443 -2.781 1.00 0.51 H new ATOM 0 HA LYS A 11 11.949 -8.578 -0.192 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.914 -5.891 -1.157 1.00 0.50 H new ATOM 0 HB3 LYS A 11 11.163 -6.292 0.531 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.355 -6.383 -1.571 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.042 -5.000 -0.542 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.595 -7.768 0.583 1.00 0.80 H new ATOM 0 HD3 LYS A 11 14.878 -6.630 0.223 1.00 0.80 H new ATOM 0 HE2 LYS A 11 13.612 -4.946 1.711 1.00 1.06 H new ATOM 0 HE3 LYS A 11 12.615 -6.293 2.224 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 14.447 -5.931 3.741 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 14.610 -7.443 2.986 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.576 -6.138 2.490 1.00 1.30 H new ATOM 155 N LEU A 12 8.928 -8.137 -1.392 1.00 0.47 N ATOM 156 CA LEU A 12 7.518 -8.454 -1.199 1.00 0.50 C ATOM 157 C LEU A 12 7.314 -9.962 -1.100 1.00 0.56 C ATOM 158 O LEU A 12 6.462 -10.443 -0.351 1.00 0.65 O ATOM 159 CB LEU A 12 6.688 -7.899 -2.360 1.00 0.54 C ATOM 160 CG LEU A 12 6.736 -6.380 -2.533 1.00 0.66 C ATOM 161 CD1 LEU A 12 6.212 -5.985 -3.902 1.00 1.57 C ATOM 162 CD2 LEU A 12 5.934 -5.693 -1.440 1.00 0.84 C ATOM 0 H LEU A 12 9.148 -7.741 -2.306 1.00 0.47 H new ATOM 0 HA LEU A 12 7.189 -7.993 -0.268 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.031 -8.364 -3.284 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.650 -8.199 -2.218 1.00 0.54 H new ATOM 0 HG LEU A 12 7.774 -6.058 -2.453 1.00 0.66 H new ATOM 0 HD11 LEU A 12 6.253 -4.901 -4.008 1.00 1.57 H new ATOM 0 HD12 LEU A 12 6.826 -6.449 -4.674 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.180 -6.321 -4.008 1.00 1.57 H new ATOM 0 HD21 LEU A 12 5.980 -4.613 -1.579 1.00 0.84 H new ATOM 0 HD22 LEU A 12 4.896 -6.022 -1.489 1.00 0.84 H new ATOM 0 HD23 LEU A 12 6.350 -5.951 -0.466 1.00 0.84 H new ATOM 174 N ASN A 13 8.115 -10.702 -1.853 1.00 0.60 N ATOM 175 CA ASN A 13 8.023 -12.157 -1.872 1.00 0.71 C ATOM 176 C ASN A 13 8.504 -12.768 -0.559 1.00 0.72 C ATOM 177 O ASN A 13 8.002 -13.809 -0.134 1.00 0.87 O ATOM 178 CB ASN A 13 8.835 -12.728 -3.036 1.00 0.82 C ATOM 179 CG ASN A 13 8.037 -12.799 -4.323 1.00 1.14 C ATOM 180 OD1 ASN A 13 6.814 -12.952 -4.310 1.00 1.53 O ATOM 181 ND2 ASN A 13 8.724 -12.692 -5.448 1.00 1.59 N ATOM 0 H ASN A 13 8.839 -10.318 -2.461 1.00 0.60 H new ATOM 0 HA ASN A 13 6.972 -12.416 -2.002 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.719 -12.111 -3.195 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.186 -13.726 -2.775 1.00 0.82 H new ATOM 0 HD21 ASN A 13 8.242 -12.735 -6.346 1.00 1.59 H new ATOM 0 HD22 ASN A 13 9.736 -12.566 -5.418 1.00 1.59 H new ATOM 188 N THR A 14 9.458 -12.113 0.087 1.00 0.67 N ATOM 189 CA THR A 14 10.009 -12.610 1.340 1.00 0.74 C ATOM 190 C THR A 14 9.479 -11.827 2.545 1.00 0.68 C ATOM 191 O THR A 14 10.036 -11.907 3.645 1.00 0.81 O ATOM 192 CB THR A 14 11.557 -12.557 1.317 1.00 0.85 C ATOM 193 OG1 THR A 14 12.100 -13.263 2.440 1.00 1.63 O ATOM 194 CG2 THR A 14 12.061 -11.118 1.323 1.00 1.47 C ATOM 0 H THR A 14 9.867 -11.236 -0.236 1.00 0.67 H new ATOM 0 HA THR A 14 9.688 -13.646 1.444 1.00 0.74 H new ATOM 0 HB THR A 14 11.890 -13.036 0.396 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.575 -13.057 3.241 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.151 -11.114 1.307 1.00 1.47 H new ATOM 0 HG22 THR A 14 11.683 -10.596 0.444 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.710 -10.613 2.223 1.00 1.47 H new ATOM 202 N LEU A 15 8.394 -11.088 2.344 1.00 0.61 N ATOM 203 CA LEU A 15 7.806 -10.301 3.423 1.00 0.61 C ATOM 204 C LEU A 15 7.080 -11.190 4.426 1.00 0.60 C ATOM 205 O LEU A 15 6.978 -12.406 4.243 1.00 0.71 O ATOM 206 CB LEU A 15 6.841 -9.252 2.866 1.00 0.65 C ATOM 207 CG LEU A 15 7.441 -7.863 2.639 1.00 0.73 C ATOM 208 CD1 LEU A 15 6.353 -6.868 2.272 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.201 -7.393 3.872 1.00 0.88 C ATOM 0 H LEU A 15 7.906 -11.017 1.451 1.00 0.61 H new ATOM 0 HA LEU A 15 8.622 -9.795 3.939 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.442 -9.616 1.919 1.00 0.65 H new ATOM 0 HB3 LEU A 15 5.999 -9.158 3.551 1.00 0.65 H new ATOM 0 HG LEU A 15 8.146 -7.927 1.810 1.00 0.73 H new ATOM 0 HD11 LEU A 15 6.797 -5.885 2.114 1.00 1.10 H new ATOM 0 HD12 LEU A 15 5.856 -7.193 1.358 1.00 1.10 H new ATOM 0 HD13 LEU A 15 5.624 -6.811 3.081 1.00 1.10 H new ATOM 0 HD21 LEU A 15 8.619 -6.403 3.687 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.521 -7.347 4.723 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.008 -8.092 4.090 1.00 0.88 H new ATOM 221 N GLU A 16 6.575 -10.570 5.485 1.00 0.65 N ATOM 222 CA GLU A 16 5.860 -11.278 6.531 1.00 0.72 C ATOM 223 C GLU A 16 4.758 -10.386 7.089 1.00 0.70 C ATOM 224 O GLU A 16 4.716 -9.194 6.802 1.00 0.70 O ATOM 225 CB GLU A 16 6.825 -11.674 7.651 1.00 0.83 C ATOM 226 CG GLU A 16 6.365 -12.871 8.467 1.00 1.28 C ATOM 227 CD GLU A 16 6.988 -12.906 9.844 1.00 1.56 C ATOM 228 OE1 GLU A 16 8.224 -13.076 9.940 1.00 2.16 O ATOM 229 OE2 GLU A 16 6.245 -12.767 10.839 1.00 2.16 O ATOM 0 H GLU A 16 6.651 -9.565 5.640 1.00 0.65 H new ATOM 0 HA GLU A 16 5.416 -12.181 6.112 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.799 -11.896 7.216 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.961 -10.823 8.318 1.00 0.83 H new ATOM 0 HG2 GLU A 16 5.280 -12.846 8.563 1.00 1.28 H new ATOM 0 HG3 GLU A 16 6.616 -13.788 7.934 1.00 1.28 H new ATOM 236 N ASP A 17 3.872 -10.964 7.888 1.00 0.77 N ATOM 237 CA ASP A 17 2.779 -10.214 8.499 1.00 0.82 C ATOM 238 C ASP A 17 3.260 -9.535 9.778 1.00 0.79 C ATOM 239 O ASP A 17 2.465 -9.006 10.558 1.00 1.05 O ATOM 240 CB ASP A 17 1.601 -11.140 8.813 1.00 1.00 C ATOM 241 CG ASP A 17 1.959 -12.216 9.818 1.00 1.27 C ATOM 242 OD1 ASP A 17 2.453 -13.284 9.401 1.00 1.94 O ATOM 243 OD2 ASP A 17 1.750 -12.003 11.031 1.00 1.78 O ATOM 0 H ASP A 17 3.888 -11.955 8.130 1.00 0.77 H new ATOM 0 HA ASP A 17 2.446 -9.453 7.793 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.771 -10.548 9.200 1.00 1.00 H new ATOM 0 HB3 ASP A 17 1.256 -11.609 7.891 1.00 1.00 H new ATOM 248 N SER A 18 4.568 -9.561 9.980 1.00 0.74 N ATOM 249 CA SER A 18 5.186 -8.963 11.148 1.00 0.75 C ATOM 250 C SER A 18 5.258 -7.448 10.998 1.00 0.69 C ATOM 251 O SER A 18 5.746 -6.934 9.993 1.00 0.78 O ATOM 252 CB SER A 18 6.587 -9.549 11.355 1.00 0.84 C ATOM 253 OG SER A 18 7.449 -8.619 11.987 1.00 1.61 O ATOM 0 H SER A 18 5.229 -9.998 9.338 1.00 0.74 H new ATOM 0 HA SER A 18 4.577 -9.190 12.023 1.00 0.75 H new ATOM 0 HB2 SER A 18 6.519 -10.453 11.960 1.00 0.84 H new ATOM 0 HB3 SER A 18 7.007 -9.840 10.392 1.00 0.84 H new ATOM 0 HG SER A 18 7.002 -8.240 12.773 1.00 1.61 H new ATOM 259 N GLN A 19 4.782 -6.744 12.014 1.00 0.76 N ATOM 260 CA GLN A 19 4.787 -5.287 12.011 1.00 0.79 C ATOM 261 C GLN A 19 6.224 -4.774 12.023 1.00 0.73 C ATOM 262 O GLN A 19 6.544 -3.739 11.432 1.00 0.73 O ATOM 263 CB GLN A 19 4.020 -4.763 13.231 1.00 1.04 C ATOM 264 CG GLN A 19 2.893 -5.686 13.673 1.00 1.45 C ATOM 265 CD GLN A 19 1.790 -4.966 14.427 1.00 2.07 C ATOM 266 OE1 GLN A 19 0.798 -4.527 13.835 1.00 2.64 O ATOM 267 NE2 GLN A 19 1.946 -4.846 15.735 1.00 2.54 N ATOM 0 H GLN A 19 4.385 -7.160 12.856 1.00 0.76 H new ATOM 0 HA GLN A 19 4.296 -4.926 11.108 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.716 -4.628 14.059 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.607 -3.782 12.998 1.00 1.04 H new ATOM 0 HG2 GLN A 19 2.466 -6.173 12.796 1.00 1.45 H new ATOM 0 HG3 GLN A 19 3.304 -6.472 14.306 1.00 1.45 H new ATOM 0 HE21 GLN A 19 2.780 -5.222 16.186 1.00 2.54 H new ATOM 0 HE22 GLN A 19 1.232 -4.377 16.293 1.00 2.54 H new ATOM 276 N GLU A 20 7.083 -5.531 12.690 1.00 0.80 N ATOM 277 CA GLU A 20 8.493 -5.198 12.805 1.00 0.87 C ATOM 278 C GLU A 20 9.194 -5.292 11.447 1.00 0.75 C ATOM 279 O GLU A 20 9.941 -4.390 11.059 1.00 0.80 O ATOM 280 CB GLU A 20 9.173 -6.139 13.811 1.00 1.09 C ATOM 281 CG GLU A 20 8.381 -6.355 15.097 1.00 1.59 C ATOM 282 CD GLU A 20 7.515 -7.603 15.050 1.00 2.23 C ATOM 283 OE1 GLU A 20 6.486 -7.594 14.340 1.00 2.99 O ATOM 284 OE2 GLU A 20 7.860 -8.600 15.719 1.00 2.69 O ATOM 0 H GLU A 20 6.821 -6.394 13.167 1.00 0.80 H new ATOM 0 HA GLU A 20 8.572 -4.170 13.159 1.00 0.87 H new ATOM 0 HB2 GLU A 20 9.340 -7.104 13.333 1.00 1.09 H new ATOM 0 HB3 GLU A 20 10.153 -5.735 14.064 1.00 1.09 H new ATOM 0 HG2 GLU A 20 9.072 -6.429 15.936 1.00 1.59 H new ATOM 0 HG3 GLU A 20 7.749 -5.486 15.280 1.00 1.59 H new ATOM 291 N SER A 21 8.943 -6.378 10.719 1.00 0.69 N ATOM 292 CA SER A 21 9.569 -6.572 9.416 1.00 0.67 C ATOM 293 C SER A 21 9.033 -5.578 8.384 1.00 0.54 C ATOM 294 O SER A 21 9.797 -5.056 7.571 1.00 0.58 O ATOM 295 CB SER A 21 9.375 -8.010 8.925 1.00 0.74 C ATOM 296 OG SER A 21 8.008 -8.379 8.928 1.00 1.10 O ATOM 0 H SER A 21 8.316 -7.130 11.007 1.00 0.69 H new ATOM 0 HA SER A 21 10.637 -6.388 9.536 1.00 0.67 H new ATOM 0 HB2 SER A 21 9.777 -8.109 7.917 1.00 0.74 H new ATOM 0 HB3 SER A 21 9.939 -8.692 9.562 1.00 0.74 H new ATOM 0 HG SER A 21 7.475 -7.657 9.322 1.00 1.10 H new ATOM 302 N ILE A 22 7.728 -5.310 8.426 1.00 0.47 N ATOM 303 CA ILE A 22 7.113 -4.366 7.495 1.00 0.42 C ATOM 304 C ILE A 22 7.755 -2.987 7.634 1.00 0.42 C ATOM 305 O ILE A 22 8.107 -2.353 6.639 1.00 0.42 O ATOM 306 CB ILE A 22 5.585 -4.251 7.713 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.888 -5.581 7.394 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.998 -3.135 6.858 1.00 0.54 C ATOM 309 CD1 ILE A 22 5.036 -6.023 5.951 1.00 0.88 C ATOM 0 H ILE A 22 7.080 -5.731 9.091 1.00 0.47 H new ATOM 0 HA ILE A 22 7.282 -4.750 6.489 1.00 0.42 H new ATOM 0 HB ILE A 22 5.414 -4.011 8.762 1.00 0.47 H new ATOM 0 HG12 ILE A 22 5.292 -6.357 8.044 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.827 -5.489 7.628 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.923 -3.073 7.028 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.463 -2.187 7.128 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.187 -3.345 5.805 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.517 -6.970 5.805 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.605 -5.268 5.293 1.00 0.88 H new ATOM 0 HD13 ILE A 22 6.093 -6.149 5.716 1.00 0.88 H new ATOM 321 N SER A 23 7.937 -2.547 8.876 1.00 0.46 N ATOM 322 CA SER A 23 8.543 -1.251 9.150 1.00 0.50 C ATOM 323 C SER A 23 9.990 -1.221 8.658 1.00 0.49 C ATOM 324 O SER A 23 10.507 -0.174 8.269 1.00 0.55 O ATOM 325 CB SER A 23 8.495 -0.950 10.648 1.00 0.59 C ATOM 326 OG SER A 23 8.736 0.426 10.903 1.00 1.18 O ATOM 0 H SER A 23 7.672 -3.072 9.710 1.00 0.46 H new ATOM 0 HA SER A 23 7.977 -0.487 8.617 1.00 0.50 H new ATOM 0 HB2 SER A 23 7.521 -1.231 11.047 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.239 -1.555 11.167 1.00 0.59 H new ATOM 0 HG SER A 23 8.698 0.591 11.868 1.00 1.18 H new ATOM 332 N SER A 24 10.633 -2.378 8.667 1.00 0.50 N ATOM 333 CA SER A 24 12.012 -2.483 8.221 1.00 0.54 C ATOM 334 C SER A 24 12.103 -2.253 6.715 1.00 0.50 C ATOM 335 O SER A 24 13.097 -1.721 6.214 1.00 0.67 O ATOM 336 CB SER A 24 12.572 -3.859 8.584 1.00 0.62 C ATOM 337 OG SER A 24 12.464 -4.098 9.981 1.00 1.16 O ATOM 0 H SER A 24 10.221 -3.258 8.979 1.00 0.50 H new ATOM 0 HA SER A 24 12.604 -1.717 8.722 1.00 0.54 H new ATOM 0 HB2 SER A 24 12.033 -4.632 8.036 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.617 -3.923 8.280 1.00 0.62 H new ATOM 0 HG SER A 24 11.520 -4.195 10.224 1.00 1.16 H new ATOM 343 N ALA A 25 11.048 -2.634 6.005 1.00 0.42 N ATOM 344 CA ALA A 25 10.993 -2.471 4.562 1.00 0.40 C ATOM 345 C ALA A 25 10.697 -1.022 4.195 1.00 0.36 C ATOM 346 O ALA A 25 11.347 -0.450 3.316 1.00 0.37 O ATOM 347 CB ALA A 25 9.952 -3.403 3.960 1.00 0.45 C ATOM 0 H ALA A 25 10.215 -3.061 6.411 1.00 0.42 H new ATOM 0 HA ALA A 25 11.967 -2.733 4.149 1.00 0.40 H new ATOM 0 HB1 ALA A 25 9.924 -3.268 2.879 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.212 -4.436 4.190 1.00 0.45 H new ATOM 0 HB3 ALA A 25 8.972 -3.174 4.380 1.00 0.45 H new ATOM 353 N SER A 26 9.732 -0.426 4.884 1.00 0.36 N ATOM 354 CA SER A 26 9.358 0.956 4.627 1.00 0.37 C ATOM 355 C SER A 26 10.510 1.900 4.972 1.00 0.36 C ATOM 356 O SER A 26 10.698 2.932 4.322 1.00 0.37 O ATOM 357 CB SER A 26 8.105 1.318 5.422 1.00 0.46 C ATOM 358 OG SER A 26 8.127 0.725 6.708 1.00 1.32 O ATOM 0 H SER A 26 9.196 -0.879 5.624 1.00 0.36 H new ATOM 0 HA SER A 26 9.139 1.066 3.565 1.00 0.37 H new ATOM 0 HB2 SER A 26 8.033 2.401 5.519 1.00 0.46 H new ATOM 0 HB3 SER A 26 7.219 0.987 4.881 1.00 0.46 H new ATOM 0 HG SER A 26 8.057 1.424 7.392 1.00 1.32 H new ATOM 364 N LYS A 27 11.287 1.534 5.990 1.00 0.39 N ATOM 365 CA LYS A 27 12.429 2.339 6.413 1.00 0.44 C ATOM 366 C LYS A 27 13.471 2.424 5.302 1.00 0.39 C ATOM 367 O LYS A 27 14.154 3.439 5.155 1.00 0.45 O ATOM 368 CB LYS A 27 13.065 1.755 7.679 1.00 0.53 C ATOM 369 CG LYS A 27 13.012 2.694 8.875 1.00 0.90 C ATOM 370 CD LYS A 27 11.722 2.534 9.659 1.00 1.41 C ATOM 371 CE LYS A 27 11.849 1.457 10.730 1.00 1.90 C ATOM 372 NZ LYS A 27 12.721 1.888 11.853 1.00 2.38 N ATOM 0 H LYS A 27 11.146 0.685 6.537 1.00 0.39 H new ATOM 0 HA LYS A 27 12.067 3.343 6.633 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.557 0.825 7.935 1.00 0.53 H new ATOM 0 HB3 LYS A 27 14.105 1.504 7.471 1.00 0.53 H new ATOM 0 HG2 LYS A 27 13.862 2.498 9.529 1.00 0.90 H new ATOM 0 HG3 LYS A 27 13.104 3.725 8.533 1.00 0.90 H new ATOM 0 HD2 LYS A 27 11.458 3.483 10.126 1.00 1.41 H new ATOM 0 HD3 LYS A 27 10.911 2.277 8.978 1.00 1.41 H new ATOM 0 HE2 LYS A 27 10.859 1.209 11.114 1.00 1.90 H new ATOM 0 HE3 LYS A 27 12.254 0.549 10.284 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 12.534 1.294 12.686 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 13.718 1.791 11.575 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 12.522 2.882 12.085 1.00 2.38 H new ATOM 386 N TRP A 28 13.587 1.355 4.522 1.00 0.36 N ATOM 387 CA TRP A 28 14.539 1.313 3.420 1.00 0.38 C ATOM 388 C TRP A 28 13.974 2.058 2.216 1.00 0.35 C ATOM 389 O TRP A 28 14.706 2.709 1.472 1.00 0.43 O ATOM 390 CB TRP A 28 14.862 -0.137 3.048 1.00 0.42 C ATOM 391 CG TRP A 28 15.997 -0.275 2.073 1.00 0.54 C ATOM 392 CD1 TRP A 28 17.214 0.341 2.136 1.00 0.73 C ATOM 393 CD2 TRP A 28 16.021 -1.085 0.894 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.987 -0.028 1.062 1.00 0.86 N ATOM 395 CE2 TRP A 28 17.280 -0.907 0.288 1.00 0.79 C ATOM 396 CE3 TRP A 28 15.102 -1.948 0.292 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.639 -1.554 -0.892 1.00 0.94 C ATOM 398 CZ3 TRP A 28 15.458 -2.590 -0.878 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.718 -2.394 -1.458 1.00 0.98 C ATOM 0 H TRP A 28 13.033 0.506 4.633 1.00 0.36 H new ATOM 0 HA TRP A 28 15.462 1.800 3.734 1.00 0.38 H new ATOM 0 HB2 TRP A 28 15.106 -0.689 3.956 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.972 -0.600 2.623 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.524 1.020 2.917 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.934 0.300 0.872 1.00 0.86 H new ATOM 0 HE3 TRP A 28 14.130 -2.110 0.734 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.608 -1.399 -1.344 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 14.752 -3.255 -1.354 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.968 -2.916 -2.370 1.00 0.98 H new ATOM 410 N LEU A 29 12.661 1.974 2.044 1.00 0.32 N ATOM 411 CA LEU A 29 11.989 2.640 0.937 1.00 0.35 C ATOM 412 C LEU A 29 12.129 4.156 1.047 1.00 0.36 C ATOM 413 O LEU A 29 12.380 4.832 0.053 1.00 0.39 O ATOM 414 CB LEU A 29 10.505 2.255 0.897 1.00 0.41 C ATOM 415 CG LEU A 29 10.080 1.420 -0.312 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.607 -0.001 -0.189 1.00 1.10 C ATOM 417 CD2 LEU A 29 8.563 1.425 -0.460 1.00 1.30 C ATOM 0 H LEU A 29 12.039 1.449 2.659 1.00 0.32 H new ATOM 0 HA LEU A 29 12.464 2.313 0.012 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.266 1.700 1.804 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.909 3.167 0.916 1.00 0.41 H new ATOM 0 HG LEU A 29 10.510 1.866 -1.209 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.295 -0.581 -1.058 1.00 1.10 H new ATOM 0 HD12 LEU A 29 11.696 0.018 -0.137 1.00 1.10 H new ATOM 0 HD13 LEU A 29 10.208 -0.460 0.716 1.00 1.10 H new ATOM 0 HD21 LEU A 29 8.280 0.826 -1.325 1.00 1.30 H new ATOM 0 HD22 LEU A 29 8.109 1.004 0.437 1.00 1.30 H new ATOM 0 HD23 LEU A 29 8.214 2.448 -0.598 1.00 1.30 H new ATOM 429 N LEU A 30 11.995 4.677 2.264 1.00 0.38 N ATOM 430 CA LEU A 30 12.098 6.115 2.500 1.00 0.44 C ATOM 431 C LEU A 30 13.497 6.642 2.189 1.00 0.48 C ATOM 432 O LEU A 30 13.679 7.837 1.959 1.00 0.60 O ATOM 433 CB LEU A 30 11.744 6.450 3.951 1.00 0.51 C ATOM 434 CG LEU A 30 10.251 6.441 4.293 1.00 0.72 C ATOM 435 CD1 LEU A 30 10.033 6.992 5.692 1.00 1.06 C ATOM 436 CD2 LEU A 30 9.457 7.250 3.277 1.00 1.00 C ATOM 0 H LEU A 30 11.815 4.125 3.102 1.00 0.38 H new ATOM 0 HA LEU A 30 11.390 6.600 1.828 1.00 0.44 H new ATOM 0 HB2 LEU A 30 12.251 5.738 4.602 1.00 0.51 H new ATOM 0 HB3 LEU A 30 12.145 7.436 4.184 1.00 0.51 H new ATOM 0 HG LEU A 30 9.897 5.411 4.259 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.968 6.981 5.925 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.569 6.375 6.414 1.00 1.06 H new ATOM 0 HD13 LEU A 30 10.405 8.015 5.742 1.00 1.06 H new ATOM 0 HD21 LEU A 30 8.400 7.229 3.541 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.810 8.281 3.277 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.592 6.820 2.284 1.00 1.00 H new ATOM 448 N LEU A 31 14.482 5.753 2.188 1.00 0.45 N ATOM 449 CA LEU A 31 15.858 6.145 1.910 1.00 0.53 C ATOM 450 C LEU A 31 16.057 6.382 0.423 1.00 0.54 C ATOM 451 O LEU A 31 16.847 7.237 0.020 1.00 0.70 O ATOM 452 CB LEU A 31 16.829 5.082 2.416 1.00 0.58 C ATOM 453 CG LEU A 31 16.735 4.797 3.913 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.772 3.767 4.321 1.00 1.59 C ATOM 455 CD2 LEU A 31 16.904 6.078 4.718 1.00 1.71 C ATOM 0 H LEU A 31 14.355 4.759 2.376 1.00 0.45 H new ATOM 0 HA LEU A 31 16.062 7.078 2.436 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.649 4.155 1.871 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.846 5.397 2.182 1.00 0.58 H new ATOM 0 HG LEU A 31 15.745 4.393 4.124 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.692 3.575 5.391 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.601 2.841 3.772 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.769 4.145 4.094 1.00 1.59 H new ATOM 0 HD21 LEU A 31 16.833 5.851 5.782 1.00 1.71 H new ATOM 0 HD22 LEU A 31 17.879 6.516 4.504 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.121 6.785 4.445 1.00 1.71 H new ATOM 467 N GLN A 32 15.326 5.633 -0.383 1.00 0.49 N ATOM 468 CA GLN A 32 15.404 5.762 -1.826 1.00 0.56 C ATOM 469 C GLN A 32 14.168 6.486 -2.347 1.00 0.48 C ATOM 470 O GLN A 32 13.404 5.960 -3.153 1.00 0.53 O ATOM 471 CB GLN A 32 15.564 4.389 -2.484 1.00 0.69 C ATOM 472 CG GLN A 32 14.615 3.326 -1.949 1.00 0.80 C ATOM 473 CD GLN A 32 15.002 1.931 -2.393 1.00 1.09 C ATOM 474 OE1 GLN A 32 15.567 1.742 -3.468 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.707 0.947 -1.564 1.00 1.25 N ATOM 0 H GLN A 32 14.667 4.925 -0.059 1.00 0.49 H new ATOM 0 HA GLN A 32 16.283 6.353 -2.084 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.407 4.493 -3.558 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.590 4.048 -2.343 1.00 0.69 H new ATOM 0 HG2 GLN A 32 14.604 3.368 -0.860 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.602 3.544 -2.287 1.00 0.80 H new ATOM 0 HE21 GLN A 32 14.237 1.148 -0.681 1.00 1.25 H new ATOM 0 HE22 GLN A 32 14.949 -0.014 -1.806 1.00 1.25 H new ATOM 484 N TYR A 33 13.988 7.709 -1.868 1.00 0.47 N ATOM 485 CA TYR A 33 12.853 8.545 -2.246 1.00 0.47 C ATOM 486 C TYR A 33 12.834 8.833 -3.748 1.00 0.46 C ATOM 487 O TYR A 33 11.790 9.158 -4.311 1.00 0.50 O ATOM 488 CB TYR A 33 12.889 9.859 -1.455 1.00 0.57 C ATOM 489 CG TYR A 33 14.148 10.670 -1.682 1.00 0.70 C ATOM 490 CD1 TYR A 33 15.345 10.328 -1.058 1.00 1.35 C ATOM 491 CD2 TYR A 33 14.140 11.767 -2.531 1.00 1.41 C ATOM 492 CE1 TYR A 33 16.496 11.061 -1.274 1.00 1.55 C ATOM 493 CE2 TYR A 33 15.288 12.501 -2.755 1.00 1.59 C ATOM 494 CZ TYR A 33 16.462 12.143 -2.124 1.00 1.27 C ATOM 495 OH TYR A 33 17.612 12.865 -2.354 1.00 1.61 O ATOM 0 H TYR A 33 14.625 8.152 -1.205 1.00 0.47 H new ATOM 0 HA TYR A 33 11.941 7.999 -2.006 1.00 0.47 H new ATOM 0 HB2 TYR A 33 12.024 10.462 -1.730 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.797 9.636 -0.392 1.00 0.57 H new ATOM 0 HD1 TYR A 33 15.374 9.476 -0.395 1.00 1.35 H new ATOM 0 HD2 TYR A 33 13.222 12.051 -3.024 1.00 1.41 H new ATOM 0 HE1 TYR A 33 17.416 10.787 -0.779 1.00 1.55 H new ATOM 0 HE2 TYR A 33 15.267 13.351 -3.421 1.00 1.59 H new ATOM 0 HH TYR A 33 17.420 13.596 -2.978 1.00 1.61 H new ATOM 505 N ARG A 34 13.986 8.700 -4.393 1.00 0.47 N ATOM 506 CA ARG A 34 14.086 8.947 -5.825 1.00 0.53 C ATOM 507 C ARG A 34 13.534 7.763 -6.611 1.00 0.48 C ATOM 508 O ARG A 34 13.303 7.853 -7.817 1.00 0.56 O ATOM 509 CB ARG A 34 15.536 9.209 -6.225 1.00 0.64 C ATOM 510 CG ARG A 34 16.173 10.360 -5.470 1.00 1.12 C ATOM 511 CD ARG A 34 17.668 10.423 -5.717 1.00 1.55 C ATOM 512 NE ARG A 34 18.356 11.206 -4.695 1.00 2.28 N ATOM 513 CZ ARG A 34 19.628 11.026 -4.355 1.00 2.92 C ATOM 514 NH1 ARG A 34 20.361 10.106 -4.971 1.00 2.94 N ATOM 515 NH2 ARG A 34 20.163 11.761 -3.392 1.00 3.97 N ATOM 0 H ARG A 34 14.861 8.423 -3.949 1.00 0.47 H new ATOM 0 HA ARG A 34 13.494 9.831 -6.060 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.121 8.305 -6.054 1.00 0.64 H new ATOM 0 HB3 ARG A 34 15.578 9.419 -7.294 1.00 0.64 H new ATOM 0 HG2 ARG A 34 15.712 11.299 -5.778 1.00 1.12 H new ATOM 0 HG3 ARG A 34 15.983 10.246 -4.403 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.076 9.412 -5.736 1.00 1.55 H new ATOM 0 HD3 ARG A 34 17.856 10.861 -6.697 1.00 1.55 H new ATOM 0 HE ARG A 34 17.829 11.935 -4.213 1.00 2.28 H new ATOM 0 HH11 ARG A 34 19.948 9.534 -5.708 1.00 2.94 H new ATOM 0 HH12 ARG A 34 21.337 9.971 -4.707 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.599 12.463 -2.913 1.00 3.97 H new ATOM 0 HH22 ARG A 34 21.139 11.625 -3.129 1.00 3.97 H new ATOM 529 N ASP A 35 13.312 6.657 -5.917 1.00 0.46 N ATOM 530 CA ASP A 35 12.788 5.453 -6.544 1.00 0.50 C ATOM 531 C ASP A 35 11.296 5.322 -6.281 1.00 0.41 C ATOM 532 O ASP A 35 10.680 4.314 -6.628 1.00 0.38 O ATOM 533 CB ASP A 35 13.522 4.220 -6.020 1.00 0.68 C ATOM 534 CG ASP A 35 14.129 3.400 -7.138 1.00 1.04 C ATOM 535 OD1 ASP A 35 15.055 3.905 -7.812 1.00 1.58 O ATOM 536 OD2 ASP A 35 13.681 2.257 -7.361 1.00 1.70 O ATOM 0 H ASP A 35 13.487 6.568 -4.916 1.00 0.46 H new ATOM 0 HA ASP A 35 12.948 5.528 -7.620 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.308 4.532 -5.332 1.00 0.68 H new ATOM 0 HB3 ASP A 35 12.828 3.600 -5.452 1.00 0.68 H new ATOM 541 N ALA A 36 10.726 6.364 -5.680 1.00 0.40 N ATOM 542 CA ALA A 36 9.304 6.397 -5.350 1.00 0.37 C ATOM 543 C ALA A 36 8.416 6.049 -6.557 1.00 0.32 C ATOM 544 O ALA A 36 7.569 5.166 -6.451 1.00 0.33 O ATOM 545 CB ALA A 36 8.918 7.750 -4.760 1.00 0.43 C ATOM 0 H ALA A 36 11.235 7.206 -5.409 1.00 0.40 H new ATOM 0 HA ALA A 36 9.131 5.628 -4.598 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.854 7.753 -4.521 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.494 7.929 -3.852 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.129 8.536 -5.484 1.00 0.43 H new ATOM 551 N PRO A 37 8.583 6.720 -7.721 1.00 0.35 N ATOM 552 CA PRO A 37 7.770 6.426 -8.909 1.00 0.37 C ATOM 553 C PRO A 37 7.963 4.993 -9.401 1.00 0.35 C ATOM 554 O PRO A 37 7.039 4.373 -9.925 1.00 0.42 O ATOM 555 CB PRO A 37 8.277 7.423 -9.961 1.00 0.46 C ATOM 556 CG PRO A 37 9.618 7.852 -9.474 1.00 0.50 C ATOM 557 CD PRO A 37 9.536 7.817 -7.978 1.00 0.42 C ATOM 0 HA PRO A 37 6.704 6.520 -8.699 1.00 0.37 H new ATOM 0 HB2 PRO A 37 8.345 6.958 -10.944 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.602 8.273 -10.056 1.00 0.46 H new ATOM 0 HG2 PRO A 37 10.399 7.185 -9.839 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.862 8.853 -9.830 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.508 7.621 -7.525 1.00 0.42 H new ATOM 0 HD3 PRO A 37 9.180 8.764 -7.571 1.00 0.42 H new ATOM 565 N LYS A 38 9.165 4.469 -9.204 1.00 0.34 N ATOM 566 CA LYS A 38 9.498 3.120 -9.636 1.00 0.36 C ATOM 567 C LYS A 38 8.834 2.077 -8.745 1.00 0.34 C ATOM 568 O LYS A 38 8.165 1.169 -9.237 1.00 0.39 O ATOM 569 CB LYS A 38 11.014 2.925 -9.640 1.00 0.41 C ATOM 570 CG LYS A 38 11.706 3.547 -10.845 1.00 0.60 C ATOM 571 CD LYS A 38 13.206 3.667 -10.628 1.00 1.32 C ATOM 572 CE LYS A 38 13.866 2.304 -10.471 1.00 2.00 C ATOM 573 NZ LYS A 38 15.268 2.427 -9.995 1.00 2.78 N ATOM 0 H LYS A 38 9.930 4.962 -8.744 1.00 0.34 H new ATOM 0 HA LYS A 38 9.120 2.987 -10.650 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.430 3.357 -8.730 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.235 1.858 -9.616 1.00 0.41 H new ATOM 0 HG2 LYS A 38 11.513 2.940 -11.730 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.285 4.534 -11.038 1.00 0.60 H new ATOM 0 HD2 LYS A 38 13.654 4.193 -11.471 1.00 1.32 H new ATOM 0 HD3 LYS A 38 13.398 4.268 -9.739 1.00 1.32 H new ATOM 0 HE2 LYS A 38 13.293 1.701 -9.766 1.00 2.00 H new ATOM 0 HE3 LYS A 38 13.850 1.779 -11.426 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 15.552 1.546 -9.520 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 15.896 2.601 -10.806 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 15.339 3.220 -9.325 1.00 2.78 H new ATOM 587 N VAL A 39 9.000 2.212 -7.435 1.00 0.31 N ATOM 588 CA VAL A 39 8.407 1.262 -6.501 1.00 0.31 C ATOM 589 C VAL A 39 6.886 1.376 -6.500 1.00 0.29 C ATOM 590 O VAL A 39 6.187 0.403 -6.227 1.00 0.31 O ATOM 591 CB VAL A 39 8.953 1.427 -5.062 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.439 1.102 -5.013 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.696 2.827 -4.525 1.00 0.33 C ATOM 0 H VAL A 39 9.535 2.962 -6.998 1.00 0.31 H new ATOM 0 HA VAL A 39 8.691 0.268 -6.847 1.00 0.31 H new ATOM 0 HB VAL A 39 8.420 0.723 -4.423 1.00 0.34 H new ATOM 0 HG11 VAL A 39 10.805 1.224 -3.993 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.597 0.073 -5.335 1.00 0.39 H new ATOM 0 HG13 VAL A 39 10.981 1.777 -5.676 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.092 2.907 -3.513 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.188 3.559 -5.166 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.623 3.020 -4.511 1.00 0.33 H new ATOM 603 N ALA A 40 6.375 2.561 -6.832 1.00 0.27 N ATOM 604 CA ALA A 40 4.937 2.786 -6.882 1.00 0.28 C ATOM 605 C ALA A 40 4.303 1.948 -7.986 1.00 0.28 C ATOM 606 O ALA A 40 3.338 1.217 -7.752 1.00 0.29 O ATOM 607 CB ALA A 40 4.635 4.261 -7.100 1.00 0.32 C ATOM 0 H ALA A 40 6.938 3.378 -7.070 1.00 0.27 H new ATOM 0 HA ALA A 40 4.509 2.482 -5.927 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.556 4.410 -7.135 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.056 4.844 -6.280 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.077 4.588 -8.041 1.00 0.32 H new ATOM 613 N GLU A 41 4.855 2.045 -9.193 1.00 0.31 N ATOM 614 CA GLU A 41 4.337 1.287 -10.321 1.00 0.36 C ATOM 615 C GLU A 41 4.641 -0.197 -10.140 1.00 0.35 C ATOM 616 O GLU A 41 3.840 -1.052 -10.513 1.00 0.38 O ATOM 617 CB GLU A 41 4.914 1.797 -11.646 1.00 0.44 C ATOM 618 CG GLU A 41 6.432 1.753 -11.723 1.00 0.52 C ATOM 619 CD GLU A 41 6.946 2.008 -13.121 1.00 0.74 C ATOM 620 OE1 GLU A 41 6.979 3.183 -13.541 1.00 1.40 O ATOM 621 OE2 GLU A 41 7.304 1.035 -13.817 1.00 1.37 O ATOM 0 H GLU A 41 5.656 2.638 -9.411 1.00 0.31 H new ATOM 0 HA GLU A 41 3.256 1.425 -10.355 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.503 1.202 -12.461 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.583 2.824 -11.802 1.00 0.44 H new ATOM 0 HG2 GLU A 41 6.849 2.497 -11.044 1.00 0.52 H new ATOM 0 HG3 GLU A 41 6.782 0.779 -11.382 1.00 0.52 H new ATOM 628 N MET A 42 5.796 -0.487 -9.547 1.00 0.35 N ATOM 629 CA MET A 42 6.210 -1.860 -9.292 1.00 0.40 C ATOM 630 C MET A 42 5.215 -2.529 -8.354 1.00 0.35 C ATOM 631 O MET A 42 4.831 -3.683 -8.551 1.00 0.35 O ATOM 632 CB MET A 42 7.607 -1.882 -8.666 1.00 0.51 C ATOM 633 CG MET A 42 8.479 -3.032 -9.145 1.00 1.09 C ATOM 634 SD MET A 42 10.017 -3.176 -8.212 1.00 0.98 S ATOM 635 CE MET A 42 10.793 -1.597 -8.568 1.00 1.51 C ATOM 0 H MET A 42 6.464 0.217 -9.233 1.00 0.35 H new ATOM 0 HA MET A 42 6.238 -2.403 -10.237 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.109 -0.941 -8.889 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.508 -1.941 -7.582 1.00 0.51 H new ATOM 0 HG2 MET A 42 7.921 -3.964 -9.063 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.711 -2.891 -10.201 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.877 -1.707 -8.529 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.498 -1.262 -9.562 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.477 -0.861 -7.829 1.00 1.51 H new ATOM 645 N TRP A 43 4.801 -1.779 -7.340 1.00 0.32 N ATOM 646 CA TRP A 43 3.838 -2.248 -6.360 1.00 0.30 C ATOM 647 C TRP A 43 2.499 -2.532 -7.032 1.00 0.27 C ATOM 648 O TRP A 43 1.924 -3.607 -6.866 1.00 0.28 O ATOM 649 CB TRP A 43 3.681 -1.187 -5.269 1.00 0.30 C ATOM 650 CG TRP A 43 2.659 -1.512 -4.221 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.741 -2.483 -3.266 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.407 -0.849 -4.016 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.614 -2.465 -2.482 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.779 -1.472 -2.923 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.756 0.210 -4.652 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.467 -1.069 -2.452 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.480 0.609 -4.186 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.082 -0.029 -3.095 1.00 0.41 C ATOM 0 H TRP A 43 5.127 -0.826 -7.177 1.00 0.32 H new ATOM 0 HA TRP A 43 4.193 -3.175 -5.910 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.646 -1.040 -4.783 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.412 -0.240 -5.738 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.570 -3.165 -3.145 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.428 -3.090 -1.698 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.212 0.708 -5.495 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.932 -1.559 -1.609 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -0.992 1.427 -4.671 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.051 0.306 -2.754 1.00 0.41 H new ATOM 669 N LYS A 44 2.025 -1.562 -7.810 1.00 0.27 N ATOM 670 CA LYS A 44 0.759 -1.686 -8.522 1.00 0.28 C ATOM 671 C LYS A 44 0.771 -2.900 -9.451 1.00 0.30 C ATOM 672 O LYS A 44 -0.174 -3.691 -9.470 1.00 0.31 O ATOM 673 CB LYS A 44 0.487 -0.406 -9.325 1.00 0.32 C ATOM 674 CG LYS A 44 -0.722 -0.496 -10.251 1.00 0.46 C ATOM 675 CD LYS A 44 -0.309 -0.560 -11.715 1.00 0.66 C ATOM 676 CE LYS A 44 -1.498 -0.854 -12.617 1.00 1.03 C ATOM 677 NZ LYS A 44 -1.100 -0.961 -14.046 1.00 1.11 N ATOM 0 H LYS A 44 2.505 -0.675 -7.963 1.00 0.27 H new ATOM 0 HA LYS A 44 -0.037 -1.828 -7.791 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.338 0.421 -8.631 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.369 -0.168 -9.919 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -1.308 -1.380 -9.999 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.366 0.369 -10.093 1.00 0.46 H new ATOM 0 HD2 LYS A 44 0.146 0.386 -12.008 1.00 0.66 H new ATOM 0 HD3 LYS A 44 0.449 -1.332 -11.847 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -1.971 -1.784 -12.302 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -2.241 -0.065 -12.506 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 -1.749 -1.606 -14.540 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -1.142 -0.021 -14.489 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 -0.130 -1.331 -14.109 1.00 1.11 H new ATOM 691 N GLU A 45 1.854 -3.045 -10.207 1.00 0.35 N ATOM 692 CA GLU A 45 2.001 -4.148 -11.147 1.00 0.41 C ATOM 693 C GLU A 45 1.981 -5.495 -10.441 1.00 0.40 C ATOM 694 O GLU A 45 1.275 -6.411 -10.860 1.00 0.46 O ATOM 695 CB GLU A 45 3.296 -3.996 -11.941 1.00 0.51 C ATOM 696 CG GLU A 45 3.196 -2.960 -13.045 1.00 0.73 C ATOM 697 CD GLU A 45 2.110 -3.294 -14.042 1.00 1.21 C ATOM 698 OE1 GLU A 45 2.173 -4.385 -14.647 1.00 1.76 O ATOM 699 OE2 GLU A 45 1.184 -2.473 -14.229 1.00 1.96 O ATOM 0 H GLU A 45 2.649 -2.406 -10.185 1.00 0.35 H new ATOM 0 HA GLU A 45 1.151 -4.115 -11.829 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.102 -3.718 -11.262 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.564 -4.959 -12.377 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.997 -1.982 -12.607 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.153 -2.889 -13.562 1.00 0.73 H new ATOM 706 N TYR A 46 2.751 -5.604 -9.367 1.00 0.39 N ATOM 707 CA TYR A 46 2.834 -6.842 -8.606 1.00 0.42 C ATOM 708 C TYR A 46 1.496 -7.174 -7.945 1.00 0.40 C ATOM 709 O TYR A 46 1.022 -8.307 -8.019 1.00 0.45 O ATOM 710 CB TYR A 46 3.940 -6.733 -7.547 1.00 0.45 C ATOM 711 CG TYR A 46 4.087 -7.961 -6.670 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.792 -9.079 -7.103 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.520 -7.998 -5.401 1.00 1.06 C ATOM 714 CE1 TYR A 46 4.926 -10.196 -6.297 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.649 -9.109 -4.590 1.00 1.12 C ATOM 716 CZ TYR A 46 4.353 -10.205 -5.042 1.00 1.03 C ATOM 717 OH TYR A 46 4.485 -11.315 -4.238 1.00 1.27 O ATOM 0 H TYR A 46 3.329 -4.847 -9.002 1.00 0.39 H new ATOM 0 HA TYR A 46 3.077 -7.651 -9.295 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.889 -6.543 -8.048 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.736 -5.870 -6.913 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.242 -9.075 -8.085 1.00 1.39 H new ATOM 0 HD2 TYR A 46 2.968 -7.142 -5.042 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.476 -11.056 -6.649 1.00 1.58 H new ATOM 0 HE2 TYR A 46 3.201 -9.119 -3.607 1.00 1.12 H new ATOM 0 HH TYR A 46 5.343 -11.751 -4.421 1.00 1.27 H new ATOM 727 N MET A 47 0.880 -6.174 -7.326 1.00 0.36 N ATOM 728 CA MET A 47 -0.391 -6.360 -6.632 1.00 0.39 C ATOM 729 C MET A 47 -1.514 -6.770 -7.584 1.00 0.37 C ATOM 730 O MET A 47 -2.455 -7.458 -7.183 1.00 0.43 O ATOM 731 CB MET A 47 -0.782 -5.080 -5.891 1.00 0.42 C ATOM 732 CG MET A 47 0.034 -4.835 -4.633 1.00 0.57 C ATOM 733 SD MET A 47 -0.481 -5.873 -3.249 1.00 0.70 S ATOM 734 CE MET A 47 -2.069 -5.148 -2.855 1.00 0.37 C ATOM 0 H MET A 47 1.241 -5.221 -7.290 1.00 0.36 H new ATOM 0 HA MET A 47 -0.251 -7.171 -5.917 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.663 -4.230 -6.563 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.838 -5.131 -5.625 1.00 0.42 H new ATOM 0 HG2 MET A 47 1.087 -5.020 -4.847 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.054 -3.787 -4.347 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.134 -4.977 -1.781 1.00 0.37 H new ATOM 0 HE2 MET A 47 -2.176 -4.199 -3.381 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.865 -5.826 -3.163 1.00 0.37 H new ATOM 744 N LEU A 48 -1.419 -6.363 -8.842 1.00 0.37 N ATOM 745 CA LEU A 48 -2.449 -6.695 -9.817 1.00 0.41 C ATOM 746 C LEU A 48 -2.070 -7.915 -10.654 1.00 0.46 C ATOM 747 O LEU A 48 -2.672 -8.174 -11.696 1.00 0.59 O ATOM 748 CB LEU A 48 -2.737 -5.502 -10.732 1.00 0.45 C ATOM 749 CG LEU A 48 -3.356 -4.276 -10.049 1.00 0.57 C ATOM 750 CD1 LEU A 48 -3.957 -3.341 -11.086 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.413 -4.693 -9.035 1.00 0.88 C ATOM 0 H LEU A 48 -0.647 -5.807 -9.210 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.351 -6.940 -9.257 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.804 -5.198 -11.207 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.407 -5.830 -11.526 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.565 -3.748 -9.517 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -4.393 -2.476 -10.587 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -3.178 -3.010 -11.772 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -4.732 -3.866 -11.644 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.836 -3.805 -8.565 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -5.203 -5.248 -9.541 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -3.957 -5.325 -8.273 1.00 0.88 H new ATOM 763 N ARG A 49 -1.073 -8.662 -10.206 1.00 0.46 N ATOM 764 CA ARG A 49 -0.651 -9.857 -10.918 1.00 0.53 C ATOM 765 C ARG A 49 -1.436 -11.069 -10.429 1.00 0.54 C ATOM 766 O ARG A 49 -1.699 -11.206 -9.231 1.00 0.49 O ATOM 767 CB ARG A 49 0.851 -10.090 -10.751 1.00 0.60 C ATOM 768 CG ARG A 49 1.689 -9.348 -11.777 1.00 0.74 C ATOM 769 CD ARG A 49 3.171 -9.619 -11.595 1.00 1.01 C ATOM 770 NE ARG A 49 3.989 -8.830 -12.518 1.00 1.38 N ATOM 771 CZ ARG A 49 5.297 -9.016 -12.705 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.943 -9.963 -12.033 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.959 -8.253 -13.563 1.00 2.69 N ATOM 0 H ARG A 49 -0.544 -8.463 -9.357 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.855 -9.712 -11.979 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.152 -9.777 -9.751 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.057 -11.158 -10.827 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.385 -9.647 -12.780 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.502 -8.277 -11.694 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.458 -9.390 -10.569 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.368 -10.680 -11.752 1.00 1.01 H new ATOM 0 HE ARG A 49 3.530 -8.092 -13.052 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.439 -10.552 -11.370 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.943 -10.101 -12.180 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.469 -7.524 -14.080 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.959 -8.395 -13.706 1.00 2.69 H new ATOM 787 N PRO A 50 -1.832 -11.955 -11.356 1.00 0.65 N ATOM 788 CA PRO A 50 -2.601 -13.164 -11.029 1.00 0.71 C ATOM 789 C PRO A 50 -1.762 -14.220 -10.315 1.00 0.73 C ATOM 790 O PRO A 50 -2.296 -15.125 -9.673 1.00 0.78 O ATOM 791 CB PRO A 50 -3.048 -13.674 -12.401 1.00 0.89 C ATOM 792 CG PRO A 50 -2.016 -13.168 -13.349 1.00 0.94 C ATOM 793 CD PRO A 50 -1.572 -11.840 -12.805 1.00 0.77 C ATOM 0 HA PRO A 50 -3.422 -12.951 -10.344 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -3.103 -14.762 -12.420 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.039 -13.300 -12.658 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -1.178 -13.861 -13.420 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.427 -13.061 -14.353 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.518 -11.655 -13.010 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -2.132 -11.017 -13.249 1.00 0.77 H new ATOM 801 N SER A 51 -0.445 -14.093 -10.423 1.00 0.75 N ATOM 802 CA SER A 51 0.477 -15.029 -9.799 1.00 0.84 C ATOM 803 C SER A 51 0.622 -14.750 -8.304 1.00 0.76 C ATOM 804 O SER A 51 1.251 -15.514 -7.570 1.00 0.90 O ATOM 805 CB SER A 51 1.836 -14.917 -10.486 1.00 0.96 C ATOM 806 OG SER A 51 2.012 -13.614 -11.036 1.00 1.33 O ATOM 0 H SER A 51 0.010 -13.342 -10.943 1.00 0.75 H new ATOM 0 HA SER A 51 0.083 -16.039 -9.911 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.630 -15.126 -9.770 1.00 0.96 H new ATOM 0 HB3 SER A 51 1.914 -15.665 -11.275 1.00 0.96 H new ATOM 0 HG SER A 51 2.888 -13.558 -11.471 1.00 1.33 H new ATOM 812 N VAL A 52 0.031 -13.654 -7.858 1.00 0.59 N ATOM 813 CA VAL A 52 0.106 -13.261 -6.464 1.00 0.56 C ATOM 814 C VAL A 52 -1.143 -13.699 -5.709 1.00 0.50 C ATOM 815 O VAL A 52 -2.269 -13.396 -6.112 1.00 0.51 O ATOM 816 CB VAL A 52 0.292 -11.735 -6.325 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.456 -11.333 -4.867 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.488 -11.270 -7.144 1.00 0.57 C ATOM 0 H VAL A 52 -0.508 -13.019 -8.446 1.00 0.59 H new ATOM 0 HA VAL A 52 0.974 -13.758 -6.030 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.605 -11.249 -6.708 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.585 -10.253 -4.800 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.431 -11.628 -4.306 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.331 -11.830 -4.449 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.606 -10.192 -7.036 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.389 -11.771 -6.789 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.327 -11.514 -8.194 1.00 0.57 H new ATOM 828 N ASN A 53 -0.932 -14.438 -4.628 1.00 0.51 N ATOM 829 CA ASN A 53 -2.026 -14.920 -3.798 1.00 0.52 C ATOM 830 C ASN A 53 -2.592 -13.776 -2.965 1.00 0.48 C ATOM 831 O ASN A 53 -1.880 -12.819 -2.650 1.00 0.47 O ATOM 832 CB ASN A 53 -1.539 -16.052 -2.888 1.00 0.61 C ATOM 833 CG ASN A 53 -2.651 -16.660 -2.053 1.00 1.09 C ATOM 834 OD1 ASN A 53 -2.961 -16.178 -0.965 1.00 1.80 O ATOM 835 ND2 ASN A 53 -3.254 -17.726 -2.555 1.00 1.64 N ATOM 0 H ASN A 53 -0.006 -14.718 -4.304 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.815 -15.307 -4.442 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.083 -16.831 -3.499 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.762 -15.670 -2.226 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -4.006 -18.179 -2.035 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -2.967 -18.095 -3.462 1.00 1.64 H new ATOM 842 N THR A 54 -3.869 -13.878 -2.609 1.00 0.48 N ATOM 843 CA THR A 54 -4.545 -12.857 -1.819 1.00 0.49 C ATOM 844 C THR A 54 -3.814 -12.566 -0.507 1.00 0.47 C ATOM 845 O THR A 54 -3.780 -11.425 -0.047 1.00 0.47 O ATOM 846 CB THR A 54 -5.989 -13.287 -1.514 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.193 -14.634 -1.970 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.986 -12.356 -2.185 1.00 0.81 C ATOM 0 H THR A 54 -4.462 -14.669 -2.860 1.00 0.48 H new ATOM 0 HA THR A 54 -4.548 -11.943 -2.413 1.00 0.49 H new ATOM 0 HB THR A 54 -6.148 -13.236 -0.437 1.00 0.57 H new ATOM 0 HG1 THR A 54 -7.113 -14.910 -1.774 1.00 0.75 H new ATOM 0 HG21 THR A 54 -8.000 -12.682 -1.954 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.839 -11.340 -1.819 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.835 -12.378 -3.264 1.00 0.81 H new ATOM 856 N ARG A 55 -3.212 -13.594 0.083 1.00 0.50 N ATOM 857 CA ARG A 55 -2.486 -13.432 1.337 1.00 0.54 C ATOM 858 C ARG A 55 -1.262 -12.540 1.140 1.00 0.49 C ATOM 859 O ARG A 55 -0.895 -11.768 2.025 1.00 0.50 O ATOM 860 CB ARG A 55 -2.069 -14.794 1.894 1.00 0.65 C ATOM 861 CG ARG A 55 -2.539 -15.041 3.321 1.00 0.94 C ATOM 862 CD ARG A 55 -1.936 -14.035 4.288 1.00 1.52 C ATOM 863 NE ARG A 55 -2.368 -14.264 5.665 1.00 2.10 N ATOM 864 CZ ARG A 55 -1.549 -14.605 6.658 1.00 2.74 C ATOM 865 NH1 ARG A 55 -0.258 -14.808 6.429 1.00 3.00 N ATOM 866 NH2 ARG A 55 -2.027 -14.761 7.885 1.00 3.58 N ATOM 0 H ARG A 55 -3.213 -14.545 -0.286 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.149 -12.951 2.056 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.467 -15.578 1.249 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.982 -14.874 1.860 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.627 -14.981 3.363 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -2.264 -16.051 3.626 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -0.849 -14.091 4.236 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -2.218 -13.027 3.984 1.00 1.52 H new ATOM 0 HE ARG A 55 -3.359 -14.156 5.879 1.00 2.10 H new ATOM 0 HH11 ARG A 55 0.115 -14.703 5.486 1.00 3.00 H new ATOM 0 HH12 ARG A 55 0.361 -15.069 7.196 1.00 3.00 H new ATOM 0 HH21 ARG A 55 -3.021 -14.620 8.067 1.00 3.58 H new ATOM 0 HH22 ARG A 55 -1.401 -15.022 8.647 1.00 3.58 H new ATOM 880 N ARG A 56 -0.643 -12.638 -0.030 1.00 0.49 N ATOM 881 CA ARG A 56 0.531 -11.832 -0.338 1.00 0.48 C ATOM 882 C ARG A 56 0.125 -10.392 -0.614 1.00 0.43 C ATOM 883 O ARG A 56 0.858 -9.458 -0.290 1.00 0.46 O ATOM 884 CB ARG A 56 1.293 -12.408 -1.536 1.00 0.53 C ATOM 885 CG ARG A 56 2.466 -13.298 -1.146 1.00 0.67 C ATOM 886 CD ARG A 56 3.522 -12.520 -0.373 1.00 0.84 C ATOM 887 NE ARG A 56 4.679 -13.349 -0.025 1.00 1.55 N ATOM 888 CZ ARG A 56 4.722 -14.180 1.019 1.00 2.18 C ATOM 889 NH1 ARG A 56 3.664 -14.323 1.813 1.00 2.58 N ATOM 890 NH2 ARG A 56 5.829 -14.868 1.273 1.00 3.05 N ATOM 0 H ARG A 56 -0.934 -13.266 -0.779 1.00 0.49 H new ATOM 0 HA ARG A 56 1.193 -11.852 0.528 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.602 -12.983 -2.153 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.661 -11.586 -2.151 1.00 0.53 H new ATOM 0 HG2 ARG A 56 2.108 -14.129 -0.539 1.00 0.67 H new ATOM 0 HG3 ARG A 56 2.912 -13.728 -2.043 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.853 -11.670 -0.969 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.079 -12.117 0.538 1.00 0.84 H new ATOM 0 HE ARG A 56 5.506 -13.287 -0.619 1.00 1.55 H new ATOM 0 HH11 ARG A 56 2.811 -13.795 1.626 1.00 2.58 H new ATOM 0 HH12 ARG A 56 3.706 -14.960 2.608 1.00 2.58 H new ATOM 0 HH21 ARG A 56 6.645 -14.761 0.671 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.863 -15.503 2.070 1.00 3.05 H new ATOM 904 N LYS A 57 -1.054 -10.220 -1.201 1.00 0.38 N ATOM 905 CA LYS A 57 -1.567 -8.891 -1.511 1.00 0.36 C ATOM 906 C LYS A 57 -1.833 -8.121 -0.220 1.00 0.35 C ATOM 907 O LYS A 57 -1.687 -6.901 -0.168 1.00 0.36 O ATOM 908 CB LYS A 57 -2.837 -8.992 -2.359 1.00 0.37 C ATOM 909 CG LYS A 57 -2.644 -9.817 -3.621 1.00 0.39 C ATOM 910 CD LYS A 57 -3.694 -9.506 -4.674 1.00 0.59 C ATOM 911 CE LYS A 57 -3.484 -10.352 -5.920 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.076 -9.720 -7.128 1.00 0.46 N ATOM 0 H LYS A 57 -1.673 -10.984 -1.472 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.819 -8.348 -2.089 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.633 -9.435 -1.760 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.165 -7.989 -2.633 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.652 -9.625 -4.031 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.686 -10.877 -3.370 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.688 -9.692 -4.267 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.649 -8.449 -4.936 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.417 -10.506 -6.078 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.930 -11.335 -5.770 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -3.838 -10.286 -7.968 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.110 -9.673 -7.024 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.695 -8.759 -7.239 1.00 0.46 H new ATOM 926 N LEU A 58 -2.217 -8.849 0.826 1.00 0.36 N ATOM 927 CA LEU A 58 -2.466 -8.241 2.127 1.00 0.37 C ATOM 928 C LEU A 58 -1.169 -7.650 2.666 1.00 0.37 C ATOM 929 O LEU A 58 -1.147 -6.536 3.188 1.00 0.38 O ATOM 930 CB LEU A 58 -3.011 -9.275 3.114 1.00 0.42 C ATOM 931 CG LEU A 58 -4.405 -9.816 2.798 1.00 0.77 C ATOM 932 CD1 LEU A 58 -4.694 -11.052 3.633 1.00 1.26 C ATOM 933 CD2 LEU A 58 -5.460 -8.751 3.045 1.00 1.15 C ATOM 0 H LEU A 58 -2.362 -9.858 0.797 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.210 -7.453 2.008 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -2.316 -10.114 3.156 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -3.031 -8.828 4.108 1.00 0.42 H new ATOM 0 HG LEU A 58 -4.437 -10.093 1.744 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.690 -11.426 3.397 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -3.955 -11.822 3.411 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -4.644 -10.796 4.691 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -6.446 -9.155 2.814 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.429 -8.444 4.090 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -5.263 -7.889 2.408 1.00 1.15 H new ATOM 945 N LEU A 59 -0.089 -8.411 2.514 1.00 0.38 N ATOM 946 CA LEU A 59 1.233 -7.986 2.964 1.00 0.40 C ATOM 947 C LEU A 59 1.689 -6.766 2.170 1.00 0.37 C ATOM 948 O LEU A 59 2.248 -5.820 2.726 1.00 0.38 O ATOM 949 CB LEU A 59 2.245 -9.130 2.809 1.00 0.45 C ATOM 950 CG LEU A 59 2.446 -10.013 4.045 1.00 0.63 C ATOM 951 CD1 LEU A 59 1.119 -10.548 4.565 1.00 1.54 C ATOM 952 CD2 LEU A 59 3.382 -11.163 3.714 1.00 1.21 C ATOM 0 H LEU A 59 -0.105 -9.333 2.079 1.00 0.38 H new ATOM 0 HA LEU A 59 1.173 -7.718 4.019 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.925 -9.763 1.981 1.00 0.45 H new ATOM 0 HB3 LEU A 59 3.208 -8.703 2.530 1.00 0.45 H new ATOM 0 HG LEU A 59 2.891 -9.401 4.830 1.00 0.63 H new ATOM 0 HD11 LEU A 59 1.296 -11.171 5.442 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.472 -9.714 4.837 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.637 -11.143 3.789 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.520 -11.786 4.598 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.953 -11.762 2.911 1.00 1.21 H new ATOM 0 HD23 LEU A 59 4.346 -10.767 3.395 1.00 1.21 H new ATOM 964 N GLY A 60 1.432 -6.796 0.866 1.00 0.37 N ATOM 965 CA GLY A 60 1.802 -5.687 0.009 1.00 0.37 C ATOM 966 C GLY A 60 1.044 -4.428 0.374 1.00 0.35 C ATOM 967 O GLY A 60 1.587 -3.324 0.312 1.00 0.36 O ATOM 0 H GLY A 60 0.973 -7.571 0.388 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.874 -5.505 0.090 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.601 -5.946 -1.030 1.00 0.37 H new ATOM 971 N LEU A 61 -0.216 -4.596 0.759 1.00 0.35 N ATOM 972 CA LEU A 61 -1.055 -3.475 1.160 1.00 0.36 C ATOM 973 C LEU A 61 -0.572 -2.910 2.493 1.00 0.35 C ATOM 974 O LEU A 61 -0.602 -1.699 2.717 1.00 0.36 O ATOM 975 CB LEU A 61 -2.515 -3.920 1.271 1.00 0.40 C ATOM 976 CG LEU A 61 -3.514 -2.811 1.614 1.00 0.52 C ATOM 977 CD1 LEU A 61 -3.596 -1.799 0.482 1.00 1.23 C ATOM 978 CD2 LEU A 61 -4.885 -3.401 1.907 1.00 1.10 C ATOM 0 H LEU A 61 -0.680 -5.503 0.802 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.985 -2.695 0.402 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.812 -4.374 0.326 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.584 -4.696 2.033 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.165 -2.296 2.509 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -4.310 -1.018 0.743 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -2.614 -1.353 0.321 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -3.922 -2.299 -0.430 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -5.582 -2.599 2.149 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -5.243 -3.941 1.031 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -4.813 -4.086 2.752 1.00 1.10 H new ATOM 990 N TYR A 62 -0.114 -3.801 3.364 1.00 0.36 N ATOM 991 CA TYR A 62 0.390 -3.412 4.674 1.00 0.37 C ATOM 992 C TYR A 62 1.599 -2.495 4.534 1.00 0.34 C ATOM 993 O TYR A 62 1.740 -1.521 5.274 1.00 0.35 O ATOM 994 CB TYR A 62 0.783 -4.648 5.489 1.00 0.44 C ATOM 995 CG TYR A 62 -0.380 -5.428 6.067 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.625 -4.839 6.265 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.221 -6.759 6.429 1.00 1.23 C ATOM 998 CE1 TYR A 62 -2.674 -5.557 6.803 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.265 -7.481 6.969 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.487 -6.877 7.153 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.522 -7.594 7.699 1.00 1.10 O ATOM 0 H TYR A 62 -0.082 -4.804 3.184 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.406 -2.878 5.193 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.368 -5.313 4.854 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.433 -4.335 6.306 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.773 -3.804 5.994 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.737 -7.237 6.285 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -3.636 -5.087 6.949 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.124 -8.515 7.246 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.223 -8.508 7.887 1.00 1.10 H new ATOM 1011 N LEU A 63 2.462 -2.813 3.572 1.00 0.33 N ATOM 1012 CA LEU A 63 3.659 -2.017 3.329 1.00 0.34 C ATOM 1013 C LEU A 63 3.283 -0.600 2.908 1.00 0.32 C ATOM 1014 O LEU A 63 3.902 0.367 3.350 1.00 0.35 O ATOM 1015 CB LEU A 63 4.532 -2.665 2.247 1.00 0.36 C ATOM 1016 CG LEU A 63 6.018 -2.809 2.594 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.795 -3.285 1.381 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.594 -1.496 3.108 1.00 1.45 C ATOM 0 H LEU A 63 2.354 -3.614 2.950 1.00 0.33 H new ATOM 0 HA LEU A 63 4.227 -1.972 4.258 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.131 -3.654 2.026 1.00 0.36 H new ATOM 0 HB3 LEU A 63 4.446 -2.075 1.334 1.00 0.36 H new ATOM 0 HG LEU A 63 6.109 -3.550 3.388 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.849 -3.383 1.640 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.409 -4.252 1.058 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.686 -2.562 0.572 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.649 -1.630 3.346 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.489 -0.728 2.342 1.00 1.45 H new ATOM 0 HD23 LEU A 63 6.056 -1.189 4.005 1.00 1.45 H new ATOM 1030 N MET A 64 2.259 -0.486 2.066 1.00 0.31 N ATOM 1031 CA MET A 64 1.808 0.815 1.588 1.00 0.34 C ATOM 1032 C MET A 64 1.339 1.678 2.755 1.00 0.32 C ATOM 1033 O MET A 64 1.797 2.805 2.918 1.00 0.33 O ATOM 1034 CB MET A 64 0.685 0.657 0.559 1.00 0.38 C ATOM 1035 CG MET A 64 0.419 1.921 -0.252 1.00 0.61 C ATOM 1036 SD MET A 64 -0.804 3.007 0.508 1.00 0.47 S ATOM 1037 CE MET A 64 -2.302 2.055 0.269 1.00 0.50 C ATOM 0 H MET A 64 1.728 -1.277 1.702 1.00 0.31 H new ATOM 0 HA MET A 64 2.650 1.310 1.103 1.00 0.34 H new ATOM 0 HB2 MET A 64 0.939 -0.155 -0.122 1.00 0.38 H new ATOM 0 HB3 MET A 64 -0.231 0.366 1.074 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.353 2.468 -0.377 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.078 1.641 -1.248 1.00 0.61 H new ATOM 0 HE1 MET A 64 -3.163 2.723 0.280 1.00 0.50 H new ATOM 0 HE2 MET A 64 -2.256 1.538 -0.690 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.400 1.324 1.071 1.00 0.50 H new ATOM 1047 N ASN A 65 0.454 1.126 3.582 1.00 0.34 N ATOM 1048 CA ASN A 65 -0.079 1.848 4.740 1.00 0.36 C ATOM 1049 C ASN A 65 1.041 2.273 5.685 1.00 0.35 C ATOM 1050 O ASN A 65 0.993 3.348 6.280 1.00 0.41 O ATOM 1051 CB ASN A 65 -1.092 0.976 5.495 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.691 1.676 6.708 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.627 2.466 6.584 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -1.168 1.379 7.893 1.00 1.69 N ATOM 0 H ASN A 65 0.089 0.180 3.473 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.580 2.744 4.373 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.894 0.689 4.815 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.603 0.057 5.817 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -1.542 1.810 8.738 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -0.393 0.720 7.957 1.00 1.69 H new ATOM 1061 N HIS A 66 2.055 1.431 5.809 1.00 0.34 N ATOM 1062 CA HIS A 66 3.176 1.721 6.690 1.00 0.37 C ATOM 1063 C HIS A 66 4.101 2.782 6.100 1.00 0.36 C ATOM 1064 O HIS A 66 4.417 3.771 6.764 1.00 0.40 O ATOM 1065 CB HIS A 66 3.969 0.445 6.980 1.00 0.44 C ATOM 1066 CG HIS A 66 4.588 0.424 8.344 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.157 1.545 8.896 1.00 1.54 N ATOM 1068 CD2 HIS A 66 4.688 -0.598 9.224 1.00 1.09 C ATOM 1069 CE1 HIS A 66 5.584 1.184 10.091 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.323 -0.106 10.333 1.00 1.04 N ATOM 0 H HIS A 66 2.125 0.543 5.312 1.00 0.34 H new ATOM 0 HA HIS A 66 2.766 2.113 7.621 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.308 -0.416 6.876 1.00 0.44 H new ATOM 0 HB3 HIS A 66 4.754 0.336 6.232 1.00 0.44 H new ATOM 0 HD1 HIS A 66 5.234 2.468 8.469 1.00 1.54 H new ATOM 0 HD2 HIS A 66 4.335 -1.608 9.080 1.00 1.09 H new ATOM 0 HE1 HIS A 66 6.081 1.845 10.785 1.00 1.46 H new ATOM 1078 N VAL A 67 4.513 2.595 4.849 1.00 0.35 N ATOM 1079 CA VAL A 67 5.431 3.528 4.207 1.00 0.39 C ATOM 1080 C VAL A 67 4.852 4.943 4.128 1.00 0.39 C ATOM 1081 O VAL A 67 5.573 5.910 4.352 1.00 0.48 O ATOM 1082 CB VAL A 67 5.876 3.044 2.802 1.00 0.42 C ATOM 1083 CG1 VAL A 67 4.760 3.151 1.775 1.00 1.16 C ATOM 1084 CG2 VAL A 67 7.103 3.812 2.338 1.00 1.40 C ATOM 0 H VAL A 67 4.227 1.810 4.263 1.00 0.35 H new ATOM 0 HA VAL A 67 6.316 3.562 4.842 1.00 0.39 H new ATOM 0 HB VAL A 67 6.130 1.988 2.891 1.00 0.42 H new ATOM 0 HG11 VAL A 67 5.121 2.801 0.808 1.00 1.16 H new ATOM 0 HG12 VAL A 67 3.915 2.539 2.091 1.00 1.16 H new ATOM 0 HG13 VAL A 67 4.443 4.190 1.689 1.00 1.16 H new ATOM 0 HG21 VAL A 67 7.401 3.459 1.351 1.00 1.40 H new ATOM 0 HG22 VAL A 67 6.869 4.875 2.288 1.00 1.40 H new ATOM 0 HG23 VAL A 67 7.920 3.653 3.042 1.00 1.40 H new ATOM 1094 N VAL A 68 3.557 5.067 3.847 1.00 0.34 N ATOM 1095 CA VAL A 68 2.935 6.386 3.755 1.00 0.37 C ATOM 1096 C VAL A 68 2.730 6.992 5.139 1.00 0.39 C ATOM 1097 O VAL A 68 2.671 8.214 5.288 1.00 0.43 O ATOM 1098 CB VAL A 68 1.589 6.353 2.995 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.793 5.857 1.573 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.562 5.495 3.720 1.00 0.37 C ATOM 0 H VAL A 68 2.926 4.283 3.681 1.00 0.34 H new ATOM 0 HA VAL A 68 3.623 7.011 3.186 1.00 0.37 H new ATOM 0 HB VAL A 68 1.202 7.371 2.957 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.835 5.840 1.053 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.479 6.524 1.050 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.212 4.851 1.595 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.372 5.494 3.159 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.936 4.475 3.805 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.386 5.901 4.716 1.00 0.37 H new ATOM 1110 N GLN A 69 2.649 6.134 6.150 1.00 0.39 N ATOM 1111 CA GLN A 69 2.458 6.580 7.522 1.00 0.45 C ATOM 1112 C GLN A 69 3.697 7.318 8.011 1.00 0.45 C ATOM 1113 O GLN A 69 3.611 8.431 8.530 1.00 0.50 O ATOM 1114 CB GLN A 69 2.167 5.385 8.432 1.00 0.52 C ATOM 1115 CG GLN A 69 1.283 5.719 9.621 1.00 0.82 C ATOM 1116 CD GLN A 69 -0.081 6.231 9.204 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -0.298 7.438 9.095 1.00 1.83 O ATOM 1118 NE2 GLN A 69 -1.006 5.318 8.957 1.00 2.02 N ATOM 0 H GLN A 69 2.713 5.122 6.043 1.00 0.39 H new ATOM 0 HA GLN A 69 1.607 7.260 7.552 1.00 0.45 H new ATOM 0 HB2 GLN A 69 1.689 4.601 7.845 1.00 0.52 H new ATOM 0 HB3 GLN A 69 3.111 4.979 8.796 1.00 0.52 H new ATOM 0 HG2 GLN A 69 1.160 4.830 10.240 1.00 0.82 H new ATOM 0 HG3 GLN A 69 1.777 6.470 10.237 1.00 0.82 H new ATOM 0 HE21 GLN A 69 -0.785 4.327 9.059 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -1.940 5.605 8.664 1.00 2.02 H new ATOM 1127 N GLN A 70 4.854 6.699 7.812 1.00 0.44 N ATOM 1128 CA GLN A 70 6.114 7.294 8.235 1.00 0.49 C ATOM 1129 C GLN A 70 6.628 8.294 7.200 1.00 0.46 C ATOM 1130 O GLN A 70 7.515 9.097 7.492 1.00 0.49 O ATOM 1131 CB GLN A 70 7.167 6.213 8.511 1.00 0.58 C ATOM 1132 CG GLN A 70 7.202 5.099 7.476 1.00 0.78 C ATOM 1133 CD GLN A 70 8.212 4.019 7.816 1.00 1.39 C ATOM 1134 OE1 GLN A 70 7.898 3.045 8.500 1.00 2.10 O ATOM 1135 NE2 GLN A 70 9.435 4.182 7.340 1.00 2.02 N ATOM 0 H GLN A 70 4.945 5.788 7.362 1.00 0.44 H new ATOM 0 HA GLN A 70 5.928 7.835 9.163 1.00 0.49 H new ATOM 0 HB2 GLN A 70 8.150 6.682 8.557 1.00 0.58 H new ATOM 0 HB3 GLN A 70 6.976 5.777 9.492 1.00 0.58 H new ATOM 0 HG2 GLN A 70 6.211 4.652 7.395 1.00 0.78 H new ATOM 0 HG3 GLN A 70 7.442 5.522 6.500 1.00 0.78 H new ATOM 0 HE21 GLN A 70 9.658 5.003 6.777 1.00 2.02 H new ATOM 0 HE22 GLN A 70 10.155 3.487 7.536 1.00 2.02 H new ATOM 1144 N ALA A 71 6.067 8.250 5.992 1.00 0.46 N ATOM 1145 CA ALA A 71 6.468 9.173 4.933 1.00 0.47 C ATOM 1146 C ALA A 71 6.115 10.599 5.319 1.00 0.46 C ATOM 1147 O ALA A 71 6.875 11.534 5.058 1.00 0.48 O ATOM 1148 CB ALA A 71 5.804 8.816 3.611 1.00 0.51 C ATOM 0 H ALA A 71 5.338 7.589 5.724 1.00 0.46 H new ATOM 0 HA ALA A 71 7.547 9.090 4.807 1.00 0.47 H new ATOM 0 HB1 ALA A 71 6.122 9.521 2.842 1.00 0.51 H new ATOM 0 HB2 ALA A 71 6.093 7.806 3.320 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.721 8.865 3.723 1.00 0.51 H new ATOM 1154 N LYS A 72 4.956 10.754 5.953 1.00 0.49 N ATOM 1155 CA LYS A 72 4.494 12.061 6.395 1.00 0.55 C ATOM 1156 C LYS A 72 5.369 12.577 7.531 1.00 0.54 C ATOM 1157 O LYS A 72 5.493 13.785 7.729 1.00 0.59 O ATOM 1158 CB LYS A 72 3.032 12.000 6.835 1.00 0.66 C ATOM 1159 CG LYS A 72 2.057 11.852 5.676 1.00 0.84 C ATOM 1160 CD LYS A 72 0.620 12.095 6.112 1.00 1.07 C ATOM 1161 CE LYS A 72 0.385 13.551 6.491 1.00 1.60 C ATOM 1162 NZ LYS A 72 -1.017 13.794 6.919 1.00 2.09 N ATOM 0 H LYS A 72 4.320 9.987 6.171 1.00 0.49 H new ATOM 0 HA LYS A 72 4.569 12.751 5.555 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.901 11.162 7.519 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.790 12.906 7.391 1.00 0.66 H new ATOM 0 HG2 LYS A 72 2.321 12.556 4.887 1.00 0.84 H new ATOM 0 HG3 LYS A 72 2.144 10.851 5.253 1.00 0.84 H new ATOM 0 HD2 LYS A 72 -0.057 11.815 5.305 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.385 11.455 6.962 1.00 1.07 H new ATOM 0 HE2 LYS A 72 1.064 13.830 7.297 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.620 14.190 5.640 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -1.162 14.813 7.070 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -1.668 13.457 6.181 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -1.203 13.282 7.805 1.00 2.09 H new ATOM 1176 N GLY A 73 5.988 11.655 8.262 1.00 0.54 N ATOM 1177 CA GLY A 73 6.863 12.036 9.353 1.00 0.59 C ATOM 1178 C GLY A 73 8.080 12.779 8.841 1.00 0.56 C ATOM 1179 O GLY A 73 8.628 13.647 9.520 1.00 0.66 O ATOM 0 H GLY A 73 5.898 10.649 8.117 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.319 12.665 10.057 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.179 11.146 9.898 1.00 0.59 H new ATOM 1183 N GLN A 74 8.497 12.429 7.630 1.00 0.52 N ATOM 1184 CA GLN A 74 9.631 13.075 6.990 1.00 0.55 C ATOM 1185 C GLN A 74 9.121 14.128 6.008 1.00 0.51 C ATOM 1186 O GLN A 74 9.901 14.857 5.393 1.00 0.56 O ATOM 1187 CB GLN A 74 10.502 12.044 6.264 1.00 0.62 C ATOM 1188 CG GLN A 74 11.208 11.074 7.201 1.00 0.80 C ATOM 1189 CD GLN A 74 12.269 10.243 6.499 1.00 0.94 C ATOM 1190 OE1 GLN A 74 13.287 9.884 7.091 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.039 9.931 5.233 1.00 1.42 N ATOM 0 H GLN A 74 8.062 11.696 7.070 1.00 0.52 H new ATOM 0 HA GLN A 74 10.245 13.556 7.751 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.879 11.478 5.571 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.249 12.568 5.667 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.671 11.633 8.014 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.471 10.409 7.651 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.183 10.247 4.777 1.00 1.42 H new ATOM 0 HE22 GLN A 74 12.718 9.374 4.714 1.00 1.42 H new ATOM 1200 N LYS A 75 7.794 14.187 5.894 1.00 0.47 N ATOM 1201 CA LYS A 75 7.097 15.121 5.009 1.00 0.50 C ATOM 1202 C LYS A 75 7.526 14.959 3.552 1.00 0.47 C ATOM 1203 O LYS A 75 7.675 15.941 2.823 1.00 0.54 O ATOM 1204 CB LYS A 75 7.299 16.565 5.477 1.00 0.62 C ATOM 1205 CG LYS A 75 6.206 17.052 6.414 1.00 0.77 C ATOM 1206 CD LYS A 75 6.487 18.455 6.925 1.00 1.33 C ATOM 1207 CE LYS A 75 5.228 19.119 7.465 1.00 1.99 C ATOM 1208 NZ LYS A 75 4.689 18.430 8.668 1.00 2.70 N ATOM 0 H LYS A 75 7.165 13.580 6.420 1.00 0.47 H new ATOM 0 HA LYS A 75 6.034 14.884 5.061 1.00 0.50 H new ATOM 0 HB2 LYS A 75 8.262 16.645 5.981 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.340 17.219 4.606 1.00 0.62 H new ATOM 0 HG2 LYS A 75 5.248 17.039 5.894 1.00 0.77 H new ATOM 0 HG3 LYS A 75 6.119 16.368 7.258 1.00 0.77 H new ATOM 0 HD2 LYS A 75 7.242 18.412 7.710 1.00 1.33 H new ATOM 0 HD3 LYS A 75 6.901 19.060 6.118 1.00 1.33 H new ATOM 0 HE2 LYS A 75 5.447 20.157 7.713 1.00 1.99 H new ATOM 0 HE3 LYS A 75 4.466 19.132 6.686 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 3.833 18.922 8.995 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 4.453 17.446 8.428 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 5.404 18.440 9.423 1.00 2.70 H new ATOM 1222 N ILE A 76 7.705 13.713 3.131 1.00 0.42 N ATOM 1223 CA ILE A 76 8.099 13.419 1.761 1.00 0.42 C ATOM 1224 C ILE A 76 6.854 13.222 0.902 1.00 0.38 C ATOM 1225 O ILE A 76 6.336 12.109 0.783 1.00 0.40 O ATOM 1226 CB ILE A 76 8.994 12.161 1.675 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.150 12.252 2.678 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.529 11.983 0.259 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.145 13.356 2.377 1.00 0.63 C ATOM 0 H ILE A 76 7.583 12.890 3.720 1.00 0.42 H new ATOM 0 HA ILE A 76 8.679 14.265 1.393 1.00 0.42 H new ATOM 0 HB ILE A 76 8.388 11.291 1.927 1.00 0.46 H new ATOM 0 HG12 ILE A 76 9.740 12.409 3.676 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.677 11.298 2.697 1.00 0.55 H new ATOM 0 HG21 ILE A 76 10.157 11.093 0.216 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.695 11.872 -0.434 1.00 0.49 H new ATOM 0 HG23 ILE A 76 10.118 12.856 -0.020 1.00 0.49 H new ATOM 0 HD11 ILE A 76 11.931 13.353 3.132 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.586 13.190 1.394 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.634 14.319 2.388 1.00 0.63 H new ATOM 1241 N ILE A 77 6.380 14.314 0.308 1.00 0.40 N ATOM 1242 CA ILE A 77 5.179 14.281 -0.526 1.00 0.42 C ATOM 1243 C ILE A 77 5.399 13.471 -1.799 1.00 0.39 C ATOM 1244 O ILE A 77 4.441 13.115 -2.486 1.00 0.40 O ATOM 1245 CB ILE A 77 4.700 15.700 -0.907 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.734 16.407 -1.789 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.422 16.515 0.347 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.165 17.555 -2.596 1.00 0.86 C ATOM 0 H ILE A 77 6.810 15.236 0.388 1.00 0.40 H new ATOM 0 HA ILE A 77 4.408 13.799 0.075 1.00 0.42 H new ATOM 0 HB ILE A 77 3.776 15.609 -1.478 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.540 16.783 -1.158 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.175 15.679 -2.470 1.00 0.59 H new ATOM 0 HG21 ILE A 77 4.085 17.513 0.065 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.648 16.024 0.936 1.00 0.57 H new ATOM 0 HG23 ILE A 77 5.334 16.594 0.939 1.00 0.57 H new ATOM 0 HD11 ILE A 77 5.956 18.006 -3.195 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.379 17.183 -3.253 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.750 18.303 -1.921 1.00 0.86 H new ATOM 1260 N GLN A 78 6.661 13.180 -2.109 1.00 0.41 N ATOM 1261 CA GLN A 78 7.002 12.404 -3.296 1.00 0.43 C ATOM 1262 C GLN A 78 6.322 11.039 -3.248 1.00 0.36 C ATOM 1263 O GLN A 78 5.743 10.587 -4.235 1.00 0.36 O ATOM 1264 CB GLN A 78 8.520 12.232 -3.407 1.00 0.52 C ATOM 1265 CG GLN A 78 9.282 13.547 -3.368 1.00 0.81 C ATOM 1266 CD GLN A 78 8.893 14.481 -4.498 1.00 1.36 C ATOM 1267 OE1 GLN A 78 8.641 14.046 -5.624 1.00 2.22 O ATOM 1268 NE2 GLN A 78 8.821 15.768 -4.199 1.00 1.73 N ATOM 0 H GLN A 78 7.465 13.471 -1.552 1.00 0.41 H new ATOM 0 HA GLN A 78 6.648 12.944 -4.174 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.866 11.596 -2.593 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.752 11.714 -4.337 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.098 14.041 -2.414 1.00 0.81 H new ATOM 0 HG3 GLN A 78 10.352 13.344 -3.421 1.00 0.81 H new ATOM 0 HE21 GLN A 78 9.038 16.085 -3.254 1.00 1.73 H new ATOM 0 HE22 GLN A 78 8.548 16.443 -4.913 1.00 1.73 H new ATOM 1277 N PHE A 79 6.367 10.403 -2.081 1.00 0.36 N ATOM 1278 CA PHE A 79 5.749 9.095 -1.902 1.00 0.36 C ATOM 1279 C PHE A 79 4.231 9.218 -1.912 1.00 0.33 C ATOM 1280 O PHE A 79 3.534 8.360 -2.458 1.00 0.36 O ATOM 1281 CB PHE A 79 6.211 8.453 -0.593 1.00 0.42 C ATOM 1282 CG PHE A 79 7.537 7.762 -0.704 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.619 6.475 -1.210 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.700 8.398 -0.306 1.00 1.29 C ATOM 1285 CE1 PHE A 79 8.838 5.836 -1.316 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.921 7.763 -0.411 1.00 1.34 C ATOM 1287 CZ PHE A 79 9.990 6.481 -0.916 1.00 0.64 C ATOM 0 H PHE A 79 6.824 10.772 -1.247 1.00 0.36 H new ATOM 0 HA PHE A 79 6.058 8.458 -2.731 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.273 9.221 0.178 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.461 7.733 -0.265 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.720 5.966 -1.525 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.652 9.401 0.091 1.00 1.29 H new ATOM 0 HE1 PHE A 79 8.890 4.832 -1.712 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.822 8.270 -0.098 1.00 1.34 H new ATOM 0 HZ PHE A 79 10.945 5.983 -0.998 1.00 0.64 H new ATOM 1297 N GLN A 80 3.732 10.301 -1.324 1.00 0.33 N ATOM 1298 CA GLN A 80 2.297 10.556 -1.256 1.00 0.38 C ATOM 1299 C GLN A 80 1.705 10.704 -2.654 1.00 0.33 C ATOM 1300 O GLN A 80 0.592 10.255 -2.915 1.00 0.39 O ATOM 1301 CB GLN A 80 2.015 11.813 -0.430 1.00 0.48 C ATOM 1302 CG GLN A 80 2.313 11.644 1.048 1.00 0.60 C ATOM 1303 CD GLN A 80 2.222 12.948 1.813 1.00 0.75 C ATOM 1304 OE1 GLN A 80 3.216 13.649 1.989 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.026 13.285 2.267 1.00 1.11 N ATOM 0 H GLN A 80 4.305 11.021 -0.885 1.00 0.33 H new ATOM 0 HA GLN A 80 1.825 9.702 -0.770 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.612 12.637 -0.821 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.968 12.091 -0.552 1.00 0.48 H new ATOM 0 HG2 GLN A 80 1.613 10.926 1.476 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.312 11.226 1.168 1.00 0.60 H new ATOM 0 HE21 GLN A 80 0.226 12.675 2.099 1.00 1.11 H new ATOM 0 HE22 GLN A 80 0.904 14.155 2.785 1.00 1.11 H new ATOM 1314 N ASP A 81 2.454 11.329 -3.551 1.00 0.33 N ATOM 1315 CA ASP A 81 1.995 11.517 -4.922 1.00 0.35 C ATOM 1316 C ASP A 81 2.206 10.246 -5.740 1.00 0.32 C ATOM 1317 O ASP A 81 1.302 9.794 -6.444 1.00 0.37 O ATOM 1318 CB ASP A 81 2.722 12.689 -5.584 1.00 0.41 C ATOM 1319 CG ASP A 81 2.313 12.875 -7.034 1.00 0.52 C ATOM 1320 OD1 ASP A 81 1.306 13.564 -7.291 1.00 1.16 O ATOM 1321 OD2 ASP A 81 3.005 12.339 -7.927 1.00 1.32 O ATOM 0 H ASP A 81 3.379 11.714 -3.357 1.00 0.33 H new ATOM 0 HA ASP A 81 0.929 11.742 -4.889 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.512 13.604 -5.029 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.798 12.523 -5.531 1.00 0.41 H new ATOM 1326 N SER A 82 3.400 9.667 -5.624 1.00 0.31 N ATOM 1327 CA SER A 82 3.748 8.451 -6.355 1.00 0.32 C ATOM 1328 C SER A 82 2.783 7.308 -6.046 1.00 0.29 C ATOM 1329 O SER A 82 2.208 6.707 -6.954 1.00 0.30 O ATOM 1330 CB SER A 82 5.180 8.025 -6.023 1.00 0.36 C ATOM 1331 OG SER A 82 6.119 8.959 -6.528 1.00 0.94 O ATOM 0 H SER A 82 4.146 10.023 -5.027 1.00 0.31 H new ATOM 0 HA SER A 82 3.672 8.676 -7.419 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.295 7.936 -4.943 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.378 7.040 -6.447 1.00 0.36 H new ATOM 0 HG SER A 82 6.210 9.704 -5.898 1.00 0.94 H new ATOM 1337 N PHE A 83 2.585 7.030 -4.766 1.00 0.27 N ATOM 1338 CA PHE A 83 1.703 5.949 -4.356 1.00 0.26 C ATOM 1339 C PHE A 83 0.245 6.390 -4.351 1.00 0.26 C ATOM 1340 O PHE A 83 -0.653 5.564 -4.437 1.00 0.30 O ATOM 1341 CB PHE A 83 2.100 5.427 -2.972 1.00 0.27 C ATOM 1342 CG PHE A 83 3.221 4.428 -3.004 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.955 3.076 -3.150 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.539 4.839 -2.888 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.982 2.152 -3.179 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.570 3.919 -2.917 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.291 2.575 -3.061 1.00 0.37 C ATOM 0 H PHE A 83 3.022 7.537 -3.996 1.00 0.27 H new ATOM 0 HA PHE A 83 1.809 5.144 -5.083 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.393 6.270 -2.346 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.230 4.969 -2.503 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.933 2.740 -3.242 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.763 5.889 -2.774 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.761 1.101 -3.294 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.594 4.252 -2.827 1.00 1.23 H new ATOM 0 HZ PHE A 83 6.096 1.855 -3.081 1.00 0.37 H new ATOM 1357 N GLY A 84 0.016 7.690 -4.278 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.339 8.206 -4.245 1.00 0.30 C ATOM 1359 C GLY A 84 -2.122 7.930 -5.514 1.00 0.30 C ATOM 1360 O GLY A 84 -3.224 7.385 -5.462 1.00 0.34 O ATOM 0 H GLY A 84 0.746 8.402 -4.241 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -1.867 7.766 -3.399 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.306 9.282 -4.075 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.544 8.276 -6.655 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.219 8.091 -7.940 1.00 0.36 C ATOM 1366 C LYS A 85 -2.390 6.615 -8.313 1.00 0.34 C ATOM 1367 O LYS A 85 -3.137 6.293 -9.235 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.472 8.836 -9.048 1.00 0.42 C ATOM 1369 CG LYS A 85 0.016 8.531 -9.112 1.00 0.48 C ATOM 1370 CD LYS A 85 0.781 9.669 -9.768 1.00 0.62 C ATOM 1371 CE LYS A 85 2.277 9.421 -9.738 1.00 0.96 C ATOM 1372 NZ LYS A 85 3.053 10.654 -10.029 1.00 1.31 N ATOM 0 H LYS A 85 -0.612 8.685 -6.722 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.220 8.509 -7.833 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.924 8.585 -10.008 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.606 9.908 -8.903 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.400 8.364 -8.106 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.178 7.610 -9.672 1.00 0.48 H new ATOM 0 HD2 LYS A 85 0.451 9.784 -10.800 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.555 10.604 -9.255 1.00 0.62 H new ATOM 0 HE2 LYS A 85 2.561 9.037 -8.758 1.00 0.96 H new ATOM 0 HE3 LYS A 85 2.531 8.652 -10.468 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 3.965 10.397 -10.459 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 2.517 11.254 -10.687 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 3.222 11.175 -9.145 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.708 5.720 -7.608 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.824 4.294 -7.901 1.00 0.29 C ATOM 1388 C VAL A 86 -2.585 3.558 -6.799 1.00 0.27 C ATOM 1389 O VAL A 86 -3.058 2.438 -6.999 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.445 3.625 -8.114 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.292 4.270 -9.280 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.396 3.675 -6.847 1.00 0.31 C ATOM 0 H VAL A 86 -1.077 5.950 -6.840 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.385 4.220 -8.832 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.617 2.576 -8.356 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.259 3.785 -9.412 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.298 4.158 -10.190 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.443 5.330 -9.074 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.358 3.197 -7.030 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.556 4.714 -6.557 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.123 3.150 -6.045 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.722 4.203 -5.644 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.418 3.609 -4.506 1.00 0.30 C ATOM 1404 C ALA A 87 -4.883 3.366 -4.827 1.00 0.28 C ATOM 1405 O ALA A 87 -5.413 2.294 -4.550 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.296 4.496 -3.276 1.00 0.38 C ATOM 0 H ALA A 87 -2.359 5.140 -5.471 1.00 0.29 H new ATOM 0 HA ALA A 87 -2.947 2.649 -4.295 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.822 4.034 -2.441 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.244 4.619 -3.019 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.735 5.471 -3.486 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.525 4.368 -5.417 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.934 4.271 -5.784 1.00 0.36 C ATOM 1414 C ALA A 88 -7.165 3.124 -6.762 1.00 0.34 C ATOM 1415 O ALA A 88 -8.160 2.404 -6.668 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.415 5.586 -6.380 1.00 0.45 C ATOM 0 H ALA A 88 -5.091 5.260 -5.652 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.509 4.065 -4.881 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.468 5.500 -6.649 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.292 6.384 -5.648 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.830 5.817 -7.270 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.227 2.955 -7.683 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.303 1.899 -8.681 1.00 0.32 C ATOM 1424 C GLU A 89 -6.247 0.528 -8.017 1.00 0.29 C ATOM 1425 O GLU A 89 -7.114 -0.320 -8.235 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.145 2.040 -9.670 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.190 1.046 -10.815 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.030 1.542 -11.969 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -5.478 2.239 -12.847 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -7.236 1.230 -12.012 1.00 1.56 O ATOM 0 H GLU A 89 -5.397 3.542 -7.759 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.250 1.990 -9.213 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.150 3.050 -10.079 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.204 1.918 -9.133 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.176 0.850 -11.164 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.592 0.099 -10.456 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.228 0.326 -7.196 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.042 -0.941 -6.504 1.00 0.28 C ATOM 1439 C VAL A 90 -6.172 -1.200 -5.509 1.00 0.27 C ATOM 1440 O VAL A 90 -6.721 -2.299 -5.468 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.681 -0.990 -5.773 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.506 -2.303 -5.019 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.543 -0.789 -6.760 1.00 0.32 C ATOM 0 H VAL A 90 -4.514 1.026 -6.992 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.057 -1.723 -7.263 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.661 -0.180 -5.044 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.539 -2.307 -4.515 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.301 -2.407 -4.280 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.553 -3.135 -5.722 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.591 -0.826 -6.230 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.570 -1.577 -7.512 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.650 0.181 -7.246 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.532 -0.180 -4.730 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.594 -0.306 -3.731 1.00 0.28 C ATOM 1455 C LEU A 91 -8.913 -0.721 -4.375 1.00 0.27 C ATOM 1456 O LEU A 91 -9.600 -1.618 -3.882 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.781 1.013 -2.972 1.00 0.31 C ATOM 1458 CG LEU A 91 -7.290 1.014 -1.519 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -8.087 0.027 -0.680 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.802 0.696 -1.454 1.00 0.89 C ATOM 0 H LEU A 91 -6.103 0.744 -4.772 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.293 -1.083 -3.028 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.259 1.801 -3.514 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.840 1.269 -2.979 1.00 0.31 H new ATOM 0 HG LEU A 91 -7.444 2.012 -1.109 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -7.722 0.044 0.347 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -9.141 0.305 -0.695 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.970 -0.976 -1.090 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.474 0.702 -0.415 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -5.621 -0.288 -1.886 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.245 1.447 -2.015 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.252 -0.083 -5.487 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.486 -0.398 -6.173 1.00 0.31 C ATOM 1474 C GLY A 92 -10.469 -1.780 -6.791 1.00 0.33 C ATOM 1475 O GLY A 92 -11.515 -2.401 -6.973 1.00 0.41 O ATOM 0 H GLY A 92 -8.692 0.648 -5.926 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.317 -0.328 -5.471 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.664 0.343 -6.952 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.277 -2.267 -7.104 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.128 -3.579 -7.713 1.00 0.37 C ATOM 1481 C ARG A 93 -9.081 -4.690 -6.666 1.00 0.37 C ATOM 1482 O ARG A 93 -9.767 -5.703 -6.802 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.864 -3.622 -8.573 1.00 0.43 C ATOM 1484 CG ARG A 93 -8.143 -3.750 -10.062 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.804 -5.078 -10.391 1.00 0.95 C ATOM 1486 NE ARG A 93 -7.948 -6.217 -10.065 1.00 1.84 N ATOM 1487 CZ ARG A 93 -7.119 -6.794 -10.930 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -7.020 -6.345 -12.175 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -6.388 -7.823 -10.544 1.00 3.46 N ATOM 0 H ARG A 93 -8.399 -1.772 -6.946 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.003 -3.749 -8.341 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.285 -2.716 -8.397 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.247 -4.462 -8.254 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.787 -2.932 -10.385 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -7.210 -3.659 -10.618 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.741 -5.161 -9.841 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -9.053 -5.105 -11.452 1.00 0.95 H new ATOM 0 HE ARG A 93 -7.989 -6.592 -9.117 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.583 -5.550 -12.477 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -6.381 -6.795 -12.830 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -6.461 -8.171 -9.588 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -5.750 -8.271 -11.202 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.282 -4.504 -5.622 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.159 -5.514 -4.578 1.00 0.40 C ATOM 1505 C ILE A 94 -9.465 -5.685 -3.815 1.00 0.39 C ATOM 1506 O ILE A 94 -9.734 -6.754 -3.291 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.017 -5.211 -3.582 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.233 -3.863 -2.888 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.671 -5.236 -4.295 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.307 -3.633 -1.711 1.00 0.50 C ATOM 0 H ILE A 94 -7.714 -3.670 -5.476 1.00 0.36 H new ATOM 0 HA ILE A 94 -7.916 -6.444 -5.092 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.021 -5.987 -2.816 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.090 -3.063 -3.614 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.266 -3.802 -2.545 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -4.877 -5.021 -3.580 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.509 -6.221 -4.732 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.663 -4.484 -5.084 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.516 -2.659 -1.268 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.466 -4.412 -0.966 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.272 -3.662 -2.051 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.284 -4.640 -3.767 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.566 -4.714 -3.067 1.00 0.40 C ATOM 1524 C ASN A 95 -12.468 -5.763 -3.713 1.00 0.43 C ATOM 1525 O ASN A 95 -13.329 -6.349 -3.059 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.267 -3.354 -3.070 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.526 -3.350 -2.219 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.620 -4.059 -1.215 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.506 -2.554 -2.619 1.00 0.79 N ATOM 0 H ASN A 95 -10.088 -3.738 -4.200 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.369 -5.002 -2.034 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.580 -2.593 -2.701 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.523 -3.082 -4.094 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.377 -2.513 -2.090 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.389 -1.982 -3.456 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.252 -6.005 -4.999 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.035 -6.987 -5.736 1.00 0.48 C ATOM 1538 C GLN A 96 -12.495 -8.394 -5.488 1.00 0.49 C ATOM 1539 O GLN A 96 -13.253 -9.359 -5.414 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.005 -6.674 -7.234 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.158 -5.195 -7.555 1.00 0.93 C ATOM 1542 CD GLN A 96 -12.893 -4.886 -9.015 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.199 -5.688 -9.894 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -12.308 -3.731 -9.283 1.00 1.14 N ATOM 0 H GLN A 96 -11.539 -5.533 -5.555 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.066 -6.939 -5.385 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.064 -7.031 -7.652 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -13.804 -7.228 -7.728 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -14.167 -4.873 -7.296 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.471 -4.619 -6.935 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.070 -3.092 -8.525 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -12.095 -3.479 -10.248 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.178 -8.493 -5.355 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.517 -9.774 -5.127 1.00 0.48 C ATOM 1555 C GLU A 97 -10.581 -10.180 -3.656 1.00 0.44 C ATOM 1556 O GLU A 97 -10.594 -11.368 -3.333 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.056 -9.696 -5.568 1.00 0.56 C ATOM 1558 CG GLU A 97 -8.869 -9.387 -7.042 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.407 -9.307 -7.427 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.652 -10.247 -7.110 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -7.001 -8.300 -8.041 1.00 1.33 O ATOM 0 H GLU A 97 -10.542 -7.697 -5.401 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.041 -10.527 -5.716 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.551 -8.930 -4.980 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.568 -10.644 -5.342 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.359 -10.157 -7.638 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.358 -8.442 -7.279 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.609 -9.188 -2.780 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.652 -9.422 -1.342 1.00 0.43 C ATOM 1570 C PHE A 98 -12.066 -9.724 -0.865 1.00 0.49 C ATOM 1571 O PHE A 98 -12.966 -8.891 -1.006 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.115 -8.204 -0.579 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.617 -8.047 -0.612 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.834 -8.812 -1.464 1.00 1.34 C ATOM 1575 CD2 PHE A 98 -7.992 -7.122 0.209 1.00 1.22 C ATOM 1576 CE1 PHE A 98 -6.461 -8.656 -1.494 1.00 1.39 C ATOM 1577 CE2 PHE A 98 -6.619 -6.962 0.183 1.00 1.21 C ATOM 1578 CZ PHE A 98 -5.853 -7.730 -0.670 1.00 0.56 C ATOM 0 H PHE A 98 -10.603 -8.202 -3.042 1.00 0.38 H new ATOM 0 HA PHE A 98 -10.022 -10.289 -1.140 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.570 -7.304 -0.993 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.436 -8.274 0.460 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.303 -9.538 -2.112 1.00 1.34 H new ATOM 0 HD2 PHE A 98 -8.586 -6.518 0.879 1.00 1.22 H new ATOM 0 HE1 PHE A 98 -5.864 -9.259 -2.162 1.00 1.39 H new ATOM 0 HE2 PHE A 98 -6.147 -6.237 0.829 1.00 1.21 H new ATOM 0 HZ PHE A 98 -4.780 -7.607 -0.693 1.00 0.56 H new ATOM 1588 N PRO A 99 -12.283 -10.925 -0.298 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.589 -11.331 0.235 1.00 0.70 C ATOM 1590 C PRO A 99 -14.009 -10.459 1.420 1.00 0.77 C ATOM 1591 O PRO A 99 -13.292 -9.528 1.797 1.00 1.47 O ATOM 1592 CB PRO A 99 -13.363 -12.778 0.698 1.00 0.78 C ATOM 1593 CG PRO A 99 -12.120 -13.225 0.010 1.00 0.82 C ATOM 1594 CD PRO A 99 -11.281 -11.995 -0.160 1.00 0.63 C ATOM 0 HA PRO A 99 -14.382 -11.232 -0.506 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.253 -12.831 1.781 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -14.209 -13.412 0.432 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.596 -13.977 0.600 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -12.349 -13.678 -0.954 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.630 -11.829 0.698 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.640 -12.063 -1.039 1.00 0.63 H new ATOM 1602 N ARG A 100 -15.155 -10.776 2.013 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.675 -10.020 3.156 1.00 0.65 C ATOM 1604 C ARG A 100 -14.623 -9.864 4.244 1.00 0.61 C ATOM 1605 O ARG A 100 -14.361 -8.763 4.720 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.896 -10.718 3.752 1.00 0.83 C ATOM 1607 CG ARG A 100 -18.083 -10.806 2.813 1.00 1.54 C ATOM 1608 CD ARG A 100 -19.168 -11.691 3.396 1.00 2.05 C ATOM 1609 NE ARG A 100 -18.691 -13.053 3.633 1.00 2.97 N ATOM 1610 CZ ARG A 100 -18.871 -14.064 2.783 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -19.483 -13.861 1.621 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -18.421 -15.274 3.089 1.00 4.87 N ATOM 0 H ARG A 100 -15.747 -11.554 1.722 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.955 -9.033 2.787 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.612 -11.726 4.056 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.200 -10.187 4.654 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -18.481 -9.808 2.629 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -17.762 -11.203 1.850 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -19.522 -11.262 4.333 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -20.019 -11.718 2.716 1.00 2.05 H new ATOM 0 HE ARG A 100 -18.190 -13.241 4.501 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -19.817 -12.929 1.377 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -19.619 -14.637 0.974 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -17.938 -15.430 3.974 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -18.558 -16.048 2.439 1.00 4.87 H new ATOM 1626 N ASP A 101 -14.006 -10.978 4.601 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.993 -11.011 5.651 1.00 0.66 C ATOM 1628 C ASP A 101 -11.811 -10.092 5.364 1.00 0.59 C ATOM 1629 O ASP A 101 -11.300 -9.429 6.266 1.00 0.70 O ATOM 1630 CB ASP A 101 -12.476 -12.440 5.824 1.00 0.84 C ATOM 1631 CG ASP A 101 -13.295 -13.252 6.801 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -12.969 -13.241 8.006 1.00 2.35 O ATOM 1633 OD2 ASP A 101 -14.258 -13.922 6.371 1.00 2.58 O ATOM 0 H ASP A 101 -14.191 -11.886 4.174 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.474 -10.657 6.563 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.476 -12.940 4.855 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.441 -12.407 6.166 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.389 -10.035 4.109 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.230 -9.231 3.740 1.00 0.57 C ATOM 1640 C LEU A 102 -10.583 -7.779 3.429 1.00 0.54 C ATOM 1641 O LEU A 102 -9.797 -6.876 3.718 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.501 -9.867 2.555 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.990 -11.290 2.801 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -8.069 -11.734 1.673 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -8.276 -11.382 4.143 1.00 0.85 C ATOM 0 H LEU A 102 -11.827 -10.532 3.333 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.572 -9.212 4.609 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -10.174 -9.881 1.698 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.655 -9.234 2.285 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.850 -11.960 2.825 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.718 -12.747 1.868 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.614 -11.714 0.729 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -7.215 -11.059 1.613 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.921 -12.401 4.297 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -7.428 -10.697 4.152 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.967 -11.114 4.942 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.756 -7.537 2.855 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.154 -6.170 2.517 1.00 0.54 C ATOM 1659 C LYS A 103 -12.402 -5.342 3.776 1.00 0.52 C ATOM 1660 O LYS A 103 -12.353 -4.110 3.742 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.386 -6.151 1.602 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.690 -6.529 2.282 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.883 -6.341 1.352 1.00 1.22 C ATOM 1664 CE LYS A 103 -15.911 -7.377 0.233 1.00 1.66 C ATOM 1665 NZ LYS A 103 -15.004 -7.031 -0.896 1.00 2.36 N ATOM 0 H LYS A 103 -12.440 -8.255 2.616 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.327 -5.717 1.969 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.490 -5.153 1.177 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.214 -6.835 0.771 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.643 -7.568 2.609 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.825 -5.920 3.176 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.805 -6.407 1.929 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -15.849 -5.341 0.919 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -15.627 -8.349 0.637 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -16.930 -7.473 -0.142 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -15.529 -7.084 -1.792 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -14.639 -6.066 -0.765 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -14.209 -7.701 -0.920 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.652 -6.018 4.888 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.878 -5.338 6.156 1.00 0.56 C ATOM 1681 C LYS A 104 -11.575 -4.719 6.653 1.00 0.55 C ATOM 1682 O LYS A 104 -11.581 -3.775 7.445 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.432 -6.314 7.196 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.889 -6.684 6.965 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.375 -7.714 7.972 1.00 1.34 C ATOM 1686 CE LYS A 104 -15.307 -7.175 9.391 1.00 1.98 C ATOM 1687 NZ LYS A 104 -16.092 -8.005 10.337 1.00 2.57 N ATOM 0 H LYS A 104 -12.704 -7.035 4.938 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.611 -4.546 6.003 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -12.829 -7.222 7.188 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.330 -5.873 8.187 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.507 -5.789 7.033 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -15.009 -7.078 5.956 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -16.401 -7.999 7.738 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -14.768 -8.616 7.894 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -14.267 -7.139 9.716 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -15.682 -6.152 9.409 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -16.020 -7.604 11.294 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -17.089 -8.019 10.042 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -15.718 -8.976 10.340 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.460 -5.249 6.158 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.141 -4.759 6.532 1.00 0.60 C ATOM 1703 C LYS A 105 -8.818 -3.467 5.792 1.00 0.52 C ATOM 1704 O LYS A 105 -8.360 -2.498 6.398 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.066 -5.809 6.237 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.082 -6.982 7.201 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.044 -8.024 6.826 1.00 1.26 C ATOM 1708 CE LYS A 105 -6.651 -8.870 8.025 1.00 1.76 C ATOM 1709 NZ LYS A 105 -5.895 -8.084 9.035 1.00 2.44 N ATOM 0 H LYS A 105 -10.446 -6.022 5.493 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.150 -4.559 7.604 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.203 -6.182 5.222 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.086 -5.333 6.273 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -7.892 -6.625 8.213 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.072 -7.438 7.205 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -7.439 -8.666 6.039 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.160 -7.531 6.421 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -7.547 -9.286 8.485 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -6.044 -9.712 7.692 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -5.602 -8.709 9.813 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -5.053 -7.666 8.590 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -6.501 -7.326 9.410 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.079 -3.447 4.484 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.808 -2.257 3.681 1.00 0.52 C ATOM 1725 C LEU A 106 -9.703 -1.107 4.128 1.00 0.45 C ATOM 1726 O LEU A 106 -9.359 0.059 3.957 1.00 0.46 O ATOM 1727 CB LEU A 106 -8.974 -2.538 2.174 1.00 0.65 C ATOM 1728 CG LEU A 106 -10.359 -3.007 1.713 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -11.233 -1.827 1.315 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.229 -3.975 0.551 1.00 1.04 C ATOM 0 H LEU A 106 -9.473 -4.232 3.965 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.768 -1.971 3.840 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -8.723 -1.629 1.628 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -8.244 -3.295 1.886 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.836 -3.518 2.549 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -12.209 -2.190 0.992 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -11.357 -1.162 2.169 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -10.760 -1.283 0.498 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -11.220 -4.299 0.235 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.727 -3.480 -0.280 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -9.646 -4.842 0.863 1.00 1.04 H new ATOM 1742 N SER A 107 -10.842 -1.448 4.723 1.00 0.45 N ATOM 1743 CA SER A 107 -11.775 -0.446 5.220 1.00 0.46 C ATOM 1744 C SER A 107 -11.104 0.413 6.290 1.00 0.47 C ATOM 1745 O SER A 107 -11.306 1.626 6.351 1.00 0.51 O ATOM 1746 CB SER A 107 -13.018 -1.126 5.791 1.00 0.54 C ATOM 1747 OG SER A 107 -13.691 -1.884 4.796 1.00 1.15 O ATOM 0 H SER A 107 -11.140 -2.412 4.872 1.00 0.45 H new ATOM 0 HA SER A 107 -12.075 0.198 4.393 1.00 0.46 H new ATOM 0 HB2 SER A 107 -12.732 -1.777 6.617 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.693 -0.373 6.197 1.00 0.54 H new ATOM 0 HG SER A 107 -13.121 -2.628 4.510 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.278 -0.225 7.112 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.568 0.472 8.172 1.00 0.55 C ATOM 1755 C ARG A 108 -8.455 1.324 7.572 1.00 0.54 C ATOM 1756 O ARG A 108 -8.199 2.438 8.023 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.001 -0.537 9.173 1.00 0.67 C ATOM 1758 CG ARG A 108 -8.380 0.095 10.409 1.00 1.10 C ATOM 1759 CD ARG A 108 -8.386 -0.869 11.588 1.00 1.49 C ATOM 1760 NE ARG A 108 -9.742 -1.104 12.095 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.105 -2.167 12.812 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.220 -3.107 13.113 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.358 -2.285 13.240 1.00 3.60 N ATOM 0 H ARG A 108 -10.085 -1.225 7.062 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.260 1.127 8.701 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -9.799 -1.211 9.485 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.248 -1.145 8.672 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -7.356 0.398 10.190 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -8.930 0.998 10.673 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -7.943 -1.817 11.284 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -7.764 -0.468 12.388 1.00 1.49 H new ATOM 0 HE ARG A 108 -10.456 -0.406 11.884 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.255 -3.019 12.795 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -9.504 -3.918 13.662 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.042 -1.562 13.020 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -11.635 -3.099 13.789 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.819 0.793 6.531 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.740 1.496 5.843 1.00 0.60 C ATOM 1779 C VAL A 109 -7.261 2.786 5.214 1.00 0.57 C ATOM 1780 O VAL A 109 -6.692 3.860 5.406 1.00 0.61 O ATOM 1781 CB VAL A 109 -6.103 0.611 4.746 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.962 1.339 4.052 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.614 -0.704 5.334 1.00 1.25 C ATOM 0 H VAL A 109 -8.034 -0.126 6.144 1.00 0.53 H new ATOM 0 HA VAL A 109 -5.977 1.734 6.585 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.870 0.394 4.003 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -4.532 0.694 3.285 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -5.340 2.251 3.589 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -4.195 1.594 4.783 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -5.169 -1.312 4.546 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.868 -0.504 6.103 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.454 -1.240 5.775 1.00 1.25 H new ATOM 1793 N VAL A 110 -8.366 2.667 4.482 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.984 3.814 3.821 1.00 0.59 C ATOM 1795 C VAL A 110 -9.378 4.876 4.845 1.00 0.54 C ATOM 1796 O VAL A 110 -9.261 6.076 4.587 1.00 0.54 O ATOM 1797 CB VAL A 110 -10.227 3.392 3.001 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.892 4.599 2.354 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.844 2.366 1.943 1.00 1.06 C ATOM 0 H VAL A 110 -8.854 1.784 4.331 1.00 0.54 H new ATOM 0 HA VAL A 110 -8.247 4.232 3.136 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.944 2.938 3.685 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.762 4.273 1.784 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -11.206 5.299 3.128 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -10.184 5.090 1.686 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -10.730 2.080 1.376 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -9.105 2.798 1.268 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -9.423 1.485 2.427 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.829 4.426 6.013 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.224 5.332 7.084 1.00 0.59 C ATOM 1811 C ASN A 111 -9.051 6.206 7.501 1.00 0.57 C ATOM 1812 O ASN A 111 -9.141 7.433 7.488 1.00 0.60 O ATOM 1813 CB ASN A 111 -10.742 4.551 8.299 1.00 0.68 C ATOM 1814 CG ASN A 111 -10.700 5.377 9.579 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -9.753 5.285 10.361 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -11.721 6.190 9.798 1.00 1.74 N ATOM 0 H ASN A 111 -9.930 3.437 6.241 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.027 5.966 6.707 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -11.766 4.228 8.111 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.143 3.650 8.431 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -11.742 6.768 10.638 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -12.487 6.239 9.127 1.00 1.74 H new ATOM 1823 N ILE A 112 -7.943 5.565 7.841 1.00 0.57 N ATOM 1824 CA ILE A 112 -6.748 6.271 8.273 1.00 0.61 C ATOM 1825 C ILE A 112 -6.218 7.174 7.162 1.00 0.57 C ATOM 1826 O ILE A 112 -5.809 8.309 7.406 1.00 0.62 O ATOM 1827 CB ILE A 112 -5.647 5.280 8.709 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -6.197 4.324 9.770 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -4.428 6.025 9.236 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -5.302 3.133 10.035 1.00 1.21 C ATOM 0 H ILE A 112 -7.847 4.550 7.825 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.022 6.888 9.128 1.00 0.61 H new ATOM 0 HB ILE A 112 -5.335 4.699 7.841 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -6.343 4.872 10.701 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -7.177 3.968 9.453 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -3.665 5.307 9.537 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.030 6.671 8.453 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -4.715 6.631 10.095 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -5.755 2.500 10.797 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.176 2.561 9.116 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -4.329 3.479 10.383 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.263 6.672 5.939 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.778 7.410 4.780 1.00 0.52 C ATOM 1844 C LEU A 113 -6.584 8.685 4.524 1.00 0.48 C ATOM 1845 O LEU A 113 -6.032 9.700 4.092 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.820 6.511 3.541 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.486 5.864 3.142 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -3.869 5.101 4.307 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -4.685 4.936 1.956 1.00 1.27 C ATOM 0 H LEU A 113 -6.634 5.747 5.720 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.752 7.711 4.989 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.549 5.719 3.714 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -6.183 7.101 2.699 1.00 0.56 H new ATOM 0 HG LEU A 113 -3.799 6.662 2.860 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -2.926 4.655 3.991 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -3.687 5.786 5.135 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.552 4.315 4.630 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -3.731 4.484 1.684 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -5.395 4.153 2.222 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -5.072 5.504 1.110 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.883 8.640 4.797 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.743 9.794 4.558 1.00 0.50 C ATOM 1863 C LYS A 114 -8.833 10.719 5.778 1.00 0.52 C ATOM 1864 O LYS A 114 -8.846 11.940 5.631 1.00 0.57 O ATOM 1865 CB LYS A 114 -10.146 9.328 4.124 1.00 0.58 C ATOM 1866 CG LYS A 114 -11.088 8.989 5.276 1.00 0.69 C ATOM 1867 CD LYS A 114 -12.083 7.896 4.904 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.871 8.239 3.649 1.00 1.33 C ATOM 1869 NZ LYS A 114 -13.791 9.391 3.850 1.00 1.69 N ATOM 0 H LYS A 114 -8.361 7.825 5.181 1.00 0.47 H new ATOM 0 HA LYS A 114 -8.292 10.376 3.754 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.602 10.110 3.517 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -10.042 8.450 3.487 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.504 8.668 6.138 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -11.631 9.886 5.575 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -11.549 6.958 4.751 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.773 7.738 5.733 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.177 8.469 2.840 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -13.447 7.368 3.337 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.529 9.378 3.117 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.234 9.322 4.789 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -13.254 10.279 3.785 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.869 10.141 6.974 1.00 0.54 N ATOM 1884 CA GLU A 115 -8.987 10.928 8.200 1.00 0.61 C ATOM 1885 C GLU A 115 -7.701 11.665 8.540 1.00 0.61 C ATOM 1886 O GLU A 115 -7.739 12.788 9.044 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.374 10.032 9.376 1.00 0.68 C ATOM 1888 CG GLU A 115 -10.846 9.672 9.414 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.360 9.507 10.828 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.150 8.429 11.427 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -11.977 10.456 11.350 1.00 2.20 O ATOM 0 H GLU A 115 -8.818 9.133 7.122 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.766 11.669 8.021 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.787 9.115 9.330 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.109 10.535 10.306 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.421 10.448 8.909 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.006 8.746 8.861 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.566 11.039 8.265 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.281 11.646 8.580 1.00 0.62 C ATOM 1900 C ARG A 116 -4.709 12.383 7.379 1.00 0.58 C ATOM 1901 O ARG A 116 -3.585 12.881 7.436 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.293 10.581 9.067 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.889 9.625 10.090 1.00 0.80 C ATOM 1904 CD ARG A 116 -5.463 10.368 11.287 1.00 1.19 C ATOM 1905 NE ARG A 116 -6.283 9.501 12.128 1.00 1.74 N ATOM 1906 CZ ARG A 116 -6.373 9.620 13.448 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -5.741 10.608 14.076 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -7.117 8.768 14.136 1.00 3.23 N ATOM 0 H ARG A 116 -6.508 10.119 7.828 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.441 12.372 9.377 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -3.936 10.009 8.211 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.425 11.074 9.505 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.673 9.032 9.620 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -4.121 8.929 10.428 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -4.648 10.783 11.880 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -6.064 11.208 10.938 1.00 1.19 H new ATOM 0 HE ARG A 116 -6.818 8.760 11.675 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -5.185 11.277 13.544 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -5.812 10.696 15.090 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -7.619 8.023 13.652 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -7.188 8.856 15.150 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.495 12.459 6.304 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.074 13.134 5.074 1.00 0.52 C ATOM 1924 C ASN A 117 -3.711 12.620 4.618 1.00 0.50 C ATOM 1925 O ASN A 117 -2.691 13.306 4.737 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.045 14.656 5.280 1.00 0.63 C ATOM 1927 CG ASN A 117 -4.682 15.427 4.020 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -3.744 16.228 4.019 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -5.428 15.211 2.948 1.00 1.74 N ATOM 0 H ASN A 117 -6.432 12.059 6.260 1.00 0.52 H new ATOM 0 HA ASN A 117 -5.798 12.910 4.291 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -6.022 14.987 5.631 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.327 14.896 6.064 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -5.235 15.715 2.083 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -6.196 14.540 2.987 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.693 11.390 4.135 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.459 10.781 3.666 1.00 0.48 C ATOM 1938 C ILE A 118 -2.180 11.194 2.227 1.00 0.47 C ATOM 1939 O ILE A 118 -1.051 11.527 1.874 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.515 9.241 3.765 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.640 8.805 5.230 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.287 8.607 3.122 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.410 9.075 6.070 1.00 0.61 C ATOM 0 H ILE A 118 -4.517 10.794 4.057 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.652 11.134 4.308 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.395 8.897 3.222 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.491 9.319 5.678 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.859 7.738 5.261 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -1.352 7.522 3.206 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -1.241 8.888 2.070 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.389 8.957 3.630 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.585 8.736 7.091 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.558 8.539 5.651 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.200 10.144 6.074 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.219 11.189 1.409 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.086 11.563 0.010 1.00 0.47 C ATOM 1957 C PHE A 119 -3.877 12.832 -0.268 1.00 0.49 C ATOM 1958 O PHE A 119 -4.538 13.363 0.625 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.574 10.432 -0.897 1.00 0.48 C ATOM 1960 CG PHE A 119 -2.814 9.144 -0.726 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.428 9.130 -0.755 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -3.488 7.949 -0.540 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -0.731 7.945 -0.603 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -2.795 6.763 -0.387 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.414 6.762 -0.420 1.00 0.44 C ATOM 0 H PHE A 119 -4.165 10.930 1.689 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.032 11.747 -0.201 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.630 10.249 -0.697 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.497 10.753 -1.936 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -0.887 10.054 -0.898 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -4.568 7.944 -0.514 1.00 1.26 H new ATOM 0 HE1 PHE A 119 0.349 7.947 -0.628 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -3.333 5.838 -0.242 1.00 1.26 H new ATOM 0 HZ PHE A 119 -0.871 5.836 -0.303 1.00 0.44 H new ATOM 1975 N SER A 120 -3.808 13.311 -1.504 1.00 0.51 N ATOM 1976 CA SER A 120 -4.522 14.516 -1.895 1.00 0.55 C ATOM 1977 C SER A 120 -6.027 14.266 -1.901 1.00 0.50 C ATOM 1978 O SER A 120 -6.478 13.121 -1.985 1.00 0.48 O ATOM 1979 CB SER A 120 -4.054 14.987 -3.278 1.00 0.63 C ATOM 1980 OG SER A 120 -4.305 16.370 -3.460 1.00 1.30 O ATOM 0 H SER A 120 -3.264 12.882 -2.252 1.00 0.51 H new ATOM 0 HA SER A 120 -4.305 15.299 -1.168 1.00 0.55 H new ATOM 0 HB2 SER A 120 -2.988 14.790 -3.391 1.00 0.63 H new ATOM 0 HB3 SER A 120 -4.567 14.417 -4.052 1.00 0.63 H new ATOM 0 HG SER A 120 -4.849 16.501 -4.265 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.794 15.347 -1.830 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.254 15.272 -1.808 1.00 0.56 C ATOM 1988 C LYS A 121 -8.795 14.525 -3.021 1.00 0.53 C ATOM 1989 O LYS A 121 -9.720 13.716 -2.907 1.00 0.52 O ATOM 1990 CB LYS A 121 -8.855 16.677 -1.774 1.00 0.70 C ATOM 1991 CG LYS A 121 -8.295 17.560 -0.670 1.00 1.23 C ATOM 1992 CD LYS A 121 -8.892 18.960 -0.711 1.00 1.78 C ATOM 1993 CE LYS A 121 -8.523 19.695 -1.989 1.00 2.37 C ATOM 1994 NZ LYS A 121 -9.114 21.057 -2.039 1.00 2.85 N ATOM 0 H LYS A 121 -6.426 16.297 -1.786 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.539 14.725 -0.909 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.680 17.160 -2.736 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.935 16.597 -1.649 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -8.500 17.105 0.299 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -7.211 17.623 -0.769 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -9.977 18.895 -0.630 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -8.542 19.530 0.150 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -7.438 19.768 -2.065 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -8.865 19.120 -2.849 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -8.838 21.523 -2.927 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -10.151 20.988 -1.993 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -8.768 21.615 -1.233 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.210 14.796 -4.179 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.629 14.158 -5.422 1.00 0.67 C ATOM 2010 C GLN A 122 -8.427 12.649 -5.342 1.00 0.60 C ATOM 2011 O GLN A 122 -9.249 11.876 -5.835 1.00 0.73 O ATOM 2012 CB GLN A 122 -7.847 14.726 -6.613 1.00 0.80 C ATOM 2013 CG GLN A 122 -8.028 16.225 -6.825 1.00 1.48 C ATOM 2014 CD GLN A 122 -7.221 17.065 -5.853 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -6.228 16.603 -5.292 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -7.638 18.303 -5.650 1.00 2.69 N ATOM 0 H GLN A 122 -7.440 15.456 -4.285 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.689 14.366 -5.568 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -6.787 14.517 -6.470 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -8.156 14.203 -7.518 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -7.737 16.480 -7.844 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -9.084 16.476 -6.723 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -8.466 18.648 -6.135 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -7.131 18.913 -5.008 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.338 12.241 -4.698 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.018 10.831 -4.543 1.00 0.53 C ATOM 2027 C VAL A 123 -7.981 10.171 -3.566 1.00 0.48 C ATOM 2028 O VAL A 123 -8.510 9.096 -3.835 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.571 10.628 -4.043 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.261 9.148 -3.876 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.575 11.283 -4.992 1.00 1.28 C ATOM 0 H VAL A 123 -6.660 12.874 -4.273 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.114 10.368 -5.525 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.478 11.107 -3.068 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.237 9.028 -3.523 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.948 8.712 -3.151 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.376 8.642 -4.834 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.562 11.128 -4.620 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -4.670 10.839 -5.983 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -4.779 12.352 -5.053 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.212 10.831 -2.434 1.00 0.48 N ATOM 2042 CA VAL A 124 -9.118 10.315 -1.412 1.00 0.49 C ATOM 2043 C VAL A 124 -10.502 10.058 -2.001 1.00 0.47 C ATOM 2044 O VAL A 124 -11.085 8.992 -1.801 1.00 0.50 O ATOM 2045 CB VAL A 124 -9.238 11.293 -0.223 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -10.273 10.810 0.786 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -7.888 11.478 0.448 1.00 1.11 C ATOM 0 H VAL A 124 -7.783 11.727 -2.201 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.700 9.376 -1.049 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.572 12.255 -0.611 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -10.335 11.519 1.612 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -11.246 10.732 0.301 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -9.980 9.832 1.169 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -7.989 12.170 1.284 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -7.529 10.516 0.814 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -7.176 11.881 -0.272 1.00 1.11 H new ATOM 2057 N ASN A 125 -11.001 11.034 -2.756 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.316 10.930 -3.387 1.00 0.50 C ATOM 2059 C ASN A 125 -12.347 9.784 -4.389 1.00 0.49 C ATOM 2060 O ASN A 125 -13.359 9.090 -4.525 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.674 12.245 -4.088 1.00 0.58 C ATOM 2062 CG ASN A 125 -13.318 13.250 -3.154 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -14.544 13.330 -3.059 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -12.499 14.030 -2.466 1.00 1.74 N ATOM 0 H ASN A 125 -10.513 11.909 -2.947 1.00 0.47 H new ATOM 0 HA ASN A 125 -13.051 10.729 -2.608 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.772 12.680 -4.517 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -13.352 12.038 -4.916 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -12.877 14.730 -1.828 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -11.490 13.931 -2.574 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.231 9.581 -5.082 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.137 8.513 -6.071 1.00 0.48 C ATOM 2073 C ASP A 126 -11.179 7.153 -5.386 1.00 0.45 C ATOM 2074 O ASP A 126 -11.815 6.219 -5.872 1.00 0.48 O ATOM 2075 CB ASP A 126 -9.859 8.644 -6.904 1.00 0.52 C ATOM 2076 CG ASP A 126 -9.939 7.858 -8.200 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -11.037 7.803 -8.796 1.00 1.44 O ATOM 2078 OD2 ASP A 126 -8.910 7.303 -8.636 1.00 1.43 O ATOM 0 H ASP A 126 -10.383 10.139 -4.978 1.00 0.47 H new ATOM 0 HA ASP A 126 -11.991 8.599 -6.742 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.679 9.695 -7.129 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.008 8.293 -6.320 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.503 7.049 -4.248 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.476 5.810 -3.482 1.00 0.42 C ATOM 2085 C ILE A 127 -11.877 5.465 -2.985 1.00 0.43 C ATOM 2086 O ILE A 127 -12.339 4.329 -3.131 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.519 5.908 -2.272 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.092 6.209 -2.734 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.549 4.621 -1.462 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.127 6.484 -1.596 1.00 0.46 C ATOM 0 H ILE A 127 -9.965 7.811 -3.835 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.114 5.026 -4.147 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.857 6.727 -1.637 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.722 5.365 -3.316 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.110 7.072 -3.400 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.869 4.709 -0.614 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.561 4.443 -1.099 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.238 3.787 -2.092 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.136 6.689 -2.001 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.472 7.347 -1.027 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -7.079 5.614 -0.942 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.555 6.462 -2.421 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.903 6.285 -1.893 1.00 0.51 C ATOM 2104 C GLU A 128 -14.863 5.793 -2.976 1.00 0.52 C ATOM 2105 O GLU A 128 -15.563 4.794 -2.792 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.422 7.599 -1.304 1.00 0.62 C ATOM 2107 CG GLU A 128 -13.621 8.095 -0.109 1.00 1.04 C ATOM 2108 CD GLU A 128 -14.247 9.308 0.555 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -13.940 10.447 0.150 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -15.047 9.124 1.495 1.00 2.05 O ATOM 0 H GLU A 128 -12.188 7.408 -2.318 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.854 5.531 -1.107 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -14.410 8.364 -2.080 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -15.461 7.466 -1.003 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.532 7.291 0.622 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -12.611 8.344 -0.433 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.874 6.480 -4.113 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.760 6.121 -5.216 1.00 0.64 C ATOM 2119 C ARG A 129 -15.413 4.746 -5.793 1.00 0.59 C ATOM 2120 O ARG A 129 -16.276 4.068 -6.354 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.725 7.193 -6.315 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.451 7.193 -7.142 1.00 1.07 C ATOM 2123 CD ARG A 129 -14.484 8.253 -8.228 1.00 1.55 C ATOM 2124 NE ARG A 129 -15.591 8.050 -9.161 1.00 2.26 N ATOM 2125 CZ ARG A 129 -15.693 8.652 -10.347 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -14.743 9.480 -10.762 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -16.745 8.416 -11.119 1.00 3.98 N ATOM 0 H ARG A 129 -14.280 7.289 -4.296 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.773 6.067 -4.818 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -16.576 7.045 -6.979 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.847 8.174 -5.855 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.595 7.367 -6.490 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.312 6.212 -7.596 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -14.573 9.238 -7.770 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -13.542 8.240 -8.776 1.00 1.55 H new ATOM 0 HE ARG A 129 -16.333 7.406 -8.887 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -13.930 9.659 -10.173 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -14.826 9.938 -11.670 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -17.474 7.775 -10.806 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -16.825 8.875 -12.026 1.00 3.98 H new ATOM 2141 N SER A 130 -14.158 4.329 -5.651 1.00 0.56 N ATOM 2142 CA SER A 130 -13.730 3.028 -6.157 1.00 0.57 C ATOM 2143 C SER A 130 -14.378 1.906 -5.351 1.00 0.54 C ATOM 2144 O SER A 130 -14.770 0.873 -5.899 1.00 0.60 O ATOM 2145 CB SER A 130 -12.204 2.902 -6.097 1.00 0.58 C ATOM 2146 OG SER A 130 -11.577 3.813 -6.981 1.00 0.70 O ATOM 0 H SER A 130 -13.424 4.869 -5.193 1.00 0.56 H new ATOM 0 HA SER A 130 -14.046 2.944 -7.197 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.862 3.086 -5.079 1.00 0.58 H new ATOM 0 HB3 SER A 130 -11.911 1.884 -6.353 1.00 0.58 H new ATOM 0 HG SER A 130 -11.626 4.718 -6.607 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.508 2.129 -4.050 1.00 0.49 N ATOM 2153 CA LEU A 131 -15.107 1.145 -3.161 1.00 0.50 C ATOM 2154 C LEU A 131 -16.623 1.137 -3.314 1.00 0.52 C ATOM 2155 O LEU A 131 -17.245 0.077 -3.358 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.733 1.445 -1.709 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.240 1.671 -1.456 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -13.006 2.163 -0.039 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -12.450 0.395 -1.715 1.00 1.33 C ATOM 0 H LEU A 131 -14.205 2.986 -3.587 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.723 0.161 -3.431 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -15.279 2.331 -1.385 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.070 0.617 -1.085 1.00 0.52 H new ATOM 0 HG LEU A 131 -12.890 2.437 -2.148 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.939 2.318 0.121 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -13.536 3.104 0.112 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -13.375 1.421 0.669 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -11.392 0.578 -1.529 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.804 -0.393 -1.051 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -12.588 0.085 -2.751 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.201 2.328 -3.415 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.644 2.481 -3.556 1.00 0.62 C ATOM 2173 C ALA A 132 -19.160 1.836 -4.841 1.00 0.64 C ATOM 2174 O ALA A 132 -20.194 1.168 -4.835 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.017 3.955 -3.521 1.00 0.68 C ATOM 0 H ALA A 132 -16.687 3.209 -3.402 1.00 0.56 H new ATOM 0 HA ALA A 132 -19.116 1.968 -2.718 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.097 4.060 -3.627 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.702 4.388 -2.571 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.520 4.476 -4.340 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.422 2.026 -5.933 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.807 1.477 -7.231 1.00 0.73 C ATOM 2183 C ALA A 133 -18.821 -0.046 -7.209 1.00 0.73 C ATOM 2184 O ALA A 133 -19.608 -0.679 -7.910 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.869 1.980 -8.318 1.00 0.84 C ATOM 0 H ALA A 133 -17.552 2.558 -5.944 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.819 1.818 -7.450 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -18.169 1.562 -9.279 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.916 3.068 -8.365 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.849 1.671 -8.090 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.962 -0.634 -6.385 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.886 -2.083 -6.280 1.00 0.74 C ATOM 2193 C ALA A 134 -19.149 -2.649 -5.636 1.00 0.84 C ATOM 2194 O ALA A 134 -19.476 -3.823 -5.808 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.650 -2.492 -5.492 1.00 0.72 C ATOM 0 H ALA A 134 -17.311 -0.130 -5.782 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.808 -2.496 -7.286 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.607 -3.579 -5.422 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.757 -2.125 -5.999 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.700 -2.065 -4.490 1.00 0.72 H new ATOM 2201 N LEU A 135 -19.864 -1.799 -4.907 1.00 0.73 N ATOM 2202 CA LEU A 135 -21.093 -2.203 -4.236 1.00 0.91 C ATOM 2203 C LEU A 135 -22.310 -1.779 -5.054 1.00 1.26 C ATOM 2204 O LEU A 135 -23.454 -1.980 -4.642 1.00 1.57 O ATOM 2205 CB LEU A 135 -21.162 -1.584 -2.839 1.00 2.01 C ATOM 2206 CG LEU A 135 -20.002 -1.947 -1.905 1.00 2.93 C ATOM 2207 CD1 LEU A 135 -20.063 -1.125 -0.628 1.00 4.04 C ATOM 2208 CD2 LEU A 135 -20.023 -3.431 -1.577 1.00 3.38 C ATOM 0 H LEU A 135 -19.611 -0.821 -4.766 1.00 0.73 H new ATOM 0 HA LEU A 135 -21.094 -3.289 -4.142 1.00 0.91 H new ATOM 0 HB2 LEU A 135 -21.199 -0.499 -2.941 1.00 2.01 H new ATOM 0 HB3 LEU A 135 -22.096 -1.892 -2.369 1.00 2.01 H new ATOM 0 HG LEU A 135 -19.069 -1.718 -2.419 1.00 2.93 H new ATOM 0 HD11 LEU A 135 -19.231 -1.398 0.021 1.00 4.04 H new ATOM 0 HD12 LEU A 135 -19.998 -0.065 -0.874 1.00 4.04 H new ATOM 0 HD13 LEU A 135 -21.004 -1.321 -0.114 1.00 4.04 H new ATOM 0 HD21 LEU A 135 -19.192 -3.669 -0.913 1.00 3.38 H new ATOM 0 HD22 LEU A 135 -20.963 -3.682 -1.086 1.00 3.38 H new ATOM 0 HD23 LEU A 135 -19.929 -4.008 -2.497 1.00 3.38 H new ATOM 2220 N GLU A 136 -22.052 -1.200 -6.218 1.00 2.14 N ATOM 2221 CA GLU A 136 -23.110 -0.741 -7.103 1.00 3.37 C ATOM 2222 C GLU A 136 -23.358 -1.760 -8.212 1.00 4.00 C ATOM 2223 O GLU A 136 -23.765 -1.404 -9.315 1.00 5.01 O ATOM 2224 CB GLU A 136 -22.746 0.617 -7.712 1.00 4.37 C ATOM 2225 CG GLU A 136 -22.959 1.787 -6.767 1.00 4.99 C ATOM 2226 CD GLU A 136 -22.564 3.116 -7.387 1.00 5.94 C ATOM 2227 OE1 GLU A 136 -22.966 3.388 -8.539 1.00 6.64 O ATOM 2228 OE2 GLU A 136 -21.862 3.904 -6.721 1.00 6.28 O ATOM 0 H GLU A 136 -21.110 -1.037 -6.573 1.00 2.14 H new ATOM 0 HA GLU A 136 -24.023 -0.631 -6.517 1.00 3.37 H new ATOM 0 HB2 GLU A 136 -21.701 0.598 -8.022 1.00 4.37 H new ATOM 0 HB3 GLU A 136 -23.343 0.774 -8.611 1.00 4.37 H new ATOM 0 HG2 GLU A 136 -24.008 1.825 -6.472 1.00 4.99 H new ATOM 0 HG3 GLU A 136 -22.378 1.627 -5.859 1.00 4.99 H new ATOM 2235 N HIS A 137 -23.101 -3.027 -7.916 1.00 3.80 N ATOM 2236 CA HIS A 137 -23.301 -4.092 -8.888 1.00 4.84 C ATOM 2237 C HIS A 137 -23.438 -5.432 -8.182 1.00 4.89 C ATOM 2238 O HIS A 137 -24.560 -5.984 -8.166 1.00 5.24 O ATOM 2239 CB HIS A 137 -22.143 -4.140 -9.889 1.00 5.45 C ATOM 2240 CG HIS A 137 -22.535 -4.719 -11.210 1.00 6.36 C ATOM 2241 ND1 HIS A 137 -23.141 -3.979 -12.197 1.00 7.10 N ATOM 2242 CD2 HIS A 137 -22.412 -5.973 -11.706 1.00 6.97 C ATOM 2243 CE1 HIS A 137 -23.376 -4.748 -13.240 1.00 8.00 C ATOM 2244 NE2 HIS A 137 -22.946 -5.964 -12.970 1.00 7.94 N ATOM 0 H HIS A 137 -22.754 -3.342 -7.010 1.00 3.80 H new ATOM 0 HA HIS A 137 -24.221 -3.885 -9.435 1.00 4.84 H new ATOM 0 HB2 HIS A 137 -21.759 -3.131 -10.040 1.00 5.45 H new ATOM 0 HB3 HIS A 137 -21.330 -4.730 -9.467 1.00 5.45 H new ATOM 0 HD2 HIS A 137 -21.975 -6.822 -11.201 1.00 6.97 H new ATOM 0 HE1 HIS A 137 -23.843 -4.435 -14.162 1.00 8.00 H new ATOM 0 HE2 HIS A 137 -23.001 -6.766 -13.597 1.00 7.94 H new TER 2253 HIS A 137 ATOM 2254 N PRO B 206 2.785 -12.209 13.476 1.00 6.87 N ATOM 2255 CA PRO B 206 2.430 -11.233 14.518 1.00 6.09 C ATOM 2256 C PRO B 206 1.156 -10.447 14.193 1.00 5.34 C ATOM 2257 O PRO B 206 0.602 -9.788 15.072 1.00 4.88 O ATOM 2258 CB PRO B 206 3.603 -10.298 14.704 1.00 6.19 C ATOM 2259 CG PRO B 206 4.766 -11.057 14.151 1.00 7.03 C ATOM 2260 CD PRO B 206 4.246 -12.371 13.581 1.00 7.47 C ATOM 0 HA PRO B 206 2.215 -11.774 15.440 1.00 6.09 H new ATOM 0 HB2 PRO B 206 3.452 -9.358 14.173 1.00 6.19 H new ATOM 0 HB3 PRO B 206 3.752 -10.050 15.755 1.00 6.19 H new ATOM 0 HG2 PRO B 206 5.265 -10.477 13.375 1.00 7.03 H new ATOM 0 HG3 PRO B 206 5.503 -11.246 14.931 1.00 7.03 H new ATOM 0 HD2 PRO B 206 4.688 -12.577 12.606 1.00 7.47 H new ATOM 0 HD3 PRO B 206 4.502 -13.208 14.231 1.00 7.47 H new ATOM 2269 N SER B 207 0.701 -10.509 12.936 1.00 5.41 N ATOM 2270 CA SER B 207 -0.517 -9.815 12.501 1.00 4.96 C ATOM 2271 C SER B 207 -0.393 -8.292 12.617 1.00 4.06 C ATOM 2272 O SER B 207 -0.660 -7.704 13.665 1.00 3.56 O ATOM 2273 CB SER B 207 -1.725 -10.313 13.296 1.00 5.13 C ATOM 2274 OG SER B 207 -1.816 -11.728 13.239 1.00 6.02 O ATOM 0 H SER B 207 1.163 -11.038 12.196 1.00 5.41 H new ATOM 0 HA SER B 207 -0.660 -10.046 11.445 1.00 4.96 H new ATOM 0 HB2 SER B 207 -1.641 -9.991 14.334 1.00 5.13 H new ATOM 0 HB3 SER B 207 -2.637 -9.869 12.897 1.00 5.13 H new ATOM 0 HG SER B 207 -2.594 -12.027 13.755 1.00 6.02 H new ATOM 2280 N TYR B 208 0.007 -7.658 11.526 1.00 4.07 N ATOM 2281 CA TYR B 208 0.159 -6.206 11.491 1.00 3.41 C ATOM 2282 C TYR B 208 -1.199 -5.509 11.401 1.00 3.00 C ATOM 2283 O TYR B 208 -2.038 -5.885 10.573 1.00 3.53 O ATOM 2284 CB TYR B 208 1.045 -5.811 10.298 1.00 3.93 C ATOM 2285 CG TYR B 208 1.015 -4.335 9.942 1.00 3.62 C ATOM 2286 CD1 TYR B 208 1.874 -3.432 10.554 1.00 3.62 C ATOM 2287 CD2 TYR B 208 0.135 -3.850 8.983 1.00 3.72 C ATOM 2288 CE1 TYR B 208 1.854 -2.090 10.221 1.00 3.66 C ATOM 2289 CE2 TYR B 208 0.110 -2.510 8.646 1.00 3.76 C ATOM 2290 CZ TYR B 208 0.971 -1.635 9.266 1.00 3.70 C ATOM 2291 OH TYR B 208 0.948 -0.300 8.927 1.00 4.04 O ATOM 0 H TYR B 208 0.234 -8.125 10.648 1.00 4.07 H new ATOM 0 HA TYR B 208 0.634 -5.884 12.418 1.00 3.41 H new ATOM 0 HB2 TYR B 208 2.074 -6.096 10.518 1.00 3.93 H new ATOM 0 HB3 TYR B 208 0.734 -6.387 9.426 1.00 3.93 H new ATOM 0 HD1 TYR B 208 2.569 -3.783 11.302 1.00 3.62 H new ATOM 0 HD2 TYR B 208 -0.542 -4.533 8.492 1.00 3.72 H new ATOM 0 HE1 TYR B 208 2.528 -1.401 10.708 1.00 3.66 H new ATOM 0 HE2 TYR B 208 -0.583 -2.151 7.899 1.00 3.76 H new ATOM 0 HH TYR B 208 1.305 -0.186 8.021 1.00 4.04 H new HETATM 2301 N SEP B 209 -1.419 -4.511 12.260 1.00 2.36 N HETATM 2302 CA SEP B 209 -2.663 -3.752 12.243 1.00 2.38 C HETATM 2303 CB SEP B 209 -3.172 -3.510 13.668 1.00 2.36 C HETATM 2304 OG SEP B 209 -4.495 -4.014 13.836 1.00 3.00 O HETATM 2305 C SEP B 209 -2.411 -2.416 11.554 1.00 2.34 C HETATM 2306 O SEP B 209 -1.381 -1.795 11.798 1.00 2.07 O HETATM 2307 P SEP B 209 -5.775 -3.061 13.614 1.00 3.45 P HETATM 2308 O1P SEP B 209 -5.250 -1.755 13.185 1.00 3.38 O HETATM 2309 O2P SEP B 209 -6.624 -2.816 14.807 1.00 3.75 O HETATM 2310 O3P SEP B 209 -6.732 -3.515 12.574 1.00 4.19 O HETATM 0 HB3 SEP B 209 -2.504 -3.991 14.382 1.00 2.36 H new HETATM 0 HB2 SEP B 209 -3.157 -2.442 13.886 1.00 2.36 H new HETATM 0 HA SEP B 209 -3.421 -4.319 11.703 1.00 2.38 H new HETATM 0 H SEP B 209 -1.011 -4.802 13.149 1.00 2.36 H new ATOM 2315 N PRO B 210 -3.317 -1.958 10.667 1.00 2.97 N ATOM 2316 CA PRO B 210 -3.153 -0.672 9.966 1.00 3.35 C ATOM 2317 C PRO B 210 -3.049 0.504 10.938 1.00 3.29 C ATOM 2318 O PRO B 210 -2.436 1.529 10.633 1.00 3.60 O ATOM 2319 CB PRO B 210 -4.428 -0.546 9.122 1.00 4.20 C ATOM 2320 CG PRO B 210 -4.962 -1.933 9.004 1.00 4.35 C ATOM 2321 CD PRO B 210 -4.556 -2.649 10.261 1.00 3.65 C ATOM 0 HA PRO B 210 -2.236 -0.650 9.377 1.00 3.35 H new ATOM 0 HB2 PRO B 210 -5.152 0.115 9.599 1.00 4.20 H new ATOM 0 HB3 PRO B 210 -4.210 -0.124 8.141 1.00 4.20 H new ATOM 0 HG2 PRO B 210 -6.046 -1.924 8.894 1.00 4.35 H new ATOM 0 HG3 PRO B 210 -4.557 -2.432 8.124 1.00 4.35 H new ATOM 0 HD2 PRO B 210 -5.325 -2.578 11.030 1.00 3.65 H new ATOM 0 HD3 PRO B 210 -4.383 -3.710 10.080 1.00 3.65 H new ATOM 2329 N THR B 211 -3.650 0.340 12.109 1.00 3.21 N ATOM 2330 CA THR B 211 -3.632 1.373 13.131 1.00 3.59 C ATOM 2331 C THR B 211 -2.521 1.112 14.148 1.00 3.26 C ATOM 2332 O THR B 211 -2.417 1.802 15.163 1.00 3.82 O ATOM 2333 CB THR B 211 -4.984 1.448 13.868 1.00 4.11 C ATOM 2334 OG1 THR B 211 -5.974 0.672 13.172 1.00 4.33 O ATOM 2335 CG2 THR B 211 -5.460 2.888 13.985 1.00 4.95 C ATOM 0 H THR B 211 -4.158 -0.504 12.374 1.00 3.21 H new ATOM 0 HA THR B 211 -3.447 2.323 12.629 1.00 3.59 H new ATOM 0 HB THR B 211 -4.843 1.043 14.870 1.00 4.11 H new ATOM 0 HG1 THR B 211 -5.912 -0.265 13.453 1.00 4.33 H new ATOM 0 HG21 THR B 211 -6.416 2.914 14.509 1.00 4.95 H new ATOM 0 HG22 THR B 211 -4.725 3.470 14.542 1.00 4.95 H new ATOM 0 HG23 THR B 211 -5.581 3.313 12.989 1.00 4.95 H new ATOM 2343 N SER B 212 -1.690 0.115 13.864 1.00 2.62 N ATOM 2344 CA SER B 212 -0.595 -0.249 14.752 1.00 2.67 C ATOM 2345 C SER B 212 0.681 -0.521 13.950 1.00 2.47 C ATOM 2346 O SER B 212 0.952 -1.659 13.571 1.00 2.28 O ATOM 2347 CB SER B 212 -0.989 -1.477 15.578 1.00 2.77 C ATOM 2348 OG SER B 212 -2.139 -1.213 16.368 1.00 3.16 O ATOM 0 H SER B 212 -1.756 -0.457 13.022 1.00 2.62 H new ATOM 0 HA SER B 212 -0.394 0.582 15.429 1.00 2.67 H new ATOM 0 HB2 SER B 212 -1.186 -2.318 14.914 1.00 2.77 H new ATOM 0 HB3 SER B 212 -0.159 -1.767 16.223 1.00 2.77 H new ATOM 0 HG SER B 212 -2.371 -2.013 16.885 1.00 3.16 H new ATOM 2354 N PRO B 213 1.473 0.532 13.684 1.00 2.92 N ATOM 2355 CA PRO B 213 2.722 0.428 12.913 1.00 3.21 C ATOM 2356 C PRO B 213 3.712 -0.588 13.490 1.00 3.71 C ATOM 2357 O PRO B 213 4.055 -1.575 12.834 1.00 4.03 O ATOM 2358 CB PRO B 213 3.308 1.842 12.989 1.00 3.80 C ATOM 2359 CG PRO B 213 2.136 2.724 13.250 1.00 4.01 C ATOM 2360 CD PRO B 213 1.207 1.917 14.110 1.00 3.53 C ATOM 0 HA PRO B 213 2.530 0.076 11.899 1.00 3.21 H new ATOM 0 HB2 PRO B 213 4.048 1.921 13.785 1.00 3.80 H new ATOM 0 HB3 PRO B 213 3.809 2.114 12.060 1.00 3.80 H new ATOM 0 HG2 PRO B 213 2.440 3.641 13.755 1.00 4.01 H new ATOM 0 HG3 PRO B 213 1.652 3.018 12.319 1.00 4.01 H new ATOM 0 HD2 PRO B 213 1.414 2.059 15.171 1.00 3.53 H new ATOM 0 HD3 PRO B 213 0.165 2.195 13.949 1.00 3.53 H new ATOM 2368 N SER B 214 4.177 -0.340 14.710 1.00 4.09 N ATOM 2369 CA SER B 214 5.128 -1.224 15.376 1.00 4.82 C ATOM 2370 C SER B 214 5.055 -1.028 16.887 1.00 5.05 C ATOM 2371 O SER B 214 5.612 -0.033 17.385 1.00 5.14 O ATOM 2372 CB SER B 214 6.555 -0.958 14.880 1.00 5.57 C ATOM 2373 OG SER B 214 6.672 -1.212 13.489 1.00 5.55 O ATOM 2374 OXT SER B 214 4.422 -1.862 17.566 1.00 5.39 O ATOM 0 H SER B 214 3.908 0.474 15.262 1.00 4.09 H new ATOM 0 HA SER B 214 4.866 -2.255 15.137 1.00 4.82 H new ATOM 0 HB2 SER B 214 6.828 0.077 15.087 1.00 5.57 H new ATOM 0 HB3 SER B 214 7.256 -1.588 15.427 1.00 5.57 H new ATOM 0 HG SER B 214 7.591 -1.033 13.200 1.00 5.55 H new TER 2380 SER B 214