USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 GLN : amide:sc= -1.52 K(o=-6.4,f=-8.9!) USER MOD Set 1.2: A 113 HIS : no HD1:sc= 0 K(o=-6.4,f=-9.1) USER MOD Set 1.3: A 117 GLN : amide:sc= -4.84! K(o=-6.4!,f=-8.9) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00671 USER MOD Single : A 95 ASN : amide:sc= 0.0844 K(o=0.084,f=-10!) USER MOD Single : A 96 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.5!) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= -0.0556 (180deg=-0.253) USER MOD Single : A 100 SER OG : rot 48:sc= 0.181 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= 1.28 (180deg=0.926) USER MOD Single : A 116 GLN : amide:sc= -0.765 K(o=-0.76,f=-2.1!) USER MOD Single : A 119 SER OG : rot 64:sc= 1.18 USER MOD Single : A 125 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.56) USER MOD Single : A 132 THR OG1 : rot -160:sc= 0.0213 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 TYR OH : rot 91:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 129:sc= -0.0518 (180deg=-0.466) USER MOD Single : A 153 SER OG : rot -86:sc= 0.878 USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -110:sc= -0.477 (180deg=-2!) USER MOD Single : A 158 ASN : amide:sc= 0.00714 X(o=0.0071,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 86 15.788 -12.440 -0.137 1.00 0.00 N ATOM 2 CA ASP A 86 15.454 -11.160 0.488 1.00 0.00 C ATOM 3 C ASP A 86 14.849 -10.223 -0.551 1.00 0.00 C ATOM 4 O ASP A 86 14.857 -9.004 -0.401 1.00 0.00 O ATOM 5 CB ASP A 86 16.707 -10.532 1.114 1.00 0.00 C ATOM 6 CG ASP A 86 16.383 -9.497 2.180 1.00 0.00 C ATOM 7 OD1 ASP A 86 16.077 -9.897 3.324 1.00 0.00 O ATOM 8 OD2 ASP A 86 16.455 -8.283 1.891 1.00 0.00 O ATOM 0 HA ASP A 86 14.723 -11.328 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 86 17.320 -11.319 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.303 -10.064 0.330 1.00 0.00 H new ATOM 13 N GLU A 87 14.305 -10.816 -1.602 1.00 0.00 N ATOM 14 CA GLU A 87 13.750 -10.063 -2.719 1.00 0.00 C ATOM 15 C GLU A 87 12.532 -9.250 -2.289 1.00 0.00 C ATOM 16 O GLU A 87 11.551 -9.800 -1.785 1.00 0.00 O ATOM 17 CB GLU A 87 13.363 -11.006 -3.866 1.00 0.00 C ATOM 18 CG GLU A 87 14.545 -11.621 -4.609 1.00 0.00 C ATOM 19 CD GLU A 87 15.506 -12.359 -3.698 1.00 0.00 C ATOM 20 OE1 GLU A 87 15.054 -13.203 -2.900 1.00 0.00 O ATOM 21 OE2 GLU A 87 16.720 -12.067 -3.749 1.00 0.00 O ATOM 0 H GLU A 87 14.235 -11.828 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 87 14.520 -9.374 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.745 -11.809 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.749 -10.456 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.171 -12.310 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.085 -10.833 -5.134 1.00 0.00 H new ATOM 28 N PRO A 88 12.596 -7.921 -2.456 1.00 0.00 N ATOM 29 CA PRO A 88 11.470 -7.045 -2.191 1.00 0.00 C ATOM 30 C PRO A 88 10.552 -6.912 -3.403 1.00 0.00 C ATOM 31 O PRO A 88 10.944 -7.209 -4.533 1.00 0.00 O ATOM 32 CB PRO A 88 12.146 -5.714 -1.871 1.00 0.00 C ATOM 33 CG PRO A 88 13.406 -5.719 -2.671 1.00 0.00 C ATOM 34 CD PRO A 88 13.781 -7.166 -2.905 1.00 0.00 C ATOM 0 HA PRO A 88 10.827 -7.415 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.509 -4.872 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.355 -5.624 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.262 -5.201 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.201 -5.196 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.000 -7.356 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.670 -7.444 -2.338 1.00 0.00 H new ATOM 42 N LEU A 89 9.335 -6.469 -3.158 1.00 0.00 N ATOM 43 CA LEU A 89 8.352 -6.291 -4.204 1.00 0.00 C ATOM 44 C LEU A 89 8.060 -4.807 -4.383 1.00 0.00 C ATOM 45 O LEU A 89 7.499 -4.156 -3.499 1.00 0.00 O ATOM 46 CB LEU A 89 7.072 -7.053 -3.859 1.00 0.00 C ATOM 47 CG LEU A 89 5.929 -6.917 -4.865 1.00 0.00 C ATOM 48 CD1 LEU A 89 6.343 -7.425 -6.237 1.00 0.00 C ATOM 49 CD2 LEU A 89 4.713 -7.670 -4.365 1.00 0.00 C ATOM 0 H LEU A 89 9.001 -6.222 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 89 8.745 -6.688 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.317 -8.110 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.718 -6.711 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 89 5.679 -5.861 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.510 -7.316 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.194 -6.847 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.622 -8.476 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.901 -7.570 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.962 -8.724 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.399 -7.258 -3.406 1.00 0.00 H new ATOM 61 N SER A 90 8.476 -4.272 -5.515 1.00 0.00 N ATOM 62 CA SER A 90 8.308 -2.863 -5.800 1.00 0.00 C ATOM 63 C SER A 90 6.932 -2.596 -6.405 1.00 0.00 C ATOM 64 O SER A 90 6.623 -3.059 -7.504 1.00 0.00 O ATOM 65 CB SER A 90 9.411 -2.393 -6.750 1.00 0.00 C ATOM 66 OG SER A 90 9.407 -0.986 -6.890 1.00 0.00 O ATOM 0 H SER A 90 8.937 -4.799 -6.257 1.00 0.00 H new ATOM 0 HA SER A 90 8.381 -2.304 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.381 -2.720 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.275 -2.858 -7.727 1.00 0.00 H new ATOM 0 HG SER A 90 10.124 -0.716 -7.501 1.00 0.00 H new ATOM 72 N ILE A 91 6.111 -1.859 -5.672 1.00 0.00 N ATOM 73 CA ILE A 91 4.793 -1.470 -6.148 1.00 0.00 C ATOM 74 C ILE A 91 4.771 0.025 -6.455 1.00 0.00 C ATOM 75 O ILE A 91 5.648 0.773 -6.006 1.00 0.00 O ATOM 76 CB ILE A 91 3.691 -1.802 -5.119 1.00 0.00 C ATOM 77 CG1 ILE A 91 3.961 -1.090 -3.788 1.00 0.00 C ATOM 78 CG2 ILE A 91 3.596 -3.310 -4.917 1.00 0.00 C ATOM 79 CD1 ILE A 91 2.887 -1.320 -2.744 1.00 0.00 C ATOM 0 H ILE A 91 6.337 -1.516 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 91 4.589 -2.039 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 91 2.736 -1.444 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.918 -1.430 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.054 -0.020 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.815 -3.531 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.354 -3.790 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.550 -3.689 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.147 -0.785 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.931 -0.954 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.809 -2.386 -2.531 1.00 0.00 H new ATOM 91 N LEU A 92 3.777 0.461 -7.208 1.00 0.00 N ATOM 92 CA LEU A 92 3.699 1.851 -7.619 1.00 0.00 C ATOM 93 C LEU A 92 2.472 2.524 -7.015 1.00 0.00 C ATOM 94 O LEU A 92 1.337 2.215 -7.376 1.00 0.00 O ATOM 95 CB LEU A 92 3.664 1.944 -9.144 1.00 0.00 C ATOM 96 CG LEU A 92 3.847 3.349 -9.714 1.00 0.00 C ATOM 97 CD1 LEU A 92 5.207 3.905 -9.326 1.00 0.00 C ATOM 98 CD2 LEU A 92 3.697 3.334 -11.223 1.00 0.00 C ATOM 0 H LEU A 92 3.014 -0.126 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 92 4.585 2.372 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.445 1.300 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.711 1.548 -9.494 1.00 0.00 H new ATOM 0 HG LEU A 92 3.074 3.994 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.322 4.907 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.285 3.950 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.991 3.258 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.830 4.343 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.449 2.675 -11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.703 2.972 -11.486 1.00 0.00 H new ATOM 110 N VAL A 93 2.706 3.438 -6.086 1.00 0.00 N ATOM 111 CA VAL A 93 1.625 4.142 -5.414 1.00 0.00 C ATOM 112 C VAL A 93 1.502 5.567 -5.944 1.00 0.00 C ATOM 113 O VAL A 93 2.353 6.419 -5.690 1.00 0.00 O ATOM 114 CB VAL A 93 1.831 4.178 -3.881 1.00 0.00 C ATOM 115 CG1 VAL A 93 0.653 4.855 -3.194 1.00 0.00 C ATOM 116 CG2 VAL A 93 2.044 2.771 -3.331 1.00 0.00 C ATOM 0 H VAL A 93 3.640 3.711 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 93 0.706 3.595 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 93 2.727 4.763 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.819 4.869 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.557 5.877 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.262 4.304 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.187 2.820 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.171 2.157 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.926 2.329 -3.794 1.00 0.00 H new ATOM 126 N ARG A 94 0.440 5.815 -6.684 1.00 0.00 N ATOM 127 CA ARG A 94 0.181 7.127 -7.254 1.00 0.00 C ATOM 128 C ARG A 94 -0.700 7.928 -6.301 1.00 0.00 C ATOM 129 O ARG A 94 -1.832 7.536 -6.017 1.00 0.00 O ATOM 130 CB ARG A 94 -0.484 6.968 -8.625 1.00 0.00 C ATOM 131 CG ARG A 94 -0.958 8.267 -9.258 1.00 0.00 C ATOM 132 CD ARG A 94 -1.426 8.032 -10.686 1.00 0.00 C ATOM 133 NE ARG A 94 -2.240 9.135 -11.195 1.00 0.00 N ATOM 134 CZ ARG A 94 -2.041 9.746 -12.364 1.00 0.00 C ATOM 135 NH1 ARG A 94 -0.998 9.438 -13.125 1.00 0.00 N ATOM 136 NH2 ARG A 94 -2.887 10.681 -12.763 1.00 0.00 N ATOM 0 H ARG A 94 -0.268 5.116 -6.908 1.00 0.00 H new ATOM 0 HA ARG A 94 1.118 7.668 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.222 6.487 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.337 6.297 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.772 8.688 -8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.148 8.997 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.559 7.896 -11.332 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.003 7.108 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.014 9.460 -10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.336 8.726 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.859 9.914 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.685 10.930 -12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.742 11.153 -13.656 1.00 0.00 H new ATOM 150 N ASN A 95 -0.169 9.035 -5.792 1.00 0.00 N ATOM 151 CA ASN A 95 -0.872 9.818 -4.777 1.00 0.00 C ATOM 152 C ASN A 95 -1.906 10.752 -5.406 1.00 0.00 C ATOM 153 O ASN A 95 -1.580 11.807 -5.952 1.00 0.00 O ATOM 154 CB ASN A 95 0.109 10.590 -3.868 1.00 0.00 C ATOM 155 CG ASN A 95 0.980 11.606 -4.592 1.00 0.00 C ATOM 156 OD1 ASN A 95 1.251 11.481 -5.778 1.00 0.00 O ATOM 157 ND2 ASN A 95 1.448 12.614 -3.868 1.00 0.00 N ATOM 0 H ASN A 95 0.740 9.410 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.411 9.113 -4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.462 11.106 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.755 9.873 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.053 13.314 -4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.203 12.690 -2.881 1.00 0.00 H new ATOM 164 N ASN A 96 -3.158 10.312 -5.341 1.00 0.00 N ATOM 165 CA ASN A 96 -4.321 11.075 -5.801 1.00 0.00 C ATOM 166 C ASN A 96 -4.308 11.310 -7.314 1.00 0.00 C ATOM 167 O ASN A 96 -5.041 10.650 -8.051 1.00 0.00 O ATOM 168 CB ASN A 96 -4.449 12.403 -5.044 1.00 0.00 C ATOM 169 CG ASN A 96 -5.819 13.029 -5.224 1.00 0.00 C ATOM 170 OD1 ASN A 96 -6.030 13.870 -6.097 1.00 0.00 O ATOM 171 ND2 ASN A 96 -6.763 12.614 -4.394 1.00 0.00 N ATOM 0 H ASN A 96 -3.401 9.398 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.198 10.467 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.264 12.235 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.685 13.096 -5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -7.707 12.994 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -6.546 11.915 -3.684 1.00 0.00 H new ATOM 178 N LYS A 97 -3.477 12.233 -7.784 1.00 0.00 N ATOM 179 CA LYS A 97 -3.470 12.601 -9.195 1.00 0.00 C ATOM 180 C LYS A 97 -2.118 13.153 -9.629 1.00 0.00 C ATOM 181 O LYS A 97 -2.037 13.863 -10.634 1.00 0.00 O ATOM 182 CB LYS A 97 -4.540 13.661 -9.472 1.00 0.00 C ATOM 183 CG LYS A 97 -4.402 14.907 -8.605 1.00 0.00 C ATOM 184 CD LYS A 97 -5.152 16.095 -9.194 1.00 0.00 C ATOM 185 CE LYS A 97 -4.267 16.911 -10.130 1.00 0.00 C ATOM 186 NZ LYS A 97 -3.756 16.114 -11.279 1.00 0.00 N ATOM 0 H LYS A 97 -2.801 12.739 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.678 11.694 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.489 13.951 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.525 13.223 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.782 14.697 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.347 15.160 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.027 15.740 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.515 16.733 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.833 17.763 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.424 17.312 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.261 16.742 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.097 15.388 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.553 15.655 -11.765 1.00 0.00 H new ATOM 200 N GLY A 98 -1.064 12.832 -8.894 1.00 0.00 N ATOM 201 CA GLY A 98 0.224 13.428 -9.189 1.00 0.00 C ATOM 202 C GLY A 98 1.352 12.425 -9.334 1.00 0.00 C ATOM 203 O GLY A 98 1.565 11.862 -10.409 1.00 0.00 O ATOM 0 H GLY A 98 -1.074 12.180 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.143 14.004 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.477 14.131 -8.396 1.00 0.00 H new ATOM 207 N ARG A 99 2.059 12.192 -8.242 1.00 0.00 N ATOM 208 CA ARG A 99 3.319 11.464 -8.273 1.00 0.00 C ATOM 209 C ARG A 99 3.101 9.955 -8.227 1.00 0.00 C ATOM 210 O ARG A 99 2.336 9.445 -7.407 1.00 0.00 O ATOM 211 CB ARG A 99 4.189 11.890 -7.086 1.00 0.00 C ATOM 212 CG ARG A 99 5.644 11.467 -7.205 1.00 0.00 C ATOM 213 CD ARG A 99 6.447 11.891 -5.987 1.00 0.00 C ATOM 214 NE ARG A 99 7.877 11.642 -6.160 1.00 0.00 N ATOM 215 CZ ARG A 99 8.651 11.074 -5.237 1.00 0.00 C ATOM 216 NH1 ARG A 99 8.128 10.648 -4.096 1.00 0.00 N ATOM 217 NH2 ARG A 99 9.951 10.929 -5.463 1.00 0.00 N ATOM 0 H ARG A 99 1.779 12.500 -7.311 1.00 0.00 H new ATOM 0 HA ARG A 99 3.819 11.704 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.143 12.974 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.772 11.467 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.701 10.385 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.080 11.908 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.284 12.952 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.088 11.351 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 99 8.308 11.920 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.129 10.755 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.725 10.214 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.355 11.252 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.546 10.494 -4.758 1.00 0.00 H new ATOM 231 N SER A 100 3.770 9.244 -9.120 1.00 0.00 N ATOM 232 CA SER A 100 3.799 7.796 -9.062 1.00 0.00 C ATOM 233 C SER A 100 4.957 7.347 -8.174 1.00 0.00 C ATOM 234 O SER A 100 6.091 7.204 -8.633 1.00 0.00 O ATOM 235 CB SER A 100 3.921 7.208 -10.469 1.00 0.00 C ATOM 236 OG SER A 100 4.945 7.854 -11.209 1.00 0.00 O ATOM 0 H SER A 100 4.299 9.648 -9.893 1.00 0.00 H new ATOM 0 HA SER A 100 2.867 7.431 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.135 6.141 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.970 7.311 -10.992 1.00 0.00 H new ATOM 0 HG SER A 100 5.757 7.911 -10.663 1.00 0.00 H new ATOM 242 N SER A 101 4.666 7.160 -6.898 1.00 0.00 N ATOM 243 CA SER A 101 5.688 6.859 -5.912 1.00 0.00 C ATOM 244 C SER A 101 6.010 5.367 -5.907 1.00 0.00 C ATOM 245 O SER A 101 5.125 4.528 -5.747 1.00 0.00 O ATOM 246 CB SER A 101 5.210 7.300 -4.530 1.00 0.00 C ATOM 247 OG SER A 101 4.608 8.584 -4.584 1.00 0.00 O ATOM 0 H SER A 101 3.721 7.212 -6.519 1.00 0.00 H new ATOM 0 HA SER A 101 6.597 7.402 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.495 6.576 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.053 7.319 -3.839 1.00 0.00 H new ATOM 0 HG SER A 101 4.309 8.843 -3.687 1.00 0.00 H new ATOM 253 N THR A 102 7.277 5.042 -6.088 1.00 0.00 N ATOM 254 CA THR A 102 7.713 3.656 -6.132 1.00 0.00 C ATOM 255 C THR A 102 8.122 3.166 -4.738 1.00 0.00 C ATOM 256 O THR A 102 9.103 3.646 -4.168 1.00 0.00 O ATOM 257 CB THR A 102 8.895 3.506 -7.101 1.00 0.00 C ATOM 258 OG1 THR A 102 8.593 4.177 -8.331 1.00 0.00 O ATOM 259 CG2 THR A 102 9.190 2.042 -7.383 1.00 0.00 C ATOM 0 H THR A 102 8.027 5.723 -6.208 1.00 0.00 H new ATOM 0 HA THR A 102 6.878 3.048 -6.482 1.00 0.00 H new ATOM 0 HB THR A 102 9.776 3.951 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.348 4.083 -8.949 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.031 1.967 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.438 1.535 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.313 1.573 -7.829 1.00 0.00 H new ATOM 267 N TYR A 103 7.361 2.223 -4.191 1.00 0.00 N ATOM 268 CA TYR A 103 7.636 1.688 -2.856 1.00 0.00 C ATOM 269 C TYR A 103 8.015 0.214 -2.929 1.00 0.00 C ATOM 270 O TYR A 103 7.350 -0.571 -3.600 1.00 0.00 O ATOM 271 CB TYR A 103 6.420 1.856 -1.938 1.00 0.00 C ATOM 272 CG TYR A 103 6.176 3.279 -1.483 1.00 0.00 C ATOM 273 CD1 TYR A 103 5.396 4.147 -2.231 1.00 0.00 C ATOM 274 CD2 TYR A 103 6.726 3.748 -0.296 1.00 0.00 C ATOM 275 CE1 TYR A 103 5.171 5.443 -1.810 1.00 0.00 C ATOM 276 CE2 TYR A 103 6.502 5.044 0.133 1.00 0.00 C ATOM 277 CZ TYR A 103 5.724 5.888 -0.629 1.00 0.00 C ATOM 278 OH TYR A 103 5.502 7.182 -0.213 1.00 0.00 O ATOM 0 H TYR A 103 6.548 1.812 -4.650 1.00 0.00 H new ATOM 0 HA TYR A 103 8.473 2.251 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.533 1.496 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 103 6.552 1.224 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.958 3.805 -3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 103 7.339 3.089 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.562 6.107 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 103 6.934 5.392 1.059 1.00 0.00 H new ATOM 0 HH TYR A 103 5.961 7.335 0.639 1.00 0.00 H new ATOM 288 N GLU A 104 9.084 -0.155 -2.241 1.00 0.00 N ATOM 289 CA GLU A 104 9.549 -1.534 -2.236 1.00 0.00 C ATOM 290 C GLU A 104 9.255 -2.208 -0.899 1.00 0.00 C ATOM 291 O GLU A 104 9.997 -2.049 0.076 1.00 0.00 O ATOM 292 CB GLU A 104 11.041 -1.583 -2.540 1.00 0.00 C ATOM 293 CG GLU A 104 11.395 -0.964 -3.879 1.00 0.00 C ATOM 294 CD GLU A 104 12.879 -0.752 -4.043 1.00 0.00 C ATOM 295 OE1 GLU A 104 13.422 0.174 -3.405 1.00 0.00 O ATOM 296 OE2 GLU A 104 13.513 -1.500 -4.815 1.00 0.00 O ATOM 0 H GLU A 104 9.647 0.482 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 104 9.011 -2.080 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.584 -1.063 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.375 -2.621 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.032 -1.608 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.881 -0.008 -3.981 1.00 0.00 H new ATOM 303 N VAL A 105 8.161 -2.946 -0.862 1.00 0.00 N ATOM 304 CA VAL A 105 7.746 -3.665 0.334 1.00 0.00 C ATOM 305 C VAL A 105 8.053 -5.144 0.170 1.00 0.00 C ATOM 306 O VAL A 105 8.599 -5.551 -0.849 1.00 0.00 O ATOM 307 CB VAL A 105 6.240 -3.477 0.603 1.00 0.00 C ATOM 308 CG1 VAL A 105 5.917 -2.007 0.795 1.00 0.00 C ATOM 309 CG2 VAL A 105 5.406 -4.063 -0.528 1.00 0.00 C ATOM 0 H VAL A 105 7.534 -3.066 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 105 8.297 -3.263 1.184 1.00 0.00 H new ATOM 0 HB VAL A 105 5.989 -4.012 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.850 -1.891 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.480 -1.619 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.189 -1.454 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.347 -3.917 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.659 -3.563 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.614 -5.129 -0.619 1.00 0.00 H new ATOM 319 N ARG A 106 7.732 -5.955 1.161 1.00 0.00 N ATOM 320 CA ARG A 106 7.890 -7.387 1.009 1.00 0.00 C ATOM 321 C ARG A 106 6.514 -8.025 0.946 1.00 0.00 C ATOM 322 O ARG A 106 5.698 -7.825 1.832 1.00 0.00 O ATOM 323 CB ARG A 106 8.721 -7.967 2.153 1.00 0.00 C ATOM 324 CG ARG A 106 9.191 -9.390 1.901 1.00 0.00 C ATOM 325 CD ARG A 106 10.311 -9.780 2.850 1.00 0.00 C ATOM 326 NE ARG A 106 11.487 -8.926 2.677 1.00 0.00 N ATOM 327 CZ ARG A 106 12.163 -8.374 3.686 1.00 0.00 C ATOM 328 NH1 ARG A 106 11.814 -8.631 4.943 1.00 0.00 N ATOM 329 NH2 ARG A 106 13.193 -7.572 3.441 1.00 0.00 N ATOM 0 H ARG A 106 7.367 -5.653 2.064 1.00 0.00 H new ATOM 0 HA ARG A 106 8.427 -7.602 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.590 -7.330 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.130 -7.945 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.354 -10.078 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.535 -9.484 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.958 -9.709 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.588 -10.820 2.679 1.00 0.00 H new ATOM 0 HE ARG A 106 11.809 -8.742 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.028 -9.251 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.332 -8.208 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.469 -7.376 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.707 -7.152 4.215 1.00 0.00 H new ATOM 343 N LEU A 107 6.258 -8.788 -0.111 1.00 0.00 N ATOM 344 CA LEU A 107 4.923 -9.337 -0.359 1.00 0.00 C ATOM 345 C LEU A 107 4.461 -10.298 0.742 1.00 0.00 C ATOM 346 O LEU A 107 3.312 -10.737 0.747 1.00 0.00 O ATOM 347 CB LEU A 107 4.868 -10.012 -1.738 1.00 0.00 C ATOM 348 CG LEU A 107 6.066 -10.887 -2.126 1.00 0.00 C ATOM 349 CD1 LEU A 107 6.113 -12.170 -1.304 1.00 0.00 C ATOM 350 CD2 LEU A 107 6.010 -11.208 -3.611 1.00 0.00 C ATOM 0 H LEU A 107 6.955 -9.042 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 107 4.227 -8.498 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.970 -10.628 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.756 -9.234 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 107 6.978 -10.329 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.975 -12.765 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.197 -11.921 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.201 -12.743 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.863 -11.830 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.087 -11.743 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.040 -10.282 -4.185 1.00 0.00 H new ATOM 362 N THR A 108 5.353 -10.606 1.673 1.00 0.00 N ATOM 363 CA THR A 108 5.028 -11.470 2.795 1.00 0.00 C ATOM 364 C THR A 108 4.428 -10.662 3.953 1.00 0.00 C ATOM 365 O THR A 108 4.111 -11.214 5.008 1.00 0.00 O ATOM 366 CB THR A 108 6.286 -12.205 3.287 1.00 0.00 C ATOM 367 OG1 THR A 108 7.153 -12.472 2.176 1.00 0.00 O ATOM 368 CG2 THR A 108 5.926 -13.518 3.966 1.00 0.00 C ATOM 0 H THR A 108 6.315 -10.266 1.671 1.00 0.00 H new ATOM 0 HA THR A 108 4.292 -12.198 2.453 1.00 0.00 H new ATOM 0 HB THR A 108 6.790 -11.566 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.955 -12.939 2.492 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.836 -14.015 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.282 -13.320 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.402 -14.161 3.259 1.00 0.00 H new ATOM 376 N GLN A 109 4.286 -9.354 3.763 1.00 0.00 N ATOM 377 CA GLN A 109 3.691 -8.502 4.784 1.00 0.00 C ATOM 378 C GLN A 109 2.192 -8.367 4.542 1.00 0.00 C ATOM 379 O GLN A 109 1.708 -8.592 3.428 1.00 0.00 O ATOM 380 CB GLN A 109 4.346 -7.108 4.806 1.00 0.00 C ATOM 381 CG GLN A 109 4.004 -6.238 3.608 1.00 0.00 C ATOM 382 CD GLN A 109 3.993 -4.758 3.944 1.00 0.00 C ATOM 383 OE1 GLN A 109 2.955 -4.193 4.261 1.00 0.00 O ATOM 384 NE2 GLN A 109 5.154 -4.129 3.915 1.00 0.00 N ATOM 0 H GLN A 109 4.573 -8.864 2.916 1.00 0.00 H new ATOM 0 HA GLN A 109 3.863 -8.971 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.041 -6.590 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.428 -7.229 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.727 -6.421 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.026 -6.526 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.000 -4.632 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.205 -3.141 4.162 1.00 0.00 H new ATOM 393 N THR A 110 1.463 -8.006 5.583 1.00 0.00 N ATOM 394 CA THR A 110 0.034 -7.782 5.466 1.00 0.00 C ATOM 395 C THR A 110 -0.224 -6.338 5.053 1.00 0.00 C ATOM 396 O THR A 110 0.590 -5.457 5.329 1.00 0.00 O ATOM 397 CB THR A 110 -0.679 -8.067 6.800 1.00 0.00 C ATOM 398 OG1 THR A 110 -0.106 -9.227 7.413 1.00 0.00 O ATOM 399 CG2 THR A 110 -2.170 -8.295 6.598 1.00 0.00 C ATOM 0 H THR A 110 1.838 -7.862 6.520 1.00 0.00 H new ATOM 0 HA THR A 110 -0.360 -8.462 4.710 1.00 0.00 H new ATOM 0 HB THR A 110 -0.548 -7.196 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.560 -9.406 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.641 -8.493 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.617 -7.407 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.321 -9.149 5.937 1.00 0.00 H new ATOM 407 N VAL A 111 -1.358 -6.097 4.408 1.00 0.00 N ATOM 408 CA VAL A 111 -1.718 -4.755 3.942 1.00 0.00 C ATOM 409 C VAL A 111 -1.763 -3.765 5.112 1.00 0.00 C ATOM 410 O VAL A 111 -1.555 -2.563 4.937 1.00 0.00 O ATOM 411 CB VAL A 111 -3.085 -4.770 3.219 1.00 0.00 C ATOM 412 CG1 VAL A 111 -3.399 -3.417 2.600 1.00 0.00 C ATOM 413 CG2 VAL A 111 -3.116 -5.857 2.158 1.00 0.00 C ATOM 0 H VAL A 111 -2.050 -6.814 4.193 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.951 -4.434 3.237 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.852 -4.985 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.366 -3.461 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.429 -2.658 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.627 -3.161 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.086 -5.852 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.331 -5.672 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.954 -6.828 2.627 1.00 0.00 H new ATOM 423 N ALA A 112 -2.010 -4.290 6.308 1.00 0.00 N ATOM 424 CA ALA A 112 -2.049 -3.479 7.517 1.00 0.00 C ATOM 425 C ALA A 112 -0.706 -2.796 7.768 1.00 0.00 C ATOM 426 O ALA A 112 -0.654 -1.669 8.260 1.00 0.00 O ATOM 427 CB ALA A 112 -2.431 -4.342 8.710 1.00 0.00 C ATOM 0 H ALA A 112 -2.187 -5.282 6.465 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.801 -2.702 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.458 -3.728 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.414 -4.781 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.695 -5.136 8.835 1.00 0.00 H new ATOM 433 N HIS A 113 0.379 -3.476 7.414 1.00 0.00 N ATOM 434 CA HIS A 113 1.715 -2.933 7.616 1.00 0.00 C ATOM 435 C HIS A 113 1.974 -1.810 6.625 1.00 0.00 C ATOM 436 O HIS A 113 2.476 -0.753 6.997 1.00 0.00 O ATOM 437 CB HIS A 113 2.778 -4.023 7.470 1.00 0.00 C ATOM 438 CG HIS A 113 4.154 -3.575 7.857 1.00 0.00 C ATOM 439 ND1 HIS A 113 5.240 -3.653 7.015 1.00 0.00 N ATOM 440 CD2 HIS A 113 4.617 -3.053 9.017 1.00 0.00 C ATOM 441 CE1 HIS A 113 6.310 -3.197 7.638 1.00 0.00 C ATOM 442 NE2 HIS A 113 5.957 -2.825 8.853 1.00 0.00 N ATOM 0 H HIS A 113 0.359 -4.402 6.987 1.00 0.00 H new ATOM 0 HA HIS A 113 1.775 -2.536 8.630 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.497 -4.878 8.085 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.794 -4.367 6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 113 4.037 -2.854 9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.306 -3.138 7.223 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.581 -2.431 9.557 1.00 0.00 H new ATOM 451 N LEU A 114 1.645 -2.061 5.362 1.00 0.00 N ATOM 452 CA LEU A 114 1.704 -1.035 4.322 1.00 0.00 C ATOM 453 C LEU A 114 1.031 0.253 4.784 1.00 0.00 C ATOM 454 O LEU A 114 1.582 1.344 4.622 1.00 0.00 O ATOM 455 CB LEU A 114 1.030 -1.541 3.041 1.00 0.00 C ATOM 456 CG LEU A 114 0.987 -0.541 1.881 1.00 0.00 C ATOM 457 CD1 LEU A 114 2.390 -0.240 1.376 1.00 0.00 C ATOM 458 CD2 LEU A 114 0.112 -1.071 0.756 1.00 0.00 C ATOM 0 H LEU A 114 1.332 -2.973 5.030 1.00 0.00 H new ATOM 0 HA LEU A 114 2.753 -0.822 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.552 -2.438 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.009 -1.837 3.281 1.00 0.00 H new ATOM 0 HG LEU A 114 0.553 0.390 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.335 0.472 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.984 0.185 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.857 -1.161 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.092 -0.349 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.517 -2.016 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.901 -1.228 1.126 1.00 0.00 H new ATOM 470 N LYS A 115 -0.154 0.114 5.375 1.00 0.00 N ATOM 471 CA LYS A 115 -0.911 1.262 5.857 1.00 0.00 C ATOM 472 C LYS A 115 -0.124 2.014 6.929 1.00 0.00 C ATOM 473 O LYS A 115 -0.084 3.241 6.932 1.00 0.00 O ATOM 474 CB LYS A 115 -2.262 0.810 6.414 1.00 0.00 C ATOM 475 CG LYS A 115 -3.338 1.879 6.342 1.00 0.00 C ATOM 476 CD LYS A 115 -4.614 1.446 7.048 1.00 0.00 C ATOM 477 CE LYS A 115 -5.776 2.364 6.700 1.00 0.00 C ATOM 478 NZ LYS A 115 -6.939 2.157 7.605 1.00 0.00 N ATOM 0 H LYS A 115 -0.610 -0.785 5.531 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.084 1.936 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.597 -0.069 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.134 0.505 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.967 2.799 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.558 2.103 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.859 0.422 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.455 1.450 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.449 3.402 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.082 2.186 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.803 2.512 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.046 1.142 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.782 2.672 8.495 1.00 0.00 H new ATOM 492 N GLN A 116 0.511 1.266 7.824 1.00 0.00 N ATOM 493 CA GLN A 116 1.316 1.850 8.899 1.00 0.00 C ATOM 494 C GLN A 116 2.556 2.550 8.337 1.00 0.00 C ATOM 495 O GLN A 116 2.936 3.627 8.804 1.00 0.00 O ATOM 496 CB GLN A 116 1.698 0.753 9.910 1.00 0.00 C ATOM 497 CG GLN A 116 2.625 1.207 11.032 1.00 0.00 C ATOM 498 CD GLN A 116 4.093 1.121 10.655 1.00 0.00 C ATOM 499 OE1 GLN A 116 4.495 0.268 9.862 1.00 0.00 O ATOM 500 NE2 GLN A 116 4.903 2.004 11.221 1.00 0.00 N ATOM 0 H GLN A 116 0.485 0.246 7.829 1.00 0.00 H new ATOM 0 HA GLN A 116 0.727 2.608 9.415 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.785 0.353 10.352 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.177 -0.065 9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 116 2.384 2.235 11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 116 2.445 0.595 11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.530 2.694 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.900 1.993 11.005 1.00 0.00 H new ATOM 509 N GLN A 117 3.175 1.944 7.330 1.00 0.00 N ATOM 510 CA GLN A 117 4.323 2.549 6.657 1.00 0.00 C ATOM 511 C GLN A 117 3.940 3.918 6.110 1.00 0.00 C ATOM 512 O GLN A 117 4.662 4.905 6.285 1.00 0.00 O ATOM 513 CB GLN A 117 4.800 1.657 5.515 1.00 0.00 C ATOM 514 CG GLN A 117 5.160 0.240 5.942 1.00 0.00 C ATOM 515 CD GLN A 117 5.499 -0.665 4.771 1.00 0.00 C ATOM 516 OE1 GLN A 117 6.282 -1.603 4.904 1.00 0.00 O ATOM 517 NE2 GLN A 117 4.905 -0.408 3.616 1.00 0.00 N ATOM 0 H GLN A 117 2.902 1.033 6.960 1.00 0.00 H new ATOM 0 HA GLN A 117 5.131 2.660 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.020 1.609 4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.671 2.117 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.010 0.277 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 117 4.325 -0.190 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.260 0.378 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.092 -0.996 2.804 1.00 0.00 H new ATOM 526 N VAL A 118 2.784 3.967 5.458 1.00 0.00 N ATOM 527 CA VAL A 118 2.234 5.216 4.957 1.00 0.00 C ATOM 528 C VAL A 118 1.877 6.134 6.127 1.00 0.00 C ATOM 529 O VAL A 118 2.070 7.343 6.059 1.00 0.00 O ATOM 530 CB VAL A 118 0.982 4.963 4.083 1.00 0.00 C ATOM 531 CG1 VAL A 118 0.408 6.270 3.563 1.00 0.00 C ATOM 532 CG2 VAL A 118 1.315 4.031 2.926 1.00 0.00 C ATOM 0 H VAL A 118 2.208 3.148 5.264 1.00 0.00 H new ATOM 0 HA VAL A 118 2.990 5.697 4.337 1.00 0.00 H new ATOM 0 HB VAL A 118 0.227 4.485 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.471 6.064 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.125 6.903 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.158 6.782 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.422 3.866 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.092 4.482 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.670 3.078 3.317 1.00 0.00 H new ATOM 542 N SER A 119 1.395 5.539 7.215 1.00 0.00 N ATOM 543 CA SER A 119 1.065 6.284 8.429 1.00 0.00 C ATOM 544 C SER A 119 2.323 6.841 9.097 1.00 0.00 C ATOM 545 O SER A 119 2.237 7.602 10.064 1.00 0.00 O ATOM 546 CB SER A 119 0.305 5.386 9.410 1.00 0.00 C ATOM 547 OG SER A 119 -0.915 4.929 8.852 1.00 0.00 O ATOM 0 H SER A 119 1.223 4.536 7.281 1.00 0.00 H new ATOM 0 HA SER A 119 0.431 7.124 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.926 4.532 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.103 5.937 10.329 1.00 0.00 H new ATOM 0 HG SER A 119 -0.727 4.360 8.077 1.00 0.00 H new ATOM 553 N GLY A 120 3.488 6.440 8.601 1.00 0.00 N ATOM 554 CA GLY A 120 4.735 7.006 9.075 1.00 0.00 C ATOM 555 C GLY A 120 5.270 8.095 8.157 1.00 0.00 C ATOM 556 O GLY A 120 5.391 9.253 8.559 1.00 0.00 O ATOM 0 H GLY A 120 3.590 5.730 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.586 7.418 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.478 6.214 9.165 1.00 0.00 H new ATOM 560 N LEU A 121 5.572 7.724 6.916 1.00 0.00 N ATOM 561 CA LEU A 121 6.184 8.644 5.951 1.00 0.00 C ATOM 562 C LEU A 121 5.190 9.709 5.491 1.00 0.00 C ATOM 563 O LEU A 121 5.522 10.885 5.365 1.00 0.00 O ATOM 564 CB LEU A 121 6.689 7.855 4.739 1.00 0.00 C ATOM 565 CG LEU A 121 7.737 6.783 5.045 1.00 0.00 C ATOM 566 CD1 LEU A 121 8.138 6.052 3.773 1.00 0.00 C ATOM 567 CD2 LEU A 121 8.955 7.406 5.708 1.00 0.00 C ATOM 0 H LEU A 121 5.403 6.787 6.549 1.00 0.00 H new ATOM 0 HA LEU A 121 7.018 9.147 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.836 7.378 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 121 7.111 8.557 4.020 1.00 0.00 H new ATOM 0 HG LEU A 121 7.301 6.060 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.884 5.293 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.261 5.575 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.557 6.763 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.691 6.630 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.392 8.149 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.656 7.886 6.640 1.00 0.00 H new ATOM 579 N GLU A 122 3.972 9.266 5.259 1.00 0.00 N ATOM 580 CA GLU A 122 2.885 10.102 4.771 1.00 0.00 C ATOM 581 C GLU A 122 1.985 10.503 5.927 1.00 0.00 C ATOM 582 O GLU A 122 0.931 11.075 5.699 1.00 0.00 O ATOM 583 CB GLU A 122 2.086 9.366 3.697 1.00 0.00 C ATOM 584 CG GLU A 122 2.883 9.080 2.434 1.00 0.00 C ATOM 585 CD GLU A 122 3.073 10.308 1.567 1.00 0.00 C ATOM 586 OE1 GLU A 122 3.618 11.319 2.056 1.00 0.00 O ATOM 587 OE2 GLU A 122 2.666 10.273 0.388 1.00 0.00 O ATOM 0 H GLU A 122 3.700 8.294 5.406 1.00 0.00 H new ATOM 0 HA GLU A 122 3.304 11.003 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.722 8.424 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.210 9.960 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.859 8.681 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.374 8.308 1.856 1.00 0.00 H new ATOM 594 N GLY A 123 2.499 10.215 7.143 1.00 0.00 N ATOM 595 CA GLY A 123 1.787 10.036 8.437 1.00 0.00 C ATOM 596 C GLY A 123 0.452 10.733 8.744 1.00 0.00 C ATOM 597 O GLY A 123 0.008 10.679 9.894 1.00 0.00 O ATOM 0 H GLY A 123 3.505 10.091 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.615 8.966 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.483 10.335 9.221 1.00 0.00 H new ATOM 601 N VAL A 124 -0.169 11.401 7.802 1.00 0.00 N ATOM 602 CA VAL A 124 -1.556 11.817 7.950 1.00 0.00 C ATOM 603 C VAL A 124 -2.392 10.596 8.350 1.00 0.00 C ATOM 604 O VAL A 124 -2.129 9.490 7.873 1.00 0.00 O ATOM 605 CB VAL A 124 -2.097 12.412 6.629 1.00 0.00 C ATOM 606 CG1 VAL A 124 -3.513 12.936 6.800 1.00 0.00 C ATOM 607 CG2 VAL A 124 -1.178 13.512 6.122 1.00 0.00 C ATOM 0 H VAL A 124 0.261 11.673 6.918 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.620 12.588 8.718 1.00 0.00 H new ATOM 0 HB VAL A 124 -2.123 11.613 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -3.865 13.348 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.168 12.121 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.523 13.716 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.575 13.918 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.115 14.305 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -0.184 13.102 5.943 1.00 0.00 H new ATOM 617 N GLN A 125 -3.368 10.799 9.238 1.00 0.00 N ATOM 618 CA GLN A 125 -4.158 9.703 9.815 1.00 0.00 C ATOM 619 C GLN A 125 -4.624 8.696 8.760 1.00 0.00 C ATOM 620 O GLN A 125 -5.077 9.073 7.680 1.00 0.00 O ATOM 621 CB GLN A 125 -5.362 10.265 10.576 1.00 0.00 C ATOM 622 CG GLN A 125 -4.967 11.143 11.753 1.00 0.00 C ATOM 623 CD GLN A 125 -4.209 10.377 12.824 1.00 0.00 C ATOM 624 OE1 GLN A 125 -4.463 9.193 13.058 1.00 0.00 O ATOM 625 NE2 GLN A 125 -3.261 11.037 13.471 1.00 0.00 N ATOM 0 H GLN A 125 -3.634 11.723 9.578 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.506 9.166 10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.980 10.844 9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -5.974 9.439 10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.350 11.967 11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.863 11.582 12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -3.080 12.016 13.250 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -2.712 10.566 14.190 1.00 0.00 H new ATOM 634 N ASP A 126 -4.534 7.412 9.108 1.00 0.00 N ATOM 635 CA ASP A 126 -4.775 6.323 8.162 1.00 0.00 C ATOM 636 C ASP A 126 -6.213 6.306 7.650 1.00 0.00 C ATOM 637 O ASP A 126 -6.488 5.760 6.584 1.00 0.00 O ATOM 638 CB ASP A 126 -4.435 4.966 8.790 1.00 0.00 C ATOM 639 CG ASP A 126 -5.408 4.548 9.875 1.00 0.00 C ATOM 640 OD1 ASP A 126 -5.195 4.922 11.049 1.00 0.00 O ATOM 641 OD2 ASP A 126 -6.384 3.837 9.560 1.00 0.00 O ATOM 0 H ASP A 126 -4.293 7.099 10.048 1.00 0.00 H new ATOM 0 HA ASP A 126 -4.119 6.502 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.422 4.205 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.430 5.009 9.210 1.00 0.00 H new ATOM 646 N ASP A 127 -7.128 6.894 8.407 1.00 0.00 N ATOM 647 CA ASP A 127 -8.523 6.969 7.991 1.00 0.00 C ATOM 648 C ASP A 127 -8.698 7.997 6.877 1.00 0.00 C ATOM 649 O ASP A 127 -9.643 7.930 6.085 1.00 0.00 O ATOM 650 CB ASP A 127 -9.413 7.327 9.185 1.00 0.00 C ATOM 651 CG ASP A 127 -10.882 7.393 8.819 1.00 0.00 C ATOM 652 OD1 ASP A 127 -11.510 6.322 8.677 1.00 0.00 O ATOM 653 OD2 ASP A 127 -11.420 8.514 8.677 1.00 0.00 O ATOM 0 H ASP A 127 -6.932 7.325 9.310 1.00 0.00 H new ATOM 0 HA ASP A 127 -8.821 5.993 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -9.272 6.587 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -9.100 8.289 9.591 1.00 0.00 H new ATOM 658 N LEU A 128 -7.749 8.921 6.794 1.00 0.00 N ATOM 659 CA LEU A 128 -7.842 10.033 5.864 1.00 0.00 C ATOM 660 C LEU A 128 -7.367 9.646 4.468 1.00 0.00 C ATOM 661 O LEU A 128 -7.667 10.339 3.498 1.00 0.00 O ATOM 662 CB LEU A 128 -7.052 11.234 6.387 1.00 0.00 C ATOM 663 CG LEU A 128 -7.622 11.866 7.659 1.00 0.00 C ATOM 664 CD1 LEU A 128 -6.726 12.989 8.148 1.00 0.00 C ATOM 665 CD2 LEU A 128 -9.028 12.382 7.400 1.00 0.00 C ATOM 0 H LEU A 128 -6.903 8.919 7.364 1.00 0.00 H new ATOM 0 HA LEU A 128 -8.894 10.309 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.026 10.921 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.011 11.994 5.606 1.00 0.00 H new ATOM 0 HG LEU A 128 -7.665 11.103 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.150 13.425 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.734 12.594 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.650 13.756 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.425 12.830 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.001 13.132 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.668 11.555 7.094 1.00 0.00 H new ATOM 677 N PHE A 129 -6.634 8.548 4.348 1.00 0.00 N ATOM 678 CA PHE A 129 -6.250 8.083 3.027 1.00 0.00 C ATOM 679 C PHE A 129 -6.934 6.765 2.679 1.00 0.00 C ATOM 680 O PHE A 129 -6.866 5.784 3.413 1.00 0.00 O ATOM 681 CB PHE A 129 -4.720 7.998 2.847 1.00 0.00 C ATOM 682 CG PHE A 129 -3.974 7.153 3.845 1.00 0.00 C ATOM 683 CD1 PHE A 129 -3.876 5.779 3.683 1.00 0.00 C ATOM 684 CD2 PHE A 129 -3.337 7.741 4.925 1.00 0.00 C ATOM 685 CE1 PHE A 129 -3.165 5.011 4.582 1.00 0.00 C ATOM 686 CE2 PHE A 129 -2.628 6.977 5.829 1.00 0.00 C ATOM 687 CZ PHE A 129 -2.540 5.609 5.656 1.00 0.00 C ATOM 0 H PHE A 129 -6.302 7.978 5.126 1.00 0.00 H new ATOM 0 HA PHE A 129 -6.600 8.834 2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -4.515 7.610 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.315 9.009 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.362 5.305 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -3.396 8.811 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.098 3.942 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -2.142 7.448 6.671 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.983 5.009 6.360 1.00 0.00 H new ATOM 697 N TRP A 130 -7.629 6.788 1.557 1.00 0.00 N ATOM 698 CA TRP A 130 -8.314 5.627 1.025 1.00 0.00 C ATOM 699 C TRP A 130 -7.631 5.208 -0.267 1.00 0.00 C ATOM 700 O TRP A 130 -7.914 5.731 -1.339 1.00 0.00 O ATOM 701 CB TRP A 130 -9.794 5.960 0.785 1.00 0.00 C ATOM 702 CG TRP A 130 -10.567 4.901 0.054 1.00 0.00 C ATOM 703 CD1 TRP A 130 -10.927 3.673 0.523 1.00 0.00 C ATOM 704 CD2 TRP A 130 -11.096 4.991 -1.275 1.00 0.00 C ATOM 705 NE1 TRP A 130 -11.642 2.992 -0.434 1.00 0.00 N ATOM 706 CE2 TRP A 130 -11.755 3.779 -1.549 1.00 0.00 C ATOM 707 CE3 TRP A 130 -11.067 5.979 -2.261 1.00 0.00 C ATOM 708 CZ2 TRP A 130 -12.387 3.534 -2.767 1.00 0.00 C ATOM 709 CZ3 TRP A 130 -11.692 5.737 -3.468 1.00 0.00 C ATOM 710 CH2 TRP A 130 -12.342 4.520 -3.713 1.00 0.00 C ATOM 0 H TRP A 130 -7.734 7.625 0.983 1.00 0.00 H new ATOM 0 HA TRP A 130 -8.268 4.802 1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -10.272 6.140 1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -9.856 6.890 0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -10.686 3.290 1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -12.026 2.053 -0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -10.564 6.918 -2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -12.894 2.599 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -11.680 6.497 -4.235 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -12.817 4.358 -4.669 1.00 0.00 H new ATOM 721 N LEU A 131 -6.685 4.306 -0.161 1.00 0.00 N ATOM 722 CA LEU A 131 -5.950 3.880 -1.331 1.00 0.00 C ATOM 723 C LEU A 131 -6.541 2.591 -1.875 1.00 0.00 C ATOM 724 O LEU A 131 -7.005 1.744 -1.117 1.00 0.00 O ATOM 725 CB LEU A 131 -4.450 3.705 -1.030 1.00 0.00 C ATOM 726 CG LEU A 131 -4.047 2.533 -0.113 1.00 0.00 C ATOM 727 CD1 LEU A 131 -2.543 2.312 -0.181 1.00 0.00 C ATOM 728 CD2 LEU A 131 -4.461 2.777 1.333 1.00 0.00 C ATOM 0 H LEU A 131 -6.407 3.856 0.711 1.00 0.00 H new ATOM 0 HA LEU A 131 -6.040 4.660 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.927 3.587 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.086 4.628 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.569 1.644 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -2.267 1.482 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.255 2.080 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.027 3.215 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -4.159 1.928 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.978 3.682 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -5.543 2.896 1.386 1.00 0.00 H new ATOM 740 N THR A 132 -6.546 2.456 -3.189 1.00 0.00 N ATOM 741 CA THR A 132 -7.116 1.282 -3.822 1.00 0.00 C ATOM 742 C THR A 132 -6.344 0.898 -5.079 1.00 0.00 C ATOM 743 O THR A 132 -5.752 1.746 -5.750 1.00 0.00 O ATOM 744 CB THR A 132 -8.616 1.485 -4.151 1.00 0.00 C ATOM 745 OG1 THR A 132 -9.015 0.657 -5.250 1.00 0.00 O ATOM 746 CG2 THR A 132 -8.932 2.939 -4.466 1.00 0.00 C ATOM 0 H THR A 132 -6.162 3.144 -3.837 1.00 0.00 H new ATOM 0 HA THR A 132 -7.034 0.463 -3.108 1.00 0.00 H new ATOM 0 HB THR A 132 -9.178 1.197 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 132 -9.839 1.012 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 132 -9.994 3.040 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.683 3.560 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.346 3.260 -5.327 1.00 0.00 H new ATOM 754 N PHE A 133 -6.347 -0.394 -5.371 1.00 0.00 N ATOM 755 CA PHE A 133 -5.639 -0.932 -6.522 1.00 0.00 C ATOM 756 C PHE A 133 -6.619 -1.470 -7.562 1.00 0.00 C ATOM 757 O PHE A 133 -6.632 -1.030 -8.711 1.00 0.00 O ATOM 758 CB PHE A 133 -4.662 -2.033 -6.070 1.00 0.00 C ATOM 759 CG PHE A 133 -4.367 -3.060 -7.129 1.00 0.00 C ATOM 760 CD1 PHE A 133 -3.577 -2.751 -8.224 1.00 0.00 C ATOM 761 CD2 PHE A 133 -4.901 -4.336 -7.030 1.00 0.00 C ATOM 762 CE1 PHE A 133 -3.328 -3.693 -9.203 1.00 0.00 C ATOM 763 CE2 PHE A 133 -4.653 -5.283 -8.004 1.00 0.00 C ATOM 764 CZ PHE A 133 -3.869 -4.961 -9.092 1.00 0.00 C ATOM 0 H PHE A 133 -6.839 -1.097 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 133 -5.069 -0.128 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -3.727 -1.569 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.076 -2.536 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -3.151 -1.763 -8.313 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -5.518 -4.592 -6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.712 -3.440 -10.053 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -5.072 -6.274 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.678 -5.699 -9.857 1.00 0.00 H new ATOM 774 N GLU A 134 -7.438 -2.424 -7.147 1.00 0.00 N ATOM 775 CA GLU A 134 -8.364 -3.096 -8.053 1.00 0.00 C ATOM 776 C GLU A 134 -9.704 -2.364 -8.088 1.00 0.00 C ATOM 777 O GLU A 134 -10.469 -2.479 -9.042 1.00 0.00 O ATOM 778 CB GLU A 134 -8.555 -4.553 -7.599 1.00 0.00 C ATOM 779 CG GLU A 134 -9.429 -5.394 -8.519 1.00 0.00 C ATOM 780 CD GLU A 134 -10.799 -5.679 -7.926 1.00 0.00 C ATOM 781 OE1 GLU A 134 -10.938 -6.683 -7.196 1.00 0.00 O ATOM 782 OE2 GLU A 134 -11.744 -4.908 -8.185 1.00 0.00 O ATOM 0 H GLU A 134 -7.482 -2.754 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 134 -7.950 -3.087 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -7.576 -5.026 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -8.994 -4.554 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -9.550 -4.877 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -8.925 -6.337 -8.730 1.00 0.00 H new ATOM 789 N GLY A 135 -9.948 -1.574 -7.056 1.00 0.00 N ATOM 790 CA GLY A 135 -11.244 -0.958 -6.868 1.00 0.00 C ATOM 791 C GLY A 135 -11.651 -1.051 -5.417 1.00 0.00 C ATOM 792 O GLY A 135 -12.501 -0.306 -4.934 1.00 0.00 O ATOM 0 H GLY A 135 -9.262 -1.346 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -11.209 0.086 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.986 -1.452 -7.495 1.00 0.00 H new ATOM 796 N LYS A 136 -11.008 -1.980 -4.729 1.00 0.00 N ATOM 797 CA LYS A 136 -11.172 -2.148 -3.296 1.00 0.00 C ATOM 798 C LYS A 136 -9.974 -1.539 -2.580 1.00 0.00 C ATOM 799 O LYS A 136 -8.866 -1.542 -3.123 1.00 0.00 O ATOM 800 CB LYS A 136 -11.275 -3.632 -2.941 1.00 0.00 C ATOM 801 CG LYS A 136 -12.428 -4.356 -3.611 1.00 0.00 C ATOM 802 CD LYS A 136 -12.380 -5.845 -3.310 1.00 0.00 C ATOM 803 CE LYS A 136 -13.522 -6.594 -3.973 1.00 0.00 C ATOM 804 NZ LYS A 136 -13.386 -8.068 -3.803 1.00 0.00 N ATOM 0 H LYS A 136 -10.355 -2.641 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 136 -12.088 -1.647 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.343 -4.125 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.380 -3.729 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -13.374 -3.941 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -12.386 -4.197 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.430 -6.254 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.422 -5.999 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -14.470 -6.264 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -13.549 -6.351 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.184 -8.546 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.493 -8.386 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.386 -8.302 -2.790 1.00 0.00 H new ATOM 818 N PRO A 137 -10.168 -1.025 -1.356 1.00 0.00 N ATOM 819 CA PRO A 137 -9.084 -0.429 -0.565 1.00 0.00 C ATOM 820 C PRO A 137 -8.114 -1.477 -0.030 1.00 0.00 C ATOM 821 O PRO A 137 -7.152 -1.142 0.661 1.00 0.00 O ATOM 822 CB PRO A 137 -9.820 0.251 0.589 1.00 0.00 C ATOM 823 CG PRO A 137 -11.079 -0.528 0.740 1.00 0.00 C ATOM 824 CD PRO A 137 -11.460 -0.973 -0.645 1.00 0.00 C ATOM 0 HA PRO A 137 -8.472 0.250 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -9.228 0.230 1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -10.026 1.298 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -10.931 -1.384 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -11.865 0.083 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -11.951 -1.946 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -12.150 -0.273 -1.116 1.00 0.00 H new ATOM 832 N LEU A 138 -8.390 -2.743 -0.362 1.00 0.00 N ATOM 833 CA LEU A 138 -7.579 -3.882 0.067 1.00 0.00 C ATOM 834 C LEU A 138 -7.741 -4.103 1.567 1.00 0.00 C ATOM 835 O LEU A 138 -7.377 -3.248 2.373 1.00 0.00 O ATOM 836 CB LEU A 138 -6.102 -3.671 -0.287 1.00 0.00 C ATOM 837 CG LEU A 138 -5.829 -3.286 -1.743 1.00 0.00 C ATOM 838 CD1 LEU A 138 -4.348 -3.021 -1.958 1.00 0.00 C ATOM 839 CD2 LEU A 138 -6.319 -4.371 -2.688 1.00 0.00 C ATOM 0 H LEU A 138 -9.188 -3.005 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.927 -4.769 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.698 -2.892 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.557 -4.587 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.378 -2.370 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.174 -2.749 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -4.027 -2.205 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.779 -3.919 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.115 -4.076 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.802 -5.305 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.392 -4.511 -2.557 1.00 0.00 H new ATOM 851 N GLU A 139 -8.300 -5.242 1.953 1.00 0.00 N ATOM 852 CA GLU A 139 -8.542 -5.495 3.359 1.00 0.00 C ATOM 853 C GLU A 139 -7.218 -5.758 4.062 1.00 0.00 C ATOM 854 O GLU A 139 -6.352 -6.464 3.540 1.00 0.00 O ATOM 855 CB GLU A 139 -9.501 -6.672 3.560 1.00 0.00 C ATOM 856 CG GLU A 139 -10.810 -6.545 2.792 1.00 0.00 C ATOM 857 CD GLU A 139 -11.570 -5.280 3.137 1.00 0.00 C ATOM 858 OE1 GLU A 139 -11.317 -4.242 2.497 1.00 0.00 O ATOM 859 OE2 GLU A 139 -12.422 -5.317 4.048 1.00 0.00 O ATOM 0 H GLU A 139 -8.588 -5.990 1.323 1.00 0.00 H new ATOM 0 HA GLU A 139 -9.014 -4.614 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.001 -7.591 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.723 -6.768 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.602 -6.558 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.437 -7.411 3.005 1.00 0.00 H new ATOM 866 N ASP A 140 -7.062 -5.194 5.242 1.00 0.00 N ATOM 867 CA ASP A 140 -5.816 -5.297 5.992 1.00 0.00 C ATOM 868 C ASP A 140 -5.682 -6.663 6.666 1.00 0.00 C ATOM 869 O ASP A 140 -5.078 -6.786 7.729 1.00 0.00 O ATOM 870 CB ASP A 140 -5.744 -4.173 7.031 1.00 0.00 C ATOM 871 CG ASP A 140 -6.966 -4.123 7.924 1.00 0.00 C ATOM 872 OD1 ASP A 140 -8.010 -3.599 7.477 1.00 0.00 O ATOM 873 OD2 ASP A 140 -6.900 -4.615 9.068 1.00 0.00 O ATOM 0 H ASP A 140 -7.788 -4.653 5.711 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.985 -5.194 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.855 -4.309 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -5.634 -3.217 6.519 1.00 0.00 H new ATOM 878 N GLN A 141 -6.206 -7.695 6.013 1.00 0.00 N ATOM 879 CA GLN A 141 -6.169 -9.042 6.554 1.00 0.00 C ATOM 880 C GLN A 141 -5.382 -9.952 5.619 1.00 0.00 C ATOM 881 O GLN A 141 -4.862 -10.989 6.027 1.00 0.00 O ATOM 882 CB GLN A 141 -7.595 -9.575 6.730 1.00 0.00 C ATOM 883 CG GLN A 141 -7.658 -10.991 7.274 1.00 0.00 C ATOM 884 CD GLN A 141 -9.066 -11.541 7.311 1.00 0.00 C ATOM 885 OE1 GLN A 141 -9.777 -11.390 8.303 1.00 0.00 O ATOM 886 NE2 GLN A 141 -9.477 -12.190 6.232 1.00 0.00 N ATOM 0 H GLN A 141 -6.663 -7.620 5.104 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.678 -9.023 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.140 -8.913 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -8.106 -9.542 5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -7.035 -11.640 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -7.239 -11.008 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -8.855 -12.292 5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.416 -12.587 6.203 1.00 0.00 H new ATOM 895 N LEU A 142 -5.284 -9.540 4.365 1.00 0.00 N ATOM 896 CA LEU A 142 -4.689 -10.375 3.337 1.00 0.00 C ATOM 897 C LEU A 142 -3.224 -10.013 3.147 1.00 0.00 C ATOM 898 O LEU A 142 -2.816 -8.886 3.439 1.00 0.00 O ATOM 899 CB LEU A 142 -5.423 -10.211 1.997 1.00 0.00 C ATOM 900 CG LEU A 142 -6.955 -10.312 2.026 1.00 0.00 C ATOM 901 CD1 LEU A 142 -7.436 -11.423 2.937 1.00 0.00 C ATOM 902 CD2 LEU A 142 -7.582 -8.994 2.415 1.00 0.00 C ATOM 0 H LEU A 142 -5.610 -8.631 4.036 1.00 0.00 H new ATOM 0 HA LEU A 142 -4.774 -11.412 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.155 -9.240 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -5.046 -10.968 1.309 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.275 -10.559 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -8.525 -11.457 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.040 -12.377 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -7.089 -11.236 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.667 -9.097 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.234 -8.704 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -7.298 -8.229 1.693 1.00 0.00 H new ATOM 914 N PRO A 143 -2.410 -10.967 2.675 1.00 0.00 N ATOM 915 CA PRO A 143 -1.022 -10.701 2.311 1.00 0.00 C ATOM 916 C PRO A 143 -0.941 -9.725 1.142 1.00 0.00 C ATOM 917 O PRO A 143 -1.693 -9.843 0.172 1.00 0.00 O ATOM 918 CB PRO A 143 -0.475 -12.073 1.897 1.00 0.00 C ATOM 919 CG PRO A 143 -1.438 -13.066 2.456 1.00 0.00 C ATOM 920 CD PRO A 143 -2.771 -12.378 2.473 1.00 0.00 C ATOM 0 HA PRO A 143 -0.460 -10.248 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -0.407 -12.158 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.528 -12.232 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -1.471 -13.967 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -1.144 -13.374 3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -3.314 -12.526 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -3.408 -12.751 3.275 1.00 0.00 H new ATOM 928 N LEU A 144 -0.032 -8.767 1.237 1.00 0.00 N ATOM 929 CA LEU A 144 0.101 -7.727 0.220 1.00 0.00 C ATOM 930 C LEU A 144 0.440 -8.350 -1.132 1.00 0.00 C ATOM 931 O LEU A 144 0.011 -7.860 -2.179 1.00 0.00 O ATOM 932 CB LEU A 144 1.180 -6.721 0.653 1.00 0.00 C ATOM 933 CG LEU A 144 1.203 -5.374 -0.088 1.00 0.00 C ATOM 934 CD1 LEU A 144 1.911 -4.328 0.758 1.00 0.00 C ATOM 935 CD2 LEU A 144 1.904 -5.501 -1.433 1.00 0.00 C ATOM 0 H LEU A 144 0.628 -8.685 2.010 1.00 0.00 H new ATOM 0 HA LEU A 144 -0.846 -7.197 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 144 1.053 -6.522 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 144 2.155 -7.193 0.531 1.00 0.00 H new ATOM 0 HG LEU A 144 0.172 -5.067 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.923 -3.377 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.384 -4.208 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.935 -4.648 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.906 -4.534 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.931 -5.831 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 144 1.378 -6.229 -2.050 1.00 0.00 H new ATOM 947 N GLY A 145 1.178 -9.455 -1.098 1.00 0.00 N ATOM 948 CA GLY A 145 1.599 -10.119 -2.317 1.00 0.00 C ATOM 949 C GLY A 145 0.442 -10.588 -3.175 1.00 0.00 C ATOM 950 O GLY A 145 0.572 -10.665 -4.391 1.00 0.00 O ATOM 0 H GLY A 145 1.494 -9.905 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 145 2.220 -9.437 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 145 2.222 -10.976 -2.059 1.00 0.00 H new ATOM 954 N GLU A 146 -0.691 -10.885 -2.548 1.00 0.00 N ATOM 955 CA GLU A 146 -1.855 -11.380 -3.277 1.00 0.00 C ATOM 956 C GLU A 146 -2.340 -10.346 -4.292 1.00 0.00 C ATOM 957 O GLU A 146 -2.763 -10.692 -5.395 1.00 0.00 O ATOM 958 CB GLU A 146 -2.983 -11.738 -2.303 1.00 0.00 C ATOM 959 CG GLU A 146 -4.202 -12.346 -2.983 1.00 0.00 C ATOM 960 CD GLU A 146 -5.312 -12.690 -2.012 1.00 0.00 C ATOM 961 OE1 GLU A 146 -5.152 -13.657 -1.237 1.00 0.00 O ATOM 962 OE2 GLU A 146 -6.365 -12.019 -2.040 1.00 0.00 O ATOM 0 H GLU A 146 -0.829 -10.793 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 146 -1.561 -12.279 -3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -2.603 -12.440 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -3.287 -10.840 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -4.582 -11.647 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -3.901 -13.248 -3.517 1.00 0.00 H new ATOM 969 N TYR A 147 -2.267 -9.079 -3.915 1.00 0.00 N ATOM 970 CA TYR A 147 -2.735 -8.002 -4.776 1.00 0.00 C ATOM 971 C TYR A 147 -1.580 -7.310 -5.495 1.00 0.00 C ATOM 972 O TYR A 147 -1.730 -6.852 -6.626 1.00 0.00 O ATOM 973 CB TYR A 147 -3.520 -6.977 -3.957 1.00 0.00 C ATOM 974 CG TYR A 147 -4.717 -7.564 -3.245 1.00 0.00 C ATOM 975 CD1 TYR A 147 -5.872 -7.885 -3.940 1.00 0.00 C ATOM 976 CD2 TYR A 147 -4.688 -7.796 -1.877 1.00 0.00 C ATOM 977 CE1 TYR A 147 -6.965 -8.423 -3.294 1.00 0.00 C ATOM 978 CE2 TYR A 147 -5.778 -8.336 -1.221 1.00 0.00 C ATOM 979 CZ TYR A 147 -6.915 -8.646 -1.936 1.00 0.00 C ATOM 980 OH TYR A 147 -8.006 -9.187 -1.293 1.00 0.00 O ATOM 0 H TYR A 147 -1.889 -8.771 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 147 -3.385 -8.444 -5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -2.855 -6.525 -3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -3.856 -6.177 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -5.917 -7.711 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -3.799 -7.550 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -7.857 -8.669 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -5.739 -8.514 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 147 -7.927 -10.164 -1.280 1.00 0.00 H new ATOM 990 N GLY A 148 -0.429 -7.243 -4.836 1.00 0.00 N ATOM 991 CA GLY A 148 0.682 -6.468 -5.364 1.00 0.00 C ATOM 992 C GLY A 148 1.720 -7.304 -6.089 1.00 0.00 C ATOM 993 O GLY A 148 2.756 -6.777 -6.482 1.00 0.00 O ATOM 0 H GLY A 148 -0.244 -7.709 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.294 -5.713 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 148 1.165 -5.937 -4.544 1.00 0.00 H new ATOM 997 N LEU A 149 1.439 -8.600 -6.260 1.00 0.00 N ATOM 998 CA LEU A 149 2.359 -9.548 -6.914 1.00 0.00 C ATOM 999 C LEU A 149 2.975 -8.995 -8.204 1.00 0.00 C ATOM 1000 O LEU A 149 4.088 -9.367 -8.574 1.00 0.00 O ATOM 1001 CB LEU A 149 1.644 -10.877 -7.224 1.00 0.00 C ATOM 1002 CG LEU A 149 0.609 -10.850 -8.362 1.00 0.00 C ATOM 1003 CD1 LEU A 149 0.154 -12.263 -8.684 1.00 0.00 C ATOM 1004 CD2 LEU A 149 -0.591 -9.984 -8.003 1.00 0.00 C ATOM 0 H LEU A 149 0.566 -9.026 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 149 3.170 -9.715 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.401 -11.623 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 149 1.144 -11.216 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 149 1.086 -10.414 -9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.579 -12.234 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.012 -12.860 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.298 -12.710 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.302 -9.987 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.072 -10.381 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.259 -8.963 -7.814 1.00 0.00 H new ATOM 1016 N LYS A 150 2.246 -8.127 -8.892 1.00 0.00 N ATOM 1017 CA LYS A 150 2.752 -7.509 -10.106 1.00 0.00 C ATOM 1018 C LYS A 150 3.692 -6.359 -9.751 1.00 0.00 C ATOM 1019 O LYS A 150 3.286 -5.411 -9.083 1.00 0.00 O ATOM 1020 CB LYS A 150 1.593 -6.987 -10.962 1.00 0.00 C ATOM 1021 CG LYS A 150 2.007 -6.560 -12.363 1.00 0.00 C ATOM 1022 CD LYS A 150 0.835 -5.966 -13.131 1.00 0.00 C ATOM 1023 CE LYS A 150 1.171 -5.763 -14.602 1.00 0.00 C ATOM 1024 NZ LYS A 150 1.456 -7.052 -15.284 1.00 0.00 N ATOM 0 H LYS A 150 1.304 -7.836 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 150 3.300 -8.258 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 150 0.832 -7.764 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.133 -6.139 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 150 2.811 -5.827 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.401 -7.419 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -0.029 -6.624 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.555 -5.011 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 150 0.339 -5.264 -15.100 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.036 -5.106 -14.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 0.884 -7.120 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 2.465 -7.099 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 1.218 -7.841 -14.649 1.00 0.00 H new ATOM 1038 N PRO A 151 4.955 -6.421 -10.203 1.00 0.00 N ATOM 1039 CA PRO A 151 5.956 -5.368 -9.944 1.00 0.00 C ATOM 1040 C PRO A 151 5.626 -4.049 -10.650 1.00 0.00 C ATOM 1041 O PRO A 151 6.462 -3.151 -10.744 1.00 0.00 O ATOM 1042 CB PRO A 151 7.262 -5.960 -10.500 1.00 0.00 C ATOM 1043 CG PRO A 151 6.991 -7.418 -10.668 1.00 0.00 C ATOM 1044 CD PRO A 151 5.527 -7.532 -10.970 1.00 0.00 C ATOM 0 HA PRO A 151 6.003 -5.116 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 151 7.531 -5.498 -11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 151 8.094 -5.790 -9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 151 7.590 -7.836 -11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 151 7.247 -7.970 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 151 5.324 -7.435 -12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 151 5.122 -8.493 -10.655 1.00 0.00 H new ATOM 1052 N LEU A 152 4.404 -3.947 -11.152 1.00 0.00 N ATOM 1053 CA LEU A 152 3.930 -2.736 -11.799 1.00 0.00 C ATOM 1054 C LEU A 152 2.503 -2.445 -11.347 1.00 0.00 C ATOM 1055 O LEU A 152 1.758 -1.716 -12.003 1.00 0.00 O ATOM 1056 CB LEU A 152 3.993 -2.890 -13.323 1.00 0.00 C ATOM 1057 CG LEU A 152 3.780 -1.603 -14.128 1.00 0.00 C ATOM 1058 CD1 LEU A 152 4.869 -0.588 -13.812 1.00 0.00 C ATOM 1059 CD2 LEU A 152 3.748 -1.908 -15.616 1.00 0.00 C ATOM 0 H LEU A 152 3.716 -4.700 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 152 4.569 -1.900 -11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 152 4.965 -3.307 -13.588 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.240 -3.617 -13.628 1.00 0.00 H new ATOM 0 HG LEU A 152 2.820 -1.173 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.701 0.319 -14.393 1.00 0.00 H new ATOM 0 HD12 LEU A 152 4.845 -0.348 -12.749 1.00 0.00 H new ATOM 0 HD13 LEU A 152 5.842 -1.007 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.596 -0.984 -16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.693 -2.361 -15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 152 2.932 -2.598 -15.828 1.00 0.00 H new ATOM 1071 N SER A 153 2.129 -3.025 -10.215 1.00 0.00 N ATOM 1072 CA SER A 153 0.803 -2.827 -9.659 1.00 0.00 C ATOM 1073 C SER A 153 0.636 -1.379 -9.199 1.00 0.00 C ATOM 1074 O SER A 153 1.380 -0.893 -8.344 1.00 0.00 O ATOM 1075 CB SER A 153 0.570 -3.816 -8.510 1.00 0.00 C ATOM 1076 OG SER A 153 1.645 -3.790 -7.586 1.00 0.00 O ATOM 0 H SER A 153 2.730 -3.638 -9.664 1.00 0.00 H new ATOM 0 HA SER A 153 0.053 -3.018 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 153 -0.360 -3.570 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 153 0.456 -4.823 -8.911 1.00 0.00 H new ATOM 0 HG SER A 153 2.353 -4.396 -7.890 1.00 0.00 H new ATOM 1082 N THR A 154 -0.319 -0.680 -9.796 1.00 0.00 N ATOM 1083 CA THR A 154 -0.517 0.726 -9.508 1.00 0.00 C ATOM 1084 C THR A 154 -1.623 0.922 -8.478 1.00 0.00 C ATOM 1085 O THR A 154 -2.798 0.667 -8.753 1.00 0.00 O ATOM 1086 CB THR A 154 -0.859 1.508 -10.788 1.00 0.00 C ATOM 1087 OG1 THR A 154 0.094 1.187 -11.813 1.00 0.00 O ATOM 1088 CG2 THR A 154 -0.852 3.012 -10.528 1.00 0.00 C ATOM 0 H THR A 154 -0.967 -1.067 -10.482 1.00 0.00 H new ATOM 0 HA THR A 154 0.418 1.110 -9.099 1.00 0.00 H new ATOM 0 HB THR A 154 -1.860 1.223 -11.112 1.00 0.00 H new ATOM 0 HG1 THR A 154 -0.124 1.683 -12.629 1.00 0.00 H new ATOM 0 HG21 THR A 154 -1.097 3.542 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 154 -1.591 3.253 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 154 0.137 3.317 -10.186 1.00 0.00 H new ATOM 1096 N VAL A 155 -1.234 1.358 -7.291 1.00 0.00 N ATOM 1097 CA VAL A 155 -2.183 1.643 -6.230 1.00 0.00 C ATOM 1098 C VAL A 155 -2.421 3.145 -6.147 1.00 0.00 C ATOM 1099 O VAL A 155 -1.473 3.927 -6.102 1.00 0.00 O ATOM 1100 CB VAL A 155 -1.676 1.127 -4.866 1.00 0.00 C ATOM 1101 CG1 VAL A 155 -2.727 1.319 -3.780 1.00 0.00 C ATOM 1102 CG2 VAL A 155 -1.260 -0.333 -4.966 1.00 0.00 C ATOM 0 H VAL A 155 -0.260 1.523 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.115 1.129 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.801 1.714 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -2.342 0.946 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -2.963 2.379 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -3.630 0.769 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.906 -0.678 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.115 -0.935 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -0.461 -0.434 -5.700 1.00 0.00 H new ATOM 1112 N PHE A 156 -3.681 3.544 -6.145 1.00 0.00 N ATOM 1113 CA PHE A 156 -4.036 4.952 -6.094 1.00 0.00 C ATOM 1114 C PHE A 156 -4.305 5.390 -4.663 1.00 0.00 C ATOM 1115 O PHE A 156 -5.301 4.989 -4.056 1.00 0.00 O ATOM 1116 CB PHE A 156 -5.257 5.228 -6.972 1.00 0.00 C ATOM 1117 CG PHE A 156 -4.986 5.060 -8.438 1.00 0.00 C ATOM 1118 CD1 PHE A 156 -5.143 3.829 -9.054 1.00 0.00 C ATOM 1119 CD2 PHE A 156 -4.566 6.138 -9.197 1.00 0.00 C ATOM 1120 CE1 PHE A 156 -4.885 3.677 -10.402 1.00 0.00 C ATOM 1121 CE2 PHE A 156 -4.306 5.992 -10.545 1.00 0.00 C ATOM 1122 CZ PHE A 156 -4.466 4.761 -11.149 1.00 0.00 C ATOM 0 H PHE A 156 -4.479 2.910 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 156 -3.194 5.529 -6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -6.065 4.557 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -5.605 6.244 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -5.471 2.979 -8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -4.440 7.104 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -5.011 2.713 -10.871 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -3.978 6.841 -11.127 1.00 0.00 H new ATOM 0 HZ PHE A 156 -4.264 4.646 -12.204 1.00 0.00 H new ATOM 1132 N MET A 157 -3.407 6.207 -4.129 1.00 0.00 N ATOM 1133 CA MET A 157 -3.541 6.719 -2.774 1.00 0.00 C ATOM 1134 C MET A 157 -4.477 7.918 -2.765 1.00 0.00 C ATOM 1135 O MET A 157 -4.074 9.034 -3.084 1.00 0.00 O ATOM 1136 CB MET A 157 -2.174 7.120 -2.210 1.00 0.00 C ATOM 1137 CG MET A 157 -2.230 7.641 -0.782 1.00 0.00 C ATOM 1138 SD MET A 157 -0.644 8.300 -0.227 1.00 0.00 S ATOM 1139 CE MET A 157 -1.067 8.818 1.434 1.00 0.00 C ATOM 0 H MET A 157 -2.573 6.531 -4.619 1.00 0.00 H new ATOM 0 HA MET A 157 -3.957 5.932 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 157 -1.509 6.257 -2.247 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.738 7.887 -2.850 1.00 0.00 H new ATOM 0 HG2 MET A 157 -2.989 8.420 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 157 -2.539 6.835 -0.116 1.00 0.00 H new ATOM 0 HE1 MET A 157 -1.069 9.907 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 157 -2.057 8.441 1.692 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.333 8.422 2.136 1.00 0.00 H new ATOM 1149 N ASN A 158 -5.732 7.681 -2.432 1.00 0.00 N ATOM 1150 CA ASN A 158 -6.724 8.744 -2.414 1.00 0.00 C ATOM 1151 C ASN A 158 -6.783 9.389 -1.036 1.00 0.00 C ATOM 1152 O ASN A 158 -6.766 8.697 -0.024 1.00 0.00 O ATOM 1153 CB ASN A 158 -8.098 8.191 -2.797 1.00 0.00 C ATOM 1154 CG ASN A 158 -8.174 7.728 -4.239 1.00 0.00 C ATOM 1155 OD1 ASN A 158 -8.472 8.506 -5.143 1.00 0.00 O ATOM 1156 ND2 ASN A 158 -7.928 6.445 -4.459 1.00 0.00 N ATOM 0 H ASN A 158 -6.090 6.763 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 158 -6.435 9.502 -3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -8.342 7.356 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -8.852 8.960 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -7.983 6.070 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -7.684 5.832 -3.681 1.00 0.00 H new ATOM 1163 N LEU A 159 -6.842 10.709 -0.992 1.00 0.00 N ATOM 1164 CA LEU A 159 -6.890 11.422 0.277 1.00 0.00 C ATOM 1165 C LEU A 159 -8.299 11.934 0.548 1.00 0.00 C ATOM 1166 O LEU A 159 -8.598 13.096 0.282 1.00 0.00 O ATOM 1167 CB LEU A 159 -5.897 12.588 0.279 1.00 0.00 C ATOM 1168 CG LEU A 159 -4.428 12.199 0.105 1.00 0.00 C ATOM 1169 CD1 LEU A 159 -3.564 13.445 -0.022 1.00 0.00 C ATOM 1170 CD2 LEU A 159 -3.959 11.341 1.273 1.00 0.00 C ATOM 0 H LEU A 159 -6.858 11.309 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.611 10.727 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.170 13.277 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.003 13.131 1.218 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.331 11.614 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.521 13.153 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -3.884 14.023 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -3.667 14.052 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.912 11.074 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.068 11.900 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.561 10.434 1.323 1.00 0.00 H new ATOM 1182 N ARG A 160 -9.155 11.045 1.061 1.00 0.00 N ATOM 1183 CA ARG A 160 -10.565 11.355 1.318 1.00 0.00 C ATOM 1184 C ARG A 160 -11.283 11.782 0.036 1.00 0.00 C ATOM 1185 O ARG A 160 -11.869 10.957 -0.666 1.00 0.00 O ATOM 1186 CB ARG A 160 -10.706 12.448 2.388 1.00 0.00 C ATOM 1187 CG ARG A 160 -10.320 12.010 3.795 1.00 0.00 C ATOM 1188 CD ARG A 160 -11.442 11.250 4.493 1.00 0.00 C ATOM 1189 NE ARG A 160 -11.787 10.000 3.818 1.00 0.00 N ATOM 1190 CZ ARG A 160 -12.931 9.345 4.008 1.00 0.00 C ATOM 1191 NH1 ARG A 160 -13.805 9.779 4.909 1.00 0.00 N ATOM 1192 NH2 ARG A 160 -13.182 8.234 3.326 1.00 0.00 N ATOM 0 H ARG A 160 -8.891 10.092 1.310 1.00 0.00 H new ATOM 0 HA ARG A 160 -11.034 10.443 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -10.087 13.299 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -11.739 12.795 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.433 11.379 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -10.055 12.887 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -11.144 11.033 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -12.326 11.885 4.546 1.00 0.00 H new ATOM 0 HE ARG A 160 -11.112 9.606 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -13.600 10.615 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -14.681 9.276 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -12.498 7.881 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -14.058 7.733 3.472 1.00 0.00 H new TER 1206 ARG A 160