USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 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 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 GLN : amide:sc= -0.0806 K(o=1.2,f=-4.4!) USER MOD Set 2.2: A 102 TYR OH : rot -64:sc= 1.25 USER MOD Set 3.1: A 44 ASN : amide:sc= -6.19! C(o=-6.2!,f=-5.8!) USER MOD Set 3.2: A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 42 LYS NZ :NH3+ -149:sc= 0.861 (180deg=0.332) USER MOD Set 4.3: A 46 TYR OH : rot -140:sc= -0.274 USER MOD Set 4.4: A 128 GLN : amide:sc= 0 X(o=0.59,f=0.089) USER MOD Set 5.1: A 19 SER OG : rot -170:sc= -1.11 USER MOD Set 5.2: A 22 GLN : amide:sc= -0.0513 X(o=-1.2,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 12:sc= -2.22 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -166:sc= -1.54 (180deg=-1.74) USER MOD Single : A 25 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.16 F(o=-4.1!,f=-2.2) USER MOD Single : A 47 SER OG : rot -170:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.05 X(o=-1,f=-0.78) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0277 K(o=-0.028,f=-4.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 82 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -147:sc= -0.601 USER MOD Single : A 89 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= 0.273 F(o=-1.5,f=0.27) USER MOD Single : A 97 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 163:sc= 0.124 USER MOD Single : A 116 THR OG1 : rot -97:sc= 1.21 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.105 12.968 -5.521 1.00 0.00 N ATOM 67 CA VAL A 8 -8.942 12.093 -5.435 1.00 0.00 C ATOM 68 C VAL A 8 -8.790 11.257 -6.701 1.00 0.00 C ATOM 69 O VAL A 8 -9.623 10.400 -6.997 1.00 0.00 O ATOM 70 CB VAL A 8 -9.036 11.151 -4.219 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.827 10.231 -4.162 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.167 11.954 -2.934 1.00 0.00 C ATOM 0 HA VAL A 8 -8.069 12.736 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.927 10.533 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.911 9.573 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.783 9.631 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.919 10.828 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.232 11.274 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.295 12.598 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.067 12.567 -2.978 1.00 0.00 H new ATOM 82 N LYS A 9 -7.719 11.510 -7.445 1.00 0.00 N ATOM 83 CA LYS A 9 -7.454 10.780 -8.679 1.00 0.00 C ATOM 84 C LYS A 9 -6.944 9.374 -8.381 1.00 0.00 C ATOM 85 O LYS A 9 -6.025 9.193 -7.582 1.00 0.00 O ATOM 86 CB LYS A 9 -6.431 11.535 -9.533 1.00 0.00 C ATOM 87 CG LYS A 9 -6.887 12.925 -9.941 1.00 0.00 C ATOM 88 CD LYS A 9 -5.869 13.604 -10.842 1.00 0.00 C ATOM 89 CE LYS A 9 -4.649 14.061 -10.057 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.468 14.272 -10.940 1.00 0.00 N ATOM 0 H LYS A 9 -7.020 12.216 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.390 10.698 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.496 11.617 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.219 10.953 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.844 12.858 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.048 13.532 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.560 12.915 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.330 14.461 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.881 14.988 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.406 13.318 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.657 14.583 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.231 13.381 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.690 15.000 -11.649 1.00 0.00 H new ATOM 104 N PHE A 10 -7.545 8.382 -9.029 1.00 0.00 N ATOM 105 CA PHE A 10 -7.152 6.991 -8.833 1.00 0.00 C ATOM 106 C PHE A 10 -5.944 6.641 -9.698 1.00 0.00 C ATOM 107 O PHE A 10 -5.660 7.315 -10.689 1.00 0.00 O ATOM 108 CB PHE A 10 -8.318 6.058 -9.163 1.00 0.00 C ATOM 109 CG PHE A 10 -9.573 6.374 -8.401 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.638 6.170 -7.032 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.687 6.876 -9.053 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.792 6.459 -6.328 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.844 7.168 -8.355 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.896 6.960 -6.991 1.00 0.00 C ATOM 0 H PHE A 10 -8.306 8.515 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.877 6.861 -7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.527 6.115 -10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.022 5.031 -8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.777 5.781 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.651 7.041 -10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.831 6.293 -5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.706 7.558 -8.876 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.798 7.189 -6.443 1.00 0.00 H new ATOM 124 N LEU A 11 -5.238 5.583 -9.316 1.00 0.00 N ATOM 125 CA LEU A 11 -4.060 5.142 -10.056 1.00 0.00 C ATOM 126 C LEU A 11 -3.134 6.316 -10.356 1.00 0.00 C ATOM 127 O LEU A 11 -2.478 6.353 -11.398 1.00 0.00 O ATOM 128 CB LEU A 11 -4.479 4.461 -11.360 1.00 0.00 C ATOM 129 CG LEU A 11 -5.304 3.182 -11.215 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.618 2.591 -12.581 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.570 2.169 -10.349 1.00 0.00 C ATOM 0 H LEU A 11 -5.460 5.014 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.519 4.426 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.053 5.175 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.579 4.227 -11.929 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.245 3.433 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.206 1.681 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.186 3.313 -13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.688 2.355 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.172 1.265 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.613 1.922 -10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.398 2.593 -9.360 1.00 0.00 H new ATOM 143 N THR A 12 -3.084 7.274 -9.436 1.00 0.00 N ATOM 144 CA THR A 12 -2.238 8.449 -9.601 1.00 0.00 C ATOM 145 C THR A 12 -1.508 8.787 -8.306 1.00 0.00 C ATOM 146 O THR A 12 -2.124 8.907 -7.247 1.00 0.00 O ATOM 147 CB THR A 12 -3.058 9.674 -10.049 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.248 9.782 -9.259 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.428 9.568 -11.521 1.00 0.00 C ATOM 0 H THR A 12 -3.620 7.259 -8.568 1.00 0.00 H new ATOM 0 HA THR A 12 -1.509 8.207 -10.374 1.00 0.00 H new ATOM 0 HB THR A 12 -2.446 10.565 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.184 9.181 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.007 10.444 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.520 9.515 -12.122 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.023 8.669 -11.683 1.00 0.00 H new ATOM 157 N VAL A 13 -0.190 8.940 -8.398 1.00 0.00 N ATOM 158 CA VAL A 13 0.624 9.266 -7.234 1.00 0.00 C ATOM 159 C VAL A 13 0.213 10.606 -6.633 1.00 0.00 C ATOM 160 O VAL A 13 0.343 11.649 -7.272 1.00 0.00 O ATOM 161 CB VAL A 13 2.121 9.314 -7.592 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.928 9.892 -6.439 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.625 7.927 -7.963 1.00 0.00 C ATOM 0 H VAL A 13 0.336 8.843 -9.267 1.00 0.00 H new ATOM 0 HA VAL A 13 0.458 8.477 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 13 2.249 9.966 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.983 9.918 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.583 10.904 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.796 9.269 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.685 7.980 -8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.484 7.251 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.067 7.555 -8.823 1.00 0.00 H new ATOM 173 N ASN A 14 -0.282 10.569 -5.401 1.00 0.00 N ATOM 174 CA ASN A 14 -0.713 11.781 -4.713 1.00 0.00 C ATOM 175 C ASN A 14 0.435 12.388 -3.912 1.00 0.00 C ATOM 176 O ASN A 14 0.899 11.803 -2.933 1.00 0.00 O ATOM 177 CB ASN A 14 -1.892 11.476 -3.787 1.00 0.00 C ATOM 178 CG ASN A 14 -2.957 10.636 -4.465 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.612 11.086 -5.405 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.135 9.409 -3.989 1.00 0.00 N ATOM 0 H ASN A 14 -0.395 9.713 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.030 12.503 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.530 10.953 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.334 12.412 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.838 8.798 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.569 9.078 -3.208 1.00 0.00 H new ATOM 187 N ASP A 15 0.886 13.564 -4.333 1.00 0.00 N ATOM 188 CA ASP A 15 1.978 14.252 -3.653 1.00 0.00 C ATOM 189 C ASP A 15 1.816 14.165 -2.139 1.00 0.00 C ATOM 190 O ASP A 15 2.736 13.761 -1.428 1.00 0.00 O ATOM 191 CB ASP A 15 2.036 15.717 -4.090 1.00 0.00 C ATOM 192 CG ASP A 15 2.444 15.873 -5.541 1.00 0.00 C ATOM 193 OD1 ASP A 15 3.581 15.483 -5.884 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.627 16.383 -6.335 1.00 0.00 O ATOM 0 H ASP A 15 0.513 14.061 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 15 2.912 13.762 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.059 16.177 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.743 16.254 -3.457 1.00 0.00 H new ATOM 199 N ASP A 16 0.641 14.548 -1.652 1.00 0.00 N ATOM 200 CA ASP A 16 0.358 14.514 -0.222 1.00 0.00 C ATOM 201 C ASP A 16 1.021 13.308 0.435 1.00 0.00 C ATOM 202 O ASP A 16 0.540 12.181 0.315 1.00 0.00 O ATOM 203 CB ASP A 16 -1.152 14.476 0.020 1.00 0.00 C ATOM 204 CG ASP A 16 -1.867 15.663 -0.595 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.268 16.757 -0.641 1.00 0.00 O ATOM 206 OD2 ASP A 16 -3.026 15.497 -1.030 1.00 0.00 O ATOM 0 H ASP A 16 -0.131 14.886 -2.227 1.00 0.00 H new ATOM 0 HA ASP A 16 0.767 15.420 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.560 13.555 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.345 14.455 1.093 1.00 0.00 H new ATOM 211 N ILE A 17 2.129 13.552 1.127 1.00 0.00 N ATOM 212 CA ILE A 17 2.858 12.485 1.802 1.00 0.00 C ATOM 213 C ILE A 17 2.223 12.152 3.147 1.00 0.00 C ATOM 214 O ILE A 17 1.958 13.040 3.958 1.00 0.00 O ATOM 215 CB ILE A 17 4.334 12.865 2.023 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.435 14.143 2.859 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.042 13.042 0.688 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.858 14.576 3.131 1.00 0.00 C ATOM 0 H ILE A 17 2.541 14.479 1.235 1.00 0.00 H new ATOM 0 HA ILE A 17 2.810 11.610 1.154 1.00 0.00 H new ATOM 0 HB ILE A 17 4.824 12.057 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.911 14.948 2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.923 13.988 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.084 13.310 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.996 12.109 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.554 13.833 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.853 15.488 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.380 13.789 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.368 14.764 2.186 1.00 0.00 H new ATOM 230 N LEU A 18 1.984 10.866 3.380 1.00 0.00 N ATOM 231 CA LEU A 18 1.381 10.414 4.629 1.00 0.00 C ATOM 232 C LEU A 18 1.829 8.995 4.967 1.00 0.00 C ATOM 233 O LEU A 18 2.012 8.163 4.078 1.00 0.00 O ATOM 234 CB LEU A 18 -0.144 10.470 4.532 1.00 0.00 C ATOM 235 CG LEU A 18 -0.769 11.864 4.578 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.271 11.784 4.352 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.463 12.542 5.906 1.00 0.00 C ATOM 0 H LEU A 18 2.199 10.118 2.720 1.00 0.00 H new ATOM 0 HA LEU A 18 1.712 11.080 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.447 9.989 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.562 9.879 5.347 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.334 12.463 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.698 12.786 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.469 11.340 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.724 11.168 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.916 13.533 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.870 11.945 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.616 12.634 6.027 1.00 0.00 H new ATOM 249 N SER A 19 2.003 8.726 6.257 1.00 0.00 N ATOM 250 CA SER A 19 2.431 7.409 6.713 1.00 0.00 C ATOM 251 C SER A 19 1.464 6.329 6.236 1.00 0.00 C ATOM 252 O SER A 19 0.364 6.627 5.771 1.00 0.00 O ATOM 253 CB SER A 19 2.531 7.382 8.239 1.00 0.00 C ATOM 254 OG SER A 19 1.253 7.505 8.837 1.00 0.00 O ATOM 0 H SER A 19 1.854 9.403 7.005 1.00 0.00 H new ATOM 0 HA SER A 19 3.414 7.206 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.997 6.450 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.174 8.194 8.579 1.00 0.00 H new ATOM 0 HG SER A 19 1.355 7.643 9.802 1.00 0.00 H new ATOM 260 N MET A 20 1.883 5.074 6.356 1.00 0.00 N ATOM 261 CA MET A 20 1.055 3.948 5.939 1.00 0.00 C ATOM 262 C MET A 20 -0.309 3.995 6.620 1.00 0.00 C ATOM 263 O MET A 20 -1.355 3.922 5.975 1.00 0.00 O ATOM 264 CB MET A 20 1.754 2.626 6.261 1.00 0.00 C ATOM 265 CG MET A 20 1.516 1.544 5.220 1.00 0.00 C ATOM 266 SD MET A 20 0.072 0.530 5.589 1.00 0.00 S ATOM 267 CE MET A 20 -0.337 -0.084 3.957 1.00 0.00 C ATOM 0 H MET A 20 2.791 4.811 6.739 1.00 0.00 H new ATOM 0 HA MET A 20 0.906 4.018 4.862 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.826 2.803 6.350 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.408 2.268 7.231 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.389 2.008 4.242 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.397 0.905 5.158 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.337 -0.517 3.971 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.308 0.738 3.241 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.385 -0.847 3.664 1.00 0.00 H new ATOM 277 N PRO A 21 -0.300 4.120 7.956 1.00 0.00 N ATOM 278 CA PRO A 21 -1.529 4.180 8.753 1.00 0.00 C ATOM 279 C PRO A 21 -2.297 5.480 8.538 1.00 0.00 C ATOM 280 O PRO A 21 -3.390 5.660 9.073 1.00 0.00 O ATOM 281 CB PRO A 21 -1.021 4.090 10.194 1.00 0.00 C ATOM 282 CG PRO A 21 0.373 4.610 10.137 1.00 0.00 C ATOM 283 CD PRO A 21 0.909 4.213 8.790 1.00 0.00 C ATOM 0 HA PRO A 21 -2.229 3.389 8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.638 4.684 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.046 3.063 10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.391 5.693 10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.980 4.188 10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.609 4.953 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.441 3.263 8.833 1.00 0.00 H new ATOM 291 N GLN A 22 -1.717 6.382 7.753 1.00 0.00 N ATOM 292 CA GLN A 22 -2.347 7.665 7.469 1.00 0.00 C ATOM 293 C GLN A 22 -2.887 7.703 6.043 1.00 0.00 C ATOM 294 O GLN A 22 -3.905 8.339 5.771 1.00 0.00 O ATOM 295 CB GLN A 22 -1.349 8.805 7.679 1.00 0.00 C ATOM 296 CG GLN A 22 -1.255 9.273 9.122 1.00 0.00 C ATOM 297 CD GLN A 22 -0.838 10.726 9.239 1.00 0.00 C ATOM 298 OE1 GLN A 22 -1.664 11.602 9.498 1.00 0.00 O ATOM 299 NE2 GLN A 22 0.449 10.990 9.047 1.00 0.00 N ATOM 0 H GLN A 22 -0.812 6.248 7.303 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.182 7.791 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.363 8.480 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.635 9.648 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.221 9.136 9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.538 8.649 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.099 10.233 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.788 11.950 9.112 1.00 0.00 H new ATOM 308 N ALA A 23 -2.199 7.016 5.137 1.00 0.00 N ATOM 309 CA ALA A 23 -2.610 6.970 3.739 1.00 0.00 C ATOM 310 C ALA A 23 -3.800 6.036 3.548 1.00 0.00 C ATOM 311 O ALA A 23 -4.862 6.454 3.086 1.00 0.00 O ATOM 312 CB ALA A 23 -1.447 6.533 2.861 1.00 0.00 C ATOM 0 H ALA A 23 -1.354 6.484 5.346 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.917 7.973 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.768 6.503 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.625 7.241 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.113 5.541 3.166 1.00 0.00 H new ATOM 318 N ARG A 24 -3.615 4.769 3.906 1.00 0.00 N ATOM 319 CA ARG A 24 -4.674 3.775 3.772 1.00 0.00 C ATOM 320 C ARG A 24 -6.000 4.319 4.294 1.00 0.00 C ATOM 321 O ARG A 24 -7.054 4.079 3.708 1.00 0.00 O ATOM 322 CB ARG A 24 -4.301 2.498 4.527 1.00 0.00 C ATOM 323 CG ARG A 24 -4.307 2.660 6.038 1.00 0.00 C ATOM 324 CD ARG A 24 -3.570 1.520 6.724 1.00 0.00 C ATOM 325 NE ARG A 24 -4.105 1.244 8.054 1.00 0.00 N ATOM 326 CZ ARG A 24 -5.294 0.690 8.267 1.00 0.00 C ATOM 327 NH1 ARG A 24 -6.066 0.355 7.243 1.00 0.00 N ATOM 328 NH2 ARG A 24 -5.712 0.469 9.507 1.00 0.00 N ATOM 0 H ARG A 24 -2.743 4.407 4.291 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.789 3.543 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.998 1.707 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.310 2.174 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.841 3.609 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.336 2.698 6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.641 0.622 6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.512 1.768 6.803 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.535 1.490 8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.748 0.522 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.978 -0.070 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.120 0.724 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.625 0.044 9.669 1.00 0.00 H new ATOM 342 N ASN A 25 -5.938 5.053 5.401 1.00 0.00 N ATOM 343 CA ASN A 25 -7.135 5.630 6.003 1.00 0.00 C ATOM 344 C ASN A 25 -7.725 6.715 5.107 1.00 0.00 C ATOM 345 O ASN A 25 -8.944 6.867 5.019 1.00 0.00 O ATOM 346 CB ASN A 25 -6.808 6.212 7.379 1.00 0.00 C ATOM 347 CG ASN A 25 -7.716 7.370 7.748 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.915 7.346 7.469 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.147 8.390 8.379 1.00 0.00 N ATOM 0 H ASN A 25 -5.073 5.262 5.899 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.873 4.836 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.898 5.429 8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.771 6.549 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.708 9.197 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.149 8.367 8.590 1.00 0.00 H new ATOM 356 N PHE A 26 -6.853 7.466 4.443 1.00 0.00 N ATOM 357 CA PHE A 26 -7.287 8.537 3.553 1.00 0.00 C ATOM 358 C PHE A 26 -8.033 7.974 2.348 1.00 0.00 C ATOM 359 O PHE A 26 -9.207 8.278 2.132 1.00 0.00 O ATOM 360 CB PHE A 26 -6.085 9.359 3.085 1.00 0.00 C ATOM 361 CG PHE A 26 -6.419 10.350 2.007 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.373 9.984 0.672 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.781 11.648 2.330 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.680 10.894 -0.322 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.089 12.563 1.340 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.039 12.185 0.013 1.00 0.00 C ATOM 0 H PHE A 26 -5.841 7.353 4.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.966 9.184 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.664 9.891 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.313 8.682 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.094 8.976 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.823 11.948 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.639 10.596 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.368 13.572 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.280 12.898 -0.762 1.00 0.00 H new ATOM 376 N CYS A 27 -7.344 7.151 1.564 1.00 0.00 N ATOM 377 CA CYS A 27 -7.939 6.545 0.379 1.00 0.00 C ATOM 378 C CYS A 27 -9.335 6.009 0.684 1.00 0.00 C ATOM 379 O CYS A 27 -10.277 6.233 -0.075 1.00 0.00 O ATOM 380 CB CYS A 27 -7.050 5.414 -0.142 1.00 0.00 C ATOM 381 SG CYS A 27 -5.513 5.983 -0.938 1.00 0.00 S ATOM 0 H CYS A 27 -6.372 6.888 1.728 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.024 7.315 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.794 4.755 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.618 4.819 -0.857 1.00 0.00 H new ATOM 386 N ALA A 28 -9.460 5.302 1.802 1.00 0.00 N ATOM 387 CA ALA A 28 -10.740 4.736 2.210 1.00 0.00 C ATOM 388 C ALA A 28 -11.767 5.833 2.469 1.00 0.00 C ATOM 389 O ALA A 28 -12.902 5.757 2.001 1.00 0.00 O ATOM 390 CB ALA A 28 -10.564 3.871 3.449 1.00 0.00 C ATOM 0 H ALA A 28 -8.690 5.107 2.442 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.110 4.113 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.528 3.455 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.870 3.059 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.168 4.478 4.263 1.00 0.00 H new ATOM 396 N SER A 29 -11.360 6.853 3.219 1.00 0.00 N ATOM 397 CA SER A 29 -12.247 7.964 3.545 1.00 0.00 C ATOM 398 C SER A 29 -12.722 8.669 2.278 1.00 0.00 C ATOM 399 O SER A 29 -13.893 9.027 2.156 1.00 0.00 O ATOM 400 CB SER A 29 -11.534 8.961 4.460 1.00 0.00 C ATOM 401 OG SER A 29 -12.237 10.190 4.521 1.00 0.00 O ATOM 0 H SER A 29 -10.422 6.933 3.612 1.00 0.00 H new ATOM 0 HA SER A 29 -13.117 7.562 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.444 8.540 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.522 9.135 4.095 1.00 0.00 H new ATOM 0 HG SER A 29 -11.762 10.810 5.113 1.00 0.00 H new ATOM 407 N ALA A 30 -11.804 8.865 1.337 1.00 0.00 N ATOM 408 CA ALA A 30 -12.128 9.525 0.079 1.00 0.00 C ATOM 409 C ALA A 30 -13.060 8.665 -0.768 1.00 0.00 C ATOM 410 O ALA A 30 -13.982 9.173 -1.405 1.00 0.00 O ATOM 411 CB ALA A 30 -10.856 9.845 -0.692 1.00 0.00 C ATOM 0 H ALA A 30 -10.830 8.576 1.423 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.645 10.457 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.113 10.338 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.226 10.505 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.317 8.922 -0.903 1.00 0.00 H new ATOM 417 N GLY A 31 -12.813 7.359 -0.771 1.00 0.00 N ATOM 418 CA GLY A 31 -13.638 6.449 -1.544 1.00 0.00 C ATOM 419 C GLY A 31 -12.817 5.494 -2.386 1.00 0.00 C ATOM 420 O GLY A 31 -13.147 5.233 -3.542 1.00 0.00 O ATOM 0 H GLY A 31 -12.056 6.915 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.274 5.877 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.298 7.025 -2.193 1.00 0.00 H new ATOM 424 N GLY A 32 -11.740 4.972 -1.807 1.00 0.00 N ATOM 425 CA GLY A 32 -10.884 4.048 -2.528 1.00 0.00 C ATOM 426 C GLY A 32 -10.028 3.208 -1.601 1.00 0.00 C ATOM 427 O GLY A 32 -10.337 3.066 -0.417 1.00 0.00 O ATOM 0 H GLY A 32 -11.445 5.173 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.500 3.392 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.239 4.608 -3.205 1.00 0.00 H new ATOM 431 N TYR A 33 -8.951 2.647 -2.139 1.00 0.00 N ATOM 432 CA TYR A 33 -8.050 1.812 -1.353 1.00 0.00 C ATOM 433 C TYR A 33 -6.699 1.666 -2.047 1.00 0.00 C ATOM 434 O TYR A 33 -6.615 1.663 -3.276 1.00 0.00 O ATOM 435 CB TYR A 33 -8.669 0.433 -1.123 1.00 0.00 C ATOM 436 CG TYR A 33 -9.196 -0.213 -2.384 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.359 -0.951 -3.212 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.531 -0.085 -2.748 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.836 -1.541 -4.366 1.00 0.00 C ATOM 440 CE2 TYR A 33 -11.017 -0.674 -3.899 1.00 0.00 C ATOM 441 CZ TYR A 33 -10.166 -1.401 -4.705 1.00 0.00 C ATOM 442 OH TYR A 33 -10.645 -1.989 -5.853 1.00 0.00 O ATOM 0 H TYR A 33 -8.680 2.755 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.893 2.297 -0.390 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.921 -0.221 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.483 0.525 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.318 -1.065 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.200 0.485 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.171 -2.109 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.058 -0.566 -4.166 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.601 -1.795 -5.945 1.00 0.00 H new ATOM 452 N LEU A 34 -5.643 1.544 -1.250 1.00 0.00 N ATOM 453 CA LEU A 34 -4.294 1.396 -1.786 1.00 0.00 C ATOM 454 C LEU A 34 -4.279 0.427 -2.964 1.00 0.00 C ATOM 455 O LEU A 34 -4.880 -0.645 -2.906 1.00 0.00 O ATOM 456 CB LEU A 34 -3.342 0.903 -0.694 1.00 0.00 C ATOM 457 CG LEU A 34 -2.832 1.965 0.281 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.097 1.315 1.442 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.928 2.957 -0.437 1.00 0.00 C ATOM 0 H LEU A 34 -5.695 1.545 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.960 2.372 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.849 0.126 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.482 0.436 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.690 2.507 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.741 2.086 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.774 0.645 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.248 0.747 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.574 3.706 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.075 2.429 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.487 3.447 -1.234 1.00 0.00 H new ATOM 471 N ALA A 35 -3.586 0.812 -4.031 1.00 0.00 N ATOM 472 CA ALA A 35 -3.489 -0.024 -5.221 1.00 0.00 C ATOM 473 C ALA A 35 -2.422 -1.100 -5.051 1.00 0.00 C ATOM 474 O ALA A 35 -1.237 -0.795 -4.909 1.00 0.00 O ATOM 475 CB ALA A 35 -3.190 0.831 -6.444 1.00 0.00 C ATOM 0 H ALA A 35 -3.084 1.697 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.448 -0.521 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.120 0.194 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.990 1.558 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.245 1.355 -6.300 1.00 0.00 H new ATOM 481 N ASP A 36 -2.848 -2.357 -5.065 1.00 0.00 N ATOM 482 CA ASP A 36 -1.928 -3.479 -4.913 1.00 0.00 C ATOM 483 C ASP A 36 -1.060 -3.642 -6.157 1.00 0.00 C ATOM 484 O ASP A 36 -1.259 -2.956 -7.159 1.00 0.00 O ATOM 485 CB ASP A 36 -2.704 -4.769 -4.644 1.00 0.00 C ATOM 486 CG ASP A 36 -3.934 -4.899 -5.520 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.795 -4.798 -6.757 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.036 -5.102 -4.969 1.00 0.00 O ATOM 0 H ASP A 36 -3.825 -2.626 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.278 -3.272 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.050 -5.625 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.003 -4.798 -3.596 1.00 0.00 H new ATOM 493 N ASP A 37 -0.097 -4.554 -6.084 1.00 0.00 N ATOM 494 CA ASP A 37 0.802 -4.808 -7.203 1.00 0.00 C ATOM 495 C ASP A 37 0.964 -6.306 -7.442 1.00 0.00 C ATOM 496 O ASP A 37 2.001 -6.888 -7.120 1.00 0.00 O ATOM 497 CB ASP A 37 2.168 -4.170 -6.944 1.00 0.00 C ATOM 498 CG ASP A 37 2.868 -3.759 -8.224 1.00 0.00 C ATOM 499 OD1 ASP A 37 2.517 -4.301 -9.293 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.766 -2.895 -8.157 1.00 0.00 O ATOM 0 H ASP A 37 0.081 -5.130 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 37 0.364 -4.361 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.042 -3.296 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.797 -4.874 -6.399 1.00 0.00 H new ATOM 505 N LEU A 38 -0.068 -6.925 -8.005 1.00 0.00 N ATOM 506 CA LEU A 38 -0.041 -8.356 -8.286 1.00 0.00 C ATOM 507 C LEU A 38 -0.220 -8.622 -9.777 1.00 0.00 C ATOM 508 O LEU A 38 -1.343 -8.716 -10.271 1.00 0.00 O ATOM 509 CB LEU A 38 -1.136 -9.072 -7.493 1.00 0.00 C ATOM 510 CG LEU A 38 -2.516 -8.413 -7.510 1.00 0.00 C ATOM 511 CD1 LEU A 38 -3.609 -9.461 -7.372 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.625 -7.376 -6.402 1.00 0.00 C ATOM 0 H LEU A 38 -0.934 -6.458 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 38 0.932 -8.743 -7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.235 -10.086 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.809 -9.158 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.645 -7.907 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.584 -8.974 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.544 -10.166 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.484 -9.995 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.613 -6.917 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.475 -7.858 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.865 -6.608 -6.546 1.00 0.00 H new ATOM 524 N GLY A 39 0.896 -8.745 -10.490 1.00 0.00 N ATOM 525 CA GLY A 39 0.840 -9.001 -11.917 1.00 0.00 C ATOM 526 C GLY A 39 1.952 -8.303 -12.675 1.00 0.00 C ATOM 527 O GLY A 39 2.267 -7.145 -12.400 1.00 0.00 O ATOM 0 H GLY A 39 1.837 -8.672 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.903 -10.075 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.123 -8.670 -12.305 1.00 0.00 H new ATOM 531 N ASP A 40 2.547 -9.007 -13.631 1.00 0.00 N ATOM 532 CA ASP A 40 3.631 -8.448 -14.431 1.00 0.00 C ATOM 533 C ASP A 40 3.228 -7.102 -15.025 1.00 0.00 C ATOM 534 O ASP A 40 3.929 -6.104 -14.858 1.00 0.00 O ATOM 535 CB ASP A 40 4.021 -9.417 -15.548 1.00 0.00 C ATOM 536 CG ASP A 40 4.775 -8.732 -16.671 1.00 0.00 C ATOM 537 OD1 ASP A 40 4.148 -7.955 -17.420 1.00 0.00 O ATOM 538 OD2 ASP A 40 5.994 -8.975 -16.801 1.00 0.00 O ATOM 0 H ASP A 40 2.297 -9.966 -13.871 1.00 0.00 H new ATOM 0 HA ASP A 40 4.490 -8.294 -13.778 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.637 -10.215 -15.134 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.122 -9.884 -15.950 1.00 0.00 H new ATOM 543 N ASP A 41 2.096 -7.083 -15.721 1.00 0.00 N ATOM 544 CA ASP A 41 1.600 -5.860 -16.340 1.00 0.00 C ATOM 545 C ASP A 41 1.263 -4.813 -15.283 1.00 0.00 C ATOM 546 O ASP A 41 1.482 -3.618 -15.484 1.00 0.00 O ATOM 547 CB ASP A 41 0.366 -6.159 -17.192 1.00 0.00 C ATOM 548 CG ASP A 41 0.693 -7.002 -18.409 1.00 0.00 C ATOM 549 OD1 ASP A 41 1.694 -6.698 -19.090 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.054 -7.966 -18.681 1.00 0.00 O ATOM 0 H ASP A 41 1.505 -7.901 -15.870 1.00 0.00 H new ATOM 0 HA ASP A 41 2.387 -5.462 -16.981 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.375 -6.677 -16.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.085 -5.221 -17.514 1.00 0.00 H new ATOM 555 N LYS A 42 0.727 -5.270 -14.156 1.00 0.00 N ATOM 556 CA LYS A 42 0.359 -4.374 -13.066 1.00 0.00 C ATOM 557 C LYS A 42 1.564 -3.568 -12.593 1.00 0.00 C ATOM 558 O LYS A 42 1.479 -2.354 -12.415 1.00 0.00 O ATOM 559 CB LYS A 42 -0.225 -5.172 -11.898 1.00 0.00 C ATOM 560 CG LYS A 42 -0.978 -4.318 -10.893 1.00 0.00 C ATOM 561 CD LYS A 42 -2.335 -3.893 -11.428 1.00 0.00 C ATOM 562 CE LYS A 42 -2.951 -2.795 -10.575 1.00 0.00 C ATOM 563 NZ LYS A 42 -3.298 -3.281 -9.211 1.00 0.00 N ATOM 0 H LYS A 42 0.538 -6.256 -13.974 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.395 -3.681 -13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.898 -5.934 -12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.583 -5.694 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.110 -4.876 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.388 -3.434 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.229 -3.542 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.003 -4.754 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.253 -1.961 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.848 -2.415 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.127 -2.761 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.517 -4.297 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.493 -3.125 -8.572 1.00 0.00 H new ATOM 577 N ASN A 43 2.686 -4.252 -12.393 1.00 0.00 N ATOM 578 CA ASN A 43 3.909 -3.599 -11.941 1.00 0.00 C ATOM 579 C ASN A 43 4.499 -2.726 -13.045 1.00 0.00 C ATOM 580 O ASN A 43 4.934 -1.603 -12.796 1.00 0.00 O ATOM 581 CB ASN A 43 4.936 -4.643 -11.498 1.00 0.00 C ATOM 582 CG ASN A 43 6.333 -4.065 -11.377 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.936 -3.733 -12.512 1.00 0.00 O flip ATOM 584 ND2 ASN A 43 6.863 -3.919 -10.275 1.00 0.00 N flip ATOM 0 H ASN A 43 2.773 -5.258 -12.537 1.00 0.00 H new ATOM 0 HA ASN A 43 3.659 -2.962 -11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.634 -5.061 -10.538 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.947 -5.465 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.362 -4.188 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.803 -3.529 -10.209 1.00 0.00 H new ATOM 591 N ASN A 44 4.509 -3.252 -14.265 1.00 0.00 N ATOM 592 CA ASN A 44 5.046 -2.521 -15.408 1.00 0.00 C ATOM 593 C ASN A 44 4.344 -1.176 -15.571 1.00 0.00 C ATOM 594 O ASN A 44 4.931 -0.213 -16.066 1.00 0.00 O ATOM 595 CB ASN A 44 4.892 -3.347 -16.686 1.00 0.00 C ATOM 596 CG ASN A 44 5.700 -4.630 -16.646 1.00 0.00 C ATOM 597 OD1 ASN A 44 6.838 -4.645 -16.178 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.112 -5.715 -17.138 1.00 0.00 N ATOM 0 H ASN A 44 4.152 -4.181 -14.488 1.00 0.00 H new ATOM 0 HA ASN A 44 6.105 -2.339 -15.227 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.839 -3.588 -16.835 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.206 -2.749 -17.542 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.606 -6.607 -17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.167 -5.656 -17.516 1.00 0.00 H new ATOM 605 N PHE A 45 3.085 -1.117 -15.151 1.00 0.00 N ATOM 606 CA PHE A 45 2.302 0.110 -15.251 1.00 0.00 C ATOM 607 C PHE A 45 2.782 1.144 -14.237 1.00 0.00 C ATOM 608 O PHE A 45 3.038 2.297 -14.585 1.00 0.00 O ATOM 609 CB PHE A 45 0.818 -0.188 -15.029 1.00 0.00 C ATOM 610 CG PHE A 45 0.049 0.977 -14.474 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.415 1.980 -15.309 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.208 1.069 -13.115 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.123 3.053 -14.801 1.00 0.00 C ATOM 614 CE2 PHE A 45 -0.916 2.139 -12.602 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.373 3.133 -13.445 1.00 0.00 C ATOM 0 H PHE A 45 2.585 -1.904 -14.738 1.00 0.00 H new ATOM 0 HA PHE A 45 2.437 0.518 -16.253 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.371 -0.490 -15.976 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.723 -1.033 -14.347 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.221 1.923 -16.370 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.149 0.296 -12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.480 3.828 -15.463 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.112 2.198 -11.542 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.925 3.971 -13.045 1.00 0.00 H new ATOM 625 N TYR A 46 2.900 0.724 -12.983 1.00 0.00 N ATOM 626 CA TYR A 46 3.345 1.614 -11.917 1.00 0.00 C ATOM 627 C TYR A 46 4.688 2.250 -12.264 1.00 0.00 C ATOM 628 O TYR A 46 4.836 3.472 -12.232 1.00 0.00 O ATOM 629 CB TYR A 46 3.457 0.848 -10.598 1.00 0.00 C ATOM 630 CG TYR A 46 2.122 0.420 -10.031 1.00 0.00 C ATOM 631 CD1 TYR A 46 1.064 1.316 -9.940 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.919 -0.881 -9.588 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.157 0.929 -9.423 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.701 -1.277 -9.070 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.334 -0.368 -8.989 1.00 0.00 C ATOM 636 OH TYR A 46 -1.549 -0.758 -8.474 1.00 0.00 O ATOM 0 H TYR A 46 2.694 -0.228 -12.679 1.00 0.00 H new ATOM 0 HA TYR A 46 2.605 2.407 -11.807 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.077 -0.035 -10.752 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.969 1.473 -9.867 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.199 2.332 -10.279 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.727 -1.595 -9.650 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.969 1.638 -9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.560 -2.292 -8.730 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.404 -1.347 -7.704 1.00 0.00 H new ATOM 646 N SER A 47 5.664 1.412 -12.597 1.00 0.00 N ATOM 647 CA SER A 47 6.996 1.890 -12.947 1.00 0.00 C ATOM 648 C SER A 47 6.913 3.121 -13.844 1.00 0.00 C ATOM 649 O SER A 47 7.653 4.088 -13.660 1.00 0.00 O ATOM 650 CB SER A 47 7.789 0.786 -13.650 1.00 0.00 C ATOM 651 OG SER A 47 9.183 0.969 -13.476 1.00 0.00 O ATOM 0 H SER A 47 5.557 0.398 -12.632 1.00 0.00 H new ATOM 0 HA SER A 47 7.509 2.166 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.495 -0.186 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.550 0.783 -14.713 1.00 0.00 H new ATOM 0 HG SER A 47 9.670 0.350 -14.059 1.00 0.00 H new ATOM 657 N SER A 48 6.006 3.078 -14.815 1.00 0.00 N ATOM 658 CA SER A 48 5.827 4.188 -15.744 1.00 0.00 C ATOM 659 C SER A 48 5.687 5.508 -14.992 1.00 0.00 C ATOM 660 O SER A 48 6.396 6.475 -15.274 1.00 0.00 O ATOM 661 CB SER A 48 4.596 3.954 -16.621 1.00 0.00 C ATOM 662 OG SER A 48 4.616 4.793 -17.763 1.00 0.00 O ATOM 0 H SER A 48 5.384 2.287 -14.979 1.00 0.00 H new ATOM 0 HA SER A 48 6.711 4.244 -16.380 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.561 2.910 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.692 4.144 -16.042 1.00 0.00 H new ATOM 0 HG SER A 48 3.819 4.623 -18.308 1.00 0.00 H new ATOM 668 N ILE A 49 4.767 5.541 -14.034 1.00 0.00 N ATOM 669 CA ILE A 49 4.533 6.741 -13.240 1.00 0.00 C ATOM 670 C ILE A 49 5.479 6.803 -12.046 1.00 0.00 C ATOM 671 O ILE A 49 5.627 7.848 -11.412 1.00 0.00 O ATOM 672 CB ILE A 49 3.080 6.806 -12.733 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.830 5.711 -11.694 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.107 6.674 -13.895 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.501 5.844 -10.984 1.00 0.00 C ATOM 0 H ILE A 49 4.171 4.750 -13.789 1.00 0.00 H new ATOM 0 HA ILE A 49 4.720 7.593 -13.893 1.00 0.00 H new ATOM 0 HB ILE A 49 2.919 7.774 -12.259 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.875 4.739 -12.185 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.631 5.733 -10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.084 6.722 -13.521 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.273 7.487 -14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.266 5.719 -14.396 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.391 5.035 -10.262 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.460 6.801 -10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.692 5.792 -11.713 1.00 0.00 H new ATOM 687 N ALA A 50 6.120 5.678 -11.747 1.00 0.00 N ATOM 688 CA ALA A 50 7.056 5.606 -10.631 1.00 0.00 C ATOM 689 C ALA A 50 8.452 6.049 -11.057 1.00 0.00 C ATOM 690 O ALA A 50 9.450 5.649 -10.457 1.00 0.00 O ATOM 691 CB ALA A 50 7.098 4.194 -10.068 1.00 0.00 C ATOM 0 H ALA A 50 6.009 4.804 -12.261 1.00 0.00 H new ATOM 0 HA ALA A 50 6.709 6.285 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.801 4.155 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.105 3.912 -9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.419 3.501 -10.846 1.00 0.00 H new ATOM 697 N ALA A 51 8.515 6.877 -12.095 1.00 0.00 N ATOM 698 CA ALA A 51 9.788 7.375 -12.599 1.00 0.00 C ATOM 699 C ALA A 51 10.538 8.153 -11.523 1.00 0.00 C ATOM 700 O ALA A 51 10.452 9.378 -11.456 1.00 0.00 O ATOM 701 CB ALA A 51 9.566 8.247 -13.825 1.00 0.00 C ATOM 0 H ALA A 51 7.698 7.217 -12.603 1.00 0.00 H new ATOM 0 HA ALA A 51 10.398 6.518 -12.883 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.526 8.612 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.080 7.661 -14.605 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.933 9.094 -13.559 1.00 0.00 H new ATOM 707 N ASN A 52 11.274 7.433 -10.682 1.00 0.00 N ATOM 708 CA ASN A 52 12.038 8.056 -9.608 1.00 0.00 C ATOM 709 C ASN A 52 11.116 8.524 -8.485 1.00 0.00 C ATOM 710 O ASN A 52 11.346 9.566 -7.871 1.00 0.00 O ATOM 711 CB ASN A 52 12.844 9.239 -10.148 1.00 0.00 C ATOM 712 CG ASN A 52 13.511 8.928 -11.473 1.00 0.00 C ATOM 713 OD1 ASN A 52 14.530 8.238 -11.520 1.00 0.00 O ATOM 714 ND2 ASN A 52 12.939 9.436 -12.558 1.00 0.00 N ATOM 0 H ASN A 52 11.357 6.417 -10.724 1.00 0.00 H new ATOM 0 HA ASN A 52 12.724 7.311 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.185 10.099 -10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.604 9.520 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.343 9.260 -13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.095 10.002 -12.472 1.00 0.00 H new ATOM 721 N THR A 53 10.071 7.745 -8.222 1.00 0.00 N ATOM 722 CA THR A 53 9.115 8.079 -7.174 1.00 0.00 C ATOM 723 C THR A 53 8.857 6.884 -6.263 1.00 0.00 C ATOM 724 O THR A 53 8.554 5.788 -6.734 1.00 0.00 O ATOM 725 CB THR A 53 7.776 8.556 -7.767 1.00 0.00 C ATOM 726 OG1 THR A 53 8.000 9.639 -8.677 1.00 0.00 O ATOM 727 CG2 THR A 53 6.824 9.000 -6.667 1.00 0.00 C ATOM 0 H THR A 53 9.866 6.879 -8.720 1.00 0.00 H new ATOM 0 HA THR A 53 9.555 8.888 -6.591 1.00 0.00 H new ATOM 0 HB THR A 53 7.324 7.721 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.144 9.935 -9.051 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.885 9.332 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.631 8.165 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.272 9.821 -6.108 1.00 0.00 H new ATOM 735 N GLN A 54 8.980 7.103 -4.958 1.00 0.00 N ATOM 736 CA GLN A 54 8.760 6.043 -3.982 1.00 0.00 C ATOM 737 C GLN A 54 7.446 6.253 -3.237 1.00 0.00 C ATOM 738 O GLN A 54 7.306 7.194 -2.456 1.00 0.00 O ATOM 739 CB GLN A 54 9.920 5.988 -2.987 1.00 0.00 C ATOM 740 CG GLN A 54 11.253 5.631 -3.626 1.00 0.00 C ATOM 741 CD GLN A 54 12.423 5.825 -2.682 1.00 0.00 C ATOM 742 OE1 GLN A 54 12.605 5.060 -1.734 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.226 6.852 -2.936 1.00 0.00 N ATOM 0 H GLN A 54 9.231 8.005 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 54 8.705 5.096 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.011 6.956 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.690 5.256 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.226 4.593 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.402 6.245 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.039 7.461 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.030 7.031 -2.335 1.00 0.00 H new ATOM 752 N PHE A 55 6.484 5.370 -3.484 1.00 0.00 N ATOM 753 CA PHE A 55 5.180 5.459 -2.838 1.00 0.00 C ATOM 754 C PHE A 55 4.789 4.122 -2.215 1.00 0.00 C ATOM 755 O PHE A 55 5.322 3.075 -2.582 1.00 0.00 O ATOM 756 CB PHE A 55 4.115 5.895 -3.847 1.00 0.00 C ATOM 757 CG PHE A 55 4.027 5.000 -5.050 1.00 0.00 C ATOM 758 CD1 PHE A 55 5.058 4.958 -5.975 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.915 4.201 -5.256 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.980 4.136 -7.083 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.831 3.376 -6.362 1.00 0.00 C ATOM 762 CZ PHE A 55 3.865 3.343 -7.277 1.00 0.00 C ATOM 0 H PHE A 55 6.583 4.585 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 55 5.246 6.204 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.145 5.920 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.332 6.912 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.932 5.575 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.103 4.223 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.790 4.113 -7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.958 2.758 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.802 2.699 -8.142 1.00 0.00 H new ATOM 772 N TRP A 56 3.855 4.166 -1.272 1.00 0.00 N ATOM 773 CA TRP A 56 3.393 2.959 -0.597 1.00 0.00 C ATOM 774 C TRP A 56 2.584 2.081 -1.546 1.00 0.00 C ATOM 775 O TRP A 56 2.296 2.474 -2.676 1.00 0.00 O ATOM 776 CB TRP A 56 2.548 3.324 0.624 1.00 0.00 C ATOM 777 CG TRP A 56 3.319 4.049 1.685 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.155 5.347 2.077 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.378 3.516 2.490 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.047 5.653 3.075 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.808 4.547 3.347 1.00 0.00 C ATOM 782 CE3 TRP A 56 5.002 2.269 2.570 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.834 4.367 4.271 1.00 0.00 C ATOM 784 CZ3 TRP A 56 6.021 2.092 3.487 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.428 3.136 4.328 1.00 0.00 C ATOM 0 H TRP A 56 3.403 5.024 -0.957 1.00 0.00 H new ATOM 0 HA TRP A 56 4.268 2.398 -0.269 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.711 3.945 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.126 2.414 1.050 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.430 6.032 1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.130 6.558 3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.694 1.458 1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.150 5.171 4.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.512 1.132 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.226 2.966 5.035 1.00 0.00 H new ATOM 796 N ILE A 57 2.221 0.891 -1.079 1.00 0.00 N ATOM 797 CA ILE A 57 1.445 -0.042 -1.887 1.00 0.00 C ATOM 798 C ILE A 57 0.484 -0.850 -1.022 1.00 0.00 C ATOM 799 O ILE A 57 0.503 -0.752 0.205 1.00 0.00 O ATOM 800 CB ILE A 57 2.357 -1.009 -2.663 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.301 -1.735 -1.703 1.00 0.00 C ATOM 802 CG2 ILE A 57 3.147 -0.257 -3.723 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.109 -2.831 -2.362 1.00 0.00 C ATOM 0 H ILE A 57 2.452 0.550 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 57 0.875 0.555 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 57 1.734 -1.752 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.983 -1.010 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.718 -2.165 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.787 -0.955 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.458 0.218 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.763 0.505 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.756 -3.302 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.435 -3.578 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.719 -2.405 -3.158 1.00 0.00 H new ATOM 815 N GLY A 58 -0.356 -1.652 -1.670 1.00 0.00 N ATOM 816 CA GLY A 58 -1.312 -2.468 -0.944 1.00 0.00 C ATOM 817 C GLY A 58 -0.643 -3.550 -0.120 1.00 0.00 C ATOM 818 O GLY A 58 -1.284 -4.192 0.714 1.00 0.00 O ATOM 0 H GLY A 58 -0.391 -1.751 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.905 -1.831 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.003 -2.928 -1.651 1.00 0.00 H new ATOM 822 N LEU A 59 0.649 -3.754 -0.352 1.00 0.00 N ATOM 823 CA LEU A 59 1.406 -4.768 0.374 1.00 0.00 C ATOM 824 C LEU A 59 1.832 -4.251 1.744 1.00 0.00 C ATOM 825 O LEU A 59 2.487 -3.214 1.852 1.00 0.00 O ATOM 826 CB LEU A 59 2.637 -5.188 -0.431 1.00 0.00 C ATOM 827 CG LEU A 59 3.225 -6.558 -0.092 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.270 -7.667 -0.506 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.578 -6.739 -0.765 1.00 0.00 C ATOM 0 H LEU A 59 1.194 -3.231 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 59 0.761 -5.635 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.375 -5.179 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.413 -4.436 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 59 3.367 -6.613 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.706 -8.634 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.324 -7.548 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.095 -7.614 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.982 -7.720 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.460 -6.662 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.263 -5.965 -0.419 1.00 0.00 H new ATOM 841 N PHE A 60 1.458 -4.982 2.789 1.00 0.00 N ATOM 842 CA PHE A 60 1.803 -4.598 4.153 1.00 0.00 C ATOM 843 C PHE A 60 1.880 -5.823 5.060 1.00 0.00 C ATOM 844 O PHE A 60 1.052 -6.730 4.970 1.00 0.00 O ATOM 845 CB PHE A 60 0.775 -3.607 4.702 1.00 0.00 C ATOM 846 CG PHE A 60 -0.534 -4.244 5.072 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.636 -5.046 6.197 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.663 -4.041 4.294 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.839 -5.634 6.539 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.869 -4.627 4.631 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.957 -5.423 5.755 1.00 0.00 C ATOM 0 H PHE A 60 0.916 -5.843 2.717 1.00 0.00 H new ATOM 0 HA PHE A 60 2.783 -4.121 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.191 -3.114 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.595 -2.832 3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.235 -5.214 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.600 -3.418 3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.905 -6.258 7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.741 -4.462 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.898 -5.880 6.021 1.00 0.00 H new ATOM 861 N LYS A 61 2.881 -5.843 5.934 1.00 0.00 N ATOM 862 CA LYS A 61 3.068 -6.955 6.858 1.00 0.00 C ATOM 863 C LYS A 61 2.060 -6.888 8.001 1.00 0.00 C ATOM 864 O LYS A 61 1.710 -5.805 8.469 1.00 0.00 O ATOM 865 CB LYS A 61 4.492 -6.945 7.419 1.00 0.00 C ATOM 866 CG LYS A 61 4.773 -8.082 8.386 1.00 0.00 C ATOM 867 CD LYS A 61 6.264 -8.272 8.606 1.00 0.00 C ATOM 868 CE LYS A 61 6.927 -8.923 7.401 1.00 0.00 C ATOM 869 NZ LYS A 61 8.390 -9.110 7.607 1.00 0.00 N ATOM 0 H LYS A 61 3.575 -5.101 6.022 1.00 0.00 H new ATOM 0 HA LYS A 61 2.907 -7.882 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.200 -7.000 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.667 -5.996 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.287 -7.878 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.341 -9.005 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.730 -7.306 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.427 -8.889 9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.461 -9.889 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.760 -8.307 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.805 -9.556 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.839 -8.186 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.549 -9.719 8.435 1.00 0.00 H new ATOM 883 N ASN A 62 1.598 -8.052 8.446 1.00 0.00 N ATOM 884 CA ASN A 62 0.630 -8.124 9.535 1.00 0.00 C ATOM 885 C ASN A 62 1.298 -8.591 10.825 1.00 0.00 C ATOM 886 O ASN A 62 2.478 -8.939 10.835 1.00 0.00 O ATOM 887 CB ASN A 62 -0.513 -9.072 9.167 1.00 0.00 C ATOM 888 CG ASN A 62 -1.802 -8.730 9.889 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.873 -7.744 10.624 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.829 -9.546 9.684 1.00 0.00 N ATOM 0 H ASN A 62 1.878 -8.958 8.070 1.00 0.00 H new ATOM 0 HA ASN A 62 0.226 -7.125 9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.681 -9.034 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.225 -10.095 9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.722 -9.368 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.725 -10.351 9.067 1.00 0.00 H new ATOM 897 N SER A 63 0.533 -8.597 11.912 1.00 0.00 N ATOM 898 CA SER A 63 1.050 -9.019 13.209 1.00 0.00 C ATOM 899 C SER A 63 1.771 -10.359 13.096 1.00 0.00 C ATOM 900 O SER A 63 2.927 -10.489 13.498 1.00 0.00 O ATOM 901 CB SER A 63 -0.088 -9.123 14.226 1.00 0.00 C ATOM 902 OG SER A 63 -0.488 -7.840 14.676 1.00 0.00 O ATOM 0 H SER A 63 -0.447 -8.314 11.920 1.00 0.00 H new ATOM 0 HA SER A 63 1.764 -8.269 13.550 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.938 -9.635 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.233 -9.726 15.075 1.00 0.00 H new ATOM 0 HG SER A 63 -1.218 -7.933 15.324 1.00 0.00 H new ATOM 908 N ASP A 64 1.079 -11.351 12.548 1.00 0.00 N ATOM 909 CA ASP A 64 1.652 -12.682 12.381 1.00 0.00 C ATOM 910 C ASP A 64 3.048 -12.600 11.771 1.00 0.00 C ATOM 911 O ASP A 64 3.963 -13.305 12.193 1.00 0.00 O ATOM 912 CB ASP A 64 0.747 -13.544 11.500 1.00 0.00 C ATOM 913 CG ASP A 64 -0.363 -14.212 12.288 1.00 0.00 C ATOM 914 OD1 ASP A 64 -0.052 -15.083 13.127 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.542 -13.864 12.066 1.00 0.00 O ATOM 0 H ASP A 64 0.120 -11.259 12.212 1.00 0.00 H new ATOM 0 HA ASP A 64 1.732 -13.142 13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.310 -12.924 10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.347 -14.307 11.005 1.00 0.00 H new ATOM 920 N GLY A 65 3.202 -11.734 10.774 1.00 0.00 N ATOM 921 CA GLY A 65 4.489 -11.577 10.120 1.00 0.00 C ATOM 922 C GLY A 65 4.415 -11.825 8.627 1.00 0.00 C ATOM 923 O GLY A 65 5.440 -11.861 7.947 1.00 0.00 O ATOM 0 H GLY A 65 2.459 -11.139 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.864 -10.569 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.206 -12.267 10.565 1.00 0.00 H new ATOM 927 N GLN A 66 3.200 -11.997 8.117 1.00 0.00 N ATOM 928 CA GLN A 66 2.997 -12.246 6.694 1.00 0.00 C ATOM 929 C GLN A 66 2.532 -10.980 5.981 1.00 0.00 C ATOM 930 O GLN A 66 1.974 -10.075 6.602 1.00 0.00 O ATOM 931 CB GLN A 66 1.975 -13.365 6.491 1.00 0.00 C ATOM 932 CG GLN A 66 2.153 -14.533 7.448 1.00 0.00 C ATOM 933 CD GLN A 66 1.469 -15.795 6.962 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.307 -16.047 7.280 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.189 -16.598 6.186 1.00 0.00 N ATOM 0 H GLN A 66 2.342 -11.969 8.667 1.00 0.00 H new ATOM 0 HA GLN A 66 3.951 -12.553 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.972 -12.956 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.048 -13.731 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.217 -14.729 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.754 -14.261 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.149 -16.350 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.782 -17.462 5.829 1.00 0.00 H new ATOM 944 N PHE A 67 2.765 -10.924 4.674 1.00 0.00 N ATOM 945 CA PHE A 67 2.370 -9.768 3.877 1.00 0.00 C ATOM 946 C PHE A 67 0.963 -9.949 3.316 1.00 0.00 C ATOM 947 O PHE A 67 0.624 -11.009 2.789 1.00 0.00 O ATOM 948 CB PHE A 67 3.362 -9.548 2.733 1.00 0.00 C ATOM 949 CG PHE A 67 4.654 -8.920 3.173 1.00 0.00 C ATOM 950 CD1 PHE A 67 4.693 -7.596 3.578 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.829 -9.654 3.181 1.00 0.00 C ATOM 952 CE1 PHE A 67 5.880 -7.015 3.982 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.020 -9.079 3.584 1.00 0.00 C ATOM 954 CZ PHE A 67 7.045 -7.758 3.986 1.00 0.00 C ATOM 0 H PHE A 67 3.225 -11.665 4.144 1.00 0.00 H new ATOM 0 HA PHE A 67 2.374 -8.892 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.576 -10.506 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.898 -8.914 1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.785 -7.011 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.814 -10.688 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.897 -5.981 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.929 -9.662 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.973 -7.306 4.303 1.00 0.00 H new ATOM 964 N TYR A 68 0.147 -8.908 3.435 1.00 0.00 N ATOM 965 CA TYR A 68 -1.225 -8.951 2.943 1.00 0.00 C ATOM 966 C TYR A 68 -1.480 -7.831 1.939 1.00 0.00 C ATOM 967 O TYR A 68 -0.632 -6.963 1.733 1.00 0.00 O ATOM 968 CB TYR A 68 -2.210 -8.841 4.108 1.00 0.00 C ATOM 969 CG TYR A 68 -2.103 -9.977 5.101 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.978 -10.122 5.902 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.129 -10.904 5.239 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.876 -11.158 6.810 1.00 0.00 C ATOM 973 CE2 TYR A 68 -3.037 -11.943 6.145 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.908 -12.066 6.928 1.00 0.00 C ATOM 975 OH TYR A 68 -1.811 -13.099 7.832 1.00 0.00 O ATOM 0 H TYR A 68 0.412 -8.023 3.868 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.373 -9.906 2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.041 -7.898 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.225 -8.810 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.169 -9.412 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.014 -10.811 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.007 -11.257 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.844 -12.654 6.240 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.622 -13.647 7.791 1.00 0.00 H new ATOM 985 N TRP A 69 -2.654 -7.858 1.320 1.00 0.00 N ATOM 986 CA TRP A 69 -3.023 -6.845 0.337 1.00 0.00 C ATOM 987 C TRP A 69 -4.097 -5.915 0.891 1.00 0.00 C ATOM 988 O TRP A 69 -5.110 -6.370 1.424 1.00 0.00 O ATOM 989 CB TRP A 69 -3.518 -7.509 -0.949 1.00 0.00 C ATOM 990 CG TRP A 69 -2.415 -8.093 -1.779 1.00 0.00 C ATOM 991 CD1 TRP A 69 -2.270 -9.400 -2.145 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.303 -7.390 -2.344 1.00 0.00 C ATOM 993 NE1 TRP A 69 -1.134 -9.553 -2.903 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.524 -8.334 -3.040 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.891 -6.055 -2.331 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.643 -7.983 -3.715 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.267 -5.708 -3.000 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.022 -6.669 -3.685 1.00 0.00 C ATOM 0 H TRP A 69 -3.367 -8.570 1.481 1.00 0.00 H new ATOM 0 HA TRP A 69 -2.137 -6.252 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.226 -8.297 -0.693 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -4.060 -6.774 -1.544 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.948 -10.197 -1.878 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.799 -10.431 -3.299 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.468 -5.307 -1.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.228 -8.722 -4.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.596 -4.679 -2.995 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.922 -6.366 -4.200 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.871 -4.613 0.760 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.821 -3.619 1.247 1.00 0.00 C ATOM 1011 C ASP A 70 -6.021 -3.512 0.312 1.00 0.00 C ATOM 1012 O ASP A 70 -5.908 -3.006 -0.805 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.141 -2.256 1.383 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.039 -1.224 2.035 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.150 -0.990 1.516 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.631 -0.650 3.067 1.00 0.00 O ATOM 0 H ASP A 70 -3.038 -4.221 0.321 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.174 -3.939 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.230 -2.365 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.842 -1.902 0.396 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.170 -3.993 0.775 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.391 -3.953 -0.021 1.00 0.00 C ATOM 1023 C ARG A 71 -9.427 -3.033 0.618 1.00 0.00 C ATOM 1024 O ARG A 71 -10.631 -3.225 0.451 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.971 -5.360 -0.176 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.055 -6.317 -0.921 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.318 -6.287 -2.419 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.792 -7.472 -3.091 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.873 -7.671 -4.402 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.457 -6.767 -5.177 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.371 -8.774 -4.940 1.00 0.00 N ATOM 0 H ARG A 71 -7.281 -4.415 1.697 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.139 -3.560 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.182 -5.768 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.922 -5.296 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.015 -6.052 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.201 -7.330 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.391 -6.216 -2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.863 -5.395 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.337 -8.186 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.845 -5.917 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.518 -6.921 -6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.922 -9.472 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.434 -8.925 -5.947 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.950 -2.031 1.352 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.847 -1.097 2.005 1.00 0.00 C ATOM 1047 C GLY A 72 -9.592 -0.994 3.496 1.00 0.00 C ATOM 1048 O GLY A 72 -8.552 -1.435 3.985 1.00 0.00 O ATOM 0 H GLY A 72 -7.958 -1.850 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.734 -0.112 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.878 -1.410 1.837 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.541 -0.408 4.218 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.412 -0.247 5.661 1.00 0.00 C ATOM 1054 C GLN A 73 -11.069 -1.408 6.400 1.00 0.00 C ATOM 1055 O GLN A 73 -10.428 -2.094 7.195 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.039 1.076 6.106 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.800 1.401 7.571 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.565 2.626 8.030 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -12.496 3.077 7.362 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -11.177 3.172 9.177 1.00 0.00 N ATOM 0 H GLN A 73 -11.407 -0.037 3.828 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.350 -0.239 5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.637 1.883 5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.113 1.040 5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.091 0.546 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.734 1.561 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.400 2.765 9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.656 3.998 9.536 1.00 0.00 H new ATOM 1069 N GLY A 74 -12.354 -1.622 6.132 1.00 0.00 N ATOM 1070 CA GLY A 74 -13.077 -2.701 6.780 1.00 0.00 C ATOM 1071 C GLY A 74 -13.155 -3.946 5.919 1.00 0.00 C ATOM 1072 O GLY A 74 -13.856 -4.900 6.258 1.00 0.00 O ATOM 0 H GLY A 74 -12.907 -1.068 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.589 -2.946 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.086 -2.365 7.020 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.437 -3.936 4.801 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.429 -5.073 3.889 1.00 0.00 C ATOM 1078 C ILE A 75 -11.417 -6.125 4.330 1.00 0.00 C ATOM 1079 O ILE A 75 -10.358 -5.797 4.863 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.104 -4.636 2.448 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -12.946 -3.419 2.059 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.344 -5.785 1.480 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.426 -3.603 2.309 1.00 0.00 C ATOM 0 H ILE A 75 -11.854 -3.153 4.505 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.430 -5.504 3.913 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.052 -4.357 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.596 -2.552 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.789 -3.201 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.110 -5.461 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.705 -6.626 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.389 -6.092 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -14.960 -2.701 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.791 -4.450 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.595 -3.790 3.369 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.749 -7.391 4.101 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.869 -8.492 4.474 1.00 0.00 C ATOM 1097 C ASN A 76 -9.627 -8.519 3.588 1.00 0.00 C ATOM 1098 O ASN A 76 -9.709 -8.615 2.363 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.612 -9.825 4.369 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.831 -9.880 5.269 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -13.962 -9.989 4.795 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -12.606 -9.803 6.575 1.00 0.00 N ATOM 0 H ASN A 76 -12.621 -7.680 3.659 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.555 -8.339 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.919 -9.986 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.934 -10.637 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.387 -9.833 7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.652 -9.713 6.924 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.447 -8.433 4.221 1.00 0.00 N ATOM 1110 CA PRO A 77 -7.165 -8.446 3.510 1.00 0.00 C ATOM 1111 C PRO A 77 -6.852 -9.810 2.905 1.00 0.00 C ATOM 1112 O PRO A 77 -7.300 -10.840 3.408 1.00 0.00 O ATOM 1113 CB PRO A 77 -6.150 -8.100 4.603 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.798 -8.532 5.872 1.00 0.00 C ATOM 1115 CD PRO A 77 -8.274 -8.316 5.678 1.00 0.00 C ATOM 0 HA PRO A 77 -7.158 -7.753 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.205 -8.619 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.929 -7.033 4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.581 -9.579 6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.426 -7.952 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.863 -9.061 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.588 -7.338 6.043 1.00 0.00 H new ATOM 1123 N ASP A 78 -6.080 -9.809 1.824 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.705 -11.047 1.150 1.00 0.00 C ATOM 1125 C ASP A 78 -4.228 -11.359 1.369 1.00 0.00 C ATOM 1126 O ASP A 78 -3.375 -10.476 1.271 1.00 0.00 O ATOM 1127 CB ASP A 78 -6.002 -10.949 -0.347 1.00 0.00 C ATOM 1128 CG ASP A 78 -6.251 -12.305 -0.978 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -6.985 -13.115 -0.374 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -5.712 -12.555 -2.076 1.00 0.00 O ATOM 0 H ASP A 78 -5.701 -8.964 1.395 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.296 -11.857 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.875 -10.314 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.164 -10.466 -0.850 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.933 -12.620 1.667 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.558 -13.049 1.901 1.00 0.00 C ATOM 1137 C LEU A 79 -1.779 -13.117 0.592 1.00 0.00 C ATOM 1138 O LEU A 79 -2.236 -13.711 -0.386 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.540 -14.414 2.590 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.235 -14.795 3.290 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.150 -15.097 2.268 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.790 -13.685 4.231 1.00 0.00 C ATOM 0 H LEU A 79 -4.627 -13.363 1.752 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.079 -12.315 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.344 -14.438 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.766 -15.177 1.846 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.411 -15.695 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.771 -15.366 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.467 -15.926 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.024 -14.216 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.140 -13.974 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.632 -12.768 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.559 -13.517 4.985 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.599 -12.506 0.579 1.00 0.00 N ATOM 1155 CA LEU A 80 0.246 -12.498 -0.609 1.00 0.00 C ATOM 1156 C LEU A 80 0.781 -13.896 -0.906 1.00 0.00 C ATOM 1157 O LEU A 80 1.763 -14.335 -0.309 1.00 0.00 O ATOM 1158 CB LEU A 80 1.410 -11.523 -0.426 1.00 0.00 C ATOM 1159 CG LEU A 80 2.523 -11.601 -1.471 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.185 -10.737 -2.676 1.00 0.00 C ATOM 1161 CD2 LEU A 80 3.854 -11.178 -0.866 1.00 0.00 C ATOM 0 H LEU A 80 -0.206 -12.010 1.379 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.362 -12.174 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.011 -10.509 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.849 -11.694 0.557 1.00 0.00 H new ATOM 0 HG LEU A 80 2.610 -12.635 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.989 -10.805 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.254 -11.085 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.069 -9.700 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.634 -11.240 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.780 -10.152 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.102 -11.838 -0.035 1.00 0.00 H new ATOM 1173 N ASN A 81 0.129 -14.589 -1.834 1.00 0.00 N ATOM 1174 CA ASN A 81 0.540 -15.936 -2.211 1.00 0.00 C ATOM 1175 C ASN A 81 0.755 -16.037 -3.719 1.00 0.00 C ATOM 1176 O ASN A 81 0.482 -17.072 -4.326 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.509 -16.956 -1.765 1.00 0.00 C ATOM 1178 CG ASN A 81 0.089 -18.324 -1.501 1.00 0.00 C ATOM 1179 OD1 ASN A 81 1.006 -18.467 -0.692 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -0.428 -19.338 -2.184 1.00 0.00 N ATOM 0 H ASN A 81 -0.686 -14.240 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 81 1.484 -16.154 -1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.000 -16.596 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.278 -17.041 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.066 -20.282 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.188 -19.173 -2.845 1.00 0.00 H new ATOM 1187 N GLN A 82 1.246 -14.956 -4.315 1.00 0.00 N ATOM 1188 CA GLN A 82 1.497 -14.923 -5.751 1.00 0.00 C ATOM 1189 C GLN A 82 2.887 -15.462 -6.072 1.00 0.00 C ATOM 1190 O GLN A 82 3.854 -15.226 -5.348 1.00 0.00 O ATOM 1191 CB GLN A 82 1.355 -13.496 -6.282 1.00 0.00 C ATOM 1192 CG GLN A 82 2.297 -12.503 -5.620 1.00 0.00 C ATOM 1193 CD GLN A 82 1.996 -11.068 -6.003 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.844 -10.634 -5.976 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.034 -10.321 -6.364 1.00 0.00 N ATOM 0 H GLN A 82 1.478 -14.091 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 82 0.759 -15.559 -6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.539 -13.497 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.328 -13.163 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.227 -12.608 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.324 -12.741 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.972 -10.721 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.893 -9.347 -6.633 1.00 0.00 H new ATOM 1204 N PRO A 83 2.992 -16.204 -7.185 1.00 0.00 N ATOM 1205 CA PRO A 83 4.259 -16.793 -7.628 1.00 0.00 C ATOM 1206 C PRO A 83 5.246 -15.740 -8.120 1.00 0.00 C ATOM 1207 O PRO A 83 6.459 -15.949 -8.087 1.00 0.00 O ATOM 1208 CB PRO A 83 3.841 -17.712 -8.778 1.00 0.00 C ATOM 1209 CG PRO A 83 2.571 -17.125 -9.290 1.00 0.00 C ATOM 1210 CD PRO A 83 1.880 -16.526 -8.096 1.00 0.00 C ATOM 0 HA PRO A 83 4.774 -17.309 -6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.604 -17.745 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.693 -18.735 -8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.769 -16.366 -10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.949 -17.888 -9.758 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.311 -15.636 -8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.180 -17.228 -7.643 1.00 0.00 H new ATOM 1218 N ILE A 84 4.719 -14.608 -8.576 1.00 0.00 N ATOM 1219 CA ILE A 84 5.554 -13.523 -9.074 1.00 0.00 C ATOM 1220 C ILE A 84 5.710 -12.425 -8.027 1.00 0.00 C ATOM 1221 O ILE A 84 4.728 -11.966 -7.441 1.00 0.00 O ATOM 1222 CB ILE A 84 4.973 -12.910 -10.362 1.00 0.00 C ATOM 1223 CG1 ILE A 84 4.925 -13.959 -11.475 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.798 -11.707 -10.795 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.282 -13.458 -12.749 1.00 0.00 C ATOM 0 H ILE A 84 3.717 -14.419 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 84 6.531 -13.953 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 84 3.956 -12.574 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.940 -14.290 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.376 -14.830 -11.119 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.375 -11.285 -11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.785 -10.954 -10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.825 -12.019 -10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.282 -14.254 -13.494 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.256 -13.154 -12.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.844 -12.605 -13.129 1.00 0.00 H new ATOM 1237 N THR A 85 6.950 -12.005 -7.797 1.00 0.00 N ATOM 1238 CA THR A 85 7.235 -10.960 -6.822 1.00 0.00 C ATOM 1239 C THR A 85 8.261 -9.970 -7.361 1.00 0.00 C ATOM 1240 O THR A 85 8.913 -10.226 -8.373 1.00 0.00 O ATOM 1241 CB THR A 85 7.756 -11.553 -5.499 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.825 -12.469 -5.760 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.641 -12.267 -4.750 1.00 0.00 C ATOM 0 H THR A 85 7.774 -12.373 -8.273 1.00 0.00 H new ATOM 0 HA THR A 85 6.296 -10.439 -6.633 1.00 0.00 H new ATOM 0 HB THR A 85 8.123 -10.735 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.152 -12.840 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.033 -12.677 -3.819 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.842 -11.560 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.248 -13.076 -5.366 1.00 0.00 H new ATOM 1251 N TYR A 86 8.400 -8.839 -6.678 1.00 0.00 N ATOM 1252 CA TYR A 86 9.346 -7.809 -7.090 1.00 0.00 C ATOM 1253 C TYR A 86 10.310 -7.470 -5.956 1.00 0.00 C ATOM 1254 O TYR A 86 11.076 -6.511 -6.044 1.00 0.00 O ATOM 1255 CB TYR A 86 8.600 -6.549 -7.533 1.00 0.00 C ATOM 1256 CG TYR A 86 7.531 -6.812 -8.569 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.854 -6.924 -9.916 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.198 -6.947 -8.203 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.881 -7.163 -10.867 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.218 -7.188 -9.146 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.564 -7.295 -10.477 1.00 0.00 C ATOM 1262 OH TYR A 86 4.591 -7.533 -11.420 1.00 0.00 O ATOM 0 H TYR A 86 7.870 -8.612 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 86 9.922 -8.196 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.142 -6.082 -6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.318 -5.835 -7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.884 -6.822 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.923 -6.862 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.150 -7.246 -11.910 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.187 -7.292 -8.843 1.00 0.00 H new ATOM 0 HH TYR A 86 3.755 -7.102 -11.144 1.00 0.00 H new ATOM 1272 N TRP A 87 10.265 -8.265 -4.894 1.00 0.00 N ATOM 1273 CA TRP A 87 11.135 -8.052 -3.742 1.00 0.00 C ATOM 1274 C TRP A 87 12.511 -7.564 -4.183 1.00 0.00 C ATOM 1275 O TRP A 87 13.092 -8.091 -5.131 1.00 0.00 O ATOM 1276 CB TRP A 87 11.272 -9.343 -2.934 1.00 0.00 C ATOM 1277 CG TRP A 87 10.015 -9.730 -2.216 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.364 -10.929 -2.291 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.257 -8.916 -1.315 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.247 -10.908 -1.492 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.159 -9.685 -0.881 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.399 -7.613 -0.831 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.211 -9.191 0.011 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.457 -7.124 0.054 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.375 -7.912 0.469 1.00 0.00 C ATOM 0 H TRP A 87 9.636 -9.063 -4.806 1.00 0.00 H new ATOM 0 HA TRP A 87 10.683 -7.286 -3.113 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.564 -10.153 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.076 -9.225 -2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.681 -11.770 -2.890 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.589 -11.678 -1.373 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.231 -6.999 -1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.375 -9.796 0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.556 -6.117 0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.657 -7.502 1.164 1.00 0.00 H new ATOM 1296 N ALA A 88 13.026 -6.555 -3.488 1.00 0.00 N ATOM 1297 CA ALA A 88 14.335 -5.999 -3.806 1.00 0.00 C ATOM 1298 C ALA A 88 15.446 -6.995 -3.494 1.00 0.00 C ATOM 1299 O ALA A 88 15.185 -8.107 -3.038 1.00 0.00 O ATOM 1300 CB ALA A 88 14.557 -4.701 -3.043 1.00 0.00 C ATOM 0 H ALA A 88 12.557 -6.106 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 88 14.362 -5.788 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.539 -4.297 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.788 -3.980 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.504 -4.895 -1.972 1.00 0.00 H new ATOM 1306 N ASN A 89 16.687 -6.589 -3.744 1.00 0.00 N ATOM 1307 CA ASN A 89 17.838 -7.448 -3.490 1.00 0.00 C ATOM 1308 C ASN A 89 17.976 -7.747 -2.001 1.00 0.00 C ATOM 1309 O ASN A 89 18.579 -6.976 -1.255 1.00 0.00 O ATOM 1310 CB ASN A 89 19.117 -6.788 -4.010 1.00 0.00 C ATOM 1311 CG ASN A 89 19.401 -5.463 -3.331 1.00 0.00 C ATOM 1312 OD1 ASN A 89 18.538 -4.900 -2.657 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.616 -4.957 -3.506 1.00 0.00 N ATOM 0 H ASN A 89 16.921 -5.671 -4.122 1.00 0.00 H new ATOM 0 HA ASN A 89 17.682 -8.389 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.960 -7.461 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.030 -6.631 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.865 -4.067 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 89 21.300 -5.458 -4.073 1.00 0.00 H new ATOM 1320 N GLY A 90 17.413 -8.873 -1.574 1.00 0.00 N ATOM 1321 CA GLY A 90 17.484 -9.255 -0.176 1.00 0.00 C ATOM 1322 C GLY A 90 16.180 -9.016 0.558 1.00 0.00 C ATOM 1323 O GLY A 90 16.148 -8.992 1.788 1.00 0.00 O ATOM 0 H GLY A 90 16.909 -9.528 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.750 -10.310 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.280 -8.692 0.311 1.00 0.00 H new ATOM 1327 N GLU A 91 15.101 -8.838 -0.199 1.00 0.00 N ATOM 1328 CA GLU A 91 13.788 -8.597 0.389 1.00 0.00 C ATOM 1329 C GLU A 91 12.916 -9.847 0.303 1.00 0.00 C ATOM 1330 O GLU A 91 13.098 -10.703 -0.563 1.00 0.00 O ATOM 1331 CB GLU A 91 13.096 -7.429 -0.317 1.00 0.00 C ATOM 1332 CG GLU A 91 13.446 -6.071 0.268 1.00 0.00 C ATOM 1333 CD GLU A 91 12.487 -5.643 1.362 1.00 0.00 C ATOM 1334 OE1 GLU A 91 11.261 -5.740 1.148 1.00 0.00 O ATOM 1335 OE2 GLU A 91 12.963 -5.211 2.433 1.00 0.00 O ATOM 0 H GLU A 91 15.110 -8.856 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 91 13.929 -8.345 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.367 -7.441 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.017 -7.571 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.459 -6.103 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.441 -5.325 -0.527 1.00 0.00 H new ATOM 1342 N PRO A 92 11.946 -9.955 1.223 1.00 0.00 N ATOM 1343 CA PRO A 92 11.721 -8.942 2.258 1.00 0.00 C ATOM 1344 C PRO A 92 12.837 -8.916 3.297 1.00 0.00 C ATOM 1345 O PRO A 92 13.382 -9.958 3.662 1.00 0.00 O ATOM 1346 CB PRO A 92 10.402 -9.380 2.902 1.00 0.00 C ATOM 1347 CG PRO A 92 10.327 -10.846 2.651 1.00 0.00 C ATOM 1348 CD PRO A 92 10.995 -11.074 1.323 1.00 0.00 C ATOM 0 HA PRO A 92 11.696 -7.934 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.390 -9.160 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.553 -8.859 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.830 -11.403 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.292 -11.186 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.503 -12.038 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.275 -11.064 0.504 1.00 0.00 H new ATOM 1356 N SER A 93 13.173 -7.720 3.768 1.00 0.00 N ATOM 1357 CA SER A 93 14.227 -7.558 4.763 1.00 0.00 C ATOM 1358 C SER A 93 13.801 -8.143 6.106 1.00 0.00 C ATOM 1359 O SER A 93 12.626 -8.102 6.468 1.00 0.00 O ATOM 1360 CB SER A 93 14.580 -6.079 4.927 1.00 0.00 C ATOM 1361 OG SER A 93 15.910 -5.920 5.390 1.00 0.00 O ATOM 0 H SER A 93 12.731 -6.848 3.477 1.00 0.00 H new ATOM 0 HA SER A 93 15.108 -8.098 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.460 -5.565 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.889 -5.613 5.629 1.00 0.00 H new ATOM 0 HG SER A 93 16.111 -4.966 5.485 1.00 0.00 H new ATOM 1367 N ASN A 94 14.766 -8.686 6.840 1.00 0.00 N ATOM 1368 CA ASN A 94 14.493 -9.281 8.144 1.00 0.00 C ATOM 1369 C ASN A 94 14.553 -8.227 9.245 1.00 0.00 C ATOM 1370 O ASN A 94 15.021 -8.497 10.352 1.00 0.00 O ATOM 1371 CB ASN A 94 15.493 -10.400 8.438 1.00 0.00 C ATOM 1372 CG ASN A 94 15.043 -11.294 9.576 1.00 0.00 C ATOM 1373 OD1 ASN A 94 14.691 -12.533 9.252 1.00 0.00 O flip ATOM 1374 ND2 ASN A 94 15.012 -10.876 10.734 1.00 0.00 N flip ATOM 0 H ASN A 94 15.744 -8.727 6.555 1.00 0.00 H new ATOM 0 HA ASN A 94 13.487 -9.700 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.634 -11.002 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.461 -9.963 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.291 -9.916 10.937 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.707 -11.489 11.490 1.00 0.00 H new ATOM 1381 N ASP A 95 14.078 -7.026 8.935 1.00 0.00 N ATOM 1382 CA ASP A 95 14.076 -5.932 9.898 1.00 0.00 C ATOM 1383 C ASP A 95 12.741 -5.856 10.632 1.00 0.00 C ATOM 1384 O ASP A 95 11.674 -5.778 10.024 1.00 0.00 O ATOM 1385 CB ASP A 95 14.361 -4.604 9.195 1.00 0.00 C ATOM 1386 CG ASP A 95 15.021 -3.593 10.112 1.00 0.00 C ATOM 1387 OD1 ASP A 95 14.527 -3.408 11.243 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.031 -2.986 9.698 1.00 0.00 O ATOM 0 H ASP A 95 13.689 -6.785 8.023 1.00 0.00 H new ATOM 0 HA ASP A 95 14.862 -6.124 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.004 -4.783 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.427 -4.190 8.815 1.00 0.00 H new ATOM 1393 N PRO A 96 12.799 -5.881 11.972 1.00 0.00 N ATOM 1394 CA PRO A 96 11.604 -5.816 12.818 1.00 0.00 C ATOM 1395 C PRO A 96 10.936 -4.446 12.775 1.00 0.00 C ATOM 1396 O PRO A 96 9.733 -4.322 13.008 1.00 0.00 O ATOM 1397 CB PRO A 96 12.146 -6.103 14.221 1.00 0.00 C ATOM 1398 CG PRO A 96 13.575 -5.687 14.167 1.00 0.00 C ATOM 1399 CD PRO A 96 14.037 -5.973 12.764 1.00 0.00 C ATOM 0 HA PRO A 96 10.836 -6.517 12.491 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.599 -5.543 14.979 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.050 -7.159 14.474 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.683 -4.629 14.405 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.170 -6.240 14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.782 -5.250 12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.493 -6.960 12.684 1.00 0.00 H new ATOM 1407 N THR A 97 11.724 -3.418 12.475 1.00 0.00 N ATOM 1408 CA THR A 97 11.209 -2.056 12.402 1.00 0.00 C ATOM 1409 C THR A 97 10.385 -1.847 11.137 1.00 0.00 C ATOM 1410 O THR A 97 9.286 -1.294 11.185 1.00 0.00 O ATOM 1411 CB THR A 97 12.350 -1.022 12.435 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.204 -1.198 11.298 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.165 -1.155 13.712 1.00 0.00 C ATOM 0 H THR A 97 12.721 -3.503 12.279 1.00 0.00 H new ATOM 0 HA THR A 97 10.572 -1.911 13.275 1.00 0.00 H new ATOM 0 HB THR A 97 11.908 -0.026 12.407 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.834 -1.928 11.472 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.965 -0.414 13.712 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.519 -0.992 14.575 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.596 -2.155 13.766 1.00 0.00 H new ATOM 1421 N ARG A 98 10.922 -2.294 10.006 1.00 0.00 N ATOM 1422 CA ARG A 98 10.236 -2.155 8.727 1.00 0.00 C ATOM 1423 C ARG A 98 9.220 -3.276 8.531 1.00 0.00 C ATOM 1424 O ARG A 98 9.586 -4.447 8.429 1.00 0.00 O ATOM 1425 CB ARG A 98 11.246 -2.160 7.579 1.00 0.00 C ATOM 1426 CG ARG A 98 12.494 -1.339 7.861 1.00 0.00 C ATOM 1427 CD ARG A 98 13.697 -1.876 7.102 1.00 0.00 C ATOM 1428 NE ARG A 98 13.675 -1.486 5.695 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.753 -1.471 4.919 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.933 -1.824 5.412 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.653 -1.104 3.648 1.00 0.00 N ATOM 0 H ARG A 98 11.830 -2.755 9.950 1.00 0.00 H new ATOM 0 HA ARG A 98 9.705 -1.203 8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.538 -3.189 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.764 -1.775 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.319 -0.301 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.703 -1.349 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.612 -1.508 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.717 -2.963 7.177 1.00 0.00 H new ATOM 0 HE ARG A 98 12.783 -1.210 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.014 -2.108 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.760 -1.812 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.747 -0.833 3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.482 -1.093 3.054 1.00 0.00 H new ATOM 1445 N GLN A 99 7.943 -2.910 8.479 1.00 0.00 N ATOM 1446 CA GLN A 99 6.875 -3.885 8.296 1.00 0.00 C ATOM 1447 C GLN A 99 6.088 -3.598 7.022 1.00 0.00 C ATOM 1448 O GLN A 99 5.646 -4.517 6.332 1.00 0.00 O ATOM 1449 CB GLN A 99 5.936 -3.877 9.503 1.00 0.00 C ATOM 1450 CG GLN A 99 6.655 -3.708 10.832 1.00 0.00 C ATOM 1451 CD GLN A 99 5.918 -4.364 11.982 1.00 0.00 C ATOM 1452 OE1 GLN A 99 6.238 -5.484 12.382 1.00 0.00 O ATOM 1453 NE2 GLN A 99 4.923 -3.669 12.522 1.00 0.00 N ATOM 0 H GLN A 99 7.623 -1.945 8.561 1.00 0.00 H new ATOM 0 HA GLN A 99 7.330 -4.871 8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.213 -3.070 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.372 -4.810 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.655 -4.134 10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.776 -2.645 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.691 -2.744 12.159 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.391 -4.060 13.299 1.00 0.00 H new ATOM 1462 N CYS A 100 5.914 -2.316 6.716 1.00 0.00 N ATOM 1463 CA CYS A 100 5.179 -1.906 5.526 1.00 0.00 C ATOM 1464 C CYS A 100 6.101 -1.842 4.312 1.00 0.00 C ATOM 1465 O CYS A 100 7.288 -1.538 4.436 1.00 0.00 O ATOM 1466 CB CYS A 100 4.519 -0.544 5.752 1.00 0.00 C ATOM 1467 SG CYS A 100 3.344 -0.510 7.144 1.00 0.00 S ATOM 0 H CYS A 100 6.273 -1.543 7.277 1.00 0.00 H new ATOM 0 HA CYS A 100 4.405 -2.649 5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.296 0.200 5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.996 -0.250 4.842 1.00 0.00 H new ATOM 1472 N VAL A 101 5.547 -2.129 3.139 1.00 0.00 N ATOM 1473 CA VAL A 101 6.319 -2.102 1.902 1.00 0.00 C ATOM 1474 C VAL A 101 5.921 -0.915 1.031 1.00 0.00 C ATOM 1475 O VAL A 101 4.751 -0.536 0.979 1.00 0.00 O ATOM 1476 CB VAL A 101 6.132 -3.401 1.096 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.032 -3.403 -0.131 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.408 -4.615 1.971 1.00 0.00 C ATOM 0 H VAL A 101 4.566 -2.383 3.019 1.00 0.00 H new ATOM 0 HA VAL A 101 7.367 -2.006 2.185 1.00 0.00 H new ATOM 0 HB VAL A 101 5.097 -3.452 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.886 -4.329 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.782 -2.554 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.074 -3.328 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.271 -5.524 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.433 -4.572 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.718 -4.620 2.815 1.00 0.00 H new ATOM 1488 N TYR A 102 6.901 -0.334 0.350 1.00 0.00 N ATOM 1489 CA TYR A 102 6.654 0.812 -0.518 1.00 0.00 C ATOM 1490 C TYR A 102 7.310 0.614 -1.881 1.00 0.00 C ATOM 1491 O TYR A 102 8.451 0.160 -1.974 1.00 0.00 O ATOM 1492 CB TYR A 102 7.179 2.093 0.132 1.00 0.00 C ATOM 1493 CG TYR A 102 8.683 2.230 0.073 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.303 2.834 -1.015 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.486 1.755 1.103 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.677 2.960 -1.074 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.861 1.879 1.053 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.452 2.482 -0.038 1.00 0.00 C ATOM 1499 OH TYR A 102 12.821 2.606 -0.092 1.00 0.00 O ATOM 0 H TYR A 102 7.874 -0.637 0.382 1.00 0.00 H new ATOM 0 HA TYR A 102 5.577 0.901 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.725 2.953 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.861 2.118 1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.700 3.211 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.027 1.280 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.142 3.431 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.470 1.506 1.863 1.00 0.00 H new ATOM 0 HH TYR A 102 13.168 2.079 -0.842 1.00 0.00 H new ATOM 1509 N PHE A 103 6.581 0.960 -2.937 1.00 0.00 N ATOM 1510 CA PHE A 103 7.090 0.821 -4.296 1.00 0.00 C ATOM 1511 C PHE A 103 8.351 1.658 -4.493 1.00 0.00 C ATOM 1512 O PHE A 103 8.277 2.848 -4.801 1.00 0.00 O ATOM 1513 CB PHE A 103 6.022 1.241 -5.309 1.00 0.00 C ATOM 1514 CG PHE A 103 6.276 0.725 -6.696 1.00 0.00 C ATOM 1515 CD1 PHE A 103 5.842 -0.537 -7.070 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.947 1.501 -7.627 1.00 0.00 C ATOM 1517 CE1 PHE A 103 6.075 -1.015 -8.346 1.00 0.00 C ATOM 1518 CE2 PHE A 103 7.183 1.029 -8.904 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.745 -0.230 -9.264 1.00 0.00 C ATOM 0 H PHE A 103 5.636 1.339 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 103 7.342 -0.227 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.050 0.884 -4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.969 2.329 -5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.316 -1.154 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.290 2.487 -7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 103 5.734 -2.001 -8.625 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.709 1.644 -9.619 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.926 -0.601 -10.262 1.00 0.00 H new ATOM 1529 N ASP A 104 9.506 1.028 -4.312 1.00 0.00 N ATOM 1530 CA ASP A 104 10.783 1.713 -4.470 1.00 0.00 C ATOM 1531 C ASP A 104 11.099 1.942 -5.945 1.00 0.00 C ATOM 1532 O ASP A 104 11.683 1.085 -6.606 1.00 0.00 O ATOM 1533 CB ASP A 104 11.904 0.904 -3.816 1.00 0.00 C ATOM 1534 CG ASP A 104 13.044 1.780 -3.332 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.276 2.844 -3.944 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.704 1.401 -2.342 1.00 0.00 O ATOM 0 H ASP A 104 9.584 0.044 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 104 10.710 2.683 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.499 0.342 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.287 0.176 -4.531 1.00 0.00 H new ATOM 1541 N GLY A 105 10.707 3.106 -6.455 1.00 0.00 N ATOM 1542 CA GLY A 105 10.955 3.426 -7.849 1.00 0.00 C ATOM 1543 C GLY A 105 12.409 3.761 -8.116 1.00 0.00 C ATOM 1544 O GLY A 105 12.965 3.366 -9.141 1.00 0.00 O ATOM 0 H GLY A 105 10.222 3.833 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.660 2.581 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.331 4.270 -8.142 1.00 0.00 H new ATOM 1602 N LYS A 110 13.273 -2.021 -11.613 1.00 0.00 N ATOM 1603 CA LYS A 110 11.832 -2.148 -11.431 1.00 0.00 C ATOM 1604 C LYS A 110 11.481 -3.480 -10.775 1.00 0.00 C ATOM 1605 O LYS A 110 10.489 -3.586 -10.055 1.00 0.00 O ATOM 1606 CB LYS A 110 11.114 -2.025 -12.776 1.00 0.00 C ATOM 1607 CG LYS A 110 11.635 -2.982 -13.834 1.00 0.00 C ATOM 1608 CD LYS A 110 10.687 -3.077 -15.017 1.00 0.00 C ATOM 1609 CE LYS A 110 9.595 -4.108 -14.775 1.00 0.00 C ATOM 1610 NZ LYS A 110 10.004 -5.467 -15.225 1.00 0.00 N ATOM 0 HA LYS A 110 11.502 -1.342 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.049 -2.205 -12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.216 -1.003 -13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.614 -2.648 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.771 -3.971 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.234 -2.103 -15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.247 -3.343 -15.913 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.351 -4.136 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.690 -3.808 -15.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.232 -6.140 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.213 -5.447 -16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.853 -5.764 -14.704 1.00 0.00 H new ATOM 1624 N SER A 111 12.302 -4.494 -11.029 1.00 0.00 N ATOM 1625 CA SER A 111 12.078 -5.820 -10.466 1.00 0.00 C ATOM 1626 C SER A 111 12.507 -5.868 -9.003 1.00 0.00 C ATOM 1627 O SER A 111 12.310 -6.872 -8.318 1.00 0.00 O ATOM 1628 CB SER A 111 12.842 -6.874 -11.268 1.00 0.00 C ATOM 1629 OG SER A 111 14.241 -6.667 -11.181 1.00 0.00 O ATOM 0 H SER A 111 13.129 -4.422 -11.622 1.00 0.00 H new ATOM 0 HA SER A 111 11.011 -6.035 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.595 -7.868 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.530 -6.838 -12.312 1.00 0.00 H new ATOM 0 HG SER A 111 14.706 -7.355 -11.701 1.00 0.00 H new ATOM 1635 N LYS A 112 13.094 -4.775 -8.529 1.00 0.00 N ATOM 1636 CA LYS A 112 13.551 -4.689 -7.147 1.00 0.00 C ATOM 1637 C LYS A 112 12.984 -3.450 -6.462 1.00 0.00 C ATOM 1638 O LYS A 112 13.657 -2.814 -5.651 1.00 0.00 O ATOM 1639 CB LYS A 112 15.081 -4.659 -7.095 1.00 0.00 C ATOM 1640 CG LYS A 112 15.730 -5.969 -7.505 1.00 0.00 C ATOM 1641 CD LYS A 112 17.233 -5.939 -7.286 1.00 0.00 C ATOM 1642 CE LYS A 112 17.947 -5.223 -8.422 1.00 0.00 C ATOM 1643 NZ LYS A 112 18.132 -6.108 -9.606 1.00 0.00 N ATOM 0 H LYS A 112 13.265 -3.935 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 112 13.193 -5.571 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.443 -3.864 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.397 -4.408 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.294 -6.787 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.518 -6.168 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.455 -5.439 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.610 -6.958 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.375 -4.342 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.919 -4.872 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.622 -5.583 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.700 -6.936 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.203 -6.423 -9.952 1.00 0.00 H new ATOM 1657 N VAL A 113 11.741 -3.113 -6.793 1.00 0.00 N ATOM 1658 CA VAL A 113 11.083 -1.952 -6.207 1.00 0.00 C ATOM 1659 C VAL A 113 10.482 -2.288 -4.847 1.00 0.00 C ATOM 1660 O VAL A 113 10.443 -1.446 -3.949 1.00 0.00 O ATOM 1661 CB VAL A 113 9.971 -1.414 -7.128 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.565 -0.852 -8.411 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.958 -2.506 -7.434 1.00 0.00 C ATOM 0 H VAL A 113 11.170 -3.628 -7.464 1.00 0.00 H new ATOM 0 HA VAL A 113 11.847 -1.184 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 113 9.454 -0.606 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.765 -0.477 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.248 -0.038 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.108 -1.638 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.180 -2.108 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.458 -3.337 -7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.509 -2.856 -6.505 1.00 0.00 H new ATOM 1673 N TRP A 114 10.015 -3.523 -4.702 1.00 0.00 N ATOM 1674 CA TRP A 114 9.417 -3.971 -3.450 1.00 0.00 C ATOM 1675 C TRP A 114 10.412 -3.861 -2.300 1.00 0.00 C ATOM 1676 O TRP A 114 11.239 -4.750 -2.094 1.00 0.00 O ATOM 1677 CB TRP A 114 8.928 -5.414 -3.582 1.00 0.00 C ATOM 1678 CG TRP A 114 7.547 -5.524 -4.154 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.847 -4.545 -4.799 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.699 -6.678 -4.130 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.615 -5.020 -5.177 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.500 -6.326 -4.780 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.837 -7.973 -3.626 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.447 -7.224 -4.936 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.792 -8.863 -3.781 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.610 -8.486 -4.432 1.00 0.00 C ATOM 0 H TRP A 114 10.039 -4.231 -5.436 1.00 0.00 H new ATOM 0 HA TRP A 114 8.566 -3.325 -3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.621 -5.968 -4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.945 -5.887 -2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.209 -3.544 -4.985 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.901 -4.487 -5.673 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.745 -8.273 -3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.535 -6.935 -5.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.888 -9.867 -3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.812 -9.206 -4.538 1.00 0.00 H new ATOM 1697 N THR A 115 10.329 -2.764 -1.553 1.00 0.00 N ATOM 1698 CA THR A 115 11.223 -2.539 -0.425 1.00 0.00 C ATOM 1699 C THR A 115 10.439 -2.237 0.847 1.00 0.00 C ATOM 1700 O THR A 115 9.479 -1.466 0.829 1.00 0.00 O ATOM 1701 CB THR A 115 12.195 -1.376 -0.702 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.899 -1.608 -1.928 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.191 -1.219 0.437 1.00 0.00 C ATOM 0 H THR A 115 9.651 -2.018 -1.710 1.00 0.00 H new ATOM 0 HA THR A 115 11.795 -3.457 -0.287 1.00 0.00 H new ATOM 0 HB THR A 115 11.613 -0.458 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.298 -0.769 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.866 -0.392 0.218 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.655 -1.014 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.767 -2.138 0.546 1.00 0.00 H new ATOM 1711 N THR A 116 10.854 -2.849 1.952 1.00 0.00 N ATOM 1712 CA THR A 116 10.189 -2.647 3.233 1.00 0.00 C ATOM 1713 C THR A 116 10.682 -1.374 3.913 1.00 0.00 C ATOM 1714 O THR A 116 11.769 -0.881 3.614 1.00 0.00 O ATOM 1715 CB THR A 116 10.417 -3.841 4.179 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.819 -4.034 4.396 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.808 -5.111 3.604 1.00 0.00 C ATOM 0 H THR A 116 11.648 -3.489 1.985 1.00 0.00 H new ATOM 0 HA THR A 116 9.123 -2.556 3.025 1.00 0.00 H new ATOM 0 HB THR A 116 9.930 -3.621 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.150 -4.732 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.982 -5.940 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.736 -4.971 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.270 -5.333 2.642 1.00 0.00 H new ATOM 1725 N ASP A 117 9.876 -0.848 4.828 1.00 0.00 N ATOM 1726 CA ASP A 117 10.231 0.367 5.552 1.00 0.00 C ATOM 1727 C ASP A 117 9.252 0.625 6.693 1.00 0.00 C ATOM 1728 O ASP A 117 8.184 0.016 6.760 1.00 0.00 O ATOM 1729 CB ASP A 117 10.252 1.565 4.601 1.00 0.00 C ATOM 1730 CG ASP A 117 11.212 2.647 5.054 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.420 2.355 5.176 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.755 3.786 5.285 1.00 0.00 O ATOM 0 H ASP A 117 8.972 -1.244 5.086 1.00 0.00 H new ATOM 0 HA ASP A 117 11.226 0.231 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.533 1.228 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.248 1.983 4.525 1.00 0.00 H new ATOM 1737 N THR A 118 9.624 1.532 7.592 1.00 0.00 N ATOM 1738 CA THR A 118 8.782 1.869 8.732 1.00 0.00 C ATOM 1739 C THR A 118 7.451 2.458 8.277 1.00 0.00 C ATOM 1740 O THR A 118 7.390 3.193 7.291 1.00 0.00 O ATOM 1741 CB THR A 118 9.480 2.872 9.669 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.607 3.222 10.749 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.887 4.128 8.912 1.00 0.00 C ATOM 0 H THR A 118 10.504 2.046 7.552 1.00 0.00 H new ATOM 0 HA THR A 118 8.600 0.942 9.275 1.00 0.00 H new ATOM 0 HB THR A 118 10.378 2.400 10.066 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.059 3.859 11.341 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.378 4.821 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.574 3.862 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 118 9.001 4.601 8.489 1.00 0.00 H new ATOM 1751 N CYS A 119 6.386 2.130 9.001 1.00 0.00 N ATOM 1752 CA CYS A 119 5.055 2.626 8.672 1.00 0.00 C ATOM 1753 C CYS A 119 4.813 3.994 9.303 1.00 0.00 C ATOM 1754 O CYS A 119 3.679 4.353 9.616 1.00 0.00 O ATOM 1755 CB CYS A 119 3.988 1.638 9.147 1.00 0.00 C ATOM 1756 SG CYS A 119 4.395 -0.108 8.822 1.00 0.00 S ATOM 0 H CYS A 119 6.419 1.523 9.820 1.00 0.00 H new ATOM 0 HA CYS A 119 4.990 2.728 7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.836 1.771 10.218 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.043 1.877 8.658 1.00 0.00 H new ATOM 1761 N ALA A 120 5.889 4.753 9.487 1.00 0.00 N ATOM 1762 CA ALA A 120 5.794 6.082 10.078 1.00 0.00 C ATOM 1763 C ALA A 120 6.371 7.141 9.144 1.00 0.00 C ATOM 1764 O ALA A 120 6.133 8.336 9.321 1.00 0.00 O ATOM 1765 CB ALA A 120 6.508 6.115 11.421 1.00 0.00 C ATOM 0 H ALA A 120 6.836 4.470 9.235 1.00 0.00 H new ATOM 0 HA ALA A 120 4.739 6.308 10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.429 7.114 11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.048 5.392 12.095 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.559 5.863 11.281 1.00 0.00 H new ATOM 1771 N THR A 121 7.131 6.695 8.149 1.00 0.00 N ATOM 1772 CA THR A 121 7.744 7.604 7.188 1.00 0.00 C ATOM 1773 C THR A 121 6.710 8.148 6.210 1.00 0.00 C ATOM 1774 O THR A 121 5.979 7.398 5.561 1.00 0.00 O ATOM 1775 CB THR A 121 8.868 6.910 6.397 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.876 6.431 7.294 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.492 7.867 5.391 1.00 0.00 C ATOM 0 H THR A 121 7.337 5.709 7.987 1.00 0.00 H new ATOM 0 HA THR A 121 8.169 8.429 7.759 1.00 0.00 H new ATOM 0 HB THR A 121 8.435 6.069 5.856 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.586 5.990 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.283 7.355 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.729 8.208 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.911 8.725 5.917 1.00 0.00 H new ATOM 1785 N PRO A 122 6.644 9.483 6.097 1.00 0.00 N ATOM 1786 CA PRO A 122 5.703 10.157 5.198 1.00 0.00 C ATOM 1787 C PRO A 122 6.058 9.953 3.729 1.00 0.00 C ATOM 1788 O PRO A 122 7.047 10.497 3.238 1.00 0.00 O ATOM 1789 CB PRO A 122 5.841 11.632 5.581 1.00 0.00 C ATOM 1790 CG PRO A 122 7.210 11.748 6.156 1.00 0.00 C ATOM 1791 CD PRO A 122 7.485 10.437 6.840 1.00 0.00 C ATOM 0 HA PRO A 122 4.690 9.768 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.720 12.279 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.081 11.926 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.946 11.943 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.268 12.576 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.540 10.169 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.218 10.471 7.896 1.00 0.00 H new ATOM 1799 N ARG A 123 5.245 9.166 3.032 1.00 0.00 N ATOM 1800 CA ARG A 123 5.474 8.889 1.619 1.00 0.00 C ATOM 1801 C ARG A 123 4.157 8.870 0.849 1.00 0.00 C ATOM 1802 O ARG A 123 3.090 8.603 1.401 1.00 0.00 O ATOM 1803 CB ARG A 123 6.196 7.552 1.450 1.00 0.00 C ATOM 1804 CG ARG A 123 7.586 7.528 2.064 1.00 0.00 C ATOM 1805 CD ARG A 123 8.532 6.641 1.269 1.00 0.00 C ATOM 1806 NE ARG A 123 9.685 6.223 2.060 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.850 5.866 1.530 1.00 0.00 C ATOM 1808 NH1 ARG A 123 11.015 5.878 0.215 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.853 5.497 2.316 1.00 0.00 N ATOM 0 H ARG A 123 4.421 8.709 3.423 1.00 0.00 H new ATOM 0 HA ARG A 123 6.100 9.685 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.594 6.764 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.274 7.323 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.984 8.542 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.525 7.168 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.994 5.760 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.875 7.178 0.384 1.00 0.00 H new ATOM 0 HE ARG A 123 9.591 6.204 3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.247 6.162 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.910 5.603 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.730 5.487 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.747 5.223 1.908 1.00 0.00 H new ATOM 1823 N PRO A 124 4.232 9.160 -0.459 1.00 0.00 N ATOM 1824 CA PRO A 124 3.056 9.183 -1.333 1.00 0.00 C ATOM 1825 C PRO A 124 2.486 7.789 -1.575 1.00 0.00 C ATOM 1826 O PRO A 124 3.164 6.785 -1.356 1.00 0.00 O ATOM 1827 CB PRO A 124 3.595 9.774 -2.638 1.00 0.00 C ATOM 1828 CG PRO A 124 5.049 9.453 -2.627 1.00 0.00 C ATOM 1829 CD PRO A 124 5.471 9.489 -1.184 1.00 0.00 C ATOM 0 HA PRO A 124 2.236 9.754 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.100 9.337 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.427 10.850 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.235 8.472 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.613 10.176 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.261 8.767 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.854 10.470 -0.901 1.00 0.00 H new ATOM 1837 N PHE A 125 1.239 7.735 -2.029 1.00 0.00 N ATOM 1838 CA PHE A 125 0.578 6.464 -2.300 1.00 0.00 C ATOM 1839 C PHE A 125 -0.370 6.587 -3.489 1.00 0.00 C ATOM 1840 O PHE A 125 -0.461 7.642 -4.118 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.192 5.991 -1.066 1.00 0.00 C ATOM 1842 CG PHE A 125 -0.962 7.086 -0.384 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.302 8.090 0.305 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.347 7.110 -0.434 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.009 9.098 0.933 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.059 8.116 0.193 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.389 9.112 0.876 1.00 0.00 C ATOM 0 H PHE A 125 0.665 8.557 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 125 1.345 5.729 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.883 5.200 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.509 5.554 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.777 8.085 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.876 6.335 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.483 9.874 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.138 8.123 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.943 9.900 1.364 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.074 5.501 -3.792 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.016 5.487 -4.904 1.00 0.00 C ATOM 1859 C ILE A 126 -3.336 4.841 -4.498 1.00 0.00 C ATOM 1860 O ILE A 126 -3.372 3.681 -4.085 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.441 4.734 -6.119 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.242 5.490 -6.694 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.514 4.545 -7.180 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.349 4.839 -7.925 1.00 0.00 C ATOM 0 H ILE A 126 -1.010 4.620 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.193 6.526 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.103 3.750 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.548 6.506 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.530 5.568 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.093 4.012 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.340 3.969 -6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.879 5.519 -7.506 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.195 5.429 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.687 3.833 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.408 4.786 -8.707 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.421 5.599 -4.620 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.746 5.101 -4.268 1.00 0.00 C ATOM 1878 C CYS A 127 -6.384 4.371 -5.446 1.00 0.00 C ATOM 1879 O CYS A 127 -6.192 4.751 -6.601 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.645 6.256 -3.821 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.977 7.223 -2.430 1.00 0.00 S ATOM 0 H CYS A 127 -4.409 6.561 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.635 4.396 -3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -6.809 6.923 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.618 5.856 -3.537 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.142 3.322 -5.145 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.808 2.539 -6.179 1.00 0.00 C ATOM 1888 C GLN A 128 -9.243 2.216 -5.777 1.00 0.00 C ATOM 1889 O GLN A 128 -9.510 1.836 -4.637 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.036 1.246 -6.445 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.568 0.452 -7.627 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.016 -0.959 -7.679 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.811 -1.171 -7.546 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.898 -1.933 -7.873 1.00 0.00 N ATOM 0 H GLN A 128 -7.310 2.995 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.831 3.134 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.988 1.488 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -7.072 0.621 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.656 0.411 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.315 0.971 -8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.888 -1.711 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.585 -2.903 -7.917 1.00 0.00 H new