USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 112 THR OG1 : rot 177:sc= 0.386 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.435 K(o=-0.048,f=-2.9) USER MOD Set 2.1: A 32 THR OG1 : rot 24:sc= 0.376 USER MOD Set 2.2: A 110 GLN : amide:sc= -1.53! K(o=-1.2!,f=0.25) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.0967 (180deg=-0.783) USER MOD Single : A 17 THR OG1 : rot -44:sc= -0.572 USER MOD Single : A 19 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.038) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.355 USER MOD Single : A 24 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.16) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -127:sc= 0.283 USER MOD Single : A 29 THR OG1 : rot 75:sc= 0.953 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -13:sc= 0.986 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 45:sc= 0.195 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00286 USER MOD Single : A 58 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.5!) USER MOD Single : A 60 TYR OH : rot 150:sc= 0.585 USER MOD Single : A 61 SER OG : rot 79:sc= 0.944 USER MOD Single : A 62 HIS : no HD1:sc= -1.01! C(o=-1!,f=-3.3!) USER MOD Single : A 63 HIS : no HD1:sc= -3.12! K(o=-3.1!,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -160:sc= -0.272 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.87) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.25! K(o=-4.2!,f=-1.7) USER MOD Single : A 101 ASN : amide:sc= -2.01! K(o=-2!,f=-0.019) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= -0.13 (180deg=-0.884) USER MOD Single : A 111 SER OG : rot 170:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 88:sc= -0.355 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.12) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.868 6.011 1.170 1.00 0.23 N ATOM 103 CA ASP A 8 -16.754 6.230 2.135 1.00 0.21 C ATOM 104 C ASP A 8 -15.780 7.262 1.564 1.00 0.15 C ATOM 105 O ASP A 8 -15.477 7.260 0.388 1.00 0.27 O ATOM 106 CB ASP A 8 -16.016 4.911 2.370 1.00 0.20 C ATOM 107 CG ASP A 8 -15.944 4.626 3.872 1.00 0.86 C ATOM 108 OD1 ASP A 8 -16.992 4.560 4.492 1.00 2.00 O ATOM 109 OD2 ASP A 8 -14.843 4.479 4.374 1.00 0.57 O ATOM 0 HA ASP A 8 -17.159 6.594 3.079 1.00 0.21 H new ATOM 0 HB2 ASP A 8 -16.532 4.098 1.859 1.00 0.20 H new ATOM 0 HB3 ASP A 8 -15.011 4.965 1.951 1.00 0.20 H new ATOM 114 N ILE A 9 -15.286 8.144 2.390 1.00 0.19 N ATOM 115 CA ILE A 9 -14.330 9.176 1.898 1.00 0.25 C ATOM 116 C ILE A 9 -12.896 8.690 2.119 1.00 0.35 C ATOM 117 O ILE A 9 -11.950 9.277 1.634 1.00 0.57 O ATOM 118 CB ILE A 9 -14.550 10.481 2.666 1.00 0.29 C ATOM 119 CG1 ILE A 9 -13.549 11.531 2.180 1.00 0.38 C ATOM 120 CG2 ILE A 9 -14.344 10.235 4.162 1.00 0.44 C ATOM 121 CD1 ILE A 9 -14.146 12.929 2.363 1.00 0.32 C ATOM 0 H ILE A 9 -15.504 8.194 3.385 1.00 0.19 H new ATOM 0 HA ILE A 9 -14.495 9.347 0.834 1.00 0.25 H new ATOM 0 HB ILE A 9 -15.566 10.837 2.494 1.00 0.29 H new ATOM 0 HG12 ILE A 9 -12.617 11.446 2.738 1.00 0.38 H new ATOM 0 HG13 ILE A 9 -13.308 11.361 1.131 1.00 0.38 H new ATOM 0 HG21 ILE A 9 -14.501 11.165 4.709 1.00 0.44 H new ATOM 0 HG22 ILE A 9 -15.056 9.486 4.509 1.00 0.44 H new ATOM 0 HG23 ILE A 9 -13.329 9.879 4.336 1.00 0.44 H new ATOM 0 HD11 ILE A 9 -13.433 13.677 2.017 1.00 0.32 H new ATOM 0 HD12 ILE A 9 -15.067 13.010 1.785 1.00 0.32 H new ATOM 0 HD13 ILE A 9 -14.364 13.096 3.418 1.00 0.32 H new ATOM 133 N THR A 10 -12.727 7.621 2.851 1.00 0.32 N ATOM 134 CA THR A 10 -11.354 7.102 3.101 1.00 0.38 C ATOM 135 C THR A 10 -10.837 6.395 1.847 1.00 0.41 C ATOM 136 O THR A 10 -9.677 6.492 1.502 1.00 0.63 O ATOM 137 CB THR A 10 -11.385 6.114 4.270 1.00 0.40 C ATOM 138 OG1 THR A 10 -12.264 6.599 5.274 1.00 0.40 O ATOM 139 CG2 THR A 10 -9.978 5.967 4.848 1.00 0.48 C ATOM 0 H THR A 10 -13.480 7.087 3.285 1.00 0.32 H new ATOM 0 HA THR A 10 -10.692 7.933 3.346 1.00 0.38 H new ATOM 0 HB THR A 10 -11.736 5.143 3.919 1.00 0.40 H new ATOM 0 HG1 THR A 10 -12.286 5.967 6.022 1.00 0.40 H new ATOM 0 HG21 THR A 10 -9.998 5.264 5.681 1.00 0.48 H new ATOM 0 HG22 THR A 10 -9.304 5.596 4.076 1.00 0.48 H new ATOM 0 HG23 THR A 10 -9.626 6.937 5.201 1.00 0.48 H new ATOM 147 N LEU A 11 -11.689 5.684 1.160 1.00 0.21 N ATOM 148 CA LEU A 11 -11.237 4.979 -0.073 1.00 0.24 C ATOM 149 C LEU A 11 -10.941 6.013 -1.161 1.00 0.24 C ATOM 150 O LEU A 11 -10.276 5.729 -2.137 1.00 0.25 O ATOM 151 CB LEU A 11 -12.337 4.028 -0.556 1.00 0.26 C ATOM 152 CG LEU A 11 -12.665 3.004 0.539 1.00 0.29 C ATOM 153 CD1 LEU A 11 -14.048 2.407 0.278 1.00 0.24 C ATOM 154 CD2 LEU A 11 -11.624 1.875 0.540 1.00 0.38 C ATOM 0 H LEU A 11 -12.673 5.561 1.397 1.00 0.21 H new ATOM 0 HA LEU A 11 -10.336 4.404 0.144 1.00 0.24 H new ATOM 0 HB2 LEU A 11 -13.231 4.595 -0.815 1.00 0.26 H new ATOM 0 HB3 LEU A 11 -12.013 3.514 -1.461 1.00 0.26 H new ATOM 0 HG LEU A 11 -12.651 3.506 1.506 1.00 0.29 H new ATOM 0 HD11 LEU A 11 -14.283 1.679 1.055 1.00 0.24 H new ATOM 0 HD12 LEU A 11 -14.795 3.201 0.287 1.00 0.24 H new ATOM 0 HD13 LEU A 11 -14.054 1.914 -0.694 1.00 0.24 H new ATOM 0 HD21 LEU A 11 -11.868 1.155 1.321 1.00 0.38 H new ATOM 0 HD22 LEU A 11 -11.629 1.375 -0.428 1.00 0.38 H new ATOM 0 HD23 LEU A 11 -10.635 2.292 0.728 1.00 0.38 H new ATOM 166 N GLN A 12 -11.427 7.213 -0.996 1.00 0.23 N ATOM 167 CA GLN A 12 -11.172 8.267 -2.017 1.00 0.23 C ATOM 168 C GLN A 12 -9.792 8.884 -1.778 1.00 0.26 C ATOM 169 O GLN A 12 -8.926 8.838 -2.629 1.00 0.24 O ATOM 170 CB GLN A 12 -12.243 9.355 -1.906 1.00 0.21 C ATOM 171 CG GLN A 12 -12.183 10.258 -3.139 1.00 0.20 C ATOM 172 CD GLN A 12 -13.239 11.359 -3.018 1.00 0.32 C ATOM 173 OE1 GLN A 12 -14.264 11.167 -2.393 1.00 1.42 O ATOM 174 NE2 GLN A 12 -13.032 12.511 -3.592 1.00 0.88 N ATOM 0 H GLN A 12 -11.990 7.509 -0.198 1.00 0.23 H new ATOM 0 HA GLN A 12 -11.206 7.825 -3.013 1.00 0.23 H new ATOM 0 HB2 GLN A 12 -13.230 8.901 -1.822 1.00 0.21 H new ATOM 0 HB3 GLN A 12 -12.086 9.944 -1.003 1.00 0.21 H new ATOM 0 HG2 GLN A 12 -11.191 10.700 -3.231 1.00 0.20 H new ATOM 0 HG3 GLN A 12 -12.356 9.671 -4.041 1.00 0.20 H new ATOM 0 HE21 GLN A 12 -12.172 12.672 -4.116 1.00 0.88 H new ATOM 0 HE22 GLN A 12 -13.730 13.251 -3.517 1.00 0.88 H new ATOM 183 N GLU A 13 -9.579 9.458 -0.625 1.00 0.36 N ATOM 184 CA GLU A 13 -8.253 10.075 -0.335 1.00 0.41 C ATOM 185 C GLU A 13 -7.154 9.029 -0.536 1.00 0.33 C ATOM 186 O GLU A 13 -6.049 9.344 -0.932 1.00 0.23 O ATOM 187 CB GLU A 13 -8.226 10.577 1.111 1.00 0.49 C ATOM 188 CG GLU A 13 -8.352 9.392 2.070 1.00 0.58 C ATOM 189 CD GLU A 13 -8.591 9.907 3.490 1.00 1.41 C ATOM 190 OE1 GLU A 13 -9.460 10.747 3.656 1.00 2.53 O ATOM 191 OE2 GLU A 13 -7.900 9.454 4.387 1.00 1.51 O ATOM 0 H GLU A 13 -10.264 9.526 0.127 1.00 0.36 H new ATOM 0 HA GLU A 13 -8.085 10.914 -1.010 1.00 0.41 H new ATOM 0 HB2 GLU A 13 -7.297 11.115 1.302 1.00 0.49 H new ATOM 0 HB3 GLU A 13 -9.042 11.280 1.277 1.00 0.49 H new ATOM 0 HG2 GLU A 13 -9.176 8.748 1.762 1.00 0.58 H new ATOM 0 HG3 GLU A 13 -7.445 8.788 2.039 1.00 0.58 H new ATOM 198 N ILE A 14 -7.449 7.787 -0.266 1.00 0.40 N ATOM 199 CA ILE A 14 -6.421 6.722 -0.442 1.00 0.36 C ATOM 200 C ILE A 14 -6.127 6.541 -1.932 1.00 0.33 C ATOM 201 O ILE A 14 -4.990 6.590 -2.360 1.00 0.29 O ATOM 202 CB ILE A 14 -6.944 5.407 0.138 1.00 0.43 C ATOM 203 CG1 ILE A 14 -6.873 5.459 1.666 1.00 0.42 C ATOM 204 CG2 ILE A 14 -6.087 4.247 -0.372 1.00 0.49 C ATOM 205 CD1 ILE A 14 -7.661 4.288 2.255 1.00 0.49 C ATOM 0 H ILE A 14 -8.357 7.464 0.069 1.00 0.40 H new ATOM 0 HA ILE A 14 -5.507 7.009 0.077 1.00 0.36 H new ATOM 0 HB ILE A 14 -7.978 5.259 -0.173 1.00 0.43 H new ATOM 0 HG12 ILE A 14 -5.834 5.413 1.994 1.00 0.42 H new ATOM 0 HG13 ILE A 14 -7.280 6.403 2.027 1.00 0.42 H new ATOM 0 HG21 ILE A 14 -6.460 3.310 0.041 1.00 0.49 H new ATOM 0 HG22 ILE A 14 -6.137 4.209 -1.460 1.00 0.49 H new ATOM 0 HG23 ILE A 14 -5.053 4.395 -0.061 1.00 0.49 H new ATOM 0 HD11 ILE A 14 -7.610 4.326 3.343 1.00 0.49 H new ATOM 0 HD12 ILE A 14 -8.702 4.354 1.938 1.00 0.49 H new ATOM 0 HD13 ILE A 14 -7.234 3.349 1.904 1.00 0.49 H new ATOM 217 N ILE A 15 -7.141 6.332 -2.725 1.00 0.34 N ATOM 218 CA ILE A 15 -6.918 6.149 -4.188 1.00 0.32 C ATOM 219 C ILE A 15 -5.981 7.244 -4.701 1.00 0.34 C ATOM 220 O ILE A 15 -5.003 6.974 -5.370 1.00 0.34 O ATOM 221 CB ILE A 15 -8.256 6.237 -4.923 1.00 0.39 C ATOM 222 CG1 ILE A 15 -9.030 4.929 -4.731 1.00 0.31 C ATOM 223 CG2 ILE A 15 -8.006 6.464 -6.415 1.00 0.45 C ATOM 224 CD1 ILE A 15 -10.509 5.160 -5.043 1.00 0.47 C ATOM 0 H ILE A 15 -8.114 6.280 -2.424 1.00 0.34 H new ATOM 0 HA ILE A 15 -6.469 5.172 -4.368 1.00 0.32 H new ATOM 0 HB ILE A 15 -8.836 7.067 -4.521 1.00 0.39 H new ATOM 0 HG12 ILE A 15 -8.626 4.156 -5.385 1.00 0.31 H new ATOM 0 HG13 ILE A 15 -8.915 4.573 -3.707 1.00 0.31 H new ATOM 0 HG21 ILE A 15 -8.960 6.527 -6.938 1.00 0.45 H new ATOM 0 HG22 ILE A 15 -7.454 7.394 -6.554 1.00 0.45 H new ATOM 0 HG23 ILE A 15 -7.425 5.634 -6.817 1.00 0.45 H new ATOM 0 HD11 ILE A 15 -11.059 4.229 -4.906 1.00 0.47 H new ATOM 0 HD12 ILE A 15 -10.908 5.920 -4.371 1.00 0.47 H new ATOM 0 HD13 ILE A 15 -10.615 5.496 -6.074 1.00 0.47 H new ATOM 236 N LYS A 16 -6.271 8.478 -4.393 1.00 0.38 N ATOM 237 CA LYS A 16 -5.397 9.589 -4.863 1.00 0.43 C ATOM 238 C LYS A 16 -3.959 9.334 -4.405 1.00 0.43 C ATOM 239 O LYS A 16 -3.018 9.509 -5.153 1.00 0.45 O ATOM 240 CB LYS A 16 -5.892 10.912 -4.276 1.00 0.51 C ATOM 241 CG LYS A 16 -7.219 11.298 -4.933 1.00 0.67 C ATOM 242 CD LYS A 16 -8.161 11.880 -3.877 1.00 1.61 C ATOM 243 CE LYS A 16 -9.280 12.662 -4.567 1.00 0.91 C ATOM 244 NZ LYS A 16 -9.659 11.975 -5.834 1.00 2.09 N ATOM 0 H LYS A 16 -7.076 8.765 -3.836 1.00 0.38 H new ATOM 0 HA LYS A 16 -5.429 9.641 -5.951 1.00 0.43 H new ATOM 0 HB2 LYS A 16 -6.022 10.818 -3.198 1.00 0.51 H new ATOM 0 HB3 LYS A 16 -5.151 11.695 -4.441 1.00 0.51 H new ATOM 0 HG2 LYS A 16 -7.047 12.028 -5.724 1.00 0.67 H new ATOM 0 HG3 LYS A 16 -7.674 10.424 -5.399 1.00 0.67 H new ATOM 0 HD2 LYS A 16 -8.583 11.079 -3.270 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -7.609 12.534 -3.202 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -10.145 12.737 -3.908 1.00 0.91 H new ATOM 0 HE3 LYS A 16 -8.951 13.680 -4.777 1.00 0.91 H new ATOM 0 HZ1 LYS A 16 -10.601 12.297 -6.135 1.00 2.09 H new ATOM 0 HZ2 LYS A 16 -8.963 12.201 -6.573 1.00 2.09 H new ATOM 0 HZ3 LYS A 16 -9.678 10.947 -5.679 1.00 2.09 H new ATOM 258 N THR A 17 -3.782 8.920 -3.180 1.00 0.43 N ATOM 259 CA THR A 17 -2.405 8.655 -2.675 1.00 0.45 C ATOM 260 C THR A 17 -1.705 7.661 -3.604 1.00 0.37 C ATOM 261 O THR A 17 -0.593 7.881 -4.041 1.00 0.33 O ATOM 262 CB THR A 17 -2.483 8.067 -1.265 1.00 0.48 C ATOM 263 OG1 THR A 17 -3.649 8.552 -0.616 1.00 0.74 O ATOM 264 CG2 THR A 17 -1.244 8.479 -0.469 1.00 0.49 C ATOM 0 H THR A 17 -4.531 8.754 -2.508 1.00 0.43 H new ATOM 0 HA THR A 17 -1.841 9.588 -2.649 1.00 0.45 H new ATOM 0 HB THR A 17 -2.527 6.980 -1.326 1.00 0.48 H new ATOM 0 HG1 THR A 17 -3.739 9.514 -0.781 1.00 0.74 H new ATOM 0 HG21 THR A 17 -1.301 8.059 0.535 1.00 0.49 H new ATOM 0 HG22 THR A 17 -0.350 8.105 -0.968 1.00 0.49 H new ATOM 0 HG23 THR A 17 -1.197 9.566 -0.406 1.00 0.49 H new ATOM 272 N LEU A 18 -2.348 6.567 -3.911 1.00 0.34 N ATOM 273 CA LEU A 18 -1.719 5.561 -4.812 1.00 0.26 C ATOM 274 C LEU A 18 -1.223 6.254 -6.083 1.00 0.25 C ATOM 275 O LEU A 18 -0.125 6.016 -6.544 1.00 0.24 O ATOM 276 CB LEU A 18 -2.749 4.491 -5.183 1.00 0.18 C ATOM 277 CG LEU A 18 -3.382 3.925 -3.911 1.00 0.24 C ATOM 278 CD1 LEU A 18 -4.406 2.852 -4.283 1.00 0.20 C ATOM 279 CD2 LEU A 18 -2.294 3.305 -3.031 1.00 0.44 C ATOM 0 H LEU A 18 -3.281 6.327 -3.577 1.00 0.34 H new ATOM 0 HA LEU A 18 -0.878 5.093 -4.301 1.00 0.26 H new ATOM 0 HB2 LEU A 18 -3.519 4.920 -5.825 1.00 0.18 H new ATOM 0 HB3 LEU A 18 -2.270 3.692 -5.750 1.00 0.18 H new ATOM 0 HG LEU A 18 -3.878 4.728 -3.366 1.00 0.24 H new ATOM 0 HD11 LEU A 18 -4.857 2.449 -3.376 1.00 0.20 H new ATOM 0 HD12 LEU A 18 -5.182 3.291 -4.910 1.00 0.20 H new ATOM 0 HD13 LEU A 18 -3.910 2.050 -4.829 1.00 0.20 H new ATOM 0 HD21 LEU A 18 -2.745 2.902 -2.124 1.00 0.44 H new ATOM 0 HD22 LEU A 18 -1.798 2.503 -3.577 1.00 0.44 H new ATOM 0 HD23 LEU A 18 -1.563 4.068 -2.764 1.00 0.44 H new ATOM 291 N ASN A 19 -2.025 7.113 -6.652 1.00 0.26 N ATOM 292 CA ASN A 19 -1.598 7.822 -7.891 1.00 0.27 C ATOM 293 C ASN A 19 -0.336 8.637 -7.603 1.00 0.32 C ATOM 294 O ASN A 19 0.589 8.665 -8.390 1.00 0.30 O ATOM 295 CB ASN A 19 -2.716 8.759 -8.353 1.00 0.31 C ATOM 296 CG ASN A 19 -3.807 7.945 -9.052 1.00 0.18 C ATOM 297 OD1 ASN A 19 -4.390 8.393 -10.020 1.00 1.12 O ATOM 298 ND2 ASN A 19 -4.112 6.759 -8.599 1.00 1.34 N ATOM 0 H ASN A 19 -2.956 7.354 -6.312 1.00 0.26 H new ATOM 0 HA ASN A 19 -1.389 7.093 -8.673 1.00 0.27 H new ATOM 0 HB2 ASN A 19 -3.135 9.291 -7.499 1.00 0.31 H new ATOM 0 HB3 ASN A 19 -2.317 9.512 -9.033 1.00 0.31 H new ATOM 0 HD21 ASN A 19 -4.839 6.209 -9.057 1.00 1.34 H new ATOM 0 HD22 ASN A 19 -3.623 6.382 -7.787 1.00 1.34 H new ATOM 305 N SER A 20 -0.290 9.299 -6.480 1.00 0.38 N ATOM 306 CA SER A 20 0.913 10.112 -6.143 1.00 0.43 C ATOM 307 C SER A 20 2.164 9.237 -6.250 1.00 0.28 C ATOM 308 O SER A 20 3.194 9.665 -6.732 1.00 0.25 O ATOM 309 CB SER A 20 0.784 10.645 -4.716 1.00 0.59 C ATOM 310 OG SER A 20 -0.461 11.315 -4.575 1.00 0.91 O ATOM 0 H SER A 20 -1.033 9.312 -5.781 1.00 0.38 H new ATOM 0 HA SER A 20 0.994 10.949 -6.837 1.00 0.43 H new ATOM 0 HB2 SER A 20 0.851 9.824 -4.002 1.00 0.59 H new ATOM 0 HB3 SER A 20 1.604 11.328 -4.495 1.00 0.59 H new ATOM 0 HG SER A 20 -0.547 11.656 -3.660 1.00 0.91 H new ATOM 316 N LEU A 21 2.082 8.013 -5.804 1.00 0.26 N ATOM 317 CA LEU A 21 3.266 7.111 -5.880 1.00 0.27 C ATOM 318 C LEU A 21 3.488 6.683 -7.333 1.00 0.25 C ATOM 319 O LEU A 21 4.590 6.731 -7.842 1.00 0.36 O ATOM 320 CB LEU A 21 3.022 5.873 -5.015 1.00 0.36 C ATOM 321 CG LEU A 21 2.655 6.303 -3.592 1.00 0.25 C ATOM 322 CD1 LEU A 21 2.406 5.063 -2.732 1.00 0.36 C ATOM 323 CD2 LEU A 21 3.803 7.118 -2.989 1.00 0.75 C ATOM 0 H LEU A 21 1.247 7.599 -5.390 1.00 0.26 H new ATOM 0 HA LEU A 21 4.148 7.638 -5.517 1.00 0.27 H new ATOM 0 HB2 LEU A 21 2.220 5.271 -5.442 1.00 0.36 H new ATOM 0 HB3 LEU A 21 3.915 5.248 -4.998 1.00 0.36 H new ATOM 0 HG LEU A 21 1.753 6.914 -3.621 1.00 0.25 H new ATOM 0 HD11 LEU A 21 2.145 5.369 -1.719 1.00 0.36 H new ATOM 0 HD12 LEU A 21 1.587 4.483 -3.158 1.00 0.36 H new ATOM 0 HD13 LEU A 21 3.308 4.452 -2.705 1.00 0.36 H new ATOM 0 HD21 LEU A 21 3.540 7.423 -1.976 1.00 0.75 H new ATOM 0 HD22 LEU A 21 4.706 6.509 -2.961 1.00 0.75 H new ATOM 0 HD23 LEU A 21 3.981 8.003 -3.600 1.00 0.75 H new ATOM 335 N THR A 22 2.449 6.265 -8.003 1.00 0.26 N ATOM 336 CA THR A 22 2.603 5.834 -9.420 1.00 0.38 C ATOM 337 C THR A 22 3.416 6.881 -10.186 1.00 0.42 C ATOM 338 O THR A 22 4.103 6.571 -11.139 1.00 0.70 O ATOM 339 CB THR A 22 1.221 5.691 -10.064 1.00 0.44 C ATOM 340 OG1 THR A 22 0.545 6.939 -10.012 1.00 0.37 O ATOM 341 CG2 THR A 22 0.411 4.637 -9.308 1.00 0.47 C ATOM 0 H THR A 22 1.501 6.204 -7.630 1.00 0.26 H new ATOM 0 HA THR A 22 3.120 4.875 -9.453 1.00 0.38 H new ATOM 0 HB THR A 22 1.334 5.382 -11.103 1.00 0.44 H new ATOM 0 HG1 THR A 22 0.888 7.466 -9.260 1.00 0.37 H new ATOM 0 HG21 THR A 22 -0.572 4.536 -9.767 1.00 0.47 H new ATOM 0 HG22 THR A 22 0.931 3.680 -9.349 1.00 0.47 H new ATOM 0 HG23 THR A 22 0.296 4.943 -8.268 1.00 0.47 H new ATOM 349 N GLU A 23 3.344 8.118 -9.776 1.00 0.25 N ATOM 350 CA GLU A 23 4.113 9.181 -10.482 1.00 0.26 C ATOM 351 C GLU A 23 5.583 9.107 -10.064 1.00 0.27 C ATOM 352 O GLU A 23 6.475 9.380 -10.844 1.00 0.35 O ATOM 353 CB GLU A 23 3.546 10.552 -10.110 1.00 0.23 C ATOM 354 CG GLU A 23 2.104 10.661 -10.610 1.00 0.51 C ATOM 355 CD GLU A 23 1.502 11.989 -10.149 1.00 1.09 C ATOM 356 OE1 GLU A 23 2.157 12.682 -9.388 1.00 1.76 O ATOM 357 OE2 GLU A 23 0.394 12.291 -10.564 1.00 1.73 O ATOM 0 H GLU A 23 2.787 8.438 -8.984 1.00 0.25 H new ATOM 0 HA GLU A 23 4.033 9.035 -11.559 1.00 0.26 H new ATOM 0 HB2 GLU A 23 3.579 10.690 -9.029 1.00 0.23 H new ATOM 0 HB3 GLU A 23 4.155 11.341 -10.550 1.00 0.23 H new ATOM 0 HG2 GLU A 23 2.079 10.597 -11.698 1.00 0.51 H new ATOM 0 HG3 GLU A 23 1.512 9.829 -10.228 1.00 0.51 H new ATOM 364 N GLN A 24 5.842 8.740 -8.840 1.00 0.20 N ATOM 365 CA GLN A 24 7.253 8.647 -8.370 1.00 0.20 C ATOM 366 C GLN A 24 7.753 7.211 -8.543 1.00 0.30 C ATOM 367 O GLN A 24 7.042 6.262 -8.281 1.00 0.41 O ATOM 368 CB GLN A 24 7.325 9.038 -6.892 1.00 0.06 C ATOM 369 CG GLN A 24 6.817 10.470 -6.718 1.00 0.55 C ATOM 370 CD GLN A 24 7.849 11.451 -7.278 1.00 1.32 C ATOM 371 OE1 GLN A 24 8.841 11.739 -6.638 1.00 1.84 O ATOM 372 NE2 GLN A 24 7.656 11.980 -8.455 1.00 2.34 N ATOM 0 H GLN A 24 5.137 8.500 -8.144 1.00 0.20 H new ATOM 0 HA GLN A 24 7.877 9.323 -8.955 1.00 0.20 H new ATOM 0 HB2 GLN A 24 6.725 8.353 -6.294 1.00 0.06 H new ATOM 0 HB3 GLN A 24 8.351 8.959 -6.533 1.00 0.06 H new ATOM 0 HG2 GLN A 24 5.865 10.594 -7.234 1.00 0.55 H new ATOM 0 HG3 GLN A 24 6.638 10.678 -5.663 1.00 0.55 H new ATOM 0 HE21 GLN A 24 6.823 11.738 -8.992 1.00 2.34 H new ATOM 0 HE22 GLN A 24 8.338 12.635 -8.838 1.00 2.34 H new ATOM 381 N LYS A 25 8.970 7.045 -8.983 1.00 0.37 N ATOM 382 CA LYS A 25 9.512 5.669 -9.172 1.00 0.46 C ATOM 383 C LYS A 25 11.013 5.666 -8.876 1.00 0.41 C ATOM 384 O LYS A 25 11.825 5.962 -9.730 1.00 0.80 O ATOM 385 CB LYS A 25 9.277 5.223 -10.618 1.00 0.77 C ATOM 386 CG LYS A 25 7.815 4.808 -10.793 1.00 1.12 C ATOM 387 CD LYS A 25 7.574 4.385 -12.244 1.00 1.39 C ATOM 388 CE LYS A 25 7.160 5.604 -13.069 1.00 0.50 C ATOM 389 NZ LYS A 25 7.003 5.208 -14.497 1.00 0.96 N ATOM 0 H LYS A 25 9.612 7.801 -9.220 1.00 0.37 H new ATOM 0 HA LYS A 25 9.006 4.983 -8.492 1.00 0.46 H new ATOM 0 HB2 LYS A 25 9.520 6.034 -11.304 1.00 0.77 H new ATOM 0 HB3 LYS A 25 9.935 4.389 -10.864 1.00 0.77 H new ATOM 0 HG2 LYS A 25 7.576 3.985 -10.119 1.00 1.12 H new ATOM 0 HG3 LYS A 25 7.157 5.636 -10.531 1.00 1.12 H new ATOM 0 HD2 LYS A 25 8.479 3.942 -12.660 1.00 1.39 H new ATOM 0 HD3 LYS A 25 6.796 3.622 -12.287 1.00 1.39 H new ATOM 0 HE2 LYS A 25 6.224 6.013 -12.689 1.00 0.50 H new ATOM 0 HE3 LYS A 25 7.910 6.389 -12.979 1.00 0.50 H new ATOM 0 HZ1 LYS A 25 6.721 6.037 -15.058 1.00 0.96 H new ATOM 0 HZ2 LYS A 25 7.906 4.838 -14.856 1.00 0.96 H new ATOM 0 HZ3 LYS A 25 6.272 4.473 -14.575 1.00 0.96 H new ATOM 403 N THR A 26 11.389 5.329 -7.672 1.00 0.19 N ATOM 404 CA THR A 26 12.838 5.302 -7.324 1.00 0.05 C ATOM 405 C THR A 26 13.402 3.911 -7.617 1.00 0.15 C ATOM 406 O THR A 26 12.759 3.088 -8.236 1.00 0.25 O ATOM 407 CB THR A 26 13.011 5.623 -5.838 1.00 0.13 C ATOM 408 OG1 THR A 26 12.855 4.432 -5.078 1.00 0.43 O ATOM 409 CG2 THR A 26 11.960 6.647 -5.408 1.00 0.29 C ATOM 0 H THR A 26 10.756 5.071 -6.915 1.00 0.19 H new ATOM 0 HA THR A 26 13.372 6.044 -7.918 1.00 0.05 H new ATOM 0 HB THR A 26 14.005 6.036 -5.668 1.00 0.13 H new ATOM 0 HG1 THR A 26 12.184 4.576 -4.378 1.00 0.43 H new ATOM 0 HG21 THR A 26 12.085 6.874 -4.349 1.00 0.29 H new ATOM 0 HG22 THR A 26 12.081 7.560 -5.992 1.00 0.29 H new ATOM 0 HG23 THR A 26 10.964 6.238 -5.576 1.00 0.29 H new ATOM 417 N LEU A 27 14.602 3.639 -7.178 1.00 0.16 N ATOM 418 CA LEU A 27 15.199 2.299 -7.435 1.00 0.29 C ATOM 419 C LEU A 27 14.628 1.287 -6.440 1.00 0.33 C ATOM 420 O LEU A 27 14.882 0.102 -6.530 1.00 0.42 O ATOM 421 CB LEU A 27 16.721 2.377 -7.279 1.00 0.38 C ATOM 422 CG LEU A 27 17.081 2.650 -5.817 1.00 0.35 C ATOM 423 CD1 LEU A 27 17.575 1.358 -5.163 1.00 0.57 C ATOM 424 CD2 LEU A 27 18.189 3.705 -5.757 1.00 0.48 C ATOM 0 H LEU A 27 15.192 4.285 -6.654 1.00 0.16 H new ATOM 0 HA LEU A 27 14.958 1.982 -8.450 1.00 0.29 H new ATOM 0 HB2 LEU A 27 17.177 1.443 -7.607 1.00 0.38 H new ATOM 0 HB3 LEU A 27 17.121 3.167 -7.915 1.00 0.38 H new ATOM 0 HG LEU A 27 16.200 3.012 -5.286 1.00 0.35 H new ATOM 0 HD11 LEU A 27 17.831 1.552 -4.122 1.00 0.57 H new ATOM 0 HD12 LEU A 27 16.789 0.604 -5.209 1.00 0.57 H new ATOM 0 HD13 LEU A 27 18.457 0.996 -5.692 1.00 0.57 H new ATOM 0 HD21 LEU A 27 18.448 3.902 -4.717 1.00 0.48 H new ATOM 0 HD22 LEU A 27 19.069 3.339 -6.287 1.00 0.48 H new ATOM 0 HD23 LEU A 27 17.840 4.626 -6.225 1.00 0.48 H new ATOM 436 N CYS A 28 13.856 1.745 -5.492 1.00 0.33 N ATOM 437 CA CYS A 28 13.267 0.810 -4.492 1.00 0.41 C ATOM 438 C CYS A 28 12.265 -0.114 -5.188 1.00 0.50 C ATOM 439 O CYS A 28 11.571 -0.882 -4.551 1.00 0.43 O ATOM 440 CB CYS A 28 12.551 1.614 -3.406 1.00 0.43 C ATOM 441 SG CYS A 28 13.101 1.051 -1.776 1.00 0.45 S ATOM 0 H CYS A 28 13.608 2.726 -5.367 1.00 0.33 H new ATOM 0 HA CYS A 28 14.059 0.212 -4.040 1.00 0.41 H new ATOM 0 HB2 CYS A 28 12.763 2.676 -3.526 1.00 0.43 H new ATOM 0 HB3 CYS A 28 11.472 1.492 -3.500 1.00 0.43 H new ATOM 446 N THR A 29 12.185 -0.046 -6.488 1.00 0.67 N ATOM 447 CA THR A 29 11.227 -0.921 -7.221 1.00 0.78 C ATOM 448 C THR A 29 11.856 -2.300 -7.434 1.00 0.75 C ATOM 449 O THR A 29 11.171 -3.279 -7.651 1.00 0.78 O ATOM 450 CB THR A 29 10.897 -0.295 -8.578 1.00 1.02 C ATOM 451 OG1 THR A 29 12.077 -0.237 -9.369 1.00 1.13 O ATOM 452 CG2 THR A 29 10.349 1.117 -8.370 1.00 1.11 C ATOM 0 H THR A 29 12.741 0.577 -7.074 1.00 0.67 H new ATOM 0 HA THR A 29 10.312 -1.025 -6.638 1.00 0.78 H new ATOM 0 HB THR A 29 10.147 -0.901 -9.087 1.00 1.02 H new ATOM 0 HG1 THR A 29 12.292 -1.133 -9.702 1.00 1.13 H new ATOM 0 HG21 THR A 29 10.114 1.562 -9.337 1.00 1.11 H new ATOM 0 HG22 THR A 29 9.445 1.071 -7.763 1.00 1.11 H new ATOM 0 HG23 THR A 29 11.097 1.726 -7.862 1.00 1.11 H new ATOM 460 N GLU A 30 13.157 -2.384 -7.376 1.00 0.75 N ATOM 461 CA GLU A 30 13.829 -3.699 -7.575 1.00 0.86 C ATOM 462 C GLU A 30 13.559 -4.598 -6.367 1.00 0.70 C ATOM 463 O GLU A 30 13.967 -5.742 -6.329 1.00 0.86 O ATOM 464 CB GLU A 30 15.337 -3.484 -7.724 1.00 0.98 C ATOM 465 CG GLU A 30 15.656 -3.088 -9.167 1.00 1.05 C ATOM 466 CD GLU A 30 14.775 -1.908 -9.580 1.00 1.05 C ATOM 467 OE1 GLU A 30 13.585 -2.113 -9.751 1.00 2.14 O ATOM 468 OE2 GLU A 30 15.307 -0.818 -9.718 1.00 1.92 O ATOM 0 H GLU A 30 13.784 -1.599 -7.199 1.00 0.75 H new ATOM 0 HA GLU A 30 13.439 -4.174 -8.475 1.00 0.86 H new ATOM 0 HB2 GLU A 30 15.673 -2.706 -7.039 1.00 0.98 H new ATOM 0 HB3 GLU A 30 15.873 -4.395 -7.459 1.00 0.98 H new ATOM 0 HG2 GLU A 30 16.708 -2.819 -9.257 1.00 1.05 H new ATOM 0 HG3 GLU A 30 15.485 -3.934 -9.833 1.00 1.05 H new ATOM 475 N LEU A 31 12.872 -4.090 -5.380 1.00 0.45 N ATOM 476 CA LEU A 31 12.577 -4.916 -4.176 1.00 0.36 C ATOM 477 C LEU A 31 11.257 -5.663 -4.380 1.00 0.32 C ATOM 478 O LEU A 31 10.230 -5.069 -4.639 1.00 0.61 O ATOM 479 CB LEU A 31 12.462 -4.008 -2.949 1.00 0.23 C ATOM 480 CG LEU A 31 13.547 -2.931 -3.007 1.00 0.11 C ATOM 481 CD1 LEU A 31 13.556 -2.143 -1.697 1.00 0.15 C ATOM 482 CD2 LEU A 31 14.911 -3.594 -3.212 1.00 0.09 C ATOM 0 H LEU A 31 12.503 -3.139 -5.356 1.00 0.45 H new ATOM 0 HA LEU A 31 13.383 -5.634 -4.024 1.00 0.36 H new ATOM 0 HB2 LEU A 31 11.476 -3.544 -2.918 1.00 0.23 H new ATOM 0 HB3 LEU A 31 12.567 -4.596 -2.037 1.00 0.23 H new ATOM 0 HG LEU A 31 13.342 -2.254 -3.836 1.00 0.11 H new ATOM 0 HD11 LEU A 31 14.329 -1.376 -1.739 1.00 0.15 H new ATOM 0 HD12 LEU A 31 12.585 -1.671 -1.550 1.00 0.15 H new ATOM 0 HD13 LEU A 31 13.761 -2.819 -0.867 1.00 0.15 H new ATOM 0 HD21 LEU A 31 15.685 -2.828 -3.254 1.00 0.09 H new ATOM 0 HD22 LEU A 31 15.115 -4.271 -2.383 1.00 0.09 H new ATOM 0 HD23 LEU A 31 14.906 -4.156 -4.146 1.00 0.09 H new ATOM 494 N THR A 32 11.277 -6.963 -4.267 1.00 0.25 N ATOM 495 CA THR A 32 10.025 -7.746 -4.455 1.00 0.19 C ATOM 496 C THR A 32 9.227 -7.752 -3.148 1.00 0.19 C ATOM 497 O THR A 32 9.730 -8.118 -2.105 1.00 0.22 O ATOM 498 CB THR A 32 10.375 -9.185 -4.845 1.00 0.33 C ATOM 499 OG1 THR A 32 11.082 -9.803 -3.778 1.00 0.66 O ATOM 500 CG2 THR A 32 11.247 -9.177 -6.101 1.00 0.27 C ATOM 0 H THR A 32 12.107 -7.516 -4.053 1.00 0.25 H new ATOM 0 HA THR A 32 9.427 -7.291 -5.245 1.00 0.19 H new ATOM 0 HB THR A 32 9.459 -9.741 -5.046 1.00 0.33 H new ATOM 0 HG1 THR A 32 10.862 -9.353 -2.936 1.00 0.66 H new ATOM 0 HG21 THR A 32 11.496 -10.202 -6.378 1.00 0.27 H new ATOM 0 HG22 THR A 32 10.704 -8.702 -6.918 1.00 0.27 H new ATOM 0 HG23 THR A 32 12.164 -8.622 -5.904 1.00 0.27 H new ATOM 508 N VAL A 33 7.988 -7.348 -3.198 1.00 0.22 N ATOM 509 CA VAL A 33 7.162 -7.330 -1.958 1.00 0.30 C ATOM 510 C VAL A 33 6.446 -8.674 -1.800 1.00 0.21 C ATOM 511 O VAL A 33 6.590 -9.564 -2.616 1.00 0.12 O ATOM 512 CB VAL A 33 6.125 -6.210 -2.051 1.00 0.41 C ATOM 513 CG1 VAL A 33 6.813 -4.912 -2.478 1.00 0.45 C ATOM 514 CG2 VAL A 33 5.062 -6.586 -3.086 1.00 0.42 C ATOM 0 H VAL A 33 7.512 -7.030 -4.042 1.00 0.22 H new ATOM 0 HA VAL A 33 7.807 -7.158 -1.096 1.00 0.30 H new ATOM 0 HB VAL A 33 5.654 -6.069 -1.078 1.00 0.41 H new ATOM 0 HG11 VAL A 33 6.074 -4.113 -2.544 1.00 0.45 H new ATOM 0 HG12 VAL A 33 7.572 -4.644 -1.743 1.00 0.45 H new ATOM 0 HG13 VAL A 33 7.284 -5.053 -3.451 1.00 0.45 H new ATOM 0 HG21 VAL A 33 4.322 -5.789 -3.154 1.00 0.42 H new ATOM 0 HG22 VAL A 33 5.534 -6.726 -4.058 1.00 0.42 H new ATOM 0 HG23 VAL A 33 4.572 -7.512 -2.784 1.00 0.42 H new ATOM 524 N THR A 34 5.677 -8.828 -0.759 1.00 0.36 N ATOM 525 CA THR A 34 4.954 -10.114 -0.549 1.00 0.33 C ATOM 526 C THR A 34 3.563 -10.025 -1.179 1.00 0.29 C ATOM 527 O THR A 34 2.704 -9.302 -0.713 1.00 0.44 O ATOM 528 CB THR A 34 4.819 -10.384 0.951 1.00 0.40 C ATOM 529 OG1 THR A 34 6.101 -10.318 1.559 1.00 0.72 O ATOM 530 CG2 THR A 34 4.219 -11.773 1.170 1.00 0.27 C ATOM 0 H THR A 34 5.517 -8.119 -0.044 1.00 0.36 H new ATOM 0 HA THR A 34 5.513 -10.926 -1.015 1.00 0.33 H new ATOM 0 HB THR A 34 4.165 -9.635 1.398 1.00 0.40 H new ATOM 0 HG1 THR A 34 6.016 -10.489 2.520 1.00 0.72 H new ATOM 0 HG21 THR A 34 4.124 -11.964 2.239 1.00 0.27 H new ATOM 0 HG22 THR A 34 3.235 -11.822 0.703 1.00 0.27 H new ATOM 0 HG23 THR A 34 4.870 -12.525 0.724 1.00 0.27 H new ATOM 538 N ASP A 35 3.331 -10.755 -2.236 1.00 0.26 N ATOM 539 CA ASP A 35 1.995 -10.710 -2.894 1.00 0.20 C ATOM 540 C ASP A 35 0.935 -11.255 -1.933 1.00 0.14 C ATOM 541 O ASP A 35 1.037 -12.363 -1.445 1.00 0.49 O ATOM 542 CB ASP A 35 2.021 -11.565 -4.162 1.00 0.18 C ATOM 543 CG ASP A 35 0.827 -11.204 -5.048 1.00 0.19 C ATOM 544 OD1 ASP A 35 -0.290 -11.480 -4.643 1.00 1.04 O ATOM 545 OD2 ASP A 35 1.051 -10.659 -6.115 1.00 1.26 O ATOM 0 H ASP A 35 4.009 -11.380 -2.672 1.00 0.26 H new ATOM 0 HA ASP A 35 1.754 -9.680 -3.156 1.00 0.20 H new ATOM 0 HB2 ASP A 35 2.952 -11.401 -4.704 1.00 0.18 H new ATOM 0 HB3 ASP A 35 1.986 -12.623 -3.901 1.00 0.18 H new ATOM 550 N ILE A 36 -0.081 -10.484 -1.658 1.00 0.46 N ATOM 551 CA ILE A 36 -1.145 -10.959 -0.729 1.00 0.43 C ATOM 552 C ILE A 36 -2.260 -11.632 -1.531 1.00 0.35 C ATOM 553 O ILE A 36 -3.055 -12.382 -1.000 1.00 0.47 O ATOM 554 CB ILE A 36 -1.719 -9.766 0.040 1.00 0.39 C ATOM 555 CG1 ILE A 36 -2.585 -8.925 -0.900 1.00 0.47 C ATOM 556 CG2 ILE A 36 -0.574 -8.909 0.581 1.00 0.66 C ATOM 557 CD1 ILE A 36 -2.796 -7.537 -0.293 1.00 0.38 C ATOM 0 H ILE A 36 -0.220 -9.547 -2.036 1.00 0.46 H new ATOM 0 HA ILE A 36 -0.720 -11.676 -0.026 1.00 0.43 H new ATOM 0 HB ILE A 36 -2.326 -10.126 0.870 1.00 0.39 H new ATOM 0 HG12 ILE A 36 -2.104 -8.838 -1.875 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.546 -9.413 -1.061 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.983 -8.060 1.128 1.00 0.66 H new ATOM 0 HG22 ILE A 36 0.044 -9.508 1.249 1.00 0.66 H new ATOM 0 HG23 ILE A 36 0.033 -8.548 -0.249 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -3.413 -6.937 -0.962 1.00 0.38 H new ATOM 0 HD12 ILE A 36 -3.295 -7.634 0.671 1.00 0.38 H new ATOM 0 HD13 ILE A 36 -1.831 -7.050 -0.155 1.00 0.38 H new ATOM 569 N PHE A 37 -2.326 -11.371 -2.809 1.00 0.29 N ATOM 570 CA PHE A 37 -3.390 -11.996 -3.643 1.00 0.41 C ATOM 571 C PHE A 37 -2.902 -13.351 -4.160 1.00 0.56 C ATOM 572 O PHE A 37 -3.619 -14.063 -4.834 1.00 0.63 O ATOM 573 CB PHE A 37 -3.711 -11.084 -4.829 1.00 0.40 C ATOM 574 CG PHE A 37 -3.749 -9.648 -4.362 1.00 0.36 C ATOM 575 CD1 PHE A 37 -4.822 -9.192 -3.588 1.00 0.38 C ATOM 576 CD2 PHE A 37 -2.711 -8.773 -4.705 1.00 0.39 C ATOM 577 CE1 PHE A 37 -4.858 -7.860 -3.156 1.00 0.39 C ATOM 578 CE2 PHE A 37 -2.746 -7.442 -4.272 1.00 0.44 C ATOM 579 CZ PHE A 37 -3.820 -6.986 -3.498 1.00 0.42 C ATOM 0 H PHE A 37 -1.689 -10.752 -3.310 1.00 0.29 H new ATOM 0 HA PHE A 37 -4.287 -12.138 -3.041 1.00 0.41 H new ATOM 0 HB2 PHE A 37 -2.959 -11.205 -5.609 1.00 0.40 H new ATOM 0 HB3 PHE A 37 -4.670 -11.361 -5.266 1.00 0.40 H new ATOM 0 HD1 PHE A 37 -5.622 -9.867 -3.324 1.00 0.38 H new ATOM 0 HD2 PHE A 37 -1.884 -9.125 -5.303 1.00 0.39 H new ATOM 0 HE1 PHE A 37 -5.686 -7.508 -2.559 1.00 0.39 H new ATOM 0 HE2 PHE A 37 -1.945 -6.767 -4.535 1.00 0.44 H new ATOM 0 HZ PHE A 37 -3.847 -5.959 -3.165 1.00 0.42 H new ATOM 589 N ALA A 38 -1.687 -13.713 -3.849 1.00 0.64 N ATOM 590 CA ALA A 38 -1.155 -15.022 -4.322 1.00 0.79 C ATOM 591 C ALA A 38 -1.999 -16.157 -3.739 1.00 0.33 C ATOM 592 O ALA A 38 -1.747 -17.320 -3.984 1.00 0.26 O ATOM 593 CB ALA A 38 0.296 -15.179 -3.865 1.00 1.27 C ATOM 0 H ALA A 38 -1.040 -13.159 -3.288 1.00 0.64 H new ATOM 0 HA ALA A 38 -1.199 -15.059 -5.410 1.00 0.79 H new ATOM 0 HB1 ALA A 38 0.685 -16.137 -4.211 1.00 1.27 H new ATOM 0 HB2 ALA A 38 0.898 -14.371 -4.281 1.00 1.27 H new ATOM 0 HB3 ALA A 38 0.341 -15.141 -2.777 1.00 1.27 H new ATOM 599 N ALA A 39 -3.000 -15.828 -2.969 1.00 0.13 N ATOM 600 CA ALA A 39 -3.859 -16.889 -2.370 1.00 0.51 C ATOM 601 C ALA A 39 -5.155 -16.264 -1.851 1.00 0.60 C ATOM 602 O ALA A 39 -5.442 -16.295 -0.671 1.00 0.62 O ATOM 603 CB ALA A 39 -3.114 -17.556 -1.212 1.00 0.89 C ATOM 0 H ALA A 39 -3.260 -14.871 -2.729 1.00 0.13 H new ATOM 0 HA ALA A 39 -4.095 -17.636 -3.128 1.00 0.51 H new ATOM 0 HB1 ALA A 39 -3.742 -18.332 -0.774 1.00 0.89 H new ATOM 0 HB2 ALA A 39 -2.191 -18.002 -1.582 1.00 0.89 H new ATOM 0 HB3 ALA A 39 -2.877 -16.810 -0.454 1.00 0.89 H new ATOM 609 N SER A 40 -5.942 -15.695 -2.724 1.00 0.74 N ATOM 610 CA SER A 40 -7.218 -15.069 -2.279 1.00 0.92 C ATOM 611 C SER A 40 -8.353 -16.090 -2.386 1.00 0.85 C ATOM 612 O SER A 40 -8.781 -16.445 -3.467 1.00 0.87 O ATOM 613 CB SER A 40 -7.531 -13.864 -3.167 1.00 1.10 C ATOM 614 OG SER A 40 -8.153 -14.313 -4.365 1.00 2.53 O ATOM 0 H SER A 40 -5.756 -15.637 -3.725 1.00 0.74 H new ATOM 0 HA SER A 40 -7.120 -14.742 -1.244 1.00 0.92 H new ATOM 0 HB2 SER A 40 -8.187 -13.170 -2.641 1.00 1.10 H new ATOM 0 HB3 SER A 40 -6.615 -13.322 -3.400 1.00 1.10 H new ATOM 0 HG SER A 40 -8.047 -15.284 -4.444 1.00 2.53 H new ATOM 620 N LYS A 41 -8.842 -16.566 -1.274 1.00 0.89 N ATOM 621 CA LYS A 41 -9.949 -17.563 -1.314 1.00 0.89 C ATOM 622 C LYS A 41 -10.769 -17.466 -0.027 1.00 0.42 C ATOM 623 O LYS A 41 -11.789 -16.807 0.022 1.00 0.81 O ATOM 624 CB LYS A 41 -9.361 -18.971 -1.439 1.00 1.13 C ATOM 625 CG LYS A 41 -7.899 -18.956 -0.991 1.00 0.91 C ATOM 626 CD LYS A 41 -7.370 -20.391 -0.926 1.00 0.52 C ATOM 627 CE LYS A 41 -7.058 -20.756 0.526 1.00 1.96 C ATOM 628 NZ LYS A 41 -6.520 -22.144 0.586 1.00 2.24 N ATOM 0 H LYS A 41 -8.523 -16.308 -0.340 1.00 0.89 H new ATOM 0 HA LYS A 41 -10.592 -17.359 -2.170 1.00 0.89 H new ATOM 0 HB2 LYS A 41 -9.932 -19.670 -0.828 1.00 1.13 H new ATOM 0 HB3 LYS A 41 -9.433 -19.316 -2.470 1.00 1.13 H new ATOM 0 HG2 LYS A 41 -7.300 -18.368 -1.687 1.00 0.91 H new ATOM 0 HG3 LYS A 41 -7.812 -18.480 -0.014 1.00 0.91 H new ATOM 0 HD2 LYS A 41 -8.109 -21.081 -1.335 1.00 0.52 H new ATOM 0 HD3 LYS A 41 -6.472 -20.487 -1.537 1.00 0.52 H new ATOM 0 HE2 LYS A 41 -6.333 -20.056 0.940 1.00 1.96 H new ATOM 0 HE3 LYS A 41 -7.960 -20.678 1.133 1.00 1.96 H new ATOM 0 HZ1 LYS A 41 -6.308 -22.392 1.574 1.00 2.24 H new ATOM 0 HZ2 LYS A 41 -7.226 -22.807 0.207 1.00 2.24 H new ATOM 0 HZ3 LYS A 41 -5.650 -22.204 0.020 1.00 2.24 H new ATOM 642 N ASP A 42 -10.334 -18.116 1.017 1.00 0.20 N ATOM 643 CA ASP A 42 -11.090 -18.059 2.300 1.00 0.64 C ATOM 644 C ASP A 42 -10.900 -16.684 2.944 1.00 0.59 C ATOM 645 O ASP A 42 -11.328 -16.444 4.055 1.00 0.95 O ATOM 646 CB ASP A 42 -10.571 -19.143 3.247 1.00 1.14 C ATOM 647 CG ASP A 42 -11.349 -20.439 3.017 1.00 1.09 C ATOM 648 OD1 ASP A 42 -11.937 -20.574 1.957 1.00 1.58 O ATOM 649 OD2 ASP A 42 -11.344 -21.276 3.905 1.00 1.87 O ATOM 0 H ASP A 42 -9.487 -18.684 1.037 1.00 0.20 H new ATOM 0 HA ASP A 42 -12.149 -18.225 2.105 1.00 0.64 H new ATOM 0 HB2 ASP A 42 -9.507 -19.310 3.077 1.00 1.14 H new ATOM 0 HB3 ASP A 42 -10.681 -18.819 4.282 1.00 1.14 H new ATOM 654 N THR A 43 -10.261 -15.780 2.255 1.00 0.24 N ATOM 655 CA THR A 43 -10.044 -14.422 2.828 1.00 0.26 C ATOM 656 C THR A 43 -11.184 -13.498 2.396 1.00 0.19 C ATOM 657 O THR A 43 -12.088 -13.899 1.690 1.00 0.98 O ATOM 658 CB THR A 43 -8.713 -13.860 2.321 1.00 0.46 C ATOM 659 OG1 THR A 43 -8.932 -13.143 1.115 1.00 0.95 O ATOM 660 CG2 THR A 43 -7.737 -15.009 2.065 1.00 1.37 C ATOM 0 H THR A 43 -9.880 -15.923 1.320 1.00 0.24 H new ATOM 0 HA THR A 43 -10.020 -14.487 3.916 1.00 0.26 H new ATOM 0 HB THR A 43 -8.292 -13.190 3.070 1.00 0.46 H new ATOM 0 HG1 THR A 43 -8.081 -12.781 0.790 1.00 0.95 H new ATOM 0 HG21 THR A 43 -6.790 -14.608 1.704 1.00 1.37 H new ATOM 0 HG22 THR A 43 -7.569 -15.557 2.992 1.00 1.37 H new ATOM 0 HG23 THR A 43 -8.155 -15.682 1.316 1.00 1.37 H new ATOM 668 N THR A 44 -11.149 -12.261 2.813 1.00 0.72 N ATOM 669 CA THR A 44 -12.231 -11.313 2.427 1.00 0.53 C ATOM 670 C THR A 44 -11.648 -9.905 2.285 1.00 0.40 C ATOM 671 O THR A 44 -10.521 -9.650 2.658 1.00 0.52 O ATOM 672 CB THR A 44 -13.317 -11.309 3.506 1.00 0.47 C ATOM 673 OG1 THR A 44 -12.758 -10.864 4.735 1.00 0.65 O ATOM 674 CG2 THR A 44 -13.873 -12.723 3.678 1.00 0.96 C ATOM 0 H THR A 44 -10.417 -11.867 3.404 1.00 0.72 H new ATOM 0 HA THR A 44 -12.665 -11.625 1.477 1.00 0.53 H new ATOM 0 HB THR A 44 -14.123 -10.639 3.209 1.00 0.47 H new ATOM 0 HG1 THR A 44 -13.452 -10.859 5.427 1.00 0.65 H new ATOM 0 HG21 THR A 44 -14.646 -12.719 4.446 1.00 0.96 H new ATOM 0 HG22 THR A 44 -14.301 -13.063 2.735 1.00 0.96 H new ATOM 0 HG23 THR A 44 -13.069 -13.396 3.976 1.00 0.96 H new ATOM 682 N GLU A 45 -12.407 -8.990 1.748 1.00 0.43 N ATOM 683 CA GLU A 45 -11.896 -7.601 1.582 1.00 0.37 C ATOM 684 C GLU A 45 -11.245 -7.137 2.887 1.00 0.33 C ATOM 685 O GLU A 45 -10.166 -6.578 2.890 1.00 0.27 O ATOM 686 CB GLU A 45 -13.058 -6.668 1.233 1.00 0.28 C ATOM 687 CG GLU A 45 -14.231 -7.491 0.699 1.00 0.21 C ATOM 688 CD GLU A 45 -15.265 -6.556 0.067 1.00 0.98 C ATOM 689 OE1 GLU A 45 -15.913 -5.835 0.807 1.00 1.67 O ATOM 690 OE2 GLU A 45 -15.390 -6.578 -1.146 1.00 1.77 O ATOM 0 H GLU A 45 -13.359 -9.145 1.417 1.00 0.43 H new ATOM 0 HA GLU A 45 -11.158 -7.579 0.780 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -13.366 -6.107 2.116 1.00 0.28 H new ATOM 0 HB3 GLU A 45 -12.742 -5.939 0.487 1.00 0.28 H new ATOM 0 HG2 GLU A 45 -13.878 -8.211 -0.039 1.00 0.21 H new ATOM 0 HG3 GLU A 45 -14.687 -8.061 1.508 1.00 0.21 H new ATOM 697 N LYS A 46 -11.892 -7.365 3.997 1.00 0.37 N ATOM 698 CA LYS A 46 -11.310 -6.937 5.301 1.00 0.35 C ATOM 699 C LYS A 46 -9.925 -7.565 5.472 1.00 0.32 C ATOM 700 O LYS A 46 -8.937 -6.876 5.636 1.00 0.28 O ATOM 701 CB LYS A 46 -12.221 -7.396 6.441 1.00 0.42 C ATOM 702 CG LYS A 46 -13.609 -6.774 6.267 1.00 0.57 C ATOM 703 CD LYS A 46 -13.854 -5.754 7.381 1.00 0.67 C ATOM 704 CE LYS A 46 -15.224 -5.103 7.184 1.00 1.47 C ATOM 705 NZ LYS A 46 -15.061 -3.807 6.464 1.00 2.34 N ATOM 0 H LYS A 46 -12.798 -7.829 4.058 1.00 0.37 H new ATOM 0 HA LYS A 46 -11.222 -5.851 5.320 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -12.296 -8.483 6.446 1.00 0.42 H new ATOM 0 HB3 LYS A 46 -11.797 -7.102 7.401 1.00 0.42 H new ATOM 0 HG2 LYS A 46 -13.683 -6.290 5.293 1.00 0.57 H new ATOM 0 HG3 LYS A 46 -14.373 -7.550 6.296 1.00 0.57 H new ATOM 0 HD2 LYS A 46 -13.809 -6.244 8.354 1.00 0.67 H new ATOM 0 HD3 LYS A 46 -13.073 -4.993 7.371 1.00 0.67 H new ATOM 0 HE2 LYS A 46 -15.876 -5.767 6.616 1.00 1.47 H new ATOM 0 HE3 LYS A 46 -15.702 -4.937 8.150 1.00 1.47 H new ATOM 0 HZ1 LYS A 46 -15.993 -3.365 6.330 1.00 2.34 H new ATOM 0 HZ2 LYS A 46 -14.454 -3.174 7.022 1.00 2.34 H new ATOM 0 HZ3 LYS A 46 -14.623 -3.978 5.537 1.00 2.34 H new ATOM 719 N GLU A 47 -9.843 -8.866 5.434 1.00 0.34 N ATOM 720 CA GLU A 47 -8.522 -9.536 5.596 1.00 0.31 C ATOM 721 C GLU A 47 -7.612 -9.158 4.425 1.00 0.25 C ATOM 722 O GLU A 47 -6.405 -9.275 4.502 1.00 0.22 O ATOM 723 CB GLU A 47 -8.719 -11.054 5.621 1.00 0.32 C ATOM 724 CG GLU A 47 -9.711 -11.423 6.724 1.00 0.83 C ATOM 725 CD GLU A 47 -9.097 -11.108 8.089 1.00 1.29 C ATOM 726 OE1 GLU A 47 -7.889 -10.946 8.151 1.00 2.11 O ATOM 727 OE2 GLU A 47 -9.845 -11.034 9.051 1.00 1.89 O ATOM 0 H GLU A 47 -10.634 -9.495 5.298 1.00 0.34 H new ATOM 0 HA GLU A 47 -8.063 -9.214 6.531 1.00 0.31 H new ATOM 0 HB2 GLU A 47 -9.088 -11.399 4.655 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -7.765 -11.552 5.794 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -10.639 -10.867 6.594 1.00 0.83 H new ATOM 0 HG3 GLU A 47 -9.963 -12.482 6.662 1.00 0.83 H new ATOM 734 N THR A 48 -8.181 -8.706 3.341 1.00 0.25 N ATOM 735 CA THR A 48 -7.347 -8.322 2.167 1.00 0.20 C ATOM 736 C THR A 48 -6.631 -7.004 2.460 1.00 0.22 C ATOM 737 O THR A 48 -5.444 -6.867 2.236 1.00 0.26 O ATOM 738 CB THR A 48 -8.244 -8.153 0.938 1.00 0.20 C ATOM 739 OG1 THR A 48 -9.083 -9.292 0.806 1.00 0.22 O ATOM 740 CG2 THR A 48 -7.377 -8.009 -0.313 1.00 0.19 C ATOM 0 H THR A 48 -9.186 -8.586 3.218 1.00 0.25 H new ATOM 0 HA THR A 48 -6.609 -9.101 1.975 1.00 0.20 H new ATOM 0 HB THR A 48 -8.858 -7.260 1.056 1.00 0.20 H new ATOM 0 HG1 THR A 48 -9.452 -9.529 1.682 1.00 0.22 H new ATOM 0 HG21 THR A 48 -8.017 -7.889 -1.187 1.00 0.19 H new ATOM 0 HG22 THR A 48 -6.734 -7.135 -0.211 1.00 0.19 H new ATOM 0 HG23 THR A 48 -6.762 -8.900 -0.434 1.00 0.19 H new ATOM 748 N PHE A 49 -7.341 -6.029 2.959 1.00 0.18 N ATOM 749 CA PHE A 49 -6.699 -4.720 3.266 1.00 0.19 C ATOM 750 C PHE A 49 -5.686 -4.901 4.398 1.00 0.20 C ATOM 751 O PHE A 49 -4.693 -4.203 4.473 1.00 0.21 O ATOM 752 CB PHE A 49 -7.770 -3.714 3.695 1.00 0.24 C ATOM 753 CG PHE A 49 -8.771 -3.538 2.578 1.00 0.25 C ATOM 754 CD1 PHE A 49 -8.367 -2.973 1.361 1.00 0.25 C ATOM 755 CD2 PHE A 49 -10.103 -3.937 2.756 1.00 0.29 C ATOM 756 CE1 PHE A 49 -9.294 -2.808 0.324 1.00 0.28 C ATOM 757 CE2 PHE A 49 -11.028 -3.771 1.718 1.00 0.30 C ATOM 758 CZ PHE A 49 -10.623 -3.207 0.503 1.00 0.29 C ATOM 0 H PHE A 49 -8.338 -6.083 3.167 1.00 0.18 H new ATOM 0 HA PHE A 49 -6.188 -4.349 2.378 1.00 0.19 H new ATOM 0 HB2 PHE A 49 -8.273 -4.064 4.597 1.00 0.24 H new ATOM 0 HB3 PHE A 49 -7.309 -2.757 3.939 1.00 0.24 H new ATOM 0 HD1 PHE A 49 -7.341 -2.665 1.223 1.00 0.25 H new ATOM 0 HD2 PHE A 49 -10.416 -4.372 3.694 1.00 0.29 H new ATOM 0 HE1 PHE A 49 -8.983 -2.373 -0.614 1.00 0.28 H new ATOM 0 HE2 PHE A 49 -12.054 -4.078 1.855 1.00 0.30 H new ATOM 0 HZ PHE A 49 -11.337 -3.080 -0.297 1.00 0.29 H new ATOM 768 N CYS A 50 -5.927 -5.832 5.280 1.00 0.21 N ATOM 769 CA CYS A 50 -4.976 -6.056 6.405 1.00 0.23 C ATOM 770 C CYS A 50 -3.637 -6.548 5.851 1.00 0.23 C ATOM 771 O CYS A 50 -2.616 -5.907 6.008 1.00 0.28 O ATOM 772 CB CYS A 50 -5.549 -7.107 7.358 1.00 0.22 C ATOM 773 SG CYS A 50 -4.192 -7.977 8.181 1.00 0.26 S ATOM 0 H CYS A 50 -6.741 -6.447 5.270 1.00 0.21 H new ATOM 0 HA CYS A 50 -4.826 -5.120 6.944 1.00 0.23 H new ATOM 0 HB2 CYS A 50 -6.192 -6.631 8.098 1.00 0.22 H new ATOM 0 HB3 CYS A 50 -6.168 -7.815 6.807 1.00 0.22 H new ATOM 778 N ARG A 51 -3.632 -7.682 5.205 1.00 0.21 N ATOM 779 CA ARG A 51 -2.360 -8.214 4.643 1.00 0.26 C ATOM 780 C ARG A 51 -1.679 -7.129 3.806 1.00 0.30 C ATOM 781 O ARG A 51 -0.498 -6.877 3.941 1.00 0.45 O ATOM 782 CB ARG A 51 -2.660 -9.427 3.760 1.00 0.22 C ATOM 783 CG ARG A 51 -2.907 -10.652 4.642 1.00 0.38 C ATOM 784 CD ARG A 51 -3.464 -11.793 3.788 1.00 0.20 C ATOM 785 NE ARG A 51 -3.268 -13.087 4.499 1.00 1.01 N ATOM 786 CZ ARG A 51 -3.919 -14.150 4.112 1.00 1.21 C ATOM 787 NH1 ARG A 51 -4.742 -14.078 3.101 1.00 0.69 N ATOM 788 NH2 ARG A 51 -3.748 -15.284 4.735 1.00 2.18 N ATOM 0 H ARG A 51 -4.455 -8.263 5.042 1.00 0.21 H new ATOM 0 HA ARG A 51 -1.700 -8.512 5.457 1.00 0.26 H new ATOM 0 HB2 ARG A 51 -3.534 -9.231 3.139 1.00 0.22 H new ATOM 0 HB3 ARG A 51 -1.825 -9.614 3.085 1.00 0.22 H new ATOM 0 HG2 ARG A 51 -1.978 -10.962 5.120 1.00 0.38 H new ATOM 0 HG3 ARG A 51 -3.608 -10.404 5.439 1.00 0.38 H new ATOM 0 HD2 ARG A 51 -4.524 -11.631 3.592 1.00 0.20 H new ATOM 0 HD3 ARG A 51 -2.961 -11.817 2.821 1.00 0.20 H new ATOM 0 HE ARG A 51 -2.625 -13.142 5.289 1.00 1.01 H new ATOM 0 HH11 ARG A 51 -4.876 -13.192 2.614 1.00 0.69 H new ATOM 0 HH12 ARG A 51 -5.251 -14.908 2.798 1.00 0.69 H new ATOM 0 HH21 ARG A 51 -3.105 -15.340 5.525 1.00 2.18 H new ATOM 0 HH22 ARG A 51 -4.257 -16.114 4.432 1.00 2.18 H new ATOM 802 N ALA A 52 -2.414 -6.484 2.941 1.00 0.24 N ATOM 803 CA ALA A 52 -1.808 -5.417 2.098 1.00 0.30 C ATOM 804 C ALA A 52 -1.015 -4.455 2.985 1.00 0.33 C ATOM 805 O ALA A 52 0.063 -4.017 2.635 1.00 0.49 O ATOM 806 CB ALA A 52 -2.916 -4.648 1.375 1.00 0.29 C ATOM 0 H ALA A 52 -3.408 -6.651 2.783 1.00 0.24 H new ATOM 0 HA ALA A 52 -1.140 -5.869 1.364 1.00 0.30 H new ATOM 0 HB1 ALA A 52 -2.473 -3.866 0.758 1.00 0.29 H new ATOM 0 HB2 ALA A 52 -3.482 -5.333 0.743 1.00 0.29 H new ATOM 0 HB3 ALA A 52 -3.584 -4.196 2.109 1.00 0.29 H new ATOM 812 N ALA A 53 -1.540 -4.121 4.132 1.00 0.18 N ATOM 813 CA ALA A 53 -0.816 -3.188 5.040 1.00 0.21 C ATOM 814 C ALA A 53 0.383 -3.907 5.661 1.00 0.20 C ATOM 815 O ALA A 53 1.473 -3.376 5.723 1.00 0.21 O ATOM 816 CB ALA A 53 -1.761 -2.719 6.149 1.00 0.23 C ATOM 0 H ALA A 53 -2.439 -4.454 4.479 1.00 0.18 H new ATOM 0 HA ALA A 53 -0.467 -2.326 4.471 1.00 0.21 H new ATOM 0 HB1 ALA A 53 -1.232 -2.036 6.814 1.00 0.23 H new ATOM 0 HB2 ALA A 53 -2.615 -2.206 5.707 1.00 0.23 H new ATOM 0 HB3 ALA A 53 -2.111 -3.581 6.718 1.00 0.23 H new ATOM 822 N THR A 54 0.190 -5.113 6.123 1.00 0.18 N ATOM 823 CA THR A 54 1.319 -5.864 6.738 1.00 0.18 C ATOM 824 C THR A 54 2.542 -5.783 5.823 1.00 0.16 C ATOM 825 O THR A 54 3.651 -5.565 6.268 1.00 0.15 O ATOM 826 CB THR A 54 0.917 -7.329 6.925 1.00 0.18 C ATOM 827 OG1 THR A 54 -0.328 -7.393 7.606 1.00 0.20 O ATOM 828 CG2 THR A 54 1.987 -8.054 7.743 1.00 0.19 C ATOM 0 H THR A 54 -0.701 -5.609 6.101 1.00 0.18 H new ATOM 0 HA THR A 54 1.560 -5.428 7.707 1.00 0.18 H new ATOM 0 HB THR A 54 0.823 -7.808 5.950 1.00 0.18 H new ATOM 0 HG1 THR A 54 -0.588 -8.330 7.725 1.00 0.20 H new ATOM 0 HG21 THR A 54 1.699 -9.097 7.875 1.00 0.19 H new ATOM 0 HG22 THR A 54 2.941 -8.005 7.219 1.00 0.19 H new ATOM 0 HG23 THR A 54 2.084 -7.578 8.719 1.00 0.19 H new ATOM 836 N VAL A 55 2.348 -5.955 4.544 1.00 0.16 N ATOM 837 CA VAL A 55 3.499 -5.886 3.600 1.00 0.14 C ATOM 838 C VAL A 55 4.056 -4.461 3.581 1.00 0.17 C ATOM 839 O VAL A 55 5.237 -4.242 3.762 1.00 0.29 O ATOM 840 CB VAL A 55 3.030 -6.270 2.196 1.00 0.12 C ATOM 841 CG1 VAL A 55 4.233 -6.327 1.252 1.00 0.14 C ATOM 842 CG2 VAL A 55 2.355 -7.642 2.242 1.00 0.22 C ATOM 0 H VAL A 55 1.443 -6.140 4.112 1.00 0.16 H new ATOM 0 HA VAL A 55 4.278 -6.576 3.924 1.00 0.14 H new ATOM 0 HB VAL A 55 2.320 -5.526 1.835 1.00 0.12 H new ATOM 0 HG11 VAL A 55 3.898 -6.601 0.252 1.00 0.14 H new ATOM 0 HG12 VAL A 55 4.716 -5.350 1.218 1.00 0.14 H new ATOM 0 HG13 VAL A 55 4.944 -7.071 1.613 1.00 0.14 H new ATOM 0 HG21 VAL A 55 2.020 -7.917 1.242 1.00 0.22 H new ATOM 0 HG22 VAL A 55 3.066 -8.385 2.604 1.00 0.22 H new ATOM 0 HG23 VAL A 55 1.497 -7.603 2.914 1.00 0.22 H new ATOM 852 N LEU A 56 3.213 -3.490 3.365 1.00 0.18 N ATOM 853 CA LEU A 56 3.694 -2.081 3.337 1.00 0.19 C ATOM 854 C LEU A 56 4.477 -1.788 4.619 1.00 0.13 C ATOM 855 O LEU A 56 5.427 -1.031 4.620 1.00 0.13 O ATOM 856 CB LEU A 56 2.494 -1.135 3.244 1.00 0.22 C ATOM 857 CG LEU A 56 2.228 -0.785 1.779 1.00 0.78 C ATOM 858 CD1 LEU A 56 0.791 -0.285 1.627 1.00 0.38 C ATOM 859 CD2 LEU A 56 3.195 0.314 1.327 1.00 1.70 C ATOM 0 H LEU A 56 2.213 -3.611 3.207 1.00 0.18 H new ATOM 0 HA LEU A 56 4.341 -1.932 2.472 1.00 0.19 H new ATOM 0 HB2 LEU A 56 1.613 -1.605 3.682 1.00 0.22 H new ATOM 0 HB3 LEU A 56 2.689 -0.227 3.816 1.00 0.22 H new ATOM 0 HG LEU A 56 2.375 -1.674 1.165 1.00 0.78 H new ATOM 0 HD11 LEU A 56 0.601 -0.035 0.583 1.00 0.38 H new ATOM 0 HD12 LEU A 56 0.099 -1.065 1.945 1.00 0.38 H new ATOM 0 HD13 LEU A 56 0.647 0.602 2.244 1.00 0.38 H new ATOM 0 HD21 LEU A 56 3.003 0.561 0.283 1.00 1.70 H new ATOM 0 HD22 LEU A 56 3.050 1.202 1.942 1.00 1.70 H new ATOM 0 HD23 LEU A 56 4.221 -0.038 1.434 1.00 1.70 H new ATOM 871 N ARG A 57 4.086 -2.385 5.711 1.00 0.13 N ATOM 872 CA ARG A 57 4.808 -2.142 6.992 1.00 0.13 C ATOM 873 C ARG A 57 6.247 -2.646 6.876 1.00 0.11 C ATOM 874 O ARG A 57 7.188 -1.880 6.907 1.00 0.18 O ATOM 875 CB ARG A 57 4.097 -2.884 8.126 1.00 0.18 C ATOM 876 CG ARG A 57 4.820 -2.613 9.446 1.00 0.74 C ATOM 877 CD ARG A 57 3.866 -2.874 10.614 1.00 0.51 C ATOM 878 NE ARG A 57 2.841 -3.874 10.204 1.00 1.37 N ATOM 879 CZ ARG A 57 2.111 -4.469 11.107 1.00 1.55 C ATOM 880 NH1 ARG A 57 2.280 -4.187 12.371 1.00 0.33 N ATOM 881 NH2 ARG A 57 1.214 -5.345 10.748 1.00 3.15 N ATOM 0 H ARG A 57 3.298 -3.030 5.772 1.00 0.13 H new ATOM 0 HA ARG A 57 4.817 -1.073 7.205 1.00 0.13 H new ATOM 0 HB2 ARG A 57 3.059 -2.557 8.194 1.00 0.18 H new ATOM 0 HB3 ARG A 57 4.082 -3.954 7.921 1.00 0.18 H new ATOM 0 HG2 ARG A 57 5.698 -3.253 9.530 1.00 0.74 H new ATOM 0 HG3 ARG A 57 5.173 -1.582 9.474 1.00 0.74 H new ATOM 0 HD2 ARG A 57 4.422 -3.240 11.477 1.00 0.51 H new ATOM 0 HD3 ARG A 57 3.383 -1.945 10.917 1.00 0.51 H new ATOM 0 HE ARG A 57 2.710 -4.094 9.217 1.00 1.37 H new ATOM 0 HH11 ARG A 57 2.982 -3.502 12.651 1.00 0.33 H new ATOM 0 HH12 ARG A 57 1.710 -4.652 13.078 1.00 0.33 H new ATOM 0 HH21 ARG A 57 1.083 -5.565 9.761 1.00 3.15 H new ATOM 0 HH22 ARG A 57 0.644 -5.810 11.454 1.00 3.15 H new ATOM 895 N GLN A 58 6.427 -3.933 6.747 1.00 0.09 N ATOM 896 CA GLN A 58 7.807 -4.485 6.636 1.00 0.13 C ATOM 897 C GLN A 58 8.465 -3.984 5.347 1.00 0.24 C ATOM 898 O GLN A 58 9.602 -4.299 5.059 1.00 0.34 O ATOM 899 CB GLN A 58 7.748 -6.016 6.619 1.00 0.14 C ATOM 900 CG GLN A 58 6.899 -6.489 5.436 1.00 0.25 C ATOM 901 CD GLN A 58 7.752 -6.506 4.166 1.00 1.46 C ATOM 902 OE1 GLN A 58 8.897 -6.915 4.196 1.00 2.01 O ATOM 903 NE2 GLN A 58 7.241 -6.077 3.046 1.00 2.68 N ATOM 0 H GLN A 58 5.678 -4.625 6.714 1.00 0.09 H new ATOM 0 HA GLN A 58 8.395 -4.153 7.492 1.00 0.13 H new ATOM 0 HB2 GLN A 58 8.755 -6.427 6.543 1.00 0.14 H new ATOM 0 HB3 GLN A 58 7.323 -6.383 7.553 1.00 0.14 H new ATOM 0 HG2 GLN A 58 6.504 -7.485 5.634 1.00 0.25 H new ATOM 0 HG3 GLN A 58 6.043 -5.828 5.302 1.00 0.25 H new ATOM 0 HE21 GLN A 58 6.281 -5.734 3.022 1.00 2.68 H new ATOM 0 HE22 GLN A 58 7.802 -6.084 2.194 1.00 2.68 H new ATOM 912 N PHE A 59 7.763 -3.205 4.568 1.00 0.22 N ATOM 913 CA PHE A 59 8.360 -2.691 3.302 1.00 0.33 C ATOM 914 C PHE A 59 9.168 -1.424 3.588 1.00 0.38 C ATOM 915 O PHE A 59 10.382 -1.427 3.534 1.00 0.49 O ATOM 916 CB PHE A 59 7.250 -2.368 2.300 1.00 0.31 C ATOM 917 CG PHE A 59 7.869 -1.951 0.987 1.00 0.38 C ATOM 918 CD1 PHE A 59 8.341 -2.922 0.096 1.00 0.38 C ATOM 919 CD2 PHE A 59 7.972 -0.592 0.663 1.00 0.43 C ATOM 920 CE1 PHE A 59 8.917 -2.534 -1.121 1.00 0.43 C ATOM 921 CE2 PHE A 59 8.547 -0.205 -0.553 1.00 0.49 C ATOM 922 CZ PHE A 59 9.019 -1.176 -1.445 1.00 0.49 C ATOM 0 H PHE A 59 6.806 -2.904 4.753 1.00 0.22 H new ATOM 0 HA PHE A 59 9.016 -3.454 2.884 1.00 0.33 H new ATOM 0 HB2 PHE A 59 6.611 -3.239 2.154 1.00 0.31 H new ATOM 0 HB3 PHE A 59 6.616 -1.570 2.686 1.00 0.31 H new ATOM 0 HD1 PHE A 59 8.261 -3.970 0.346 1.00 0.38 H new ATOM 0 HD2 PHE A 59 7.608 0.157 1.351 1.00 0.43 H new ATOM 0 HE1 PHE A 59 9.282 -3.282 -1.809 1.00 0.43 H new ATOM 0 HE2 PHE A 59 8.627 0.843 -0.803 1.00 0.49 H new ATOM 0 HZ PHE A 59 9.462 -0.877 -2.383 1.00 0.49 H new ATOM 932 N TYR A 60 8.507 -0.337 3.886 1.00 0.33 N ATOM 933 CA TYR A 60 9.246 0.927 4.166 1.00 0.43 C ATOM 934 C TYR A 60 9.888 0.856 5.552 1.00 0.46 C ATOM 935 O TYR A 60 10.618 1.741 5.952 1.00 0.55 O ATOM 936 CB TYR A 60 8.278 2.113 4.107 1.00 0.43 C ATOM 937 CG TYR A 60 7.265 2.004 5.223 1.00 0.37 C ATOM 938 CD1 TYR A 60 7.606 2.399 6.522 1.00 0.45 C ATOM 939 CD2 TYR A 60 5.984 1.509 4.955 1.00 0.28 C ATOM 940 CE1 TYR A 60 6.664 2.297 7.554 1.00 0.45 C ATOM 941 CE2 TYR A 60 5.043 1.407 5.987 1.00 0.29 C ATOM 942 CZ TYR A 60 5.384 1.801 7.285 1.00 0.39 C ATOM 943 OH TYR A 60 4.455 1.701 8.302 1.00 0.45 O ATOM 0 H TYR A 60 7.491 -0.270 3.947 1.00 0.33 H new ATOM 0 HA TYR A 60 10.026 1.060 3.416 1.00 0.43 H new ATOM 0 HB2 TYR A 60 8.830 3.049 4.195 1.00 0.43 H new ATOM 0 HB3 TYR A 60 7.770 2.132 3.143 1.00 0.43 H new ATOM 0 HD1 TYR A 60 8.594 2.782 6.728 1.00 0.45 H new ATOM 0 HD2 TYR A 60 5.721 1.206 3.952 1.00 0.28 H new ATOM 0 HE1 TYR A 60 6.926 2.601 8.557 1.00 0.45 H new ATOM 0 HE2 TYR A 60 4.054 1.024 5.781 1.00 0.29 H new ATOM 0 HH TYR A 60 3.553 1.807 7.933 1.00 0.45 H new ATOM 953 N SER A 61 9.624 -0.187 6.291 1.00 0.39 N ATOM 954 CA SER A 61 10.226 -0.305 7.650 1.00 0.42 C ATOM 955 C SER A 61 11.547 -1.072 7.559 1.00 0.49 C ATOM 956 O SER A 61 12.509 -0.751 8.226 1.00 0.59 O ATOM 957 CB SER A 61 9.263 -1.055 8.571 1.00 0.31 C ATOM 958 OG SER A 61 8.003 -0.398 8.567 1.00 0.38 O ATOM 0 H SER A 61 9.019 -0.960 6.014 1.00 0.39 H new ATOM 0 HA SER A 61 10.412 0.691 8.052 1.00 0.42 H new ATOM 0 HB2 SER A 61 9.150 -2.086 8.236 1.00 0.31 H new ATOM 0 HB3 SER A 61 9.664 -1.091 9.584 1.00 0.31 H new ATOM 0 HG SER A 61 7.512 -0.638 7.754 1.00 0.38 H new ATOM 964 N HIS A 62 11.601 -2.083 6.735 1.00 0.49 N ATOM 965 CA HIS A 62 12.860 -2.869 6.602 1.00 0.63 C ATOM 966 C HIS A 62 13.730 -2.258 5.502 1.00 0.73 C ATOM 967 O HIS A 62 14.929 -2.450 5.468 1.00 1.07 O ATOM 968 CB HIS A 62 12.522 -4.317 6.241 1.00 0.66 C ATOM 969 CG HIS A 62 11.719 -4.937 7.352 1.00 0.91 C ATOM 970 ND1 HIS A 62 11.120 -4.177 8.344 1.00 1.29 N ATOM 971 CD2 HIS A 62 11.408 -6.242 7.641 1.00 1.59 C ATOM 972 CE1 HIS A 62 10.485 -5.023 9.176 1.00 1.57 C ATOM 973 NE2 HIS A 62 10.629 -6.294 8.793 1.00 1.60 N ATOM 0 H HIS A 62 10.828 -2.398 6.149 1.00 0.49 H new ATOM 0 HA HIS A 62 13.403 -2.848 7.547 1.00 0.63 H new ATOM 0 HB2 HIS A 62 11.958 -4.348 5.309 1.00 0.66 H new ATOM 0 HB3 HIS A 62 13.438 -4.886 6.079 1.00 0.66 H new ATOM 0 HD2 HIS A 62 11.720 -7.099 7.062 1.00 1.59 H new ATOM 0 HE1 HIS A 62 9.927 -4.712 10.047 1.00 1.57 H new ATOM 0 HE2 HIS A 62 10.250 -7.125 9.247 1.00 1.60 H new ATOM 981 N HIS A 63 13.135 -1.526 4.599 1.00 0.47 N ATOM 982 CA HIS A 63 13.930 -0.907 3.501 1.00 0.54 C ATOM 983 C HIS A 63 14.454 0.457 3.956 1.00 0.57 C ATOM 984 O HIS A 63 15.625 0.754 3.831 1.00 0.63 O ATOM 985 CB HIS A 63 13.041 -0.728 2.268 1.00 0.52 C ATOM 986 CG HIS A 63 12.568 -2.073 1.792 1.00 0.53 C ATOM 987 ND1 HIS A 63 13.401 -3.181 1.759 1.00 0.71 N ATOM 988 CD2 HIS A 63 11.351 -2.506 1.326 1.00 0.56 C ATOM 989 CE1 HIS A 63 12.681 -4.216 1.288 1.00 0.79 C ATOM 990 NE2 HIS A 63 11.424 -3.859 1.009 1.00 0.67 N ATOM 0 H HIS A 63 12.134 -1.330 4.575 1.00 0.47 H new ATOM 0 HA HIS A 63 14.772 -1.553 3.252 1.00 0.54 H new ATOM 0 HB2 HIS A 63 12.187 -0.095 2.511 1.00 0.52 H new ATOM 0 HB3 HIS A 63 13.596 -0.225 1.476 1.00 0.52 H new ATOM 0 HD2 HIS A 63 10.470 -1.890 1.221 1.00 0.56 H new ATOM 0 HE1 HIS A 63 13.072 -5.214 1.152 1.00 0.79 H new ATOM 0 HE2 HIS A 63 10.678 -4.451 0.643 1.00 0.67 H new ATOM 998 N GLU A 64 13.596 1.289 4.480 1.00 0.55 N ATOM 999 CA GLU A 64 14.047 2.632 4.940 1.00 0.61 C ATOM 1000 C GLU A 64 15.317 2.482 5.782 1.00 0.63 C ATOM 1001 O GLU A 64 16.030 3.437 6.022 1.00 0.50 O ATOM 1002 CB GLU A 64 12.948 3.277 5.787 1.00 0.59 C ATOM 1003 CG GLU A 64 13.439 4.622 6.326 1.00 0.69 C ATOM 1004 CD GLU A 64 12.262 5.393 6.925 1.00 1.03 C ATOM 1005 OE1 GLU A 64 11.279 4.760 7.272 1.00 1.69 O ATOM 1006 OE2 GLU A 64 12.364 6.605 7.027 1.00 1.40 O ATOM 0 H GLU A 64 12.603 1.097 4.609 1.00 0.55 H new ATOM 0 HA GLU A 64 14.256 3.261 4.075 1.00 0.61 H new ATOM 0 HB2 GLU A 64 12.049 3.420 5.187 1.00 0.59 H new ATOM 0 HB3 GLU A 64 12.678 2.619 6.613 1.00 0.59 H new ATOM 0 HG2 GLU A 64 14.207 4.464 7.083 1.00 0.69 H new ATOM 0 HG3 GLU A 64 13.897 5.202 5.524 1.00 0.69 H new ATOM 1013 N LYS A 65 15.605 1.291 6.230 1.00 0.80 N ATOM 1014 CA LYS A 65 16.828 1.081 7.055 1.00 0.84 C ATOM 1015 C LYS A 65 17.997 0.699 6.144 1.00 0.82 C ATOM 1016 O LYS A 65 19.130 1.066 6.385 1.00 0.80 O ATOM 1017 CB LYS A 65 16.577 -0.043 8.063 1.00 0.98 C ATOM 1018 CG LYS A 65 16.036 0.549 9.365 1.00 0.76 C ATOM 1019 CD LYS A 65 14.737 1.307 9.080 1.00 1.61 C ATOM 1020 CE LYS A 65 13.821 1.227 10.303 1.00 1.39 C ATOM 1021 NZ LYS A 65 12.614 2.070 10.074 1.00 2.86 N ATOM 0 H LYS A 65 15.047 0.454 6.061 1.00 0.80 H new ATOM 0 HA LYS A 65 17.069 2.000 7.589 1.00 0.84 H new ATOM 0 HB2 LYS A 65 15.865 -0.760 7.654 1.00 0.98 H new ATOM 0 HB3 LYS A 65 17.502 -0.586 8.255 1.00 0.98 H new ATOM 0 HG2 LYS A 65 15.855 -0.244 10.090 1.00 0.76 H new ATOM 0 HG3 LYS A 65 16.773 1.221 9.805 1.00 0.76 H new ATOM 0 HD2 LYS A 65 14.955 2.348 8.843 1.00 1.61 H new ATOM 0 HD3 LYS A 65 14.238 0.880 8.210 1.00 1.61 H new ATOM 0 HE2 LYS A 65 13.527 0.193 10.484 1.00 1.39 H new ATOM 0 HE3 LYS A 65 14.352 1.567 11.192 1.00 1.39 H new ATOM 0 HZ1 LYS A 65 11.990 2.016 10.905 1.00 2.86 H new ATOM 0 HZ2 LYS A 65 12.904 3.057 9.922 1.00 2.86 H new ATOM 0 HZ3 LYS A 65 12.104 1.726 9.236 1.00 2.86 H new ATOM 1035 N ASP A 66 17.731 -0.037 5.099 1.00 0.84 N ATOM 1036 CA ASP A 66 18.828 -0.442 4.174 1.00 0.83 C ATOM 1037 C ASP A 66 19.278 0.770 3.357 1.00 0.72 C ATOM 1038 O ASP A 66 18.499 1.653 3.057 1.00 0.62 O ATOM 1039 CB ASP A 66 18.320 -1.533 3.230 1.00 0.91 C ATOM 1040 CG ASP A 66 19.502 -2.371 2.736 1.00 1.35 C ATOM 1041 OD1 ASP A 66 20.563 -1.803 2.538 1.00 2.15 O ATOM 1042 OD2 ASP A 66 19.325 -3.566 2.565 1.00 1.59 O ATOM 0 H ASP A 66 16.802 -0.375 4.846 1.00 0.84 H new ATOM 0 HA ASP A 66 19.670 -0.824 4.752 1.00 0.83 H new ATOM 0 HB2 ASP A 66 17.600 -2.169 3.745 1.00 0.91 H new ATOM 0 HB3 ASP A 66 17.800 -1.084 2.384 1.00 0.91 H new ATOM 1047 N THR A 67 20.531 0.821 2.994 1.00 0.75 N ATOM 1048 CA THR A 67 21.030 1.977 2.198 1.00 0.65 C ATOM 1049 C THR A 67 20.890 1.667 0.706 1.00 0.67 C ATOM 1050 O THR A 67 21.806 1.867 -0.067 1.00 0.66 O ATOM 1051 CB THR A 67 22.502 2.229 2.530 1.00 0.64 C ATOM 1052 OG1 THR A 67 23.254 1.054 2.260 1.00 0.72 O ATOM 1053 CG2 THR A 67 22.639 2.595 4.008 1.00 0.39 C ATOM 0 H THR A 67 21.230 0.112 3.215 1.00 0.75 H new ATOM 0 HA THR A 67 20.446 2.864 2.442 1.00 0.65 H new ATOM 0 HB THR A 67 22.877 3.050 1.919 1.00 0.64 H new ATOM 0 HG1 THR A 67 24.198 1.214 2.470 1.00 0.72 H new ATOM 0 HG21 THR A 67 23.688 2.774 4.243 1.00 0.39 H new ATOM 0 HG22 THR A 67 22.062 3.496 4.215 1.00 0.39 H new ATOM 0 HG23 THR A 67 22.265 1.776 4.622 1.00 0.39 H new ATOM 1061 N ARG A 68 19.749 1.178 0.297 1.00 0.72 N ATOM 1062 CA ARG A 68 19.544 0.851 -1.144 1.00 0.77 C ATOM 1063 C ARG A 68 18.783 1.988 -1.829 1.00 0.69 C ATOM 1064 O ARG A 68 19.243 2.559 -2.798 1.00 0.71 O ATOM 1065 CB ARG A 68 18.734 -0.443 -1.260 1.00 0.85 C ATOM 1066 CG ARG A 68 19.540 -1.606 -0.679 1.00 0.75 C ATOM 1067 CD ARG A 68 18.684 -2.873 -0.681 1.00 1.00 C ATOM 1068 NE ARG A 68 19.394 -3.952 -1.423 1.00 1.28 N ATOM 1069 CZ ARG A 68 19.002 -5.192 -1.306 1.00 2.04 C ATOM 1070 NH1 ARG A 68 17.989 -5.486 -0.538 1.00 3.09 N ATOM 1071 NH2 ARG A 68 19.625 -6.137 -1.956 1.00 2.33 N ATOM 0 H ARG A 68 18.948 0.991 0.901 1.00 0.72 H new ATOM 0 HA ARG A 68 20.513 0.723 -1.626 1.00 0.77 H new ATOM 0 HB2 ARG A 68 17.788 -0.341 -0.728 1.00 0.85 H new ATOM 0 HB3 ARG A 68 18.492 -0.640 -2.304 1.00 0.85 H new ATOM 0 HG2 ARG A 68 20.444 -1.765 -1.267 1.00 0.75 H new ATOM 0 HG3 ARG A 68 19.857 -1.371 0.337 1.00 0.75 H new ATOM 0 HD2 ARG A 68 18.485 -3.191 0.342 1.00 1.00 H new ATOM 0 HD3 ARG A 68 17.719 -2.672 -1.146 1.00 1.00 H new ATOM 0 HE ARG A 68 20.187 -3.722 -2.023 1.00 1.28 H new ATOM 0 HH11 ARG A 68 17.503 -4.747 -0.029 1.00 3.09 H new ATOM 0 HH12 ARG A 68 17.683 -6.455 -0.446 1.00 3.09 H new ATOM 0 HH21 ARG A 68 20.418 -5.907 -2.555 1.00 2.33 H new ATOM 0 HH22 ARG A 68 19.319 -7.106 -1.865 1.00 2.33 H new ATOM 1085 N CYS A 69 17.619 2.317 -1.338 1.00 0.61 N ATOM 1086 CA CYS A 69 16.825 3.413 -1.966 1.00 0.54 C ATOM 1087 C CYS A 69 17.121 4.738 -1.260 1.00 0.35 C ATOM 1088 O CYS A 69 16.524 5.754 -1.556 1.00 0.35 O ATOM 1089 CB CYS A 69 15.335 3.092 -1.844 1.00 0.64 C ATOM 1090 SG CYS A 69 15.106 1.297 -1.815 1.00 0.47 S ATOM 0 H CYS A 69 17.183 1.874 -0.529 1.00 0.61 H new ATOM 0 HA CYS A 69 17.097 3.499 -3.018 1.00 0.54 H new ATOM 0 HB2 CYS A 69 14.930 3.536 -0.935 1.00 0.64 H new ATOM 0 HB3 CYS A 69 14.789 3.526 -2.682 1.00 0.64 H new ATOM 1095 N LEU A 70 18.038 4.740 -0.331 1.00 0.30 N ATOM 1096 CA LEU A 70 18.365 6.006 0.385 1.00 0.42 C ATOM 1097 C LEU A 70 19.129 6.940 -0.555 1.00 0.73 C ATOM 1098 O LEU A 70 18.980 8.145 -0.504 1.00 1.01 O ATOM 1099 CB LEU A 70 19.233 5.692 1.608 1.00 0.26 C ATOM 1100 CG LEU A 70 18.341 5.320 2.800 1.00 0.29 C ATOM 1101 CD1 LEU A 70 19.209 4.774 3.935 1.00 0.44 C ATOM 1102 CD2 LEU A 70 17.578 6.554 3.301 1.00 0.48 C ATOM 0 H LEU A 70 18.573 3.923 -0.038 1.00 0.30 H new ATOM 0 HA LEU A 70 17.443 6.489 0.708 1.00 0.42 H new ATOM 0 HB2 LEU A 70 19.913 4.871 1.381 1.00 0.26 H new ATOM 0 HB3 LEU A 70 19.849 6.556 1.859 1.00 0.26 H new ATOM 0 HG LEU A 70 17.625 4.563 2.480 1.00 0.29 H new ATOM 0 HD11 LEU A 70 18.576 4.510 4.782 1.00 0.44 H new ATOM 0 HD12 LEU A 70 19.743 3.888 3.591 1.00 0.44 H new ATOM 0 HD13 LEU A 70 19.927 5.534 4.242 1.00 0.44 H new ATOM 0 HD21 LEU A 70 16.949 6.275 4.147 1.00 0.48 H new ATOM 0 HD22 LEU A 70 18.289 7.319 3.614 1.00 0.48 H new ATOM 0 HD23 LEU A 70 16.953 6.946 2.498 1.00 0.48 H new ATOM 1114 N GLY A 71 19.947 6.394 -1.413 1.00 0.95 N ATOM 1115 CA GLY A 71 20.720 7.253 -2.354 1.00 1.28 C ATOM 1116 C GLY A 71 21.962 7.796 -1.647 1.00 0.89 C ATOM 1117 O GLY A 71 22.427 7.240 -0.672 1.00 0.62 O ATOM 0 H GLY A 71 20.113 5.392 -1.503 1.00 0.95 H new ATOM 0 HA2 GLY A 71 21.011 6.677 -3.233 1.00 1.28 H new ATOM 0 HA3 GLY A 71 20.099 8.077 -2.705 1.00 1.28 H new ATOM 1121 N ALA A 72 22.505 8.880 -2.131 1.00 0.95 N ATOM 1122 CA ALA A 72 23.718 9.458 -1.485 1.00 0.58 C ATOM 1123 C ALA A 72 23.710 10.978 -1.653 1.00 0.57 C ATOM 1124 O ALA A 72 24.109 11.712 -0.770 1.00 0.60 O ATOM 1125 CB ALA A 72 24.972 8.879 -2.143 1.00 0.67 C ATOM 0 H ALA A 72 22.162 9.390 -2.945 1.00 0.95 H new ATOM 0 HA ALA A 72 23.717 9.210 -0.424 1.00 0.58 H new ATOM 0 HB1 ALA A 72 25.859 9.302 -1.671 1.00 0.67 H new ATOM 0 HB2 ALA A 72 24.978 7.796 -2.023 1.00 0.67 H new ATOM 0 HB3 ALA A 72 24.973 9.127 -3.204 1.00 0.67 H new ATOM 1131 N THR A 73 23.258 11.458 -2.779 1.00 0.79 N ATOM 1132 CA THR A 73 23.226 12.931 -3.002 1.00 1.02 C ATOM 1133 C THR A 73 22.277 13.578 -1.991 1.00 0.98 C ATOM 1134 O THR A 73 21.680 12.911 -1.169 1.00 0.91 O ATOM 1135 CB THR A 73 22.731 13.221 -4.422 1.00 1.35 C ATOM 1136 OG1 THR A 73 21.417 12.708 -4.578 1.00 1.84 O ATOM 1137 CG2 THR A 73 23.665 12.556 -5.434 1.00 0.76 C ATOM 0 H THR A 73 22.910 10.894 -3.554 1.00 0.79 H new ATOM 0 HA THR A 73 24.228 13.340 -2.875 1.00 1.02 H new ATOM 0 HB THR A 73 22.722 14.298 -4.592 1.00 1.35 H new ATOM 0 HG1 THR A 73 21.219 12.601 -5.532 1.00 1.84 H new ATOM 0 HG21 THR A 73 23.313 12.762 -6.445 1.00 0.76 H new ATOM 0 HG22 THR A 73 24.673 12.952 -5.313 1.00 0.76 H new ATOM 0 HG23 THR A 73 23.676 11.479 -5.266 1.00 0.76 H new ATOM 1145 N ALA A 74 22.135 14.874 -2.043 1.00 1.04 N ATOM 1146 CA ALA A 74 21.225 15.563 -1.084 1.00 1.02 C ATOM 1147 C ALA A 74 19.819 15.639 -1.680 1.00 1.03 C ATOM 1148 O ALA A 74 18.843 15.803 -0.974 1.00 1.08 O ATOM 1149 CB ALA A 74 21.743 16.978 -0.815 1.00 1.12 C ATOM 0 H ALA A 74 22.609 15.485 -2.707 1.00 1.04 H new ATOM 0 HA ALA A 74 21.193 15.004 -0.149 1.00 1.02 H new ATOM 0 HB1 ALA A 74 21.078 17.482 -0.114 1.00 1.12 H new ATOM 0 HB2 ALA A 74 22.745 16.924 -0.389 1.00 1.12 H new ATOM 0 HB3 ALA A 74 21.776 17.537 -1.750 1.00 1.12 H new ATOM 1155 N GLN A 75 19.706 15.523 -2.974 1.00 0.99 N ATOM 1156 CA GLN A 75 18.362 15.590 -3.615 1.00 0.99 C ATOM 1157 C GLN A 75 17.687 14.220 -3.526 1.00 0.84 C ATOM 1158 O GLN A 75 16.532 14.109 -3.162 1.00 0.91 O ATOM 1159 CB GLN A 75 18.516 15.988 -5.084 1.00 1.15 C ATOM 1160 CG GLN A 75 19.363 14.943 -5.811 1.00 1.14 C ATOM 1161 CD GLN A 75 19.944 15.554 -7.088 1.00 1.25 C ATOM 1162 OE1 GLN A 75 19.464 16.563 -7.566 1.00 2.19 O ATOM 1163 NE2 GLN A 75 20.966 14.982 -7.663 1.00 1.15 N ATOM 0 H GLN A 75 20.486 15.385 -3.616 1.00 0.99 H new ATOM 0 HA GLN A 75 17.751 16.331 -3.101 1.00 0.99 H new ATOM 0 HB2 GLN A 75 17.536 16.068 -5.554 1.00 1.15 H new ATOM 0 HB3 GLN A 75 18.987 16.968 -5.159 1.00 1.15 H new ATOM 0 HG2 GLN A 75 20.168 14.597 -5.162 1.00 1.14 H new ATOM 0 HG3 GLN A 75 18.754 14.073 -6.056 1.00 1.14 H new ATOM 0 HE21 GLN A 75 21.369 14.135 -7.262 1.00 1.15 H new ATOM 0 HE22 GLN A 75 21.362 15.382 -8.514 1.00 1.15 H new ATOM 1172 N GLN A 76 18.396 13.176 -3.855 1.00 0.73 N ATOM 1173 CA GLN A 76 17.794 11.815 -3.789 1.00 0.66 C ATOM 1174 C GLN A 76 17.547 11.436 -2.327 1.00 0.46 C ATOM 1175 O GLN A 76 16.660 10.664 -2.017 1.00 0.40 O ATOM 1176 CB GLN A 76 18.750 10.802 -4.423 1.00 0.78 C ATOM 1177 CG GLN A 76 18.009 9.488 -4.674 1.00 0.61 C ATOM 1178 CD GLN A 76 18.939 8.506 -5.390 1.00 1.03 C ATOM 1179 OE1 GLN A 76 20.135 8.711 -5.443 1.00 2.08 O ATOM 1180 NE2 GLN A 76 18.435 7.440 -5.950 1.00 0.75 N ATOM 0 H GLN A 76 19.367 13.207 -4.167 1.00 0.73 H new ATOM 0 HA GLN A 76 16.848 11.811 -4.331 1.00 0.66 H new ATOM 0 HB2 GLN A 76 19.143 11.195 -5.361 1.00 0.78 H new ATOM 0 HB3 GLN A 76 19.603 10.631 -3.766 1.00 0.78 H new ATOM 0 HG2 GLN A 76 17.671 9.062 -3.729 1.00 0.61 H new ATOM 0 HG3 GLN A 76 17.120 9.669 -5.278 1.00 0.61 H new ATOM 0 HE21 GLN A 76 17.431 7.267 -5.906 1.00 0.75 H new ATOM 0 HE22 GLN A 76 19.045 6.780 -6.432 1.00 0.75 H new ATOM 1189 N PHE A 77 18.322 11.974 -1.427 1.00 0.38 N ATOM 1190 CA PHE A 77 18.130 11.644 0.014 1.00 0.26 C ATOM 1191 C PHE A 77 16.762 12.152 0.475 1.00 0.31 C ATOM 1192 O PHE A 77 15.978 11.419 1.046 1.00 0.28 O ATOM 1193 CB PHE A 77 19.228 12.316 0.841 1.00 0.30 C ATOM 1194 CG PHE A 77 19.020 12.002 2.303 1.00 0.38 C ATOM 1195 CD1 PHE A 77 19.478 10.789 2.832 1.00 0.45 C ATOM 1196 CD2 PHE A 77 18.368 12.924 3.131 1.00 0.47 C ATOM 1197 CE1 PHE A 77 19.285 10.499 4.187 1.00 0.59 C ATOM 1198 CE2 PHE A 77 18.175 12.634 4.487 1.00 0.61 C ATOM 1199 CZ PHE A 77 18.633 11.421 5.015 1.00 0.66 C ATOM 0 H PHE A 77 19.080 12.627 -1.626 1.00 0.38 H new ATOM 0 HA PHE A 77 18.182 10.564 0.150 1.00 0.26 H new ATOM 0 HB2 PHE A 77 20.208 11.964 0.518 1.00 0.30 H new ATOM 0 HB3 PHE A 77 19.209 13.394 0.683 1.00 0.30 H new ATOM 0 HD1 PHE A 77 19.980 10.077 2.194 1.00 0.45 H new ATOM 0 HD2 PHE A 77 18.014 13.859 2.723 1.00 0.47 H new ATOM 0 HE1 PHE A 77 19.639 9.564 4.595 1.00 0.59 H new ATOM 0 HE2 PHE A 77 17.673 13.346 5.125 1.00 0.61 H new ATOM 0 HZ PHE A 77 18.483 11.196 6.061 1.00 0.66 H new ATOM 1209 N HIS A 78 16.469 13.400 0.233 1.00 0.50 N ATOM 1210 CA HIS A 78 15.152 13.953 0.658 1.00 0.61 C ATOM 1211 C HIS A 78 14.041 13.330 -0.190 1.00 0.57 C ATOM 1212 O HIS A 78 13.059 12.834 0.325 1.00 0.52 O ATOM 1213 CB HIS A 78 15.150 15.470 0.468 1.00 0.83 C ATOM 1214 CG HIS A 78 14.256 16.105 1.497 1.00 1.31 C ATOM 1215 ND1 HIS A 78 14.716 17.068 2.383 1.00 2.40 N ATOM 1216 CD2 HIS A 78 12.929 15.925 1.795 1.00 0.89 C ATOM 1217 CE1 HIS A 78 13.681 17.427 3.163 1.00 2.57 C ATOM 1218 NE2 HIS A 78 12.568 16.761 2.847 1.00 1.66 N ATOM 0 H HIS A 78 17.085 14.061 -0.241 1.00 0.50 H new ATOM 0 HA HIS A 78 14.981 13.720 1.709 1.00 0.61 H new ATOM 0 HB2 HIS A 78 16.164 15.860 0.562 1.00 0.83 H new ATOM 0 HB3 HIS A 78 14.803 15.721 -0.534 1.00 0.83 H new ATOM 0 HD2 HIS A 78 12.265 15.239 1.290 1.00 0.89 H new ATOM 0 HE1 HIS A 78 13.743 18.165 3.950 1.00 2.57 H new ATOM 0 HE2 HIS A 78 11.650 16.847 3.283 1.00 1.66 H new ATOM 1226 N ARG A 79 14.188 13.354 -1.487 1.00 0.63 N ATOM 1227 CA ARG A 79 13.140 12.764 -2.366 1.00 0.66 C ATOM 1228 C ARG A 79 12.767 11.371 -1.851 1.00 0.53 C ATOM 1229 O ARG A 79 11.649 10.923 -2.005 1.00 0.59 O ATOM 1230 CB ARG A 79 13.675 12.654 -3.795 1.00 0.76 C ATOM 1231 CG ARG A 79 12.507 12.712 -4.783 1.00 0.67 C ATOM 1232 CD ARG A 79 12.966 12.189 -6.146 1.00 0.59 C ATOM 1233 NE ARG A 79 12.106 12.769 -7.215 1.00 0.76 N ATOM 1234 CZ ARG A 79 12.486 12.708 -8.462 1.00 0.68 C ATOM 1235 NH1 ARG A 79 13.618 12.138 -8.773 1.00 0.50 N ATOM 1236 NH2 ARG A 79 11.733 13.217 -9.399 1.00 1.35 N ATOM 0 H ARG A 79 14.988 13.757 -1.975 1.00 0.63 H new ATOM 0 HA ARG A 79 12.257 13.403 -2.358 1.00 0.66 H new ATOM 0 HB2 ARG A 79 14.376 13.464 -3.996 1.00 0.76 H new ATOM 0 HB3 ARG A 79 14.224 11.720 -3.918 1.00 0.76 H new ATOM 0 HG2 ARG A 79 11.674 12.114 -4.414 1.00 0.67 H new ATOM 0 HG3 ARG A 79 12.147 13.736 -4.877 1.00 0.67 H new ATOM 0 HD2 ARG A 79 14.009 12.456 -6.318 1.00 0.59 H new ATOM 0 HD3 ARG A 79 12.908 11.101 -6.168 1.00 0.59 H new ATOM 0 HE ARG A 79 11.221 13.214 -6.973 1.00 0.76 H new ATOM 0 HH11 ARG A 79 14.206 11.740 -8.041 1.00 0.50 H new ATOM 0 HH12 ARG A 79 13.914 12.091 -9.748 1.00 0.50 H new ATOM 0 HH21 ARG A 79 10.848 13.662 -9.156 1.00 1.35 H new ATOM 0 HH22 ARG A 79 12.030 13.170 -10.374 1.00 1.35 H new ATOM 1250 N HIS A 80 13.695 10.686 -1.243 1.00 0.36 N ATOM 1251 CA HIS A 80 13.392 9.323 -0.721 1.00 0.27 C ATOM 1252 C HIS A 80 12.555 9.441 0.555 1.00 0.18 C ATOM 1253 O HIS A 80 11.483 8.879 0.660 1.00 0.24 O ATOM 1254 CB HIS A 80 14.700 8.594 -0.407 1.00 0.22 C ATOM 1255 CG HIS A 80 14.412 7.398 0.458 1.00 0.23 C ATOM 1256 ND1 HIS A 80 14.076 6.164 -0.076 1.00 0.31 N ATOM 1257 CD2 HIS A 80 14.406 7.231 1.821 1.00 0.19 C ATOM 1258 CE1 HIS A 80 13.882 5.316 0.952 1.00 0.33 C ATOM 1259 NE2 HIS A 80 14.071 5.916 2.130 1.00 0.26 N ATOM 0 H HIS A 80 14.649 11.010 -1.085 1.00 0.36 H new ATOM 0 HA HIS A 80 12.835 8.762 -1.471 1.00 0.27 H new ATOM 0 HB2 HIS A 80 15.184 8.279 -1.331 1.00 0.22 H new ATOM 0 HB3 HIS A 80 15.391 9.267 0.102 1.00 0.22 H new ATOM 0 HD2 HIS A 80 14.628 8.003 2.543 1.00 0.19 H new ATOM 0 HE1 HIS A 80 13.607 4.278 0.838 1.00 0.33 H new ATOM 0 HE2 HIS A 80 13.988 5.500 3.057 1.00 0.26 H new ATOM 1267 N LYS A 81 13.038 10.167 1.527 1.00 0.23 N ATOM 1268 CA LYS A 81 12.270 10.320 2.794 1.00 0.31 C ATOM 1269 C LYS A 81 10.819 10.686 2.470 1.00 0.31 C ATOM 1270 O LYS A 81 9.894 10.198 3.089 1.00 0.31 O ATOM 1271 CB LYS A 81 12.899 11.427 3.641 1.00 0.49 C ATOM 1272 CG LYS A 81 14.187 10.908 4.284 1.00 0.60 C ATOM 1273 CD LYS A 81 14.956 12.075 4.906 1.00 1.01 C ATOM 1274 CE LYS A 81 14.105 12.726 5.998 1.00 1.53 C ATOM 1275 NZ LYS A 81 14.989 13.479 6.934 1.00 2.08 N ATOM 0 H LYS A 81 13.930 10.660 1.498 1.00 0.23 H new ATOM 0 HA LYS A 81 12.293 9.382 3.348 1.00 0.31 H new ATOM 0 HB2 LYS A 81 13.115 12.297 3.020 1.00 0.49 H new ATOM 0 HB3 LYS A 81 12.200 11.751 4.412 1.00 0.49 H new ATOM 0 HG2 LYS A 81 13.951 10.167 5.047 1.00 0.60 H new ATOM 0 HG3 LYS A 81 14.804 10.410 3.536 1.00 0.60 H new ATOM 0 HD2 LYS A 81 15.897 11.721 5.327 1.00 1.01 H new ATOM 0 HD3 LYS A 81 15.206 12.809 4.140 1.00 1.01 H new ATOM 0 HE2 LYS A 81 13.373 13.399 5.551 1.00 1.53 H new ATOM 0 HE3 LYS A 81 13.547 11.964 6.542 1.00 1.53 H new ATOM 0 HZ1 LYS A 81 14.411 13.922 7.677 1.00 2.08 H new ATOM 0 HZ2 LYS A 81 15.671 12.825 7.369 1.00 2.08 H new ATOM 0 HZ3 LYS A 81 15.503 14.216 6.409 1.00 2.08 H new ATOM 1289 N GLN A 82 10.614 11.539 1.505 1.00 0.34 N ATOM 1290 CA GLN A 82 9.224 11.934 1.143 1.00 0.40 C ATOM 1291 C GLN A 82 8.410 10.681 0.814 1.00 0.33 C ATOM 1292 O GLN A 82 7.354 10.449 1.370 1.00 0.49 O ATOM 1293 CB GLN A 82 9.256 12.856 -0.077 1.00 0.46 C ATOM 1294 CG GLN A 82 7.826 13.152 -0.531 1.00 0.35 C ATOM 1295 CD GLN A 82 7.826 14.367 -1.463 1.00 0.20 C ATOM 1296 OE1 GLN A 82 7.456 14.264 -2.615 1.00 1.08 O ATOM 1297 NE2 GLN A 82 8.231 15.521 -1.008 1.00 0.94 N ATOM 0 H GLN A 82 11.349 11.980 0.951 1.00 0.34 H new ATOM 0 HA GLN A 82 8.765 12.458 1.981 1.00 0.40 H new ATOM 0 HB2 GLN A 82 9.770 13.785 0.169 1.00 0.46 H new ATOM 0 HB3 GLN A 82 9.816 12.387 -0.886 1.00 0.46 H new ATOM 0 HG2 GLN A 82 7.410 12.286 -1.046 1.00 0.35 H new ATOM 0 HG3 GLN A 82 7.191 13.344 0.334 1.00 0.35 H new ATOM 0 HE21 GLN A 82 8.542 15.607 -0.040 1.00 0.94 H new ATOM 0 HE22 GLN A 82 8.237 16.337 -1.620 1.00 0.94 H new ATOM 1306 N LEU A 83 8.893 9.869 -0.085 1.00 0.26 N ATOM 1307 CA LEU A 83 8.147 8.630 -0.448 1.00 0.34 C ATOM 1308 C LEU A 83 7.744 7.894 0.831 1.00 0.28 C ATOM 1309 O LEU A 83 6.582 7.638 1.072 1.00 0.30 O ATOM 1310 CB LEU A 83 9.045 7.727 -1.299 1.00 0.41 C ATOM 1311 CG LEU A 83 8.181 6.822 -2.180 1.00 0.56 C ATOM 1312 CD1 LEU A 83 9.084 5.942 -3.047 1.00 0.67 C ATOM 1313 CD2 LEU A 83 7.303 5.932 -1.297 1.00 0.56 C ATOM 0 H LEU A 83 9.771 10.009 -0.584 1.00 0.26 H new ATOM 0 HA LEU A 83 7.254 8.890 -1.016 1.00 0.34 H new ATOM 0 HB2 LEU A 83 9.703 8.334 -1.920 1.00 0.41 H new ATOM 0 HB3 LEU A 83 9.683 7.122 -0.655 1.00 0.41 H new ATOM 0 HG LEU A 83 7.548 7.438 -2.819 1.00 0.56 H new ATOM 0 HD11 LEU A 83 8.469 5.297 -3.675 1.00 0.67 H new ATOM 0 HD12 LEU A 83 9.710 6.573 -3.678 1.00 0.67 H new ATOM 0 HD13 LEU A 83 9.717 5.328 -2.407 1.00 0.67 H new ATOM 0 HD21 LEU A 83 6.688 5.288 -1.926 1.00 0.56 H new ATOM 0 HD22 LEU A 83 7.936 5.317 -0.657 1.00 0.56 H new ATOM 0 HD23 LEU A 83 6.659 6.556 -0.678 1.00 0.56 H new ATOM 1325 N ILE A 84 8.698 7.554 1.654 1.00 0.22 N ATOM 1326 CA ILE A 84 8.373 6.835 2.919 1.00 0.21 C ATOM 1327 C ILE A 84 7.207 7.537 3.618 1.00 0.13 C ATOM 1328 O ILE A 84 6.310 6.904 4.137 1.00 0.14 O ATOM 1329 CB ILE A 84 9.596 6.844 3.839 1.00 0.23 C ATOM 1330 CG1 ILE A 84 10.847 6.470 3.036 1.00 0.30 C ATOM 1331 CG2 ILE A 84 9.397 5.832 4.970 1.00 0.29 C ATOM 1332 CD1 ILE A 84 10.578 5.205 2.218 1.00 0.37 C ATOM 0 H ILE A 84 9.689 7.743 1.505 1.00 0.22 H new ATOM 0 HA ILE A 84 8.096 5.806 2.691 1.00 0.21 H new ATOM 0 HB ILE A 84 9.720 7.841 4.262 1.00 0.23 H new ATOM 0 HG12 ILE A 84 11.124 7.290 2.374 1.00 0.30 H new ATOM 0 HG13 ILE A 84 11.688 6.306 3.710 1.00 0.30 H new ATOM 0 HG21 ILE A 84 10.269 5.841 5.624 1.00 0.29 H new ATOM 0 HG22 ILE A 84 8.510 6.099 5.545 1.00 0.29 H new ATOM 0 HG23 ILE A 84 9.270 4.835 4.548 1.00 0.29 H new ATOM 0 HD11 ILE A 84 11.470 4.943 1.649 1.00 0.37 H new ATOM 0 HD12 ILE A 84 10.322 4.385 2.889 1.00 0.37 H new ATOM 0 HD13 ILE A 84 9.750 5.384 1.532 1.00 0.37 H new ATOM 1344 N ARG A 85 7.212 8.842 3.637 1.00 0.12 N ATOM 1345 CA ARG A 85 6.104 9.581 4.305 1.00 0.16 C ATOM 1346 C ARG A 85 4.763 9.116 3.734 1.00 0.20 C ATOM 1347 O ARG A 85 3.847 8.787 4.463 1.00 0.28 O ATOM 1348 CB ARG A 85 6.270 11.082 4.055 1.00 0.14 C ATOM 1349 CG ARG A 85 6.208 11.832 5.388 1.00 0.29 C ATOM 1350 CD ARG A 85 6.294 13.337 5.132 1.00 0.86 C ATOM 1351 NE ARG A 85 5.013 13.983 5.534 1.00 1.85 N ATOM 1352 CZ ARG A 85 4.955 15.278 5.687 1.00 2.47 C ATOM 1353 NH1 ARG A 85 6.019 16.007 5.488 1.00 2.35 N ATOM 1354 NH2 ARG A 85 3.833 15.843 6.038 1.00 3.51 N ATOM 0 H ARG A 85 7.935 9.428 3.219 1.00 0.12 H new ATOM 0 HA ARG A 85 6.131 9.384 5.377 1.00 0.16 H new ATOM 0 HB2 ARG A 85 7.222 11.276 3.560 1.00 0.14 H new ATOM 0 HB3 ARG A 85 5.486 11.439 3.388 1.00 0.14 H new ATOM 0 HG2 ARG A 85 5.281 11.594 5.909 1.00 0.29 H new ATOM 0 HG3 ARG A 85 7.027 11.515 6.034 1.00 0.29 H new ATOM 0 HD2 ARG A 85 7.123 13.766 5.696 1.00 0.86 H new ATOM 0 HD3 ARG A 85 6.494 13.527 4.077 1.00 0.86 H new ATOM 0 HE ARG A 85 4.181 13.413 5.690 1.00 1.85 H new ATOM 0 HH11 ARG A 85 6.896 15.565 5.213 1.00 2.35 H new ATOM 0 HH12 ARG A 85 5.974 17.019 5.608 1.00 2.35 H new ATOM 0 HH21 ARG A 85 3.001 15.273 6.193 1.00 3.51 H new ATOM 0 HH22 ARG A 85 3.787 16.855 6.158 1.00 3.51 H new ATOM 1368 N PHE A 86 4.639 9.085 2.435 1.00 0.20 N ATOM 1369 CA PHE A 86 3.357 8.641 1.820 1.00 0.28 C ATOM 1370 C PHE A 86 3.030 7.220 2.283 1.00 0.22 C ATOM 1371 O PHE A 86 1.928 6.933 2.709 1.00 0.28 O ATOM 1372 CB PHE A 86 3.487 8.662 0.296 1.00 0.36 C ATOM 1373 CG PHE A 86 3.326 10.077 -0.205 1.00 0.45 C ATOM 1374 CD1 PHE A 86 4.435 10.929 -0.267 1.00 0.67 C ATOM 1375 CD2 PHE A 86 2.067 10.538 -0.606 1.00 0.41 C ATOM 1376 CE1 PHE A 86 4.285 12.241 -0.732 1.00 0.82 C ATOM 1377 CE2 PHE A 86 1.917 11.850 -1.071 1.00 0.55 C ATOM 1378 CZ PHE A 86 3.026 12.702 -1.133 1.00 0.74 C ATOM 0 H PHE A 86 5.370 9.348 1.774 1.00 0.20 H new ATOM 0 HA PHE A 86 2.557 9.315 2.127 1.00 0.28 H new ATOM 0 HB2 PHE A 86 4.459 8.268 -0.002 1.00 0.36 H new ATOM 0 HB3 PHE A 86 2.731 8.018 -0.153 1.00 0.36 H new ATOM 0 HD1 PHE A 86 5.406 10.574 0.044 1.00 0.67 H new ATOM 0 HD2 PHE A 86 1.211 9.881 -0.557 1.00 0.41 H new ATOM 0 HE1 PHE A 86 5.141 12.898 -0.781 1.00 0.82 H new ATOM 0 HE2 PHE A 86 0.946 12.205 -1.382 1.00 0.55 H new ATOM 0 HZ PHE A 86 2.910 13.715 -1.490 1.00 0.74 H new ATOM 1388 N LEU A 87 3.979 6.327 2.204 1.00 0.16 N ATOM 1389 CA LEU A 87 3.720 4.925 2.641 1.00 0.18 C ATOM 1390 C LEU A 87 3.288 4.919 4.109 1.00 0.22 C ATOM 1391 O LEU A 87 2.373 4.219 4.492 1.00 0.38 O ATOM 1392 CB LEU A 87 4.995 4.094 2.482 1.00 0.23 C ATOM 1393 CG LEU A 87 5.594 4.337 1.095 1.00 0.66 C ATOM 1394 CD1 LEU A 87 6.795 3.413 0.888 1.00 0.56 C ATOM 1395 CD2 LEU A 87 4.538 4.044 0.026 1.00 1.04 C ATOM 0 H LEU A 87 4.921 6.507 1.856 1.00 0.16 H new ATOM 0 HA LEU A 87 2.929 4.496 2.027 1.00 0.18 H new ATOM 0 HB2 LEU A 87 5.716 4.364 3.253 1.00 0.23 H new ATOM 0 HB3 LEU A 87 4.770 3.035 2.612 1.00 0.23 H new ATOM 0 HG LEU A 87 5.916 5.375 1.016 1.00 0.66 H new ATOM 0 HD11 LEU A 87 7.221 3.586 -0.100 1.00 0.56 H new ATOM 0 HD12 LEU A 87 7.548 3.619 1.649 1.00 0.56 H new ATOM 0 HD13 LEU A 87 6.473 2.375 0.967 1.00 0.56 H new ATOM 0 HD21 LEU A 87 4.963 4.217 -0.963 1.00 1.04 H new ATOM 0 HD22 LEU A 87 4.217 3.005 0.107 1.00 1.04 H new ATOM 0 HD23 LEU A 87 3.681 4.701 0.172 1.00 1.04 H new ATOM 1407 N LYS A 88 3.939 5.694 4.933 1.00 0.16 N ATOM 1408 CA LYS A 88 3.564 5.729 6.374 1.00 0.19 C ATOM 1409 C LYS A 88 2.175 6.355 6.527 1.00 0.23 C ATOM 1410 O LYS A 88 1.530 6.215 7.547 1.00 0.28 O ATOM 1411 CB LYS A 88 4.587 6.566 7.146 1.00 0.21 C ATOM 1412 CG LYS A 88 5.864 5.749 7.353 1.00 0.78 C ATOM 1413 CD LYS A 88 7.013 6.684 7.733 1.00 1.35 C ATOM 1414 CE LYS A 88 7.893 6.011 8.788 1.00 1.36 C ATOM 1415 NZ LYS A 88 9.034 6.907 9.128 1.00 2.29 N ATOM 0 H LYS A 88 4.713 6.304 4.670 1.00 0.16 H new ATOM 0 HA LYS A 88 3.550 4.713 6.770 1.00 0.19 H new ATOM 0 HB2 LYS A 88 4.813 7.480 6.597 1.00 0.21 H new ATOM 0 HB3 LYS A 88 4.174 6.866 8.109 1.00 0.21 H new ATOM 0 HG2 LYS A 88 5.711 5.007 8.137 1.00 0.78 H new ATOM 0 HG3 LYS A 88 6.111 5.204 6.442 1.00 0.78 H new ATOM 0 HD2 LYS A 88 7.606 6.926 6.851 1.00 1.35 H new ATOM 0 HD3 LYS A 88 6.618 7.624 8.119 1.00 1.35 H new ATOM 0 HE2 LYS A 88 7.307 5.795 9.682 1.00 1.36 H new ATOM 0 HE3 LYS A 88 8.265 5.058 8.413 1.00 1.36 H new ATOM 0 HZ1 LYS A 88 9.633 6.450 9.845 1.00 2.29 H new ATOM 0 HZ2 LYS A 88 9.597 7.091 8.273 1.00 2.29 H new ATOM 0 HZ3 LYS A 88 8.670 7.806 9.503 1.00 2.29 H new ATOM 1429 N ARG A 89 1.711 7.045 5.521 1.00 0.22 N ATOM 1430 CA ARG A 89 0.365 7.679 5.612 1.00 0.28 C ATOM 1431 C ARG A 89 -0.707 6.664 5.210 1.00 0.27 C ATOM 1432 O ARG A 89 -1.451 6.172 6.037 1.00 0.30 O ATOM 1433 CB ARG A 89 0.305 8.884 4.671 1.00 0.31 C ATOM 1434 CG ARG A 89 -1.090 9.508 4.728 1.00 0.26 C ATOM 1435 CD ARG A 89 -0.969 11.033 4.729 1.00 0.72 C ATOM 1436 NE ARG A 89 -0.559 11.498 6.084 1.00 1.76 N ATOM 1437 CZ ARG A 89 -0.107 12.711 6.250 1.00 2.27 C ATOM 1438 NH1 ARG A 89 -0.015 13.518 5.229 1.00 1.90 N ATOM 1439 NH2 ARG A 89 0.252 13.117 7.437 1.00 3.25 N ATOM 0 H ARG A 89 2.205 7.197 4.641 1.00 0.22 H new ATOM 0 HA ARG A 89 0.187 8.007 6.636 1.00 0.28 H new ATOM 0 HB2 ARG A 89 1.056 9.620 4.958 1.00 0.31 H new ATOM 0 HB3 ARG A 89 0.535 8.574 3.652 1.00 0.31 H new ATOM 0 HG2 ARG A 89 -1.681 9.180 3.873 1.00 0.26 H new ATOM 0 HG3 ARG A 89 -1.613 9.174 5.624 1.00 0.26 H new ATOM 0 HD2 ARG A 89 -0.237 11.351 3.987 1.00 0.72 H new ATOM 0 HD3 ARG A 89 -1.921 11.484 4.451 1.00 0.72 H new ATOM 0 HE ARG A 89 -0.632 10.868 6.883 1.00 1.76 H new ATOM 0 HH11 ARG A 89 -0.296 13.201 4.301 1.00 1.90 H new ATOM 0 HH12 ARG A 89 0.338 14.466 5.359 1.00 1.90 H new ATOM 0 HH21 ARG A 89 0.179 12.486 8.235 1.00 3.25 H new ATOM 0 HH22 ARG A 89 0.605 14.065 7.567 1.00 3.25 H new ATOM 1453 N LEU A 90 -0.796 6.347 3.947 1.00 0.24 N ATOM 1454 CA LEU A 90 -1.822 5.367 3.496 1.00 0.24 C ATOM 1455 C LEU A 90 -1.723 4.095 4.341 1.00 0.23 C ATOM 1456 O LEU A 90 -2.714 3.462 4.646 1.00 0.41 O ATOM 1457 CB LEU A 90 -1.591 5.023 2.022 1.00 0.24 C ATOM 1458 CG LEU A 90 -0.189 4.439 1.843 1.00 0.24 C ATOM 1459 CD1 LEU A 90 -0.285 2.922 1.668 1.00 0.23 C ATOM 1460 CD2 LEU A 90 0.463 5.053 0.602 1.00 0.25 C ATOM 0 H LEU A 90 -0.202 6.725 3.209 1.00 0.24 H new ATOM 0 HA LEU A 90 -2.814 5.803 3.614 1.00 0.24 H new ATOM 0 HB2 LEU A 90 -2.340 4.307 1.684 1.00 0.24 H new ATOM 0 HB3 LEU A 90 -1.705 5.916 1.408 1.00 0.24 H new ATOM 0 HG LEU A 90 0.413 4.666 2.723 1.00 0.24 H new ATOM 0 HD11 LEU A 90 0.715 2.506 1.540 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -0.751 2.483 2.550 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -0.887 2.695 0.788 1.00 0.23 H new ATOM 0 HD21 LEU A 90 1.463 4.638 0.473 1.00 0.25 H new ATOM 0 HD22 LEU A 90 -0.141 4.825 -0.277 1.00 0.25 H new ATOM 0 HD23 LEU A 90 0.532 6.134 0.724 1.00 0.25 H new ATOM 1472 N ASP A 91 -0.535 3.716 4.724 1.00 0.12 N ATOM 1473 CA ASP A 91 -0.376 2.484 5.550 1.00 0.11 C ATOM 1474 C ASP A 91 -1.354 2.529 6.725 1.00 0.11 C ATOM 1475 O ASP A 91 -1.973 1.542 7.069 1.00 0.06 O ATOM 1476 CB ASP A 91 1.056 2.406 6.081 1.00 0.14 C ATOM 1477 CG ASP A 91 1.121 1.391 7.224 1.00 0.11 C ATOM 1478 OD1 ASP A 91 0.674 0.274 7.025 1.00 1.01 O ATOM 1479 OD2 ASP A 91 1.618 1.748 8.280 1.00 1.11 O ATOM 0 H ASP A 91 0.332 4.205 4.502 1.00 0.12 H new ATOM 0 HA ASP A 91 -0.584 1.607 4.937 1.00 0.11 H new ATOM 0 HB2 ASP A 91 1.736 2.113 5.281 1.00 0.14 H new ATOM 0 HB3 ASP A 91 1.379 3.386 6.432 1.00 0.14 H new ATOM 1484 N ARG A 92 -1.499 3.668 7.345 1.00 0.19 N ATOM 1485 CA ARG A 92 -2.437 3.775 8.498 1.00 0.21 C ATOM 1486 C ARG A 92 -3.873 3.878 7.981 1.00 0.21 C ATOM 1487 O ARG A 92 -4.806 3.437 8.621 1.00 0.23 O ATOM 1488 CB ARG A 92 -2.099 5.023 9.318 1.00 0.21 C ATOM 1489 CG ARG A 92 -0.906 4.727 10.229 1.00 0.33 C ATOM 1490 CD ARG A 92 -1.411 4.228 11.584 1.00 0.76 C ATOM 1491 NE ARG A 92 -2.240 5.287 12.226 1.00 1.82 N ATOM 1492 CZ ARG A 92 -3.013 4.988 13.234 1.00 2.59 C ATOM 1493 NH1 ARG A 92 -3.061 3.762 13.680 1.00 2.45 N ATOM 1494 NH2 ARG A 92 -3.739 5.916 13.797 1.00 3.72 N ATOM 0 H ARG A 92 -1.009 4.529 7.103 1.00 0.19 H new ATOM 0 HA ARG A 92 -2.340 2.890 9.127 1.00 0.21 H new ATOM 0 HB2 ARG A 92 -1.865 5.855 8.654 1.00 0.21 H new ATOM 0 HB3 ARG A 92 -2.960 5.323 9.915 1.00 0.21 H new ATOM 0 HG2 ARG A 92 -0.262 3.977 9.770 1.00 0.33 H new ATOM 0 HG3 ARG A 92 -0.304 5.626 10.362 1.00 0.33 H new ATOM 0 HD2 ARG A 92 -2.000 3.320 11.453 1.00 0.76 H new ATOM 0 HD3 ARG A 92 -0.568 3.972 12.226 1.00 0.76 H new ATOM 0 HE ARG A 92 -2.203 6.245 11.878 1.00 1.82 H new ATOM 0 HH11 ARG A 92 -2.494 3.037 13.241 1.00 2.45 H new ATOM 0 HH12 ARG A 92 -3.665 3.529 14.468 1.00 2.45 H new ATOM 0 HH21 ARG A 92 -3.702 6.874 13.449 1.00 3.72 H new ATOM 0 HH22 ARG A 92 -4.343 5.683 14.585 1.00 3.72 H new ATOM 1508 N ASN A 93 -4.056 4.456 6.826 1.00 0.20 N ATOM 1509 CA ASN A 93 -5.433 4.587 6.269 1.00 0.21 C ATOM 1510 C ASN A 93 -6.006 3.196 5.993 1.00 0.21 C ATOM 1511 O ASN A 93 -7.080 2.856 6.448 1.00 0.29 O ATOM 1512 CB ASN A 93 -5.383 5.386 4.966 1.00 0.19 C ATOM 1513 CG ASN A 93 -4.662 6.714 5.208 1.00 0.26 C ATOM 1514 OD1 ASN A 93 -4.461 7.485 4.291 1.00 0.63 O ATOM 1515 ND2 ASN A 93 -4.262 7.015 6.414 1.00 1.25 N ATOM 0 H ASN A 93 -3.313 4.843 6.244 1.00 0.20 H new ATOM 0 HA ASN A 93 -6.068 5.105 6.988 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -4.865 4.814 4.196 1.00 0.19 H new ATOM 0 HB3 ASN A 93 -6.393 5.570 4.601 1.00 0.19 H new ATOM 0 HD21 ASN A 93 -3.781 7.898 6.586 1.00 1.25 H new ATOM 0 HD22 ASN A 93 -4.431 6.367 7.184 1.00 1.25 H new ATOM 1522 N LEU A 94 -5.298 2.388 5.252 1.00 0.18 N ATOM 1523 CA LEU A 94 -5.805 1.020 4.948 1.00 0.23 C ATOM 1524 C LEU A 94 -6.160 0.306 6.254 1.00 0.23 C ATOM 1525 O LEU A 94 -7.115 -0.442 6.325 1.00 0.68 O ATOM 1526 CB LEU A 94 -4.723 0.225 4.213 1.00 0.26 C ATOM 1527 CG LEU A 94 -4.276 0.994 2.968 1.00 0.34 C ATOM 1528 CD1 LEU A 94 -3.177 0.210 2.250 1.00 0.29 C ATOM 1529 CD2 LEU A 94 -5.466 1.181 2.022 1.00 0.43 C ATOM 0 H LEU A 94 -4.391 2.616 4.844 1.00 0.18 H new ATOM 0 HA LEU A 94 -6.692 1.094 4.319 1.00 0.23 H new ATOM 0 HB2 LEU A 94 -3.872 0.055 4.872 1.00 0.26 H new ATOM 0 HB3 LEU A 94 -5.107 -0.755 3.929 1.00 0.26 H new ATOM 0 HG LEU A 94 -3.893 1.970 3.267 1.00 0.34 H new ATOM 0 HD11 LEU A 94 -2.859 0.758 1.363 1.00 0.29 H new ATOM 0 HD12 LEU A 94 -2.327 0.079 2.920 1.00 0.29 H new ATOM 0 HD13 LEU A 94 -3.560 -0.767 1.955 1.00 0.29 H new ATOM 0 HD21 LEU A 94 -5.144 1.729 1.136 1.00 0.43 H new ATOM 0 HD22 LEU A 94 -5.851 0.206 1.725 1.00 0.43 H new ATOM 0 HD23 LEU A 94 -6.250 1.742 2.530 1.00 0.43 H new ATOM 1541 N TRP A 95 -5.399 0.532 7.290 1.00 0.34 N ATOM 1542 CA TRP A 95 -5.694 -0.136 8.589 1.00 0.33 C ATOM 1543 C TRP A 95 -6.826 0.611 9.300 1.00 0.34 C ATOM 1544 O TRP A 95 -7.409 0.119 10.245 1.00 0.39 O ATOM 1545 CB TRP A 95 -4.442 -0.118 9.468 1.00 0.43 C ATOM 1546 CG TRP A 95 -4.786 -0.616 10.835 1.00 0.51 C ATOM 1547 CD1 TRP A 95 -5.083 0.168 11.895 1.00 0.54 C ATOM 1548 CD2 TRP A 95 -4.873 -1.992 11.307 1.00 0.59 C ATOM 1549 NE1 TRP A 95 -5.347 -0.637 12.988 1.00 0.63 N ATOM 1550 CE2 TRP A 95 -5.231 -1.977 12.675 1.00 0.66 C ATOM 1551 CE3 TRP A 95 -4.678 -3.240 10.685 1.00 0.61 C ATOM 1552 CZ2 TRP A 95 -5.390 -3.158 13.403 1.00 0.75 C ATOM 1553 CZ3 TRP A 95 -4.836 -4.429 11.415 1.00 0.71 C ATOM 1554 CH2 TRP A 95 -5.192 -4.388 12.770 1.00 0.78 C ATOM 0 H TRP A 95 -4.587 1.149 7.293 1.00 0.34 H new ATOM 0 HA TRP A 95 -5.996 -1.168 8.407 1.00 0.33 H new ATOM 0 HB2 TRP A 95 -3.666 -0.743 9.026 1.00 0.43 H new ATOM 0 HB3 TRP A 95 -4.041 0.894 9.528 1.00 0.43 H new ATOM 0 HD1 TRP A 95 -5.110 1.248 11.889 1.00 0.54 H new ATOM 0 HE1 TRP A 95 -5.597 -0.284 13.912 1.00 0.63 H new ATOM 0 HE3 TRP A 95 -4.405 -3.283 9.641 1.00 0.61 H new ATOM 0 HZ2 TRP A 95 -5.664 -3.121 14.447 1.00 0.75 H new ATOM 0 HZ3 TRP A 95 -4.682 -5.381 10.929 1.00 0.71 H new ATOM 0 HH2 TRP A 95 -5.313 -5.307 13.325 1.00 0.78 H new ATOM 1565 N GLY A 96 -7.141 1.795 8.852 1.00 0.34 N ATOM 1566 CA GLY A 96 -8.234 2.572 9.502 1.00 0.38 C ATOM 1567 C GLY A 96 -9.583 1.924 9.183 1.00 0.32 C ATOM 1568 O GLY A 96 -10.252 1.400 10.051 1.00 0.32 O ATOM 0 H GLY A 96 -6.689 2.258 8.064 1.00 0.34 H new ATOM 0 HA2 GLY A 96 -8.080 2.603 10.581 1.00 0.38 H new ATOM 0 HA3 GLY A 96 -8.221 3.603 9.148 1.00 0.38 H new ATOM 1572 N LEU A 97 -9.986 1.954 7.942 1.00 0.29 N ATOM 1573 CA LEU A 97 -11.292 1.340 7.568 1.00 0.29 C ATOM 1574 C LEU A 97 -11.281 -0.149 7.921 1.00 0.18 C ATOM 1575 O LEU A 97 -12.253 -0.850 7.724 1.00 0.24 O ATOM 1576 CB LEU A 97 -11.543 1.518 6.063 1.00 0.33 C ATOM 1577 CG LEU A 97 -10.305 1.094 5.251 1.00 0.20 C ATOM 1578 CD1 LEU A 97 -10.105 -0.425 5.314 1.00 0.28 C ATOM 1579 CD2 LEU A 97 -10.498 1.514 3.792 1.00 0.30 C ATOM 0 H LEU A 97 -9.468 2.377 7.172 1.00 0.29 H new ATOM 0 HA LEU A 97 -12.091 1.834 8.121 1.00 0.29 H new ATOM 0 HB2 LEU A 97 -12.404 0.923 5.760 1.00 0.33 H new ATOM 0 HB3 LEU A 97 -11.785 2.559 5.850 1.00 0.33 H new ATOM 0 HG LEU A 97 -9.425 1.579 5.674 1.00 0.20 H new ATOM 0 HD11 LEU A 97 -9.225 -0.700 4.733 1.00 0.28 H new ATOM 0 HD12 LEU A 97 -9.966 -0.731 6.351 1.00 0.28 H new ATOM 0 HD13 LEU A 97 -10.982 -0.925 4.903 1.00 0.28 H new ATOM 0 HD21 LEU A 97 -9.626 1.218 3.210 1.00 0.30 H new ATOM 0 HD22 LEU A 97 -11.386 1.028 3.388 1.00 0.30 H new ATOM 0 HD23 LEU A 97 -10.620 2.596 3.738 1.00 0.30 H new ATOM 1591 N ALA A 98 -10.187 -0.638 8.438 1.00 0.11 N ATOM 1592 CA ALA A 98 -10.115 -2.081 8.800 1.00 0.11 C ATOM 1593 C ALA A 98 -10.841 -2.311 10.127 1.00 0.26 C ATOM 1594 O ALA A 98 -11.912 -2.884 10.168 1.00 0.33 O ATOM 1595 CB ALA A 98 -8.650 -2.500 8.942 1.00 0.38 C ATOM 0 H ALA A 98 -9.341 -0.100 8.625 1.00 0.11 H new ATOM 0 HA ALA A 98 -10.589 -2.675 8.018 1.00 0.11 H new ATOM 0 HB1 ALA A 98 -8.598 -3.556 9.207 1.00 0.38 H new ATOM 0 HB2 ALA A 98 -8.132 -2.337 7.997 1.00 0.38 H new ATOM 0 HB3 ALA A 98 -8.176 -1.906 9.723 1.00 0.38 H new ATOM 1601 N GLY A 99 -10.268 -1.869 11.212 1.00 0.41 N ATOM 1602 CA GLY A 99 -10.927 -2.062 12.535 1.00 0.61 C ATOM 1603 C GLY A 99 -10.686 -3.491 13.023 1.00 0.57 C ATOM 1604 O GLY A 99 -11.324 -3.958 13.946 1.00 0.66 O ATOM 0 H GLY A 99 -9.372 -1.382 11.240 1.00 0.41 H new ATOM 0 HA2 GLY A 99 -10.531 -1.348 13.258 1.00 0.61 H new ATOM 0 HA3 GLY A 99 -11.997 -1.871 12.451 1.00 0.61 H new ATOM 1608 N LEU A 100 -9.771 -4.192 12.410 1.00 0.55 N ATOM 1609 CA LEU A 100 -9.492 -5.591 12.840 1.00 0.51 C ATOM 1610 C LEU A 100 -8.431 -5.584 13.941 1.00 0.62 C ATOM 1611 O LEU A 100 -7.528 -4.770 13.941 1.00 0.96 O ATOM 1612 CB LEU A 100 -8.982 -6.400 11.645 1.00 0.41 C ATOM 1613 CG LEU A 100 -10.168 -7.008 10.893 1.00 0.52 C ATOM 1614 CD1 LEU A 100 -9.803 -7.178 9.418 1.00 0.67 C ATOM 1615 CD2 LEU A 100 -10.506 -8.375 11.494 1.00 0.62 C ATOM 0 H LEU A 100 -9.205 -3.856 11.631 1.00 0.55 H new ATOM 0 HA LEU A 100 -10.408 -6.043 13.221 1.00 0.51 H new ATOM 0 HB2 LEU A 100 -8.406 -5.759 10.978 1.00 0.41 H new ATOM 0 HB3 LEU A 100 -8.312 -7.189 11.986 1.00 0.41 H new ATOM 0 HG LEU A 100 -11.031 -6.348 10.981 1.00 0.52 H new ATOM 0 HD11 LEU A 100 -10.647 -7.611 8.882 1.00 0.67 H new ATOM 0 HD12 LEU A 100 -9.561 -6.206 8.989 1.00 0.67 H new ATOM 0 HD13 LEU A 100 -8.940 -7.838 9.330 1.00 0.67 H new ATOM 0 HD21 LEU A 100 -11.351 -8.809 10.959 1.00 0.62 H new ATOM 0 HD22 LEU A 100 -9.643 -9.035 11.406 1.00 0.62 H new ATOM 0 HD23 LEU A 100 -10.765 -8.256 12.546 1.00 0.62 H new ATOM 1627 N ASN A 101 -8.530 -6.484 14.881 1.00 0.38 N ATOM 1628 CA ASN A 101 -7.526 -6.529 15.981 1.00 0.45 C ATOM 1629 C ASN A 101 -6.407 -7.503 15.611 1.00 0.44 C ATOM 1630 O ASN A 101 -5.294 -7.108 15.325 1.00 0.61 O ATOM 1631 CB ASN A 101 -8.204 -6.996 17.270 1.00 0.41 C ATOM 1632 CG ASN A 101 -9.172 -5.917 17.759 1.00 1.53 C ATOM 1633 OD1 ASN A 101 -9.885 -6.116 18.723 1.00 2.20 O ATOM 1634 ND2 ASN A 101 -9.229 -4.775 17.129 1.00 2.08 N ATOM 0 H ASN A 101 -9.264 -7.191 14.934 1.00 0.38 H new ATOM 0 HA ASN A 101 -7.106 -5.534 16.131 1.00 0.45 H new ATOM 0 HB2 ASN A 101 -8.741 -7.928 17.094 1.00 0.41 H new ATOM 0 HB3 ASN A 101 -7.454 -7.200 18.034 1.00 0.41 H new ATOM 0 HD21 ASN A 101 -9.872 -4.049 17.446 1.00 2.08 H new ATOM 0 HD22 ASN A 101 -8.630 -4.608 16.320 1.00 2.08 H new ATOM 1641 N SER A 102 -6.692 -8.777 15.612 1.00 0.31 N ATOM 1642 CA SER A 102 -5.643 -9.776 15.260 1.00 0.45 C ATOM 1643 C SER A 102 -5.670 -10.033 13.752 1.00 0.39 C ATOM 1644 O SER A 102 -6.719 -10.084 13.139 1.00 0.39 O ATOM 1645 CB SER A 102 -5.914 -11.083 16.005 1.00 0.53 C ATOM 1646 OG SER A 102 -5.542 -10.932 17.369 1.00 1.72 O ATOM 0 H SER A 102 -7.605 -9.169 15.841 1.00 0.31 H new ATOM 0 HA SER A 102 -4.664 -9.392 15.546 1.00 0.45 H new ATOM 0 HB2 SER A 102 -6.969 -11.345 15.931 1.00 0.53 H new ATOM 0 HB3 SER A 102 -5.350 -11.898 15.550 1.00 0.53 H new ATOM 0 HG SER A 102 -5.716 -11.768 17.850 1.00 1.72 H new ATOM 1652 N CYS A 103 -4.525 -10.196 13.148 1.00 0.34 N ATOM 1653 CA CYS A 103 -4.486 -10.451 11.681 1.00 0.28 C ATOM 1654 C CYS A 103 -3.131 -11.062 11.298 1.00 0.19 C ATOM 1655 O CYS A 103 -2.343 -10.428 10.625 1.00 0.13 O ATOM 1656 CB CYS A 103 -4.667 -9.126 10.937 1.00 0.28 C ATOM 1657 SG CYS A 103 -5.100 -9.457 9.211 1.00 0.30 S ATOM 0 H CYS A 103 -3.615 -10.164 13.607 1.00 0.34 H new ATOM 0 HA CYS A 103 -5.285 -11.142 11.411 1.00 0.28 H new ATOM 0 HB2 CYS A 103 -5.449 -8.534 11.412 1.00 0.28 H new ATOM 0 HB3 CYS A 103 -3.749 -8.540 10.987 1.00 0.28 H new ATOM 1662 N PRO A 104 -2.893 -12.277 11.737 1.00 0.21 N ATOM 1663 CA PRO A 104 -1.627 -12.974 11.441 1.00 0.17 C ATOM 1664 C PRO A 104 -1.484 -13.197 9.933 1.00 0.15 C ATOM 1665 O PRO A 104 -2.456 -13.389 9.230 1.00 0.18 O ATOM 1666 CB PRO A 104 -1.732 -14.315 12.177 1.00 0.25 C ATOM 1667 CG PRO A 104 -3.108 -14.356 12.889 1.00 0.33 C ATOM 1668 CD PRO A 104 -3.847 -13.050 12.555 1.00 0.31 C ATOM 0 HA PRO A 104 -0.756 -12.401 11.759 1.00 0.17 H new ATOM 0 HB2 PRO A 104 -1.640 -15.144 11.476 1.00 0.25 H new ATOM 0 HB3 PRO A 104 -0.924 -14.418 12.901 1.00 0.25 H new ATOM 0 HG2 PRO A 104 -3.686 -15.218 12.555 1.00 0.33 H new ATOM 0 HG3 PRO A 104 -2.978 -14.457 13.967 1.00 0.33 H new ATOM 0 HD2 PRO A 104 -4.769 -13.246 12.008 1.00 0.31 H new ATOM 0 HD3 PRO A 104 -4.122 -12.508 13.460 1.00 0.31 H new ATOM 1676 N VAL A 105 -0.278 -13.175 9.434 1.00 0.14 N ATOM 1677 CA VAL A 105 -0.068 -13.387 7.973 1.00 0.17 C ATOM 1678 C VAL A 105 0.261 -14.859 7.714 1.00 0.20 C ATOM 1679 O VAL A 105 1.004 -15.477 8.450 1.00 0.21 O ATOM 1680 CB VAL A 105 1.094 -12.515 7.494 1.00 0.15 C ATOM 1681 CG1 VAL A 105 2.401 -13.027 8.100 1.00 0.10 C ATOM 1682 CG2 VAL A 105 1.182 -12.578 5.968 1.00 0.21 C ATOM 0 H VAL A 105 0.572 -13.019 9.976 1.00 0.14 H new ATOM 0 HA VAL A 105 -0.975 -13.116 7.432 1.00 0.17 H new ATOM 0 HB VAL A 105 0.928 -11.484 7.808 1.00 0.15 H new ATOM 0 HG11 VAL A 105 3.229 -12.405 7.758 1.00 0.10 H new ATOM 0 HG12 VAL A 105 2.339 -12.984 9.187 1.00 0.10 H new ATOM 0 HG13 VAL A 105 2.568 -14.058 7.787 1.00 0.10 H new ATOM 0 HG21 VAL A 105 2.010 -11.957 5.625 1.00 0.21 H new ATOM 0 HG22 VAL A 105 1.348 -13.609 5.655 1.00 0.21 H new ATOM 0 HG23 VAL A 105 0.251 -12.213 5.534 1.00 0.21 H new ATOM 1692 N LYS A 106 -0.288 -15.425 6.674 1.00 0.47 N ATOM 1693 CA LYS A 106 -0.006 -16.857 6.370 1.00 0.51 C ATOM 1694 C LYS A 106 1.176 -16.950 5.403 1.00 0.52 C ATOM 1695 O LYS A 106 2.213 -16.352 5.616 1.00 0.42 O ATOM 1696 CB LYS A 106 -1.240 -17.495 5.729 1.00 0.58 C ATOM 1697 CG LYS A 106 -1.122 -19.019 5.798 1.00 0.75 C ATOM 1698 CD LYS A 106 -1.859 -19.645 4.613 1.00 0.65 C ATOM 1699 CE LYS A 106 -3.331 -19.229 4.649 1.00 1.47 C ATOM 1700 NZ LYS A 106 -3.878 -19.462 6.016 1.00 1.99 N ATOM 0 H LYS A 106 -0.919 -14.959 6.022 1.00 0.47 H new ATOM 0 HA LYS A 106 0.237 -17.383 7.293 1.00 0.51 H new ATOM 0 HB2 LYS A 106 -2.142 -17.166 6.245 1.00 0.58 H new ATOM 0 HB3 LYS A 106 -1.331 -17.173 4.691 1.00 0.58 H new ATOM 0 HG2 LYS A 106 -0.073 -19.314 5.783 1.00 0.75 H new ATOM 0 HG3 LYS A 106 -1.543 -19.384 6.735 1.00 0.75 H new ATOM 0 HD2 LYS A 106 -1.402 -19.324 3.677 1.00 0.65 H new ATOM 0 HD3 LYS A 106 -1.776 -20.731 4.652 1.00 0.65 H new ATOM 0 HE2 LYS A 106 -3.430 -18.177 4.380 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -3.900 -19.800 3.915 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -4.905 -19.612 5.958 1.00 1.99 H new ATOM 0 HZ2 LYS A 106 -3.428 -20.303 6.431 1.00 1.99 H new ATOM 0 HZ3 LYS A 106 -3.682 -18.634 6.614 1.00 1.99 H new ATOM 1714 N GLU A 107 1.028 -17.695 4.341 1.00 0.69 N ATOM 1715 CA GLU A 107 2.143 -17.829 3.360 1.00 0.72 C ATOM 1716 C GLU A 107 1.946 -16.820 2.225 1.00 0.59 C ATOM 1717 O GLU A 107 1.102 -15.950 2.295 1.00 1.08 O ATOM 1718 CB GLU A 107 2.147 -19.246 2.784 1.00 0.95 C ATOM 1719 CG GLU A 107 2.840 -20.194 3.766 1.00 1.43 C ATOM 1720 CD GLU A 107 4.354 -19.991 3.689 1.00 0.29 C ATOM 1721 OE1 GLU A 107 4.851 -19.112 4.375 1.00 1.20 O ATOM 1722 OE2 GLU A 107 4.992 -20.718 2.945 1.00 1.17 O ATOM 0 H GLU A 107 0.183 -18.217 4.110 1.00 0.69 H new ATOM 0 HA GLU A 107 3.092 -17.636 3.860 1.00 0.72 H new ATOM 0 HB2 GLU A 107 1.125 -19.578 2.601 1.00 0.95 H new ATOM 0 HB3 GLU A 107 2.663 -19.258 1.824 1.00 0.95 H new ATOM 0 HG2 GLU A 107 2.488 -20.005 4.780 1.00 1.43 H new ATOM 0 HG3 GLU A 107 2.588 -21.228 3.529 1.00 1.43 H new ATOM 1729 N ALA A 108 2.720 -16.931 1.180 1.00 0.55 N ATOM 1730 CA ALA A 108 2.577 -15.979 0.042 1.00 0.72 C ATOM 1731 C ALA A 108 3.746 -16.164 -0.927 1.00 0.61 C ATOM 1732 O ALA A 108 4.783 -16.686 -0.572 1.00 0.56 O ATOM 1733 CB ALA A 108 2.578 -14.545 0.574 1.00 1.29 C ATOM 0 H ALA A 108 3.445 -17.639 1.065 1.00 0.55 H new ATOM 0 HA ALA A 108 1.639 -16.173 -0.479 1.00 0.72 H new ATOM 0 HB1 ALA A 108 2.473 -13.848 -0.258 1.00 1.29 H new ATOM 0 HB2 ALA A 108 1.745 -14.413 1.265 1.00 1.29 H new ATOM 0 HB3 ALA A 108 3.516 -14.351 1.094 1.00 1.29 H new ATOM 1739 N ASP A 109 3.586 -15.738 -2.151 1.00 0.63 N ATOM 1740 CA ASP A 109 4.688 -15.889 -3.143 1.00 0.55 C ATOM 1741 C ASP A 109 5.539 -14.618 -3.157 1.00 0.40 C ATOM 1742 O ASP A 109 6.082 -14.211 -2.149 1.00 0.39 O ATOM 1743 CB ASP A 109 4.093 -16.121 -4.534 1.00 0.59 C ATOM 1744 CG ASP A 109 3.381 -17.473 -4.567 1.00 0.70 C ATOM 1745 OD1 ASP A 109 3.490 -18.202 -3.594 1.00 1.38 O ATOM 1746 OD2 ASP A 109 2.737 -17.758 -5.564 1.00 0.46 O ATOM 0 H ASP A 109 2.740 -15.292 -2.506 1.00 0.63 H new ATOM 0 HA ASP A 109 5.311 -16.740 -2.868 1.00 0.55 H new ATOM 0 HB2 ASP A 109 3.392 -15.323 -4.779 1.00 0.59 H new ATOM 0 HB3 ASP A 109 4.881 -16.095 -5.287 1.00 0.59 H new ATOM 1751 N GLN A 110 5.662 -13.988 -4.294 1.00 0.34 N ATOM 1752 CA GLN A 110 6.479 -12.744 -4.371 1.00 0.28 C ATOM 1753 C GLN A 110 5.967 -11.869 -5.517 1.00 0.29 C ATOM 1754 O GLN A 110 5.464 -12.359 -6.508 1.00 0.36 O ATOM 1755 CB GLN A 110 7.943 -13.109 -4.623 1.00 0.33 C ATOM 1756 CG GLN A 110 8.821 -12.475 -3.543 1.00 0.81 C ATOM 1757 CD GLN A 110 10.292 -12.774 -3.839 1.00 0.76 C ATOM 1758 OE1 GLN A 110 11.142 -12.596 -2.989 1.00 1.66 O ATOM 1759 NE2 GLN A 110 10.629 -13.225 -5.016 1.00 1.10 N ATOM 0 H GLN A 110 5.232 -14.281 -5.172 1.00 0.34 H new ATOM 0 HA GLN A 110 6.398 -12.197 -3.431 1.00 0.28 H new ATOM 0 HB2 GLN A 110 8.065 -14.192 -4.616 1.00 0.33 H new ATOM 0 HB3 GLN A 110 8.251 -12.760 -5.608 1.00 0.33 H new ATOM 0 HG2 GLN A 110 8.657 -11.398 -3.512 1.00 0.81 H new ATOM 0 HG3 GLN A 110 8.550 -12.867 -2.563 1.00 0.81 H new ATOM 0 HE21 GLN A 110 9.915 -13.374 -5.729 1.00 1.10 H new ATOM 0 HE22 GLN A 110 11.607 -13.429 -5.223 1.00 1.10 H new ATOM 1768 N SER A 111 6.093 -10.576 -5.391 1.00 0.24 N ATOM 1769 CA SER A 111 5.614 -9.672 -6.474 1.00 0.27 C ATOM 1770 C SER A 111 6.503 -8.428 -6.531 1.00 0.30 C ATOM 1771 O SER A 111 7.260 -8.153 -5.621 1.00 0.46 O ATOM 1772 CB SER A 111 4.170 -9.254 -6.189 1.00 0.21 C ATOM 1773 OG SER A 111 4.006 -9.058 -4.790 1.00 0.27 O ATOM 0 H SER A 111 6.507 -10.107 -4.585 1.00 0.24 H new ATOM 0 HA SER A 111 5.659 -10.195 -7.429 1.00 0.27 H new ATOM 0 HB2 SER A 111 3.932 -8.336 -6.727 1.00 0.21 H new ATOM 0 HB3 SER A 111 3.481 -10.020 -6.544 1.00 0.21 H new ATOM 0 HG SER A 111 3.138 -8.638 -4.618 1.00 0.27 H new ATOM 1779 N THR A 112 6.417 -7.674 -7.593 1.00 0.28 N ATOM 1780 CA THR A 112 7.258 -6.450 -7.708 1.00 0.33 C ATOM 1781 C THR A 112 6.477 -5.244 -7.181 1.00 0.28 C ATOM 1782 O THR A 112 5.267 -5.193 -7.262 1.00 0.27 O ATOM 1783 CB THR A 112 7.625 -6.219 -9.175 1.00 0.43 C ATOM 1784 OG1 THR A 112 6.511 -6.540 -9.996 1.00 0.61 O ATOM 1785 CG2 THR A 112 8.812 -7.105 -9.553 1.00 0.30 C ATOM 0 H THR A 112 5.801 -7.853 -8.386 1.00 0.28 H new ATOM 0 HA THR A 112 8.168 -6.578 -7.122 1.00 0.33 H new ATOM 0 HB THR A 112 7.896 -5.173 -9.321 1.00 0.43 H new ATOM 0 HG1 THR A 112 6.726 -6.343 -10.931 1.00 0.61 H new ATOM 0 HG21 THR A 112 9.072 -6.939 -10.598 1.00 0.30 H new ATOM 0 HG22 THR A 112 9.666 -6.857 -8.923 1.00 0.30 H new ATOM 0 HG23 THR A 112 8.546 -8.152 -9.407 1.00 0.30 H new ATOM 1793 N LEU A 113 7.161 -4.272 -6.642 1.00 0.41 N ATOM 1794 CA LEU A 113 6.458 -3.070 -6.111 1.00 0.42 C ATOM 1795 C LEU A 113 5.643 -2.422 -7.232 1.00 0.40 C ATOM 1796 O LEU A 113 4.558 -1.922 -7.015 1.00 0.39 O ATOM 1797 CB LEU A 113 7.492 -2.070 -5.581 1.00 0.54 C ATOM 1798 CG LEU A 113 6.784 -0.886 -4.911 1.00 0.60 C ATOM 1799 CD1 LEU A 113 6.007 -1.362 -3.680 1.00 0.55 C ATOM 1800 CD2 LEU A 113 7.827 0.148 -4.480 1.00 0.69 C ATOM 0 H LEU A 113 8.176 -4.258 -6.546 1.00 0.41 H new ATOM 0 HA LEU A 113 5.790 -3.363 -5.301 1.00 0.42 H new ATOM 0 HB2 LEU A 113 8.152 -2.562 -4.866 1.00 0.54 H new ATOM 0 HB3 LEU A 113 8.118 -1.714 -6.399 1.00 0.54 H new ATOM 0 HG LEU A 113 6.088 -0.440 -5.621 1.00 0.60 H new ATOM 0 HD11 LEU A 113 5.509 -0.512 -3.213 1.00 0.55 H new ATOM 0 HD12 LEU A 113 5.262 -2.098 -3.982 1.00 0.55 H new ATOM 0 HD13 LEU A 113 6.696 -1.815 -2.967 1.00 0.55 H new ATOM 0 HD21 LEU A 113 7.328 0.991 -4.003 1.00 0.69 H new ATOM 0 HD22 LEU A 113 8.522 -0.308 -3.775 1.00 0.69 H new ATOM 0 HD23 LEU A 113 8.375 0.498 -5.355 1.00 0.69 H new ATOM 1812 N GLU A 114 6.159 -2.424 -8.431 1.00 0.39 N ATOM 1813 CA GLU A 114 5.411 -1.808 -9.563 1.00 0.38 C ATOM 1814 C GLU A 114 4.127 -2.601 -9.816 1.00 0.30 C ATOM 1815 O GLU A 114 3.041 -2.159 -9.499 1.00 0.27 O ATOM 1816 CB GLU A 114 6.281 -1.830 -10.821 1.00 0.42 C ATOM 1817 CG GLU A 114 5.707 -0.860 -11.856 1.00 0.33 C ATOM 1818 CD GLU A 114 6.625 -0.817 -13.080 1.00 0.78 C ATOM 1819 OE1 GLU A 114 6.845 -1.864 -13.667 1.00 1.82 O ATOM 1820 OE2 GLU A 114 7.089 0.262 -13.409 1.00 0.94 O ATOM 0 H GLU A 114 7.065 -2.825 -8.675 1.00 0.39 H new ATOM 0 HA GLU A 114 5.159 -0.777 -9.315 1.00 0.38 H new ATOM 0 HB2 GLU A 114 7.305 -1.550 -10.573 1.00 0.42 H new ATOM 0 HB3 GLU A 114 6.318 -2.838 -11.233 1.00 0.42 H new ATOM 0 HG2 GLU A 114 4.706 -1.176 -12.150 1.00 0.33 H new ATOM 0 HG3 GLU A 114 5.613 0.136 -11.424 1.00 0.33 H new ATOM 1827 N ASN A 115 4.241 -3.770 -10.384 1.00 0.29 N ATOM 1828 CA ASN A 115 3.026 -4.588 -10.654 1.00 0.22 C ATOM 1829 C ASN A 115 2.163 -4.644 -9.392 1.00 0.16 C ATOM 1830 O ASN A 115 0.960 -4.485 -9.443 1.00 0.12 O ATOM 1831 CB ASN A 115 3.442 -6.007 -11.050 1.00 0.21 C ATOM 1832 CG ASN A 115 4.444 -5.942 -12.205 1.00 0.31 C ATOM 1833 OD1 ASN A 115 5.352 -6.744 -12.283 1.00 1.42 O ATOM 1834 ND2 ASN A 115 4.314 -5.012 -13.113 1.00 0.73 N ATOM 0 H ASN A 115 5.123 -4.194 -10.673 1.00 0.29 H new ATOM 0 HA ASN A 115 2.457 -4.137 -11.467 1.00 0.22 H new ATOM 0 HB2 ASN A 115 3.887 -6.518 -10.197 1.00 0.21 H new ATOM 0 HB3 ASN A 115 2.566 -6.585 -11.346 1.00 0.21 H new ATOM 0 HD21 ASN A 115 4.975 -4.960 -13.888 1.00 0.73 H new ATOM 0 HD22 ASN A 115 3.551 -4.338 -13.047 1.00 0.73 H new ATOM 1841 N PHE A 116 2.769 -4.866 -8.258 1.00 0.18 N ATOM 1842 CA PHE A 116 1.984 -4.929 -6.994 1.00 0.17 C ATOM 1843 C PHE A 116 1.102 -3.684 -6.884 1.00 0.20 C ATOM 1844 O PHE A 116 -0.056 -3.762 -6.525 1.00 0.16 O ATOM 1845 CB PHE A 116 2.942 -4.981 -5.801 1.00 0.22 C ATOM 1846 CG PHE A 116 2.159 -4.843 -4.518 1.00 0.31 C ATOM 1847 CD1 PHE A 116 1.841 -3.572 -4.025 1.00 0.43 C ATOM 1848 CD2 PHE A 116 1.750 -5.987 -3.821 1.00 0.31 C ATOM 1849 CE1 PHE A 116 1.116 -3.444 -2.834 1.00 0.53 C ATOM 1850 CE2 PHE A 116 1.024 -5.859 -2.631 1.00 0.43 C ATOM 1851 CZ PHE A 116 0.707 -4.588 -2.137 1.00 0.53 C ATOM 0 H PHE A 116 3.774 -5.006 -8.153 1.00 0.18 H new ATOM 0 HA PHE A 116 1.358 -5.822 -6.997 1.00 0.17 H new ATOM 0 HB2 PHE A 116 3.492 -5.922 -5.804 1.00 0.22 H new ATOM 0 HB3 PHE A 116 3.678 -4.181 -5.878 1.00 0.22 H new ATOM 0 HD1 PHE A 116 2.155 -2.690 -4.563 1.00 0.43 H new ATOM 0 HD2 PHE A 116 1.995 -6.968 -4.202 1.00 0.31 H new ATOM 0 HE1 PHE A 116 0.872 -2.463 -2.453 1.00 0.53 H new ATOM 0 HE2 PHE A 116 0.708 -6.741 -2.094 1.00 0.43 H new ATOM 0 HZ PHE A 116 0.147 -4.490 -1.219 1.00 0.53 H new ATOM 1861 N LEU A 117 1.639 -2.536 -7.194 1.00 0.32 N ATOM 1862 CA LEU A 117 0.831 -1.288 -7.111 1.00 0.36 C ATOM 1863 C LEU A 117 -0.200 -1.273 -8.242 1.00 0.32 C ATOM 1864 O LEU A 117 -1.178 -0.554 -8.194 1.00 0.38 O ATOM 1865 CB LEU A 117 1.752 -0.073 -7.246 1.00 0.45 C ATOM 1866 CG LEU A 117 2.139 0.436 -5.856 1.00 0.48 C ATOM 1867 CD1 LEU A 117 3.406 1.289 -5.959 1.00 0.54 C ATOM 1868 CD2 LEU A 117 1.002 1.286 -5.283 1.00 0.67 C ATOM 0 H LEU A 117 2.603 -2.409 -7.501 1.00 0.32 H new ATOM 0 HA LEU A 117 0.319 -1.250 -6.150 1.00 0.36 H new ATOM 0 HB2 LEU A 117 2.647 -0.343 -7.807 1.00 0.45 H new ATOM 0 HB3 LEU A 117 1.250 0.716 -7.806 1.00 0.45 H new ATOM 0 HG LEU A 117 2.322 -0.415 -5.200 1.00 0.48 H new ATOM 0 HD11 LEU A 117 3.682 1.652 -4.969 1.00 0.54 H new ATOM 0 HD12 LEU A 117 4.219 0.686 -6.364 1.00 0.54 H new ATOM 0 HD13 LEU A 117 3.221 2.138 -6.618 1.00 0.54 H new ATOM 0 HD21 LEU A 117 1.281 1.647 -4.293 1.00 0.67 H new ATOM 0 HD22 LEU A 117 0.816 2.136 -5.940 1.00 0.67 H new ATOM 0 HD23 LEU A 117 0.098 0.681 -5.207 1.00 0.67 H new ATOM 1880 N GLU A 118 0.011 -2.063 -9.259 1.00 0.29 N ATOM 1881 CA GLU A 118 -0.955 -2.094 -10.393 1.00 0.31 C ATOM 1882 C GLU A 118 -2.160 -2.957 -10.012 1.00 0.28 C ATOM 1883 O GLU A 118 -3.289 -2.511 -10.043 1.00 0.38 O ATOM 1884 CB GLU A 118 -0.271 -2.685 -11.627 1.00 0.33 C ATOM 1885 CG GLU A 118 -0.988 -2.202 -12.890 1.00 0.28 C ATOM 1886 CD GLU A 118 -2.445 -2.666 -12.862 1.00 2.32 C ATOM 1887 OE1 GLU A 118 -2.668 -3.861 -12.968 1.00 3.52 O ATOM 1888 OE2 GLU A 118 -3.314 -1.819 -12.734 1.00 3.07 O ATOM 0 H GLU A 118 0.811 -2.689 -9.353 1.00 0.29 H new ATOM 0 HA GLU A 118 -1.291 -1.081 -10.615 1.00 0.31 H new ATOM 0 HB2 GLU A 118 0.777 -2.385 -11.654 1.00 0.33 H new ATOM 0 HB3 GLU A 118 -0.290 -3.774 -11.580 1.00 0.33 H new ATOM 0 HG2 GLU A 118 -0.943 -1.115 -12.952 1.00 0.28 H new ATOM 0 HG3 GLU A 118 -0.488 -2.593 -13.776 1.00 0.28 H new ATOM 1895 N ARG A 119 -1.929 -4.191 -9.654 1.00 0.20 N ATOM 1896 CA ARG A 119 -3.062 -5.080 -9.274 1.00 0.24 C ATOM 1897 C ARG A 119 -3.786 -4.494 -8.059 1.00 0.23 C ATOM 1898 O ARG A 119 -4.991 -4.593 -7.936 1.00 0.27 O ATOM 1899 CB ARG A 119 -2.525 -6.470 -8.926 1.00 0.26 C ATOM 1900 CG ARG A 119 -1.549 -6.363 -7.754 1.00 0.23 C ATOM 1901 CD ARG A 119 -0.663 -7.610 -7.711 1.00 0.27 C ATOM 1902 NE ARG A 119 -1.398 -8.762 -8.304 1.00 0.31 N ATOM 1903 CZ ARG A 119 -0.751 -9.843 -8.646 1.00 0.29 C ATOM 1904 NH1 ARG A 119 0.540 -9.914 -8.468 1.00 0.41 N ATOM 1905 NH2 ARG A 119 -1.395 -10.852 -9.166 1.00 0.52 N ATOM 0 H ARG A 119 -1.005 -4.621 -9.608 1.00 0.20 H new ATOM 0 HA ARG A 119 -3.758 -5.158 -10.109 1.00 0.24 H new ATOM 0 HB2 ARG A 119 -3.349 -7.135 -8.667 1.00 0.26 H new ATOM 0 HB3 ARG A 119 -2.024 -6.905 -9.791 1.00 0.26 H new ATOM 0 HG2 ARG A 119 -0.933 -5.470 -7.860 1.00 0.23 H new ATOM 0 HG3 ARG A 119 -2.098 -6.262 -6.818 1.00 0.23 H new ATOM 0 HD2 ARG A 119 0.261 -7.432 -8.262 1.00 0.27 H new ATOM 0 HD3 ARG A 119 -0.383 -7.835 -6.682 1.00 0.27 H new ATOM 0 HE ARG A 119 -2.407 -8.706 -8.443 1.00 0.31 H new ATOM 0 HH11 ARG A 119 1.043 -9.125 -8.062 1.00 0.41 H new ATOM 0 HH12 ARG A 119 1.046 -10.758 -8.735 1.00 0.41 H new ATOM 0 HH21 ARG A 119 -2.404 -10.796 -9.305 1.00 0.52 H new ATOM 0 HH22 ARG A 119 -0.889 -11.697 -9.433 1.00 0.52 H new ATOM 1919 N LEU A 120 -3.062 -3.885 -7.161 1.00 0.19 N ATOM 1920 CA LEU A 120 -3.711 -3.293 -5.957 1.00 0.18 C ATOM 1921 C LEU A 120 -4.590 -2.116 -6.385 1.00 0.18 C ATOM 1922 O LEU A 120 -5.784 -2.106 -6.160 1.00 0.18 O ATOM 1923 CB LEU A 120 -2.631 -2.804 -4.987 1.00 0.19 C ATOM 1924 CG LEU A 120 -3.214 -2.675 -3.575 1.00 0.20 C ATOM 1925 CD1 LEU A 120 -2.100 -2.291 -2.599 1.00 0.21 C ATOM 1926 CD2 LEU A 120 -4.300 -1.594 -3.551 1.00 0.20 C ATOM 0 H LEU A 120 -2.049 -3.772 -7.209 1.00 0.19 H new ATOM 0 HA LEU A 120 -4.327 -4.045 -5.463 1.00 0.18 H new ATOM 0 HB2 LEU A 120 -1.793 -3.501 -4.981 1.00 0.19 H new ATOM 0 HB3 LEU A 120 -2.242 -1.841 -5.318 1.00 0.19 H new ATOM 0 HG LEU A 120 -3.651 -3.630 -3.282 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -2.512 -2.199 -1.594 1.00 0.21 H new ATOM 0 HD12 LEU A 120 -1.329 -3.061 -2.605 1.00 0.21 H new ATOM 0 HD13 LEU A 120 -1.664 -1.339 -2.901 1.00 0.21 H new ATOM 0 HD21 LEU A 120 -4.708 -1.510 -2.544 1.00 0.20 H new ATOM 0 HD22 LEU A 120 -3.869 -0.638 -3.849 1.00 0.20 H new ATOM 0 HD23 LEU A 120 -5.097 -1.864 -4.244 1.00 0.20 H new ATOM 1938 N LYS A 121 -4.009 -1.124 -7.002 1.00 0.19 N ATOM 1939 CA LYS A 121 -4.812 0.051 -7.443 1.00 0.19 C ATOM 1940 C LYS A 121 -6.037 -0.433 -8.220 1.00 0.18 C ATOM 1941 O LYS A 121 -7.144 0.017 -7.996 1.00 0.21 O ATOM 1942 CB LYS A 121 -3.957 0.944 -8.345 1.00 0.21 C ATOM 1943 CG LYS A 121 -4.689 2.263 -8.599 1.00 0.20 C ATOM 1944 CD LYS A 121 -4.605 2.617 -10.085 1.00 0.78 C ATOM 1945 CE LYS A 121 -3.139 2.656 -10.520 1.00 0.86 C ATOM 1946 NZ LYS A 121 -2.899 3.871 -11.349 1.00 1.00 N ATOM 0 H LYS A 121 -3.014 -1.076 -7.220 1.00 0.19 H new ATOM 0 HA LYS A 121 -5.135 0.619 -6.570 1.00 0.19 H new ATOM 0 HB2 LYS A 121 -2.992 1.136 -7.875 1.00 0.21 H new ATOM 0 HB3 LYS A 121 -3.757 0.439 -9.290 1.00 0.21 H new ATOM 0 HG2 LYS A 121 -5.732 2.177 -8.293 1.00 0.20 H new ATOM 0 HG3 LYS A 121 -4.246 3.058 -7.999 1.00 0.20 H new ATOM 0 HD2 LYS A 121 -5.151 1.882 -10.676 1.00 0.78 H new ATOM 0 HD3 LYS A 121 -5.075 3.584 -10.266 1.00 0.78 H new ATOM 0 HE2 LYS A 121 -2.489 2.665 -9.645 1.00 0.86 H new ATOM 0 HE3 LYS A 121 -2.894 1.760 -11.090 1.00 0.86 H new ATOM 0 HZ1 LYS A 121 -1.902 3.898 -11.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -3.509 3.843 -12.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -3.117 4.721 -10.791 1.00 1.00 H new ATOM 1960 N THR A 122 -5.850 -1.347 -9.132 1.00 0.16 N ATOM 1961 CA THR A 122 -7.006 -1.859 -9.921 1.00 0.16 C ATOM 1962 C THR A 122 -8.017 -2.515 -8.977 1.00 0.20 C ATOM 1963 O THR A 122 -9.198 -2.235 -9.026 1.00 0.21 O ATOM 1964 CB THR A 122 -6.513 -2.892 -10.938 1.00 0.15 C ATOM 1965 OG1 THR A 122 -5.227 -2.513 -11.409 1.00 0.34 O ATOM 1966 CG2 THR A 122 -7.490 -2.960 -12.112 1.00 0.20 C ATOM 0 H THR A 122 -4.947 -1.761 -9.365 1.00 0.16 H new ATOM 0 HA THR A 122 -7.483 -1.031 -10.446 1.00 0.16 H new ATOM 0 HB THR A 122 -6.452 -3.871 -10.463 1.00 0.15 H new ATOM 0 HG1 THR A 122 -4.539 -2.889 -10.821 1.00 0.34 H new ATOM 0 HG21 THR A 122 -7.139 -3.695 -12.836 1.00 0.20 H new ATOM 0 HG22 THR A 122 -8.476 -3.251 -11.749 1.00 0.20 H new ATOM 0 HG23 THR A 122 -7.553 -1.982 -12.590 1.00 0.20 H new ATOM 1974 N ILE A 123 -7.562 -3.384 -8.117 1.00 0.22 N ATOM 1975 CA ILE A 123 -8.497 -4.054 -7.171 1.00 0.26 C ATOM 1976 C ILE A 123 -9.338 -2.998 -6.453 1.00 0.25 C ATOM 1977 O ILE A 123 -10.520 -3.176 -6.232 1.00 0.34 O ATOM 1978 CB ILE A 123 -7.695 -4.854 -6.143 1.00 0.27 C ATOM 1979 CG1 ILE A 123 -7.280 -6.196 -6.752 1.00 0.26 C ATOM 1980 CG2 ILE A 123 -8.558 -5.104 -4.905 1.00 0.33 C ATOM 1981 CD1 ILE A 123 -6.227 -6.857 -5.861 1.00 0.27 C ATOM 0 H ILE A 123 -6.584 -3.659 -8.029 1.00 0.22 H new ATOM 0 HA ILE A 123 -9.153 -4.727 -7.723 1.00 0.26 H new ATOM 0 HB ILE A 123 -6.805 -4.291 -5.860 1.00 0.27 H new ATOM 0 HG12 ILE A 123 -8.149 -6.847 -6.851 1.00 0.26 H new ATOM 0 HG13 ILE A 123 -6.880 -6.044 -7.755 1.00 0.26 H new ATOM 0 HG21 ILE A 123 -7.987 -5.674 -4.172 1.00 0.33 H new ATOM 0 HG22 ILE A 123 -8.856 -4.150 -4.470 1.00 0.33 H new ATOM 0 HG23 ILE A 123 -9.447 -5.667 -5.189 1.00 0.33 H new ATOM 0 HD11 ILE A 123 -5.931 -7.812 -6.294 1.00 0.27 H new ATOM 0 HD12 ILE A 123 -5.355 -6.208 -5.785 1.00 0.27 H new ATOM 0 HD13 ILE A 123 -6.643 -7.023 -4.867 1.00 0.27 H new ATOM 1993 N MET A 124 -8.739 -1.899 -6.087 1.00 0.18 N ATOM 1994 CA MET A 124 -9.505 -0.830 -5.384 1.00 0.17 C ATOM 1995 C MET A 124 -10.597 -0.294 -6.311 1.00 0.18 C ATOM 1996 O MET A 124 -11.753 -0.214 -5.944 1.00 0.16 O ATOM 1997 CB MET A 124 -8.557 0.308 -5.000 1.00 0.18 C ATOM 1998 CG MET A 124 -7.885 -0.016 -3.665 1.00 0.16 C ATOM 1999 SD MET A 124 -8.971 0.484 -2.306 1.00 0.64 S ATOM 2000 CE MET A 124 -7.710 0.513 -1.008 1.00 0.45 C ATOM 0 H MET A 124 -7.752 -1.694 -6.244 1.00 0.18 H new ATOM 0 HA MET A 124 -9.962 -1.241 -4.484 1.00 0.17 H new ATOM 0 HB2 MET A 124 -7.803 0.444 -5.775 1.00 0.18 H new ATOM 0 HB3 MET A 124 -9.109 1.245 -4.924 1.00 0.18 H new ATOM 0 HG2 MET A 124 -7.673 -1.083 -3.602 1.00 0.16 H new ATOM 0 HG3 MET A 124 -6.930 0.503 -3.591 1.00 0.16 H new ATOM 0 HE1 MET A 124 -8.168 0.803 -0.062 1.00 0.45 H new ATOM 0 HE2 MET A 124 -7.268 -0.478 -0.908 1.00 0.45 H new ATOM 0 HE3 MET A 124 -6.934 1.232 -1.271 1.00 0.45 H new ATOM 2010 N ARG A 125 -10.241 0.073 -7.512 1.00 0.26 N ATOM 2011 CA ARG A 125 -11.260 0.604 -8.461 1.00 0.28 C ATOM 2012 C ARG A 125 -12.317 -0.470 -8.727 1.00 0.29 C ATOM 2013 O ARG A 125 -13.409 -0.181 -9.174 1.00 0.38 O ATOM 2014 CB ARG A 125 -10.579 0.986 -9.777 1.00 0.29 C ATOM 2015 CG ARG A 125 -9.580 2.118 -9.527 1.00 1.06 C ATOM 2016 CD ARG A 125 -10.204 3.450 -9.946 1.00 0.54 C ATOM 2017 NE ARG A 125 -9.251 4.558 -9.652 1.00 1.77 N ATOM 2018 CZ ARG A 125 -9.433 5.734 -10.187 1.00 1.69 C ATOM 2019 NH1 ARG A 125 -10.449 5.940 -10.980 1.00 1.76 N ATOM 2020 NH2 ARG A 125 -8.599 6.705 -9.931 1.00 2.88 N ATOM 0 H ARG A 125 -9.289 0.028 -7.877 1.00 0.26 H new ATOM 0 HA ARG A 125 -11.737 1.484 -8.029 1.00 0.28 H new ATOM 0 HB2 ARG A 125 -10.066 0.121 -10.198 1.00 0.29 H new ATOM 0 HB3 ARG A 125 -11.325 1.300 -10.507 1.00 0.29 H new ATOM 0 HG2 ARG A 125 -9.305 2.149 -8.473 1.00 1.06 H new ATOM 0 HG3 ARG A 125 -8.664 1.940 -10.090 1.00 1.06 H new ATOM 0 HD2 ARG A 125 -10.443 3.434 -11.009 1.00 0.54 H new ATOM 0 HD3 ARG A 125 -11.140 3.610 -9.411 1.00 0.54 H new ATOM 0 HE ARG A 125 -8.457 4.397 -9.033 1.00 1.77 H new ATOM 0 HH11 ARG A 125 -11.101 5.182 -11.181 1.00 1.76 H new ATOM 0 HH12 ARG A 125 -10.591 6.859 -11.398 1.00 1.76 H new ATOM 0 HH21 ARG A 125 -7.804 6.545 -9.312 1.00 2.88 H new ATOM 0 HH22 ARG A 125 -8.742 7.624 -10.350 1.00 2.88 H new ATOM 2034 N GLU A 126 -12.003 -1.706 -8.453 1.00 0.24 N ATOM 2035 CA GLU A 126 -12.990 -2.796 -8.690 1.00 0.25 C ATOM 2036 C GLU A 126 -13.928 -2.905 -7.486 1.00 0.32 C ATOM 2037 O GLU A 126 -15.133 -2.961 -7.628 1.00 0.39 O ATOM 2038 CB GLU A 126 -12.250 -4.122 -8.882 1.00 0.29 C ATOM 2039 CG GLU A 126 -12.984 -4.971 -9.922 1.00 0.33 C ATOM 2040 CD GLU A 126 -12.532 -6.428 -9.804 1.00 0.75 C ATOM 2041 OE1 GLU A 126 -12.480 -6.922 -8.689 1.00 1.24 O ATOM 2042 OE2 GLU A 126 -12.249 -7.024 -10.829 1.00 1.59 O ATOM 0 H GLU A 126 -11.105 -2.008 -8.075 1.00 0.24 H new ATOM 0 HA GLU A 126 -13.571 -2.572 -9.584 1.00 0.25 H new ATOM 0 HB2 GLU A 126 -11.226 -3.936 -9.206 1.00 0.29 H new ATOM 0 HB3 GLU A 126 -12.192 -4.658 -7.935 1.00 0.29 H new ATOM 0 HG2 GLU A 126 -14.061 -4.900 -9.770 1.00 0.33 H new ATOM 0 HG3 GLU A 126 -12.778 -4.595 -10.924 1.00 0.33 H new ATOM 2049 N LYS A 127 -13.384 -2.936 -6.300 1.00 0.33 N ATOM 2050 CA LYS A 127 -14.244 -3.041 -5.088 1.00 0.40 C ATOM 2051 C LYS A 127 -14.888 -1.683 -4.801 1.00 0.37 C ATOM 2052 O LYS A 127 -15.894 -1.593 -4.126 1.00 0.46 O ATOM 2053 CB LYS A 127 -13.390 -3.464 -3.891 1.00 0.42 C ATOM 2054 CG LYS A 127 -12.724 -4.809 -4.189 1.00 0.41 C ATOM 2055 CD LYS A 127 -12.781 -5.695 -2.943 1.00 0.34 C ATOM 2056 CE LYS A 127 -11.844 -6.891 -3.123 1.00 0.60 C ATOM 2057 NZ LYS A 127 -12.341 -7.748 -4.237 1.00 1.53 N ATOM 0 H LYS A 127 -12.381 -2.893 -6.118 1.00 0.33 H new ATOM 0 HA LYS A 127 -15.023 -3.784 -5.258 1.00 0.40 H new ATOM 0 HB2 LYS A 127 -12.632 -2.708 -3.686 1.00 0.42 H new ATOM 0 HB3 LYS A 127 -14.010 -3.543 -2.998 1.00 0.42 H new ATOM 0 HG2 LYS A 127 -13.229 -5.300 -5.021 1.00 0.41 H new ATOM 0 HG3 LYS A 127 -11.688 -4.655 -4.491 1.00 0.41 H new ATOM 0 HD2 LYS A 127 -12.491 -5.122 -2.063 1.00 0.34 H new ATOM 0 HD3 LYS A 127 -13.801 -6.041 -2.776 1.00 0.34 H new ATOM 0 HE2 LYS A 127 -10.833 -6.545 -3.339 1.00 0.60 H new ATOM 0 HE3 LYS A 127 -11.793 -7.469 -2.200 1.00 0.60 H new ATOM 0 HZ1 LYS A 127 -11.809 -8.642 -4.251 1.00 1.53 H new ATOM 0 HZ2 LYS A 127 -13.352 -7.949 -4.096 1.00 1.53 H new ATOM 0 HZ3 LYS A 127 -12.209 -7.252 -5.142 1.00 1.53 H new ATOM 2071 N TYR A 128 -14.315 -0.626 -5.307 1.00 0.35 N ATOM 2072 CA TYR A 128 -14.895 0.725 -5.062 1.00 0.34 C ATOM 2073 C TYR A 128 -16.240 0.841 -5.783 1.00 0.38 C ATOM 2074 O TYR A 128 -16.932 1.833 -5.670 1.00 0.44 O ATOM 2075 CB TYR A 128 -13.938 1.795 -5.592 1.00 0.37 C ATOM 2076 CG TYR A 128 -14.460 3.163 -5.226 1.00 0.38 C ATOM 2077 CD1 TYR A 128 -14.146 3.723 -3.982 1.00 0.37 C ATOM 2078 CD2 TYR A 128 -15.257 3.873 -6.131 1.00 0.44 C ATOM 2079 CE1 TYR A 128 -14.629 4.992 -3.643 1.00 0.44 C ATOM 2080 CE2 TYR A 128 -15.741 5.143 -5.792 1.00 0.51 C ATOM 2081 CZ TYR A 128 -15.427 5.702 -4.548 1.00 0.51 C ATOM 2082 OH TYR A 128 -15.904 6.953 -4.214 1.00 0.61 O ATOM 0 H TYR A 128 -13.471 -0.639 -5.879 1.00 0.35 H new ATOM 0 HA TYR A 128 -15.043 0.868 -3.992 1.00 0.34 H new ATOM 0 HB2 TYR A 128 -12.943 1.649 -5.171 1.00 0.37 H new ATOM 0 HB3 TYR A 128 -13.842 1.708 -6.674 1.00 0.37 H new ATOM 0 HD1 TYR A 128 -13.531 3.175 -3.283 1.00 0.37 H new ATOM 0 HD2 TYR A 128 -15.499 3.442 -7.091 1.00 0.44 H new ATOM 0 HE1 TYR A 128 -14.386 5.424 -2.683 1.00 0.44 H new ATOM 0 HE2 TYR A 128 -16.356 5.691 -6.490 1.00 0.51 H new ATOM 0 HH TYR A 128 -16.440 7.307 -4.954 1.00 0.61 H new