USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 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 68 THR OG1 : rot -56:sc= 0.0492 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.305 K(o=0.35,f=-4.1!) USER MOD Set 2.1: A 53 TYR OH : rot 142:sc= -0.39 USER MOD Set 2.2: A 111 HIS : no HE2:sc= 0.00104 X(o=-0.39,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0457) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 2.25 (180deg=-0.423) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -33:sc= 1.27 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.53 K(o=-2.5,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 1.17 (180deg=1.16) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -112:sc= -1.19 (180deg=-4.83!) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= -0.0176 (180deg=-0.345) USER MOD Single : A 79 SER OG : rot 54:sc= 0.853 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0012) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 0.243 (180deg=-0.465!) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -2.2! (180deg=-3.56!) USER MOD Single : A 110 ASN : amide:sc= 1.43 K(o=1.4,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= 0.541 (180deg=0.5) USER MOD Single : A 116 LYS NZ :NH3+ -134:sc= -1.61! (180deg=-4.9!) USER MOD Single : A 120 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-1.3) USER MOD Single : A 129 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-0.072) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -2.64! C(o=-2.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -14.702 -3.842 -0.586 1.00 0.85 N ATOM 117 CA TRP A 44 -13.284 -3.528 -0.641 1.00 0.73 C ATOM 118 C TRP A 44 -12.630 -4.376 -1.728 1.00 0.63 C ATOM 119 O TRP A 44 -12.434 -5.580 -1.557 1.00 0.64 O ATOM 120 CB TRP A 44 -12.629 -3.782 0.728 1.00 0.78 C ATOM 121 CG TRP A 44 -11.426 -2.930 0.988 1.00 0.67 C ATOM 122 CD1 TRP A 44 -11.294 -1.604 0.711 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.191 -3.334 1.606 1.00 0.61 C ATOM 124 NE1 TRP A 44 -10.054 -1.162 1.096 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.362 -2.204 1.651 1.00 0.60 C ATOM 126 CE3 TRP A 44 -9.710 -4.542 2.120 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -8.077 -2.240 2.188 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -8.434 -4.579 2.651 1.00 0.67 C ATOM 129 CH2 TRP A 44 -7.633 -3.436 2.683 1.00 0.67 C ATOM 0 HA TRP A 44 -13.147 -2.474 -0.883 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.365 -3.604 1.512 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.341 -4.831 0.794 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -12.055 -0.989 0.254 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -9.704 -0.210 0.986 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -10.324 -5.430 2.103 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -7.455 -1.358 2.213 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -8.051 -5.507 3.048 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -6.642 -3.497 3.107 1.00 0.67 H new ATOM 140 N VAL A 45 -12.322 -3.742 -2.857 1.00 0.62 N ATOM 141 CA VAL A 45 -11.836 -4.444 -4.047 1.00 0.60 C ATOM 142 C VAL A 45 -10.596 -5.288 -3.760 1.00 0.54 C ATOM 143 O VAL A 45 -10.529 -6.455 -4.145 1.00 0.62 O ATOM 144 CB VAL A 45 -11.528 -3.454 -5.188 1.00 0.73 C ATOM 145 CG1 VAL A 45 -10.924 -4.168 -6.388 1.00 1.24 C ATOM 146 CG2 VAL A 45 -12.791 -2.708 -5.581 1.00 1.09 C ATOM 0 H VAL A 45 -12.401 -2.732 -2.975 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.638 -5.115 -4.354 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.792 -2.734 -4.831 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -10.718 -3.444 -7.176 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -9.996 -4.656 -6.092 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -11.625 -4.916 -6.757 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -12.565 -2.010 -6.388 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -13.545 -3.420 -5.917 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -13.171 -2.157 -4.721 1.00 1.09 H new ATOM 156 N VAL A 46 -9.626 -4.703 -3.073 1.00 0.52 N ATOM 157 CA VAL A 46 -8.396 -5.417 -2.737 1.00 0.53 C ATOM 158 C VAL A 46 -8.668 -6.507 -1.712 1.00 0.52 C ATOM 159 O VAL A 46 -7.931 -7.486 -1.607 1.00 0.51 O ATOM 160 CB VAL A 46 -7.316 -4.452 -2.212 1.00 0.63 C ATOM 161 CG1 VAL A 46 -7.863 -3.552 -1.122 1.00 1.25 C ATOM 162 CG2 VAL A 46 -6.103 -5.214 -1.712 1.00 1.30 C ATOM 0 H VAL A 46 -9.663 -3.741 -2.737 1.00 0.52 H new ATOM 0 HA VAL A 46 -8.024 -5.881 -3.651 1.00 0.53 H new ATOM 0 HB VAL A 46 -7.007 -3.822 -3.046 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -7.076 -2.883 -0.773 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -8.691 -2.963 -1.518 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -8.216 -4.161 -0.290 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -5.356 -4.509 -1.347 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -6.400 -5.880 -0.902 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -5.680 -5.801 -2.528 1.00 1.30 H new ATOM 172 N GLY A 47 -9.760 -6.345 -0.989 1.00 0.57 N ATOM 173 CA GLY A 47 -10.154 -7.327 -0.013 1.00 0.58 C ATOM 174 C GLY A 47 -10.574 -8.632 -0.656 1.00 0.57 C ATOM 175 O GLY A 47 -10.722 -9.648 0.020 1.00 0.62 O ATOM 0 H GLY A 47 -10.385 -5.542 -1.063 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.325 -7.510 0.671 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -10.978 -6.935 0.583 1.00 0.58 H new ATOM 179 N LYS A 48 -10.755 -8.600 -1.971 1.00 0.59 N ATOM 180 CA LYS A 48 -11.108 -9.789 -2.726 1.00 0.67 C ATOM 181 C LYS A 48 -9.859 -10.625 -2.995 1.00 0.65 C ATOM 182 O LYS A 48 -9.930 -11.846 -3.114 1.00 0.80 O ATOM 183 CB LYS A 48 -11.770 -9.393 -4.050 1.00 0.77 C ATOM 184 CG LYS A 48 -12.550 -10.519 -4.718 1.00 1.27 C ATOM 185 CD LYS A 48 -13.756 -10.938 -3.891 1.00 1.65 C ATOM 186 CE LYS A 48 -14.709 -9.775 -3.641 1.00 2.24 C ATOM 187 NZ LYS A 48 -15.282 -9.233 -4.900 1.00 2.99 N ATOM 0 H LYS A 48 -10.662 -7.756 -2.537 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.813 -10.382 -2.143 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -12.444 -8.556 -3.870 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -11.001 -9.041 -4.737 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -12.881 -10.196 -5.705 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -11.895 -11.377 -4.866 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -14.288 -11.738 -4.405 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -13.418 -11.342 -2.936 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -15.518 -10.105 -2.989 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -14.179 -8.981 -3.115 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -15.999 -8.514 -4.674 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -14.525 -8.801 -5.468 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -15.724 -10.004 -5.441 1.00 2.99 H new ATOM 201 N ASP A 49 -8.712 -9.952 -3.054 1.00 0.61 N ATOM 202 CA ASP A 49 -7.435 -10.607 -3.329 1.00 0.70 C ATOM 203 C ASP A 49 -6.665 -10.819 -2.026 1.00 0.53 C ATOM 204 O ASP A 49 -5.487 -11.186 -2.036 1.00 0.46 O ATOM 205 CB ASP A 49 -6.573 -9.749 -4.264 1.00 0.96 C ATOM 206 CG ASP A 49 -7.158 -9.526 -5.647 1.00 1.38 C ATOM 207 OD1 ASP A 49 -7.427 -10.515 -6.355 1.00 1.80 O ATOM 208 OD2 ASP A 49 -7.282 -8.343 -6.062 1.00 1.82 O ATOM 0 H ASP A 49 -8.641 -8.944 -2.914 1.00 0.61 H new ATOM 0 HA ASP A 49 -7.646 -11.565 -3.804 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -6.408 -8.779 -3.794 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -5.597 -10.222 -4.370 1.00 0.96 H new ATOM 213 N LYS A 50 -7.352 -10.592 -0.913 1.00 0.52 N ATOM 214 CA LYS A 50 -6.727 -10.574 0.411 1.00 0.46 C ATOM 215 C LYS A 50 -5.894 -11.819 0.734 1.00 0.43 C ATOM 216 O LYS A 50 -4.719 -11.679 1.059 1.00 0.43 O ATOM 217 CB LYS A 50 -7.776 -10.342 1.503 1.00 0.51 C ATOM 218 CG LYS A 50 -7.896 -8.887 1.923 1.00 0.55 C ATOM 219 CD LYS A 50 -6.617 -8.403 2.588 1.00 0.74 C ATOM 220 CE LYS A 50 -6.363 -9.145 3.894 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.086 -8.742 4.535 1.00 0.93 N ATOM 0 H LYS A 50 -8.356 -10.415 -0.899 1.00 0.52 H new ATOM 0 HA LYS A 50 -6.024 -9.741 0.387 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.745 -10.691 1.146 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -7.522 -10.945 2.375 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.112 -8.270 1.051 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.734 -8.772 2.611 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -5.774 -8.550 1.913 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -6.687 -7.333 2.782 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -7.187 -8.956 4.582 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -6.347 -10.218 3.702 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -4.641 -9.573 4.975 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -4.446 -8.347 3.816 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -5.275 -8.024 5.263 1.00 0.93 H new ATOM 235 N PRO A 51 -6.461 -13.043 0.653 1.00 0.46 N ATOM 236 CA PRO A 51 -5.757 -14.271 1.062 1.00 0.48 C ATOM 237 C PRO A 51 -4.377 -14.401 0.426 1.00 0.42 C ATOM 238 O PRO A 51 -3.419 -14.850 1.063 1.00 0.44 O ATOM 239 CB PRO A 51 -6.673 -15.403 0.571 1.00 0.57 C ATOM 240 CG PRO A 51 -7.634 -14.748 -0.360 1.00 0.54 C ATOM 241 CD PRO A 51 -7.807 -13.353 0.159 1.00 0.51 C ATOM 0 HA PRO A 51 -5.578 -14.283 2.137 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -6.102 -16.181 0.065 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -7.192 -15.879 1.403 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -7.250 -14.742 -1.380 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.585 -15.280 -0.380 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -8.124 -12.663 -0.623 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.554 -13.302 0.951 1.00 0.51 H new ATOM 249 N THR A 52 -4.277 -13.981 -0.826 1.00 0.39 N ATOM 250 CA THR A 52 -3.028 -14.064 -1.560 1.00 0.41 C ATOM 251 C THR A 52 -2.014 -13.067 -0.998 1.00 0.35 C ATOM 252 O THR A 52 -0.846 -13.405 -0.781 1.00 0.38 O ATOM 253 CB THR A 52 -3.260 -13.783 -3.058 1.00 0.51 C ATOM 254 OG1 THR A 52 -4.401 -14.521 -3.519 1.00 0.67 O ATOM 255 CG2 THR A 52 -2.044 -14.170 -3.886 1.00 0.56 C ATOM 0 H THR A 52 -5.050 -13.578 -1.355 1.00 0.39 H new ATOM 0 HA THR A 52 -2.634 -15.074 -1.449 1.00 0.41 H new ATOM 0 HB THR A 52 -3.434 -12.714 -3.177 1.00 0.51 H new ATOM 0 HG1 THR A 52 -4.546 -14.338 -4.471 1.00 0.67 H new ATOM 0 HG21 THR A 52 -2.238 -13.960 -4.938 1.00 0.56 H new ATOM 0 HG22 THR A 52 -1.180 -13.594 -3.555 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.841 -15.234 -3.760 1.00 0.56 H new ATOM 263 N TYR A 53 -2.474 -11.856 -0.714 1.00 0.33 N ATOM 264 CA TYR A 53 -1.590 -10.819 -0.202 1.00 0.37 C ATOM 265 C TYR A 53 -1.233 -11.095 1.251 1.00 0.32 C ATOM 266 O TYR A 53 -0.200 -10.644 1.744 1.00 0.35 O ATOM 267 CB TYR A 53 -2.247 -9.441 -0.302 1.00 0.48 C ATOM 268 CG TYR A 53 -2.730 -9.058 -1.684 1.00 0.57 C ATOM 269 CD1 TYR A 53 -2.149 -9.577 -2.836 1.00 0.67 C ATOM 270 CD2 TYR A 53 -3.774 -8.158 -1.830 1.00 0.65 C ATOM 271 CE1 TYR A 53 -2.596 -9.206 -4.090 1.00 0.76 C ATOM 272 CE2 TYR A 53 -4.225 -7.781 -3.075 1.00 0.76 C ATOM 273 CZ TYR A 53 -3.635 -8.304 -4.206 1.00 0.81 C ATOM 274 OH TYR A 53 -4.086 -7.931 -5.453 1.00 0.92 O ATOM 0 H TYR A 53 -3.446 -11.569 -0.828 1.00 0.33 H new ATOM 0 HA TYR A 53 -0.685 -10.827 -0.809 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -3.094 -9.409 0.384 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -1.534 -8.690 0.037 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -1.335 -10.282 -2.749 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -4.243 -7.744 -0.950 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -2.135 -9.620 -4.975 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -5.039 -7.077 -3.165 1.00 0.76 H new ATOM 0 HH TYR A 53 -5.061 -7.837 -5.434 1.00 0.92 H new ATOM 284 N ASP A 54 -2.081 -11.858 1.929 1.00 0.32 N ATOM 285 CA ASP A 54 -1.811 -12.265 3.301 1.00 0.40 C ATOM 286 C ASP A 54 -0.659 -13.242 3.322 1.00 0.43 C ATOM 287 O ASP A 54 0.274 -13.114 4.119 1.00 0.49 O ATOM 288 CB ASP A 54 -3.034 -12.920 3.937 1.00 0.50 C ATOM 289 CG ASP A 54 -4.069 -11.913 4.402 1.00 1.22 C ATOM 290 OD1 ASP A 54 -3.708 -10.995 5.165 1.00 1.46 O ATOM 291 OD2 ASP A 54 -5.254 -12.043 4.020 1.00 1.86 O ATOM 0 H ASP A 54 -2.962 -12.207 1.551 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.560 -11.373 3.874 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.492 -13.598 3.217 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -2.716 -13.525 4.786 1.00 0.50 H new ATOM 296 N GLU A 55 -0.717 -14.200 2.408 1.00 0.43 N ATOM 297 CA GLU A 55 0.327 -15.194 2.280 1.00 0.52 C ATOM 298 C GLU A 55 1.662 -14.540 1.951 1.00 0.52 C ATOM 299 O GLU A 55 2.705 -14.950 2.460 1.00 0.70 O ATOM 300 CB GLU A 55 -0.046 -16.207 1.209 1.00 0.57 C ATOM 301 CG GLU A 55 -1.167 -17.141 1.629 1.00 1.01 C ATOM 302 CD GLU A 55 -0.746 -18.115 2.715 1.00 1.39 C ATOM 303 OE1 GLU A 55 0.346 -17.928 3.285 1.00 1.90 O ATOM 304 OE2 GLU A 55 -1.505 -19.065 3.015 1.00 2.00 O ATOM 0 H GLU A 55 -1.483 -14.306 1.743 1.00 0.43 H new ATOM 0 HA GLU A 55 0.430 -15.710 3.234 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -0.344 -15.676 0.305 1.00 0.57 H new ATOM 0 HB3 GLU A 55 0.834 -16.798 0.956 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -2.012 -16.551 1.984 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -1.512 -17.700 0.760 1.00 1.01 H new ATOM 311 N ILE A 56 1.623 -13.517 1.105 1.00 0.40 N ATOM 312 CA ILE A 56 2.828 -12.768 0.764 1.00 0.42 C ATOM 313 C ILE A 56 3.319 -11.960 1.970 1.00 0.40 C ATOM 314 O ILE A 56 4.511 -11.910 2.252 1.00 0.52 O ATOM 315 CB ILE A 56 2.590 -11.824 -0.436 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.066 -12.624 -1.632 1.00 0.47 C ATOM 317 CG2 ILE A 56 3.874 -11.094 -0.806 1.00 0.53 C ATOM 318 CD1 ILE A 56 1.714 -11.777 -2.838 1.00 0.52 C ATOM 0 H ILE A 56 0.775 -13.188 0.644 1.00 0.40 H new ATOM 0 HA ILE A 56 3.592 -13.492 0.481 1.00 0.42 H new ATOM 0 HB ILE A 56 1.845 -11.080 -0.154 1.00 0.44 H new ATOM 0 HG12 ILE A 56 2.819 -13.356 -1.923 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.182 -13.182 -1.323 1.00 0.47 H new ATOM 0 HG21 ILE A 56 3.686 -10.434 -1.653 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.215 -10.504 0.045 1.00 0.53 H new ATOM 0 HG23 ILE A 56 4.641 -11.820 -1.075 1.00 0.53 H new ATOM 0 HD11 ILE A 56 1.351 -12.419 -3.640 1.00 0.52 H new ATOM 0 HD12 ILE A 56 0.937 -11.062 -2.566 1.00 0.52 H new ATOM 0 HD13 ILE A 56 2.600 -11.239 -3.176 1.00 0.52 H new ATOM 330 N PHE A 57 2.378 -11.363 2.693 1.00 0.31 N ATOM 331 CA PHE A 57 2.684 -10.554 3.875 1.00 0.31 C ATOM 332 C PHE A 57 3.493 -11.351 4.897 1.00 0.35 C ATOM 333 O PHE A 57 4.430 -10.830 5.505 1.00 0.40 O ATOM 334 CB PHE A 57 1.370 -10.055 4.496 1.00 0.29 C ATOM 335 CG PHE A 57 1.526 -9.262 5.764 1.00 0.31 C ATOM 336 CD1 PHE A 57 1.975 -7.954 5.724 1.00 0.32 C ATOM 337 CD2 PHE A 57 1.210 -9.822 6.991 1.00 0.40 C ATOM 338 CE1 PHE A 57 2.109 -7.218 6.887 1.00 0.36 C ATOM 339 CE2 PHE A 57 1.342 -9.093 8.155 1.00 0.43 C ATOM 340 CZ PHE A 57 1.793 -7.788 8.102 1.00 0.40 C ATOM 0 H PHE A 57 1.382 -11.424 2.480 1.00 0.31 H new ATOM 0 HA PHE A 57 3.292 -9.702 3.572 1.00 0.31 H new ATOM 0 HB2 PHE A 57 0.850 -9.439 3.762 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.732 -10.915 4.700 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.223 -7.503 4.775 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.856 -10.841 7.037 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.461 -6.198 6.844 1.00 0.36 H new ATOM 0 HE2 PHE A 57 1.093 -9.541 9.106 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.898 -7.215 9.011 1.00 0.40 H new ATOM 350 N TYR A 58 3.147 -12.623 5.067 1.00 0.35 N ATOM 351 CA TYR A 58 3.817 -13.465 6.052 1.00 0.41 C ATOM 352 C TYR A 58 5.205 -13.918 5.597 1.00 0.43 C ATOM 353 O TYR A 58 5.990 -14.394 6.415 1.00 0.46 O ATOM 354 CB TYR A 58 2.959 -14.679 6.406 1.00 0.50 C ATOM 355 CG TYR A 58 1.849 -14.366 7.385 1.00 0.91 C ATOM 356 CD1 TYR A 58 0.608 -13.922 6.946 1.00 1.23 C ATOM 357 CD2 TYR A 58 2.050 -14.508 8.753 1.00 1.50 C ATOM 358 CE1 TYR A 58 -0.402 -13.628 7.843 1.00 1.92 C ATOM 359 CE2 TYR A 58 1.044 -14.216 9.656 1.00 2.18 C ATOM 360 CZ TYR A 58 -0.179 -13.776 9.196 1.00 2.35 C ATOM 361 OH TYR A 58 -1.186 -13.481 10.088 1.00 3.08 O ATOM 0 H TYR A 58 2.411 -13.091 4.539 1.00 0.35 H new ATOM 0 HA TYR A 58 3.953 -12.849 6.941 1.00 0.41 H new ATOM 0 HB2 TYR A 58 2.524 -15.086 5.493 1.00 0.50 H new ATOM 0 HB3 TYR A 58 3.597 -15.455 6.828 1.00 0.50 H new ATOM 0 HD1 TYR A 58 0.429 -13.805 5.887 1.00 1.23 H new ATOM 0 HD2 TYR A 58 3.007 -14.852 9.117 1.00 1.50 H new ATOM 0 HE1 TYR A 58 -1.361 -13.284 7.486 1.00 1.92 H new ATOM 0 HE2 TYR A 58 1.216 -14.332 10.716 1.00 2.18 H new ATOM 0 HH TYR A 58 -0.870 -13.638 11.002 1.00 3.08 H new ATOM 371 N THR A 59 5.532 -13.756 4.314 1.00 0.44 N ATOM 372 CA THR A 59 6.837 -14.201 3.826 1.00 0.48 C ATOM 373 C THR A 59 7.945 -13.258 4.299 1.00 0.42 C ATOM 374 O THR A 59 9.122 -13.620 4.313 1.00 0.45 O ATOM 375 CB THR A 59 6.897 -14.349 2.285 1.00 0.59 C ATOM 376 OG1 THR A 59 6.730 -13.085 1.631 1.00 0.63 O ATOM 377 CG2 THR A 59 5.833 -15.323 1.793 1.00 0.75 C ATOM 0 H THR A 59 4.928 -13.331 3.610 1.00 0.44 H new ATOM 0 HA THR A 59 6.993 -15.193 4.249 1.00 0.48 H new ATOM 0 HB THR A 59 7.883 -14.740 2.036 1.00 0.59 H new ATOM 0 HG1 THR A 59 6.130 -12.520 2.160 1.00 0.63 H new ATOM 0 HG21 THR A 59 5.894 -15.411 0.708 1.00 0.75 H new ATOM 0 HG22 THR A 59 5.997 -16.301 2.246 1.00 0.75 H new ATOM 0 HG23 THR A 59 4.846 -14.955 2.072 1.00 0.75 H new ATOM 385 N LEU A 60 7.561 -12.050 4.706 1.00 0.37 N ATOM 386 CA LEU A 60 8.518 -11.099 5.264 1.00 0.38 C ATOM 387 C LEU A 60 8.681 -11.309 6.763 1.00 0.41 C ATOM 388 O LEU A 60 9.582 -10.735 7.376 1.00 0.56 O ATOM 389 CB LEU A 60 8.100 -9.651 4.996 1.00 0.40 C ATOM 390 CG LEU A 60 8.337 -9.133 3.569 1.00 0.52 C ATOM 391 CD1 LEU A 60 9.669 -9.633 3.026 1.00 1.26 C ATOM 392 CD2 LEU A 60 7.192 -9.508 2.640 1.00 1.25 C ATOM 0 H LEU A 60 6.601 -11.709 4.660 1.00 0.37 H new ATOM 0 HA LEU A 60 9.471 -11.281 4.768 1.00 0.38 H new ATOM 0 HB2 LEU A 60 7.039 -9.552 5.225 1.00 0.40 H new ATOM 0 HB3 LEU A 60 8.638 -9.005 5.690 1.00 0.40 H new ATOM 0 HG LEU A 60 8.375 -8.045 3.615 1.00 0.52 H new ATOM 0 HD11 LEU A 60 9.815 -9.254 2.015 1.00 1.26 H new ATOM 0 HD12 LEU A 60 10.478 -9.281 3.666 1.00 1.26 H new ATOM 0 HD13 LEU A 60 9.669 -10.723 3.008 1.00 1.26 H new ATOM 0 HD21 LEU A 60 7.395 -9.125 1.640 1.00 1.25 H new ATOM 0 HD22 LEU A 60 7.096 -10.593 2.600 1.00 1.25 H new ATOM 0 HD23 LEU A 60 6.264 -9.075 3.013 1.00 1.25 H new ATOM 404 N SER A 61 7.817 -12.150 7.328 1.00 0.36 N ATOM 405 CA SER A 61 7.783 -12.403 8.766 1.00 0.41 C ATOM 406 C SER A 61 7.312 -11.159 9.525 1.00 0.40 C ATOM 407 O SER A 61 8.100 -10.269 9.843 1.00 0.50 O ATOM 408 CB SER A 61 9.152 -12.877 9.282 1.00 0.55 C ATOM 409 OG SER A 61 9.106 -13.167 10.667 1.00 1.11 O ATOM 0 H SER A 61 7.120 -12.676 6.800 1.00 0.36 H new ATOM 0 HA SER A 61 7.066 -13.204 8.948 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.463 -13.765 8.732 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.901 -12.107 9.094 1.00 0.55 H new ATOM 0 HG SER A 61 9.989 -13.467 10.968 1.00 1.11 H new ATOM 415 N PRO A 62 6.004 -11.084 9.804 1.00 0.37 N ATOM 416 CA PRO A 62 5.396 -9.933 10.477 1.00 0.42 C ATOM 417 C PRO A 62 5.901 -9.742 11.905 1.00 0.47 C ATOM 418 O PRO A 62 5.990 -10.691 12.684 1.00 0.69 O ATOM 419 CB PRO A 62 3.893 -10.259 10.483 1.00 0.50 C ATOM 420 CG PRO A 62 3.723 -11.350 9.481 1.00 0.51 C ATOM 421 CD PRO A 62 5.011 -12.117 9.479 1.00 0.38 C ATOM 0 HA PRO A 62 5.643 -9.003 9.965 1.00 0.42 H new ATOM 0 HB2 PRO A 62 3.564 -10.578 11.472 1.00 0.50 H new ATOM 0 HB3 PRO A 62 3.300 -9.384 10.217 1.00 0.50 H new ATOM 0 HG2 PRO A 62 2.886 -11.995 9.746 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.511 -10.942 8.493 1.00 0.51 H new ATOM 0 HD2 PRO A 62 5.005 -12.919 10.217 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.207 -12.576 8.510 1.00 0.38 H new ATOM 429 N VAL A 63 6.222 -8.504 12.239 1.00 0.39 N ATOM 430 CA VAL A 63 6.672 -8.157 13.569 1.00 0.48 C ATOM 431 C VAL A 63 5.568 -7.379 14.276 1.00 0.42 C ATOM 432 O VAL A 63 5.096 -6.371 13.756 1.00 0.41 O ATOM 433 CB VAL A 63 7.966 -7.314 13.519 1.00 0.60 C ATOM 434 CG1 VAL A 63 8.509 -7.071 14.918 1.00 1.43 C ATOM 435 CG2 VAL A 63 9.013 -7.999 12.651 1.00 1.14 C ATOM 0 H VAL A 63 6.177 -7.715 11.594 1.00 0.39 H new ATOM 0 HA VAL A 63 6.894 -9.073 14.117 1.00 0.48 H new ATOM 0 HB VAL A 63 7.726 -6.347 13.076 1.00 0.60 H new ATOM 0 HG11 VAL A 63 9.420 -6.476 14.856 1.00 1.43 H new ATOM 0 HG12 VAL A 63 7.765 -6.537 15.509 1.00 1.43 H new ATOM 0 HG13 VAL A 63 8.732 -8.027 15.393 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.918 -7.392 12.626 1.00 1.14 H new ATOM 0 HG22 VAL A 63 9.245 -8.980 13.066 1.00 1.14 H new ATOM 0 HG23 VAL A 63 8.626 -8.116 11.639 1.00 1.14 H new ATOM 445 N ASN A 64 5.141 -7.878 15.441 1.00 0.47 N ATOM 446 CA ASN A 64 4.012 -7.310 16.205 1.00 0.50 C ATOM 447 C ASN A 64 2.802 -6.990 15.315 1.00 0.52 C ATOM 448 O ASN A 64 2.046 -6.055 15.577 1.00 0.68 O ATOM 449 CB ASN A 64 4.428 -6.081 17.051 1.00 0.57 C ATOM 450 CG ASN A 64 5.007 -4.917 16.262 1.00 1.25 C ATOM 451 OD1 ASN A 64 4.277 -4.082 15.728 1.00 2.15 O ATOM 452 ND2 ASN A 64 6.332 -4.824 16.226 1.00 1.72 N ATOM 0 H ASN A 64 5.567 -8.690 15.887 1.00 0.47 H new ATOM 0 HA ASN A 64 3.702 -8.090 16.901 1.00 0.50 H new ATOM 0 HB2 ASN A 64 3.556 -5.728 17.602 1.00 0.57 H new ATOM 0 HB3 ASN A 64 5.164 -6.400 17.789 1.00 0.57 H new ATOM 0 HD21 ASN A 64 6.775 -4.042 15.745 1.00 1.72 H new ATOM 0 HD22 ASN A 64 6.906 -5.535 16.680 1.00 1.72 H new ATOM 459 N GLY A 65 2.600 -7.807 14.282 1.00 0.46 N ATOM 460 CA GLY A 65 1.403 -7.702 13.467 1.00 0.55 C ATOM 461 C GLY A 65 1.567 -6.855 12.213 1.00 0.45 C ATOM 462 O GLY A 65 0.636 -6.759 11.413 1.00 0.62 O ATOM 0 H GLY A 65 3.247 -8.541 13.996 1.00 0.46 H new ATOM 0 HA2 GLY A 65 1.088 -8.704 13.175 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.601 -7.280 14.073 1.00 0.55 H new ATOM 466 N LYS A 66 2.734 -6.250 12.022 1.00 0.32 N ATOM 467 CA LYS A 66 2.992 -5.480 10.804 1.00 0.35 C ATOM 468 C LYS A 66 4.394 -5.755 10.281 1.00 0.27 C ATOM 469 O LYS A 66 5.198 -6.396 10.950 1.00 0.42 O ATOM 470 CB LYS A 66 2.818 -3.972 11.033 1.00 0.58 C ATOM 471 CG LYS A 66 1.398 -3.558 11.386 1.00 0.74 C ATOM 472 CD LYS A 66 1.202 -2.050 11.270 1.00 0.90 C ATOM 473 CE LYS A 66 2.086 -1.290 12.238 1.00 1.52 C ATOM 474 NZ LYS A 66 1.860 0.179 12.167 1.00 2.24 N ATOM 0 H LYS A 66 3.510 -6.275 12.684 1.00 0.32 H new ATOM 0 HA LYS A 66 2.258 -5.800 10.064 1.00 0.35 H new ATOM 0 HB2 LYS A 66 3.487 -3.657 11.834 1.00 0.58 H new ATOM 0 HB3 LYS A 66 3.127 -3.441 10.133 1.00 0.58 H new ATOM 0 HG2 LYS A 66 0.696 -4.068 10.726 1.00 0.74 H new ATOM 0 HG3 LYS A 66 1.168 -3.877 12.403 1.00 0.74 H new ATOM 0 HD2 LYS A 66 1.422 -1.732 10.251 1.00 0.90 H new ATOM 0 HD3 LYS A 66 0.158 -1.804 11.462 1.00 0.90 H new ATOM 0 HE2 LYS A 66 1.894 -1.637 13.253 1.00 1.52 H new ATOM 0 HE3 LYS A 66 3.132 -1.506 12.020 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 2.238 0.630 13.025 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 2.344 0.565 11.331 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 0.840 0.370 12.096 1.00 2.24 H new ATOM 488 N ILE A 67 4.684 -5.280 9.084 1.00 0.24 N ATOM 489 CA ILE A 67 6.025 -5.407 8.538 1.00 0.24 C ATOM 490 C ILE A 67 6.657 -4.034 8.375 1.00 0.28 C ATOM 491 O ILE A 67 5.949 -3.027 8.248 1.00 0.31 O ATOM 492 CB ILE A 67 6.059 -6.157 7.190 1.00 0.24 C ATOM 493 CG1 ILE A 67 5.182 -5.455 6.152 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.619 -7.601 7.384 1.00 0.26 C ATOM 495 CD1 ILE A 67 5.331 -6.027 4.763 1.00 0.28 C ATOM 0 H ILE A 67 4.017 -4.807 8.475 1.00 0.24 H new ATOM 0 HA ILE A 67 6.596 -6.001 9.251 1.00 0.24 H new ATOM 0 HB ILE A 67 7.083 -6.153 6.817 1.00 0.24 H new ATOM 0 HG12 ILE A 67 4.138 -5.528 6.458 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.434 -4.395 6.130 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.647 -8.121 6.427 1.00 0.26 H new ATOM 0 HG22 ILE A 67 6.291 -8.095 8.085 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.603 -7.622 7.779 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.682 -5.485 4.075 1.00 0.28 H new ATOM 0 HD12 ILE A 67 6.367 -5.929 4.438 1.00 0.28 H new ATOM 0 HD13 ILE A 67 5.051 -7.080 4.771 1.00 0.28 H new ATOM 507 N THR A 68 7.979 -3.994 8.384 1.00 0.33 N ATOM 508 CA THR A 68 8.704 -2.735 8.315 1.00 0.38 C ATOM 509 C THR A 68 8.927 -2.317 6.873 1.00 0.39 C ATOM 510 O THR A 68 8.730 -3.110 5.946 1.00 0.46 O ATOM 511 CB THR A 68 10.069 -2.838 9.027 1.00 0.44 C ATOM 512 OG1 THR A 68 10.868 -3.853 8.405 1.00 0.52 O ATOM 513 CG2 THR A 68 9.890 -3.165 10.501 1.00 0.42 C ATOM 0 H THR A 68 8.574 -4.821 8.439 1.00 0.33 H new ATOM 0 HA THR A 68 8.095 -1.985 8.819 1.00 0.38 H new ATOM 0 HB THR A 68 10.570 -1.874 8.943 1.00 0.44 H new ATOM 0 HG1 THR A 68 10.382 -4.704 8.415 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.867 -3.232 10.980 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.304 -2.380 10.979 1.00 0.42 H new ATOM 0 HG23 THR A 68 9.370 -4.118 10.602 1.00 0.42 H new ATOM 521 N GLY A 69 9.346 -1.073 6.687 1.00 0.38 N ATOM 522 CA GLY A 69 9.659 -0.590 5.365 1.00 0.38 C ATOM 523 C GLY A 69 10.789 -1.366 4.722 1.00 0.36 C ATOM 524 O GLY A 69 10.889 -1.415 3.505 1.00 0.37 O ATOM 0 H GLY A 69 9.474 -0.390 7.434 1.00 0.38 H new ATOM 0 HA2 GLY A 69 8.771 -0.658 4.736 1.00 0.38 H new ATOM 0 HA3 GLY A 69 9.931 0.464 5.421 1.00 0.38 H new ATOM 528 N ALA A 70 11.638 -1.977 5.542 1.00 0.36 N ATOM 529 CA ALA A 70 12.745 -2.778 5.035 1.00 0.37 C ATOM 530 C ALA A 70 12.233 -4.053 4.381 1.00 0.34 C ATOM 531 O ALA A 70 12.769 -4.512 3.369 1.00 0.33 O ATOM 532 CB ALA A 70 13.713 -3.109 6.160 1.00 0.40 C ATOM 0 H ALA A 70 11.580 -1.932 6.559 1.00 0.36 H new ATOM 0 HA ALA A 70 13.273 -2.197 4.279 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.535 -3.708 5.768 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.107 -2.186 6.585 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.192 -3.671 6.935 1.00 0.40 H new ATOM 538 N ASN A 71 11.177 -4.601 4.951 1.00 0.40 N ATOM 539 CA ASN A 71 10.605 -5.853 4.482 1.00 0.47 C ATOM 540 C ASN A 71 9.923 -5.657 3.138 1.00 0.36 C ATOM 541 O ASN A 71 10.164 -6.398 2.184 1.00 0.33 O ATOM 542 CB ASN A 71 9.607 -6.376 5.513 1.00 0.64 C ATOM 543 CG ASN A 71 10.239 -6.556 6.881 1.00 0.80 C ATOM 544 OD1 ASN A 71 9.592 -6.356 7.909 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.507 -6.939 6.908 1.00 0.58 N ATOM 0 H ASN A 71 10.691 -4.194 5.750 1.00 0.40 H new ATOM 0 HA ASN A 71 11.404 -6.583 4.354 1.00 0.47 H new ATOM 0 HB2 ASN A 71 8.769 -5.683 5.590 1.00 0.64 H new ATOM 0 HB3 ASN A 71 9.202 -7.329 5.173 1.00 0.64 H new ATOM 0 HD21 ASN A 71 11.979 -7.078 7.802 1.00 0.58 H new ATOM 0 HD22 ASN A 71 12.011 -7.095 6.035 1.00 0.58 H new ATOM 552 N ALA A 72 9.091 -4.638 3.050 1.00 0.35 N ATOM 553 CA ALA A 72 8.416 -4.346 1.801 1.00 0.30 C ATOM 554 C ALA A 72 9.393 -3.739 0.797 1.00 0.29 C ATOM 555 O ALA A 72 9.161 -3.782 -0.402 1.00 0.30 O ATOM 556 CB ALA A 72 7.220 -3.438 2.034 1.00 0.36 C ATOM 0 H ALA A 72 8.868 -4.005 3.818 1.00 0.35 H new ATOM 0 HA ALA A 72 8.041 -5.279 1.381 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.729 -3.232 1.083 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.517 -3.928 2.707 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.556 -2.501 2.479 1.00 0.36 H new ATOM 562 N LYS A 73 10.507 -3.201 1.294 1.00 0.28 N ATOM 563 CA LYS A 73 11.541 -2.668 0.409 1.00 0.31 C ATOM 564 C LYS A 73 12.182 -3.807 -0.369 1.00 0.31 C ATOM 565 O LYS A 73 12.283 -3.748 -1.590 1.00 0.34 O ATOM 566 CB LYS A 73 12.632 -1.890 1.170 1.00 0.35 C ATOM 567 CG LYS A 73 13.687 -1.277 0.252 1.00 0.39 C ATOM 568 CD LYS A 73 14.855 -0.676 1.028 1.00 0.53 C ATOM 569 CE LYS A 73 14.466 0.605 1.757 1.00 0.61 C ATOM 570 NZ LYS A 73 15.649 1.300 2.338 1.00 0.54 N ATOM 0 H LYS A 73 10.714 -3.123 2.290 1.00 0.28 H new ATOM 0 HA LYS A 73 11.055 -1.966 -0.269 1.00 0.31 H new ATOM 0 HB2 LYS A 73 12.163 -1.098 1.754 1.00 0.35 H new ATOM 0 HB3 LYS A 73 13.121 -2.560 1.877 1.00 0.35 H new ATOM 0 HG2 LYS A 73 14.062 -2.042 -0.428 1.00 0.39 H new ATOM 0 HG3 LYS A 73 13.225 -0.503 -0.362 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.222 -1.405 1.750 1.00 0.53 H new ATOM 0 HD3 LYS A 73 15.675 -0.466 0.341 1.00 0.53 H new ATOM 0 HE2 LYS A 73 13.956 1.275 1.065 1.00 0.61 H new ATOM 0 HE3 LYS A 73 13.758 0.369 2.552 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 15.339 2.165 2.824 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 16.122 0.671 3.018 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 16.313 1.549 1.578 1.00 0.54 H new ATOM 584 N LYS A 74 12.597 -4.851 0.349 1.00 0.32 N ATOM 585 CA LYS A 74 13.221 -6.007 -0.286 1.00 0.36 C ATOM 586 C LYS A 74 12.232 -6.723 -1.197 1.00 0.34 C ATOM 587 O LYS A 74 12.609 -7.213 -2.259 1.00 0.37 O ATOM 588 CB LYS A 74 13.793 -6.972 0.765 1.00 0.43 C ATOM 589 CG LYS A 74 12.756 -7.546 1.714 1.00 0.90 C ATOM 590 CD LYS A 74 13.380 -8.416 2.795 1.00 1.04 C ATOM 591 CE LYS A 74 13.973 -9.696 2.225 1.00 1.26 C ATOM 592 NZ LYS A 74 14.559 -10.559 3.285 1.00 2.24 N ATOM 0 H LYS A 74 12.512 -4.918 1.363 1.00 0.32 H new ATOM 0 HA LYS A 74 14.049 -5.648 -0.898 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.294 -7.793 0.253 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.552 -6.449 1.347 1.00 0.43 H new ATOM 0 HG2 LYS A 74 12.204 -6.731 2.181 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.035 -8.136 1.147 1.00 0.90 H new ATOM 0 HD2 LYS A 74 14.159 -7.853 3.309 1.00 1.04 H new ATOM 0 HD3 LYS A 74 12.624 -8.667 3.540 1.00 1.04 H new ATOM 0 HE2 LYS A 74 13.198 -10.249 1.694 1.00 1.26 H new ATOM 0 HE3 LYS A 74 14.743 -9.445 1.495 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 14.952 -11.420 2.854 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 15.316 -10.041 3.775 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 13.820 -10.820 3.968 1.00 2.24 H new ATOM 606 N GLU A 75 10.966 -6.757 -0.794 1.00 0.32 N ATOM 607 CA GLU A 75 9.927 -7.367 -1.617 1.00 0.33 C ATOM 608 C GLU A 75 9.769 -6.597 -2.927 1.00 0.31 C ATOM 609 O GLU A 75 9.848 -7.165 -4.019 1.00 0.37 O ATOM 610 CB GLU A 75 8.592 -7.387 -0.866 1.00 0.36 C ATOM 611 CG GLU A 75 7.495 -8.140 -1.602 1.00 0.40 C ATOM 612 CD GLU A 75 7.797 -9.626 -1.712 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.598 -10.011 -2.586 1.00 0.82 O ATOM 614 OE2 GLU A 75 7.220 -10.417 -0.932 1.00 0.76 O ATOM 0 H GLU A 75 10.636 -6.372 0.091 1.00 0.32 H new ATOM 0 HA GLU A 75 10.223 -8.392 -1.839 1.00 0.33 H new ATOM 0 HB2 GLU A 75 8.741 -7.843 0.113 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.265 -6.361 -0.694 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.548 -8.000 -1.081 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.375 -7.720 -2.601 1.00 0.40 H new ATOM 621 N MET A 76 9.596 -5.291 -2.802 1.00 0.28 N ATOM 622 CA MET A 76 9.320 -4.437 -3.948 1.00 0.31 C ATOM 623 C MET A 76 10.486 -4.387 -4.929 1.00 0.33 C ATOM 624 O MET A 76 10.279 -4.338 -6.141 1.00 0.38 O ATOM 625 CB MET A 76 8.967 -3.029 -3.481 1.00 0.40 C ATOM 626 CG MET A 76 7.475 -2.782 -3.314 1.00 0.65 C ATOM 627 SD MET A 76 6.698 -3.886 -2.119 1.00 1.04 S ATOM 628 CE MET A 76 5.046 -3.194 -2.045 1.00 0.63 C ATOM 0 H MET A 76 9.642 -4.795 -1.912 1.00 0.28 H new ATOM 0 HA MET A 76 8.471 -4.871 -4.477 1.00 0.31 H new ATOM 0 HB2 MET A 76 9.464 -2.839 -2.530 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.365 -2.310 -4.198 1.00 0.40 H new ATOM 0 HG2 MET A 76 7.318 -1.750 -3.000 1.00 0.65 H new ATOM 0 HG3 MET A 76 6.984 -2.900 -4.280 1.00 0.65 H new ATOM 0 HE1 MET A 76 4.882 -2.747 -1.065 1.00 0.63 H new ATOM 0 HE2 MET A 76 4.937 -2.430 -2.815 1.00 0.63 H new ATOM 0 HE3 MET A 76 4.313 -3.984 -2.210 1.00 0.63 H new ATOM 638 N VAL A 77 11.715 -4.406 -4.423 1.00 0.35 N ATOM 639 CA VAL A 77 12.874 -4.380 -5.306 1.00 0.44 C ATOM 640 C VAL A 77 13.074 -5.746 -5.960 1.00 0.49 C ATOM 641 O VAL A 77 13.619 -5.849 -7.058 1.00 0.62 O ATOM 642 CB VAL A 77 14.169 -3.938 -4.587 1.00 0.52 C ATOM 643 CG1 VAL A 77 14.022 -2.524 -4.046 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.547 -4.907 -3.474 1.00 1.02 C ATOM 0 H VAL A 77 11.932 -4.439 -3.427 1.00 0.35 H new ATOM 0 HA VAL A 77 12.667 -3.633 -6.073 1.00 0.44 H new ATOM 0 HB VAL A 77 14.977 -3.947 -5.318 1.00 0.52 H new ATOM 0 HG11 VAL A 77 14.943 -2.229 -3.543 1.00 0.78 H new ATOM 0 HG12 VAL A 77 13.823 -1.838 -4.870 1.00 0.78 H new ATOM 0 HG13 VAL A 77 13.195 -2.490 -3.337 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.462 -4.566 -2.990 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.742 -4.950 -2.740 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.708 -5.900 -3.895 1.00 1.02 H new ATOM 654 N LYS A 78 12.599 -6.793 -5.286 1.00 0.46 N ATOM 655 CA LYS A 78 12.640 -8.138 -5.838 1.00 0.58 C ATOM 656 C LYS A 78 11.424 -8.387 -6.722 1.00 0.53 C ATOM 657 O LYS A 78 11.279 -9.458 -7.308 1.00 0.62 O ATOM 658 CB LYS A 78 12.730 -9.182 -4.724 1.00 0.76 C ATOM 659 CG LYS A 78 14.091 -9.220 -4.054 1.00 0.97 C ATOM 660 CD LYS A 78 14.123 -10.199 -2.895 1.00 1.17 C ATOM 661 CE LYS A 78 15.524 -10.334 -2.320 1.00 2.01 C ATOM 662 NZ LYS A 78 16.087 -9.028 -1.888 1.00 3.04 N ATOM 0 H LYS A 78 12.182 -6.731 -4.357 1.00 0.46 H new ATOM 0 HA LYS A 78 13.535 -8.230 -6.454 1.00 0.58 H new ATOM 0 HB2 LYS A 78 11.968 -8.971 -3.974 1.00 0.76 H new ATOM 0 HB3 LYS A 78 12.507 -10.166 -5.137 1.00 0.76 H new ATOM 0 HG2 LYS A 78 14.849 -9.499 -4.786 1.00 0.97 H new ATOM 0 HG3 LYS A 78 14.347 -8.223 -3.695 1.00 0.97 H new ATOM 0 HD2 LYS A 78 13.439 -9.864 -2.115 1.00 1.17 H new ATOM 0 HD3 LYS A 78 13.771 -11.174 -3.231 1.00 1.17 H new ATOM 0 HE2 LYS A 78 15.501 -11.016 -1.470 1.00 2.01 H new ATOM 0 HE3 LYS A 78 16.180 -10.780 -3.068 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 16.768 -9.181 -1.117 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 16.569 -8.575 -2.691 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 15.318 -8.412 -1.554 1.00 3.04 H new ATOM 676 N SER A 79 10.549 -7.392 -6.807 1.00 0.47 N ATOM 677 CA SER A 79 9.449 -7.420 -7.758 1.00 0.49 C ATOM 678 C SER A 79 9.949 -7.025 -9.147 1.00 0.48 C ATOM 679 O SER A 79 9.216 -7.126 -10.135 1.00 0.57 O ATOM 680 CB SER A 79 8.331 -6.476 -7.313 1.00 0.48 C ATOM 681 OG SER A 79 7.879 -6.790 -6.007 1.00 0.86 O ATOM 0 H SER A 79 10.582 -6.554 -6.226 1.00 0.47 H new ATOM 0 HA SER A 79 9.050 -8.433 -7.799 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.690 -5.447 -7.338 1.00 0.48 H new ATOM 0 HB3 SER A 79 7.498 -6.540 -8.013 1.00 0.48 H new ATOM 0 HG SER A 79 8.641 -6.803 -5.391 1.00 0.86 H new ATOM 687 N LYS A 80 11.214 -6.581 -9.204 1.00 0.44 N ATOM 688 CA LYS A 80 11.872 -6.195 -10.454 1.00 0.47 C ATOM 689 C LYS A 80 11.287 -4.902 -11.022 1.00 0.46 C ATOM 690 O LYS A 80 11.334 -4.665 -12.228 1.00 0.58 O ATOM 691 CB LYS A 80 11.778 -7.326 -11.485 1.00 0.60 C ATOM 692 CG LYS A 80 12.854 -8.406 -11.354 1.00 0.64 C ATOM 693 CD LYS A 80 13.050 -8.877 -9.919 1.00 1.15 C ATOM 694 CE LYS A 80 13.982 -10.077 -9.841 1.00 1.42 C ATOM 695 NZ LYS A 80 13.302 -11.333 -10.257 1.00 2.05 N ATOM 0 H LYS A 80 11.808 -6.481 -8.381 1.00 0.44 H new ATOM 0 HA LYS A 80 12.923 -6.012 -10.230 1.00 0.47 H new ATOM 0 HB2 LYS A 80 10.799 -7.797 -11.399 1.00 0.60 H new ATOM 0 HB3 LYS A 80 11.837 -6.894 -12.484 1.00 0.60 H new ATOM 0 HG2 LYS A 80 12.584 -9.259 -11.977 1.00 0.64 H new ATOM 0 HG3 LYS A 80 13.799 -8.019 -11.736 1.00 0.64 H new ATOM 0 HD2 LYS A 80 13.457 -8.061 -9.321 1.00 1.15 H new ATOM 0 HD3 LYS A 80 12.084 -9.138 -9.487 1.00 1.15 H new ATOM 0 HE2 LYS A 80 14.850 -9.905 -10.478 1.00 1.42 H new ATOM 0 HE3 LYS A 80 14.352 -10.184 -8.821 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 13.965 -12.130 -10.174 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 12.479 -11.502 -9.644 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 12.987 -11.246 -11.244 1.00 2.05 H new ATOM 709 N LEU A 81 10.758 -4.060 -10.142 1.00 0.42 N ATOM 710 CA LEU A 81 10.198 -2.780 -10.551 1.00 0.43 C ATOM 711 C LEU A 81 11.082 -1.629 -10.058 1.00 0.43 C ATOM 712 O LEU A 81 11.865 -1.803 -9.125 1.00 0.44 O ATOM 713 CB LEU A 81 8.773 -2.635 -10.015 1.00 0.46 C ATOM 714 CG LEU A 81 7.752 -3.623 -10.585 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.400 -3.449 -9.907 1.00 1.34 C ATOM 716 CD2 LEU A 81 7.613 -3.441 -12.088 1.00 1.22 C ATOM 0 H LEU A 81 10.706 -4.242 -9.140 1.00 0.42 H new ATOM 0 HA LEU A 81 10.164 -2.742 -11.640 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.797 -2.749 -8.931 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.427 -1.622 -10.221 1.00 0.46 H new ATOM 0 HG LEU A 81 8.111 -4.633 -10.389 1.00 0.63 H new ATOM 0 HD11 LEU A 81 5.688 -4.160 -10.326 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.504 -3.628 -8.837 1.00 1.34 H new ATOM 0 HD13 LEU A 81 6.038 -2.434 -10.072 1.00 1.34 H new ATOM 0 HD21 LEU A 81 6.883 -4.152 -12.475 1.00 1.22 H new ATOM 0 HD22 LEU A 81 7.279 -2.426 -12.302 1.00 1.22 H new ATOM 0 HD23 LEU A 81 8.577 -3.615 -12.566 1.00 1.22 H new ATOM 728 N PRO A 82 10.993 -0.446 -10.697 1.00 0.45 N ATOM 729 CA PRO A 82 11.816 0.718 -10.333 1.00 0.49 C ATOM 730 C PRO A 82 11.371 1.392 -9.033 1.00 0.44 C ATOM 731 O PRO A 82 10.178 1.437 -8.724 1.00 0.39 O ATOM 732 CB PRO A 82 11.616 1.665 -11.518 1.00 0.54 C ATOM 733 CG PRO A 82 10.278 1.315 -12.061 1.00 0.62 C ATOM 734 CD PRO A 82 10.101 -0.155 -11.836 1.00 0.48 C ATOM 0 HA PRO A 82 12.853 0.435 -10.151 1.00 0.49 H new ATOM 0 HB2 PRO A 82 11.655 2.708 -11.202 1.00 0.54 H new ATOM 0 HB3 PRO A 82 12.395 1.530 -12.268 1.00 0.54 H new ATOM 0 HG2 PRO A 82 9.495 1.882 -11.558 1.00 0.62 H new ATOM 0 HG3 PRO A 82 10.215 1.556 -13.122 1.00 0.62 H new ATOM 0 HD2 PRO A 82 9.065 -0.403 -11.606 1.00 0.48 H new ATOM 0 HD3 PRO A 82 10.378 -0.731 -12.719 1.00 0.48 H new ATOM 742 N ASN A 83 12.340 1.944 -8.299 1.00 0.49 N ATOM 743 CA ASN A 83 12.083 2.615 -7.019 1.00 0.48 C ATOM 744 C ASN A 83 10.981 3.660 -7.133 1.00 0.41 C ATOM 745 O ASN A 83 10.170 3.811 -6.222 1.00 0.37 O ATOM 746 CB ASN A 83 13.350 3.296 -6.485 1.00 0.57 C ATOM 747 CG ASN A 83 14.336 2.333 -5.858 1.00 0.71 C ATOM 748 OD1 ASN A 83 14.469 1.183 -6.279 1.00 0.94 O ATOM 749 ND2 ASN A 83 15.038 2.802 -4.836 1.00 0.89 N ATOM 0 H ASN A 83 13.323 1.940 -8.573 1.00 0.49 H new ATOM 0 HA ASN A 83 11.762 1.837 -6.326 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.841 3.825 -7.302 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.066 4.045 -5.746 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.719 2.204 -4.368 1.00 0.89 H new ATOM 0 HD22 ASN A 83 14.898 3.761 -4.518 1.00 0.89 H new ATOM 756 N THR A 84 10.957 4.381 -8.245 1.00 0.44 N ATOM 757 CA THR A 84 9.938 5.398 -8.476 1.00 0.42 C ATOM 758 C THR A 84 8.529 4.799 -8.382 1.00 0.35 C ATOM 759 O THR A 84 7.634 5.367 -7.743 1.00 0.35 O ATOM 760 CB THR A 84 10.130 6.048 -9.856 1.00 0.48 C ATOM 761 OG1 THR A 84 11.474 6.534 -9.977 1.00 0.59 O ATOM 762 CG2 THR A 84 9.153 7.196 -10.069 1.00 0.46 C ATOM 0 H THR A 84 11.632 4.281 -9.003 1.00 0.44 H new ATOM 0 HA THR A 84 10.046 6.158 -7.702 1.00 0.42 H new ATOM 0 HB THR A 84 9.938 5.291 -10.616 1.00 0.48 H new ATOM 0 HG1 THR A 84 11.595 6.946 -10.858 1.00 0.59 H new ATOM 0 HG21 THR A 84 9.315 7.634 -11.054 1.00 0.46 H new ATOM 0 HG22 THR A 84 8.132 6.822 -10.002 1.00 0.46 H new ATOM 0 HG23 THR A 84 9.312 7.956 -9.304 1.00 0.46 H new ATOM 770 N VAL A 85 8.353 3.626 -8.978 1.00 0.34 N ATOM 771 CA VAL A 85 7.055 2.977 -9.017 1.00 0.31 C ATOM 772 C VAL A 85 6.739 2.412 -7.642 1.00 0.27 C ATOM 773 O VAL A 85 5.601 2.468 -7.175 1.00 0.29 O ATOM 774 CB VAL A 85 7.026 1.868 -10.100 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.770 1.017 -10.007 1.00 0.36 C ATOM 776 CG2 VAL A 85 7.130 2.489 -11.485 1.00 0.40 C ATOM 0 H VAL A 85 9.098 3.106 -9.442 1.00 0.34 H new ATOM 0 HA VAL A 85 6.292 3.709 -9.283 1.00 0.31 H new ATOM 0 HB VAL A 85 7.882 1.216 -9.926 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.790 0.253 -10.784 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.726 0.539 -9.028 1.00 0.36 H new ATOM 0 HG13 VAL A 85 4.892 1.648 -10.142 1.00 0.36 H new ATOM 0 HG21 VAL A 85 7.109 1.702 -12.239 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.291 3.167 -11.644 1.00 0.40 H new ATOM 0 HG23 VAL A 85 8.065 3.044 -11.566 1.00 0.40 H new ATOM 786 N LEU A 86 7.779 1.918 -6.985 1.00 0.25 N ATOM 787 CA LEU A 86 7.677 1.398 -5.628 1.00 0.24 C ATOM 788 C LEU A 86 7.255 2.499 -4.664 1.00 0.25 C ATOM 789 O LEU A 86 6.387 2.297 -3.817 1.00 0.27 O ATOM 790 CB LEU A 86 9.019 0.816 -5.185 1.00 0.26 C ATOM 791 CG LEU A 86 9.382 -0.570 -5.739 1.00 0.41 C ATOM 792 CD1 LEU A 86 8.935 -0.762 -7.175 1.00 1.25 C ATOM 793 CD2 LEU A 86 10.879 -0.805 -5.626 1.00 1.23 C ATOM 0 H LEU A 86 8.719 1.866 -7.378 1.00 0.25 H new ATOM 0 HA LEU A 86 6.922 0.612 -5.618 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.805 1.515 -5.472 1.00 0.26 H new ATOM 0 HB3 LEU A 86 9.024 0.760 -4.096 1.00 0.26 H new ATOM 0 HG LEU A 86 8.846 -1.302 -5.135 1.00 0.41 H new ATOM 0 HD11 LEU A 86 9.218 -1.759 -7.514 1.00 1.25 H new ATOM 0 HD12 LEU A 86 7.852 -0.651 -7.237 1.00 1.25 H new ATOM 0 HD13 LEU A 86 9.413 -0.014 -7.808 1.00 1.25 H new ATOM 0 HD21 LEU A 86 11.123 -1.791 -6.022 1.00 1.23 H new ATOM 0 HD22 LEU A 86 11.411 -0.043 -6.196 1.00 1.23 H new ATOM 0 HD23 LEU A 86 11.178 -0.750 -4.579 1.00 1.23 H new ATOM 805 N GLY A 87 7.886 3.661 -4.798 1.00 0.28 N ATOM 806 CA GLY A 87 7.533 4.801 -3.991 1.00 0.32 C ATOM 807 C GLY A 87 6.083 5.199 -4.162 1.00 0.31 C ATOM 808 O GLY A 87 5.424 5.577 -3.202 1.00 0.34 O ATOM 0 H GLY A 87 8.643 3.828 -5.461 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.724 4.574 -2.942 1.00 0.32 H new ATOM 0 HA3 GLY A 87 8.172 5.643 -4.256 1.00 0.32 H new ATOM 812 N LYS A 88 5.575 5.088 -5.380 1.00 0.29 N ATOM 813 CA LYS A 88 4.183 5.430 -5.648 1.00 0.32 C ATOM 814 C LYS A 88 3.257 4.380 -5.044 1.00 0.31 C ATOM 815 O LYS A 88 2.237 4.716 -4.446 1.00 0.33 O ATOM 816 CB LYS A 88 3.940 5.568 -7.150 1.00 0.37 C ATOM 817 CG LYS A 88 4.796 6.644 -7.790 1.00 1.10 C ATOM 818 CD LYS A 88 4.480 6.824 -9.263 1.00 1.05 C ATOM 819 CE LYS A 88 3.095 7.417 -9.471 1.00 0.68 C ATOM 820 NZ LYS A 88 2.874 7.832 -10.880 1.00 1.16 N ATOM 0 H LYS A 88 6.099 4.767 -6.194 1.00 0.29 H new ATOM 0 HA LYS A 88 3.966 6.391 -5.183 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.143 4.613 -7.635 1.00 0.37 H new ATOM 0 HB3 LYS A 88 2.888 5.796 -7.323 1.00 0.37 H new ATOM 0 HG2 LYS A 88 4.640 7.588 -7.268 1.00 1.10 H new ATOM 0 HG3 LYS A 88 5.849 6.386 -7.674 1.00 1.10 H new ATOM 0 HD2 LYS A 88 5.227 7.474 -9.719 1.00 1.05 H new ATOM 0 HD3 LYS A 88 4.544 5.861 -9.770 1.00 1.05 H new ATOM 0 HE2 LYS A 88 2.340 6.684 -9.186 1.00 0.68 H new ATOM 0 HE3 LYS A 88 2.967 8.278 -8.815 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 1.919 8.231 -10.979 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 3.578 8.550 -11.145 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 2.971 7.006 -11.504 1.00 1.16 H new ATOM 834 N ILE A 89 3.634 3.116 -5.197 1.00 0.28 N ATOM 835 CA ILE A 89 2.926 2.008 -4.560 1.00 0.30 C ATOM 836 C ILE A 89 2.801 2.258 -3.058 1.00 0.28 C ATOM 837 O ILE A 89 1.708 2.218 -2.499 1.00 0.30 O ATOM 838 CB ILE A 89 3.668 0.664 -4.777 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.741 0.297 -6.263 1.00 0.37 C ATOM 840 CG2 ILE A 89 3.001 -0.453 -3.986 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.404 -0.041 -6.882 1.00 0.89 C ATOM 0 H ILE A 89 4.434 2.830 -5.762 1.00 0.28 H new ATOM 0 HA ILE A 89 1.938 1.946 -5.016 1.00 0.30 H new ATOM 0 HB ILE A 89 4.688 0.789 -4.413 1.00 0.31 H new ATOM 0 HG12 ILE A 89 4.183 1.130 -6.811 1.00 0.37 H new ATOM 0 HG13 ILE A 89 4.411 -0.555 -6.383 1.00 0.37 H new ATOM 0 HG21 ILE A 89 3.537 -1.387 -4.152 1.00 0.34 H new ATOM 0 HG22 ILE A 89 3.020 -0.208 -2.924 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.968 -0.564 -4.314 1.00 0.34 H new ATOM 0 HD11 ILE A 89 2.543 -0.289 -7.934 1.00 0.89 H new ATOM 0 HD12 ILE A 89 1.968 -0.894 -6.362 1.00 0.89 H new ATOM 0 HD13 ILE A 89 1.736 0.816 -6.796 1.00 0.89 H new ATOM 853 N TRP A 90 3.933 2.538 -2.423 1.00 0.25 N ATOM 854 CA TRP A 90 3.971 2.778 -0.984 1.00 0.25 C ATOM 855 C TRP A 90 3.181 4.032 -0.613 1.00 0.28 C ATOM 856 O TRP A 90 2.428 4.034 0.353 1.00 0.33 O ATOM 857 CB TRP A 90 5.418 2.916 -0.496 1.00 0.22 C ATOM 858 CG TRP A 90 5.538 3.063 0.992 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.340 4.200 1.724 1.00 0.25 C ATOM 860 CD2 TRP A 90 5.880 2.040 1.931 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.535 3.942 3.056 1.00 0.27 N ATOM 862 CE2 TRP A 90 5.869 2.627 3.210 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.194 0.685 1.820 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.161 1.908 4.363 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.485 -0.028 2.965 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.466 0.582 4.222 1.00 0.35 C ATOM 0 H TRP A 90 4.841 2.605 -2.884 1.00 0.25 H new ATOM 0 HA TRP A 90 3.510 1.920 -0.495 1.00 0.25 H new ATOM 0 HB2 TRP A 90 5.985 2.041 -0.813 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.874 3.782 -0.976 1.00 0.22 H new ATOM 0 HD1 TRP A 90 5.069 5.161 1.313 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.445 4.623 3.810 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.209 0.202 0.854 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.148 2.379 5.335 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 6.732 -1.077 2.888 1.00 0.35 H new ATOM 0 HH2 TRP A 90 6.697 -0.005 5.099 1.00 0.35 H new ATOM 877 N LYS A 91 3.347 5.089 -1.400 1.00 0.30 N ATOM 878 CA LYS A 91 2.721 6.377 -1.106 1.00 0.37 C ATOM 879 C LYS A 91 1.194 6.278 -1.156 1.00 0.37 C ATOM 880 O LYS A 91 0.486 7.061 -0.525 1.00 0.43 O ATOM 881 CB LYS A 91 3.235 7.436 -2.084 1.00 0.45 C ATOM 882 CG LYS A 91 2.722 8.838 -1.807 1.00 0.62 C ATOM 883 CD LYS A 91 3.530 9.890 -2.555 1.00 1.19 C ATOM 884 CE LYS A 91 4.958 9.969 -2.031 1.00 1.38 C ATOM 885 NZ LYS A 91 5.775 10.991 -2.744 1.00 1.16 N ATOM 0 H LYS A 91 3.911 5.081 -2.250 1.00 0.30 H new ATOM 0 HA LYS A 91 2.992 6.672 -0.092 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.324 7.447 -2.052 1.00 0.45 H new ATOM 0 HB3 LYS A 91 2.949 7.150 -3.096 1.00 0.45 H new ATOM 0 HG2 LYS A 91 1.674 8.907 -2.100 1.00 0.62 H new ATOM 0 HG3 LYS A 91 2.767 9.037 -0.736 1.00 0.62 H new ATOM 0 HD2 LYS A 91 3.544 9.652 -3.619 1.00 1.19 H new ATOM 0 HD3 LYS A 91 3.048 10.862 -2.452 1.00 1.19 H new ATOM 0 HE2 LYS A 91 4.938 10.203 -0.967 1.00 1.38 H new ATOM 0 HE3 LYS A 91 5.433 8.993 -2.134 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 6.577 11.274 -2.145 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 6.132 10.590 -3.635 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 5.187 11.823 -2.950 1.00 1.16 H new ATOM 899 N LEU A 92 0.698 5.313 -1.909 1.00 0.34 N ATOM 900 CA LEU A 92 -0.736 5.052 -1.967 1.00 0.37 C ATOM 901 C LEU A 92 -1.159 4.053 -0.890 1.00 0.35 C ATOM 902 O LEU A 92 -2.279 4.111 -0.385 1.00 0.37 O ATOM 903 CB LEU A 92 -1.133 4.522 -3.344 1.00 0.43 C ATOM 904 CG LEU A 92 -1.550 5.581 -4.372 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.699 6.415 -3.832 1.00 1.53 C ATOM 906 CD2 LEU A 92 -0.376 6.473 -4.747 1.00 1.21 C ATOM 0 H LEU A 92 1.264 4.695 -2.490 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.249 5.996 -1.787 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.294 3.958 -3.751 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -1.958 3.820 -3.218 1.00 0.43 H new ATOM 0 HG LEU A 92 -1.882 5.066 -5.274 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -2.985 7.163 -4.572 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -3.551 5.768 -3.622 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -2.387 6.913 -2.914 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -0.701 7.214 -5.477 1.00 1.21 H new ATOM 0 HD22 LEU A 92 -0.005 6.980 -3.856 1.00 1.21 H new ATOM 0 HD23 LEU A 92 0.420 5.865 -5.177 1.00 1.21 H new ATOM 918 N ALA A 93 -0.258 3.140 -0.546 1.00 0.35 N ATOM 919 CA ALA A 93 -0.564 2.074 0.405 1.00 0.39 C ATOM 920 C ALA A 93 -0.449 2.551 1.851 1.00 0.35 C ATOM 921 O ALA A 93 -1.239 2.148 2.709 1.00 0.40 O ATOM 922 CB ALA A 93 0.347 0.878 0.166 1.00 0.43 C ATOM 0 H ALA A 93 0.694 3.115 -0.912 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.599 1.774 0.242 1.00 0.39 H new ATOM 0 HB1 ALA A 93 0.109 0.091 0.881 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.199 0.505 -0.847 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.386 1.181 0.293 1.00 0.43 H new ATOM 928 N ASP A 94 0.517 3.418 2.119 1.00 0.30 N ATOM 929 CA ASP A 94 0.757 3.886 3.484 1.00 0.32 C ATOM 930 C ASP A 94 -0.164 5.060 3.801 1.00 0.35 C ATOM 931 O ASP A 94 0.276 6.152 4.154 1.00 0.46 O ATOM 932 CB ASP A 94 2.225 4.275 3.690 1.00 0.35 C ATOM 933 CG ASP A 94 2.567 4.468 5.158 1.00 0.42 C ATOM 934 OD1 ASP A 94 2.093 3.664 5.992 1.00 0.59 O ATOM 935 OD2 ASP A 94 3.319 5.403 5.491 1.00 0.56 O ATOM 0 H ASP A 94 1.145 3.811 1.418 1.00 0.30 H new ATOM 0 HA ASP A 94 0.536 3.069 4.171 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.867 3.502 3.268 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.435 5.196 3.146 1.00 0.35 H new ATOM 940 N VAL A 95 -1.454 4.807 3.663 1.00 0.42 N ATOM 941 CA VAL A 95 -2.485 5.815 3.863 1.00 0.51 C ATOM 942 C VAL A 95 -2.585 6.230 5.331 1.00 0.59 C ATOM 943 O VAL A 95 -3.161 7.264 5.666 1.00 0.74 O ATOM 944 CB VAL A 95 -3.837 5.273 3.369 1.00 0.60 C ATOM 945 CG1 VAL A 95 -4.253 4.061 4.183 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.917 6.346 3.380 1.00 1.49 C ATOM 0 H VAL A 95 -1.820 3.890 3.407 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.214 6.701 3.288 1.00 0.51 H new ATOM 0 HB VAL A 95 -3.712 4.963 2.332 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -5.212 3.691 3.820 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -3.500 3.279 4.082 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -4.346 4.342 5.232 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.856 5.921 3.024 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -5.049 6.718 4.396 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -4.620 7.168 2.728 1.00 1.49 H new ATOM 956 N ASP A 96 -2.007 5.424 6.204 1.00 0.59 N ATOM 957 CA ASP A 96 -2.029 5.719 7.631 1.00 0.69 C ATOM 958 C ASP A 96 -0.819 6.568 8.030 1.00 0.53 C ATOM 959 O ASP A 96 -0.839 7.241 9.059 1.00 0.57 O ATOM 960 CB ASP A 96 -2.095 4.429 8.459 1.00 0.88 C ATOM 961 CG ASP A 96 -0.754 3.742 8.631 1.00 0.93 C ATOM 962 OD1 ASP A 96 -0.061 3.540 7.617 1.00 1.02 O ATOM 963 OD2 ASP A 96 -0.380 3.405 9.776 1.00 1.45 O ATOM 0 H ASP A 96 -1.518 4.564 5.955 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.929 6.296 7.842 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -2.503 4.661 9.443 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -2.789 3.737 7.981 1.00 0.88 H new ATOM 968 N LYS A 97 0.205 6.571 7.172 1.00 0.43 N ATOM 969 CA LYS A 97 1.435 7.344 7.392 1.00 0.47 C ATOM 970 C LYS A 97 2.152 6.906 8.666 1.00 0.49 C ATOM 971 O LYS A 97 2.121 7.605 9.681 1.00 0.66 O ATOM 972 CB LYS A 97 1.182 8.860 7.443 1.00 0.63 C ATOM 973 CG LYS A 97 0.732 9.480 6.126 1.00 0.67 C ATOM 974 CD LYS A 97 -0.741 9.221 5.830 1.00 1.18 C ATOM 975 CE LYS A 97 -1.671 10.137 6.625 1.00 1.77 C ATOM 976 NZ LYS A 97 -1.541 9.957 8.098 1.00 2.67 N ATOM 0 H LYS A 97 0.206 6.037 6.303 1.00 0.43 H new ATOM 0 HA LYS A 97 2.072 7.137 6.532 1.00 0.47 H new ATOM 0 HB2 LYS A 97 0.425 9.062 8.200 1.00 0.63 H new ATOM 0 HB3 LYS A 97 2.097 9.356 7.767 1.00 0.63 H new ATOM 0 HG2 LYS A 97 0.909 10.555 6.155 1.00 0.67 H new ATOM 0 HG3 LYS A 97 1.338 9.079 5.314 1.00 0.67 H new ATOM 0 HD2 LYS A 97 -0.924 9.361 4.765 1.00 1.18 H new ATOM 0 HD3 LYS A 97 -0.977 8.182 6.060 1.00 1.18 H new ATOM 0 HE2 LYS A 97 -1.456 11.175 6.370 1.00 1.77 H new ATOM 0 HE3 LYS A 97 -2.702 9.944 6.330 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 -2.376 10.356 8.572 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 -1.469 8.943 8.319 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 -0.686 10.446 8.433 1.00 2.67 H new ATOM 990 N ASP A 98 2.777 5.740 8.620 1.00 0.46 N ATOM 991 CA ASP A 98 3.507 5.225 9.776 1.00 0.51 C ATOM 992 C ASP A 98 4.892 4.711 9.388 1.00 0.43 C ATOM 993 O ASP A 98 5.768 4.578 10.244 1.00 0.49 O ATOM 994 CB ASP A 98 2.719 4.112 10.479 1.00 0.65 C ATOM 995 CG ASP A 98 2.613 2.841 9.659 1.00 0.56 C ATOM 996 OD1 ASP A 98 2.480 2.932 8.431 1.00 0.70 O ATOM 997 OD2 ASP A 98 2.661 1.739 10.241 1.00 1.13 O ATOM 0 H ASP A 98 2.796 5.132 7.801 1.00 0.46 H new ATOM 0 HA ASP A 98 3.632 6.059 10.466 1.00 0.51 H new ATOM 0 HB2 ASP A 98 3.198 3.883 11.431 1.00 0.65 H new ATOM 0 HB3 ASP A 98 1.716 4.474 10.706 1.00 0.65 H new ATOM 1002 N GLY A 99 5.096 4.433 8.105 1.00 0.40 N ATOM 1003 CA GLY A 99 6.369 3.888 7.663 1.00 0.43 C ATOM 1004 C GLY A 99 6.384 2.373 7.702 1.00 0.35 C ATOM 1005 O GLY A 99 7.410 1.742 7.441 1.00 0.40 O ATOM 0 H GLY A 99 4.408 4.574 7.366 1.00 0.40 H new ATOM 0 HA2 GLY A 99 6.575 4.226 6.647 1.00 0.43 H new ATOM 0 HA3 GLY A 99 7.168 4.275 8.296 1.00 0.43 H new ATOM 1009 N LEU A 100 5.239 1.796 8.032 1.00 0.33 N ATOM 1010 CA LEU A 100 5.087 0.351 8.104 1.00 0.30 C ATOM 1011 C LEU A 100 3.851 -0.066 7.320 1.00 0.31 C ATOM 1012 O LEU A 100 3.065 0.786 6.892 1.00 0.40 O ATOM 1013 CB LEU A 100 4.937 -0.111 9.556 1.00 0.30 C ATOM 1014 CG LEU A 100 5.997 0.407 10.537 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.660 -0.021 11.955 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.381 -0.097 10.153 1.00 0.39 C ATOM 0 H LEU A 100 4.390 2.315 8.257 1.00 0.33 H new ATOM 0 HA LEU A 100 5.978 -0.111 7.679 1.00 0.30 H new ATOM 0 HB2 LEU A 100 3.955 0.198 9.916 1.00 0.30 H new ATOM 0 HB3 LEU A 100 4.955 -1.201 9.574 1.00 0.30 H new ATOM 0 HG LEU A 100 6.001 1.496 10.489 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.421 0.354 12.639 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.688 0.384 12.236 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.628 -1.109 12.009 1.00 0.45 H new ATOM 0 HD21 LEU A 100 8.116 0.283 10.862 1.00 0.39 H new ATOM 0 HD22 LEU A 100 7.389 -1.187 10.170 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.630 0.252 9.151 1.00 0.39 H new ATOM 1028 N LEU A 101 3.673 -1.367 7.147 1.00 0.30 N ATOM 1029 CA LEU A 101 2.507 -1.880 6.449 1.00 0.33 C ATOM 1030 C LEU A 101 1.793 -2.923 7.291 1.00 0.29 C ATOM 1031 O LEU A 101 2.378 -3.953 7.646 1.00 0.27 O ATOM 1032 CB LEU A 101 2.897 -2.509 5.104 1.00 0.43 C ATOM 1033 CG LEU A 101 3.566 -1.578 4.090 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.835 -2.324 2.792 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.707 -0.353 3.822 1.00 0.43 C ATOM 0 H LEU A 101 4.319 -2.083 7.479 1.00 0.30 H new ATOM 0 HA LEU A 101 1.841 -1.036 6.269 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.571 -3.344 5.299 1.00 0.43 H new ATOM 0 HB3 LEU A 101 1.999 -2.924 4.647 1.00 0.43 H new ATOM 0 HG LEU A 101 4.513 -1.242 4.511 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.311 -1.652 2.078 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.493 -3.170 2.988 1.00 0.71 H new ATOM 0 HD13 LEU A 101 2.894 -2.685 2.378 1.00 0.71 H new ATOM 0 HD21 LEU A 101 3.207 0.291 3.098 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.742 -0.666 3.424 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.556 0.196 4.752 1.00 0.43 H new ATOM 1047 N ASP A 102 0.546 -2.646 7.638 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.322 -3.671 8.202 1.00 0.35 C ATOM 1049 C ASP A 102 -0.936 -4.480 7.061 1.00 0.31 C ATOM 1050 O ASP A 102 -0.605 -4.250 5.894 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.406 -3.068 9.114 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.437 -2.237 8.381 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -3.271 -2.815 7.654 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -2.396 -1.005 8.505 1.00 1.42 O ATOM 0 H ASP A 102 0.113 -1.727 7.541 1.00 0.33 H new ATOM 0 HA ASP A 102 0.273 -4.331 8.834 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -1.914 -3.876 9.640 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -0.926 -2.447 9.870 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.819 -5.423 7.376 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.336 -6.329 6.354 1.00 0.37 C ATOM 1061 C ASP A 103 -3.184 -5.588 5.312 1.00 0.34 C ATOM 1062 O ASP A 103 -3.230 -5.997 4.145 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.135 -7.487 6.973 1.00 0.49 C ATOM 1064 CG ASP A 103 -4.525 -7.099 7.437 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -5.452 -7.091 6.600 1.00 0.92 O ATOM 1066 OD2 ASP A 103 -4.682 -6.764 8.631 1.00 1.73 O ATOM 0 H ASP A 103 -2.187 -5.579 8.314 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.470 -6.751 5.844 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -3.219 -8.290 6.240 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -2.578 -7.886 7.821 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.832 -4.495 5.721 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.618 -3.674 4.801 1.00 0.37 C ATOM 1073 C GLU A 104 -3.683 -2.958 3.843 1.00 0.29 C ATOM 1074 O GLU A 104 -3.862 -3.005 2.624 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.457 -2.628 5.549 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.484 -3.200 6.514 1.00 0.89 C ATOM 1077 CD GLU A 104 -7.251 -2.112 7.252 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -6.733 -1.593 8.269 1.00 1.50 O ATOM 1079 OE2 GLU A 104 -8.367 -1.754 6.820 1.00 1.53 O ATOM 0 H GLU A 104 -3.827 -4.159 6.684 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.295 -4.334 4.259 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -4.785 -1.973 6.103 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -5.974 -2.008 4.817 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -7.186 -3.827 5.965 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -5.982 -3.842 7.238 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.672 -2.311 4.412 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.705 -1.545 3.636 1.00 0.26 C ATOM 1088 C GLU A 105 -0.975 -2.426 2.631 1.00 0.22 C ATOM 1089 O GLU A 105 -0.925 -2.124 1.438 1.00 0.22 O ATOM 1090 CB GLU A 105 -0.672 -0.897 4.553 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.257 -0.023 5.646 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.178 0.617 6.491 1.00 0.69 C ATOM 1093 OE1 GLU A 105 0.460 1.575 6.022 1.00 0.82 O ATOM 1094 OE2 GLU A 105 0.047 0.177 7.630 1.00 0.76 O ATOM 0 H GLU A 105 -2.501 -2.303 5.417 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.262 -0.777 3.100 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.073 -1.682 5.015 1.00 0.36 H new ATOM 0 HB3 GLU A 105 0.005 -0.294 3.947 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -1.876 0.754 5.198 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -1.908 -0.623 6.281 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.408 -3.518 3.122 1.00 0.24 N ATOM 1102 CA PHE A 106 0.385 -4.407 2.289 1.00 0.26 C ATOM 1103 C PHE A 106 -0.472 -5.023 1.191 1.00 0.29 C ATOM 1104 O PHE A 106 -0.007 -5.229 0.068 1.00 0.31 O ATOM 1105 CB PHE A 106 1.018 -5.503 3.142 1.00 0.28 C ATOM 1106 CG PHE A 106 1.969 -6.383 2.383 1.00 0.26 C ATOM 1107 CD1 PHE A 106 3.230 -5.924 2.043 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.607 -7.669 2.012 1.00 0.35 C ATOM 1109 CE1 PHE A 106 4.107 -6.726 1.344 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.484 -8.475 1.311 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.724 -8.016 0.979 1.00 0.28 C ATOM 0 H PHE A 106 -0.483 -3.810 4.097 1.00 0.24 H new ATOM 0 HA PHE A 106 1.177 -3.823 1.820 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.549 -5.042 3.975 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.228 -6.120 3.570 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.530 -4.927 2.328 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.629 -8.045 2.274 1.00 0.35 H new ATOM 0 HE1 PHE A 106 5.087 -6.356 1.080 1.00 0.26 H new ATOM 0 HE2 PHE A 106 2.186 -9.473 1.025 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.408 -8.650 0.435 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.727 -5.311 1.517 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.650 -5.850 0.531 1.00 0.41 C ATOM 1123 C ALA A 107 -2.931 -4.826 -0.558 1.00 0.38 C ATOM 1124 O ALA A 107 -2.866 -5.139 -1.745 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.948 -6.292 1.191 1.00 0.50 C ATOM 0 H ALA A 107 -2.124 -5.181 2.448 1.00 0.35 H new ATOM 0 HA ALA A 107 -2.184 -6.722 0.073 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.623 -6.692 0.434 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.735 -7.063 1.931 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.416 -5.438 1.681 1.00 0.50 H new ATOM 1131 N LEU A 108 -3.223 -3.600 -0.151 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.529 -2.536 -1.091 1.00 0.34 C ATOM 1133 C LEU A 108 -2.318 -2.259 -1.977 1.00 0.27 C ATOM 1134 O LEU A 108 -2.459 -2.021 -3.179 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.963 -1.290 -0.321 1.00 0.40 C ATOM 1136 CG LEU A 108 -4.925 -0.365 -1.064 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.823 0.365 -0.077 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -4.155 0.629 -1.916 1.00 1.32 C ATOM 0 H LEU A 108 -3.254 -3.318 0.829 1.00 0.34 H new ATOM 0 HA LEU A 108 -4.350 -2.838 -1.741 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -4.434 -1.604 0.610 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -3.073 -0.721 -0.052 1.00 0.40 H new ATOM 0 HG LEU A 108 -5.550 -0.970 -1.721 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.503 1.021 -0.620 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -6.399 -0.361 0.496 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.211 0.959 0.601 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -4.856 1.280 -2.438 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -3.508 1.230 -1.278 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -3.548 0.091 -2.644 1.00 1.32 H new ATOM 1150 N ALA A 109 -1.132 -2.331 -1.378 1.00 0.23 N ATOM 1151 CA ALA A 109 0.118 -2.223 -2.119 1.00 0.24 C ATOM 1152 C ALA A 109 0.172 -3.267 -3.224 1.00 0.26 C ATOM 1153 O ALA A 109 0.430 -2.947 -4.383 1.00 0.26 O ATOM 1154 CB ALA A 109 1.309 -2.398 -1.180 1.00 0.26 C ATOM 0 H ALA A 109 -1.012 -2.465 -0.374 1.00 0.23 H new ATOM 0 HA ALA A 109 0.166 -1.231 -2.569 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.236 -2.315 -1.748 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.284 -1.625 -0.412 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.259 -3.379 -0.708 1.00 0.26 H new ATOM 1160 N ASN A 110 -0.113 -4.514 -2.858 1.00 0.31 N ATOM 1161 CA ASN A 110 -0.033 -5.622 -3.802 1.00 0.37 C ATOM 1162 C ASN A 110 -1.123 -5.543 -4.862 1.00 0.35 C ATOM 1163 O ASN A 110 -0.934 -6.016 -5.981 1.00 0.38 O ATOM 1164 CB ASN A 110 -0.097 -6.960 -3.072 1.00 0.45 C ATOM 1165 CG ASN A 110 1.266 -7.412 -2.586 1.00 0.52 C ATOM 1166 OD1 ASN A 110 1.967 -8.147 -3.275 1.00 1.36 O ATOM 1167 ND2 ASN A 110 1.656 -6.973 -1.399 1.00 0.83 N ATOM 0 H ASN A 110 -0.401 -4.781 -1.916 1.00 0.31 H new ATOM 0 HA ASN A 110 0.928 -5.545 -4.310 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.775 -6.877 -2.222 1.00 0.45 H new ATOM 0 HB3 ASN A 110 -0.513 -7.716 -3.738 1.00 0.45 H new ATOM 0 HD21 ASN A 110 2.567 -7.245 -1.029 1.00 0.83 H new ATOM 0 HD22 ASN A 110 1.046 -6.363 -0.855 1.00 0.83 H new ATOM 1174 N HIS A 111 -2.261 -4.944 -4.525 1.00 0.35 N ATOM 1175 CA HIS A 111 -3.309 -4.742 -5.516 1.00 0.37 C ATOM 1176 C HIS A 111 -2.842 -3.747 -6.570 1.00 0.31 C ATOM 1177 O HIS A 111 -3.067 -3.947 -7.761 1.00 0.36 O ATOM 1178 CB HIS A 111 -4.620 -4.265 -4.887 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.726 -4.137 -5.893 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -6.395 -5.222 -6.420 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -6.236 -3.046 -6.513 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -7.258 -4.801 -7.326 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -7.184 -3.487 -7.400 1.00 0.66 N ATOM 0 H HIS A 111 -2.478 -4.596 -3.591 1.00 0.35 H new ATOM 0 HA HIS A 111 -3.507 -5.707 -5.982 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.921 -4.965 -4.108 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -4.458 -3.301 -4.405 1.00 0.48 H new ATOM 0 HD1 HIS A 111 -6.247 -6.195 -6.152 1.00 0.60 H new ATOM 0 HD2 HIS A 111 -5.949 -2.019 -6.341 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.915 -5.429 -7.909 1.00 0.67 H new ATOM 1192 N LEU A 112 -2.181 -2.685 -6.126 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.636 -1.690 -7.041 1.00 0.24 C ATOM 1194 C LEU A 112 -0.548 -2.314 -7.906 1.00 0.25 C ATOM 1195 O LEU A 112 -0.439 -2.021 -9.098 1.00 0.29 O ATOM 1196 CB LEU A 112 -1.070 -0.509 -6.257 1.00 0.25 C ATOM 1197 CG LEU A 112 -2.096 0.277 -5.440 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.398 1.280 -4.535 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.073 0.990 -6.361 1.00 0.57 C ATOM 0 H LEU A 112 -2.010 -2.491 -5.139 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.437 -1.331 -7.687 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.297 -0.877 -5.583 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.586 0.173 -6.956 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.652 -0.424 -4.818 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.142 1.831 -3.960 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.731 0.752 -3.853 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -0.819 1.977 -5.142 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.797 1.545 -5.764 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.528 1.680 -7.005 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.595 0.257 -6.975 1.00 0.57 H new ATOM 1211 N ILE A 113 0.248 -3.183 -7.293 1.00 0.27 N ATOM 1212 CA ILE A 113 1.279 -3.924 -8.005 1.00 0.34 C ATOM 1213 C ILE A 113 0.652 -4.839 -9.054 1.00 0.37 C ATOM 1214 O ILE A 113 1.158 -4.946 -10.166 1.00 0.43 O ATOM 1215 CB ILE A 113 2.148 -4.752 -7.034 1.00 0.38 C ATOM 1216 CG1 ILE A 113 2.858 -3.811 -6.054 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.160 -5.606 -7.794 1.00 0.46 C ATOM 1218 CD1 ILE A 113 3.712 -4.518 -5.024 1.00 0.38 C ATOM 0 H ILE A 113 0.197 -3.392 -6.296 1.00 0.27 H new ATOM 0 HA ILE A 113 1.922 -3.199 -8.504 1.00 0.34 H new ATOM 0 HB ILE A 113 1.502 -5.429 -6.475 1.00 0.38 H new ATOM 0 HG12 ILE A 113 3.486 -3.122 -6.619 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.109 -3.210 -5.538 1.00 0.35 H new ATOM 0 HG21 ILE A 113 3.758 -6.178 -7.085 1.00 0.46 H new ATOM 0 HG22 ILE A 113 2.632 -6.290 -8.459 1.00 0.46 H new ATOM 0 HG23 ILE A 113 3.813 -4.960 -8.381 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.179 -3.781 -4.370 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.088 -5.186 -4.430 1.00 0.38 H new ATOM 0 HD13 ILE A 113 4.486 -5.097 -5.528 1.00 0.38 H new ATOM 1230 N LYS A 114 -0.455 -5.485 -8.692 1.00 0.36 N ATOM 1231 CA LYS A 114 -1.223 -6.285 -9.646 1.00 0.42 C ATOM 1232 C LYS A 114 -1.604 -5.448 -10.864 1.00 0.36 C ATOM 1233 O LYS A 114 -1.384 -5.856 -12.003 1.00 0.39 O ATOM 1234 CB LYS A 114 -2.500 -6.844 -9.003 1.00 0.52 C ATOM 1235 CG LYS A 114 -3.457 -7.450 -10.023 1.00 0.64 C ATOM 1236 CD LYS A 114 -4.868 -7.608 -9.480 1.00 0.93 C ATOM 1237 CE LYS A 114 -5.065 -8.932 -8.761 1.00 1.55 C ATOM 1238 NZ LYS A 114 -6.509 -9.224 -8.540 1.00 2.07 N ATOM 0 H LYS A 114 -0.840 -5.471 -7.748 1.00 0.36 H new ATOM 0 HA LYS A 114 -0.590 -7.116 -9.956 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -2.230 -7.603 -8.269 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -3.009 -6.046 -8.463 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -3.482 -6.819 -10.911 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -3.081 -8.424 -10.335 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -5.085 -6.789 -8.794 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -5.581 -7.533 -10.301 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -4.616 -9.735 -9.345 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -4.547 -8.907 -7.802 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -6.611 -10.165 -8.108 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -6.915 -8.507 -7.906 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -7.010 -9.205 -9.451 1.00 2.07 H new ATOM 1252 N VAL A 115 -2.165 -4.270 -10.609 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.581 -3.367 -11.673 1.00 0.37 C ATOM 1254 C VAL A 115 -1.378 -2.990 -12.536 1.00 0.40 C ATOM 1255 O VAL A 115 -1.469 -2.930 -13.764 1.00 0.43 O ATOM 1256 CB VAL A 115 -3.235 -2.090 -11.099 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.803 -1.222 -12.204 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -4.330 -2.448 -10.105 1.00 0.46 C ATOM 0 H VAL A 115 -2.342 -3.918 -9.668 1.00 0.33 H new ATOM 0 HA VAL A 115 -3.321 -3.883 -12.285 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.459 -1.525 -10.582 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.257 -0.331 -11.770 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -3.003 -0.928 -12.883 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.559 -1.782 -12.755 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.778 -1.535 -9.712 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -5.095 -3.042 -10.605 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.902 -3.024 -9.284 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.251 -2.759 -11.875 1.00 0.44 N ATOM 1269 CA LYS A 116 1.008 -2.485 -12.544 1.00 0.54 C ATOM 1270 C LYS A 116 1.440 -3.669 -13.419 1.00 0.59 C ATOM 1271 O LYS A 116 1.874 -3.480 -14.556 1.00 0.72 O ATOM 1272 CB LYS A 116 2.075 -2.164 -11.481 1.00 0.60 C ATOM 1273 CG LYS A 116 3.497 -2.017 -12.010 1.00 0.93 C ATOM 1274 CD LYS A 116 3.797 -0.622 -12.556 1.00 1.13 C ATOM 1275 CE LYS A 116 3.047 -0.339 -13.844 1.00 0.85 C ATOM 1276 NZ LYS A 116 1.716 0.288 -13.618 1.00 1.25 N ATOM 0 H LYS A 116 -0.187 -2.757 -10.857 1.00 0.44 H new ATOM 0 HA LYS A 116 0.886 -1.628 -13.206 1.00 0.54 H new ATOM 0 HB2 LYS A 116 1.795 -1.239 -10.977 1.00 0.60 H new ATOM 0 HB3 LYS A 116 2.064 -2.953 -10.729 1.00 0.60 H new ATOM 0 HG2 LYS A 116 4.201 -2.245 -11.209 1.00 0.93 H new ATOM 0 HG3 LYS A 116 3.662 -2.751 -12.798 1.00 0.93 H new ATOM 0 HD2 LYS A 116 3.528 0.125 -11.809 1.00 1.13 H new ATOM 0 HD3 LYS A 116 4.868 -0.525 -12.732 1.00 1.13 H new ATOM 0 HE2 LYS A 116 3.650 0.318 -14.472 1.00 0.85 H new ATOM 0 HE3 LYS A 116 2.914 -1.271 -14.393 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 1.003 -0.189 -14.206 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 1.455 0.197 -12.615 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 1.759 1.295 -13.875 1.00 1.25 H new ATOM 1290 N LEU A 117 1.291 -4.882 -12.899 1.00 0.52 N ATOM 1291 CA LEU A 117 1.727 -6.085 -13.606 1.00 0.60 C ATOM 1292 C LEU A 117 0.814 -6.404 -14.786 1.00 0.54 C ATOM 1293 O LEU A 117 1.265 -6.929 -15.803 1.00 0.63 O ATOM 1294 CB LEU A 117 1.782 -7.282 -12.651 1.00 0.66 C ATOM 1295 CG LEU A 117 2.815 -7.180 -11.526 1.00 0.79 C ATOM 1296 CD1 LEU A 117 2.764 -8.419 -10.650 1.00 0.91 C ATOM 1297 CD2 LEU A 117 4.214 -6.998 -12.100 1.00 0.94 C ATOM 0 H LEU A 117 0.870 -5.061 -11.987 1.00 0.52 H new ATOM 0 HA LEU A 117 2.727 -5.891 -13.993 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.796 -7.414 -12.205 1.00 0.66 H new ATOM 0 HB3 LEU A 117 1.992 -8.180 -13.233 1.00 0.66 H new ATOM 0 HG LEU A 117 2.575 -6.309 -10.916 1.00 0.79 H new ATOM 0 HD11 LEU A 117 3.504 -8.333 -9.854 1.00 0.91 H new ATOM 0 HD12 LEU A 117 1.770 -8.515 -10.213 1.00 0.91 H new ATOM 0 HD13 LEU A 117 2.981 -9.300 -11.253 1.00 0.91 H new ATOM 0 HD21 LEU A 117 4.935 -6.927 -11.286 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.462 -7.851 -12.731 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.247 -6.085 -12.694 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.467 -6.073 -14.651 1.00 0.44 N ATOM 1310 CA GLU A 118 -1.432 -6.297 -15.725 1.00 0.46 C ATOM 1311 C GLU A 118 -1.272 -5.270 -16.847 1.00 0.49 C ATOM 1312 O GLU A 118 -2.056 -5.251 -17.797 1.00 0.54 O ATOM 1313 CB GLU A 118 -2.863 -6.257 -15.188 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.261 -7.481 -14.384 1.00 0.63 C ATOM 1315 CD GLU A 118 -4.749 -7.521 -14.105 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -5.476 -6.648 -14.626 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -5.201 -8.436 -13.374 1.00 1.65 O ATOM 0 H GLU A 118 -0.861 -5.650 -13.811 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.233 -7.287 -16.135 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -2.980 -5.372 -14.563 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -3.551 -6.148 -16.027 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -2.970 -8.381 -14.926 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -2.715 -7.487 -13.440 1.00 0.63 H new ATOM 1324 N GLY A 119 -0.274 -4.400 -16.728 1.00 0.55 N ATOM 1325 CA GLY A 119 0.019 -3.459 -17.795 1.00 0.66 C ATOM 1326 C GLY A 119 -0.741 -2.169 -17.649 1.00 0.63 C ATOM 1327 O GLY A 119 -0.648 -1.277 -18.492 1.00 0.80 O ATOM 0 H GLY A 119 0.336 -4.329 -15.914 1.00 0.55 H new ATOM 0 HA2 GLY A 119 1.088 -3.248 -17.806 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -0.226 -3.915 -18.755 1.00 0.66 H new ATOM 1331 N HIS A 120 -1.499 -2.065 -16.577 1.00 0.58 N ATOM 1332 CA HIS A 120 -2.342 -0.911 -16.376 1.00 0.62 C ATOM 1333 C HIS A 120 -1.604 0.131 -15.553 1.00 0.57 C ATOM 1334 O HIS A 120 -0.500 -0.113 -15.057 1.00 0.57 O ATOM 1335 CB HIS A 120 -3.651 -1.288 -15.678 1.00 0.66 C ATOM 1336 CG HIS A 120 -4.346 -2.490 -16.241 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -4.621 -2.658 -17.577 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -4.818 -3.593 -15.619 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -5.229 -3.817 -17.756 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.358 -4.405 -16.580 1.00 0.95 N ATOM 0 H HIS A 120 -1.547 -2.764 -15.836 1.00 0.58 H new ATOM 0 HA HIS A 120 -2.587 -0.500 -17.355 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -3.444 -1.468 -14.623 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -4.330 -0.437 -15.729 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.777 -3.796 -14.559 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -5.564 -4.216 -18.702 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -5.789 -5.315 -16.415 1.00 0.95 H new ATOM 1349 N GLU A 121 -2.215 1.284 -15.402 1.00 0.64 N ATOM 1350 CA GLU A 121 -1.614 2.371 -14.657 1.00 0.69 C ATOM 1351 C GLU A 121 -2.388 2.637 -13.379 1.00 0.65 C ATOM 1352 O GLU A 121 -3.607 2.480 -13.330 1.00 0.72 O ATOM 1353 CB GLU A 121 -1.541 3.649 -15.506 1.00 0.89 C ATOM 1354 CG GLU A 121 -2.883 4.119 -16.065 1.00 1.75 C ATOM 1355 CD GLU A 121 -3.424 3.222 -17.162 1.00 2.84 C ATOM 1356 OE1 GLU A 121 -2.979 3.363 -18.319 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -4.307 2.387 -16.873 1.00 3.60 O ATOM 0 H GLU A 121 -3.135 1.496 -15.788 1.00 0.64 H new ATOM 0 HA GLU A 121 -0.598 2.074 -14.397 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -1.115 4.448 -14.900 1.00 0.89 H new ATOM 0 HB3 GLU A 121 -0.856 3.479 -16.337 1.00 0.89 H new ATOM 0 HG2 GLU A 121 -3.609 4.168 -15.254 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -2.772 5.131 -16.455 1.00 1.75 H new ATOM 1364 N LEU A 122 -1.669 3.016 -12.340 1.00 0.71 N ATOM 1365 CA LEU A 122 -2.296 3.391 -11.091 1.00 0.72 C ATOM 1366 C LEU A 122 -2.529 4.895 -11.067 1.00 0.76 C ATOM 1367 O LEU A 122 -1.602 5.680 -11.273 1.00 0.88 O ATOM 1368 CB LEU A 122 -1.455 2.924 -9.893 1.00 0.80 C ATOM 1369 CG LEU A 122 0.032 2.676 -10.176 1.00 0.79 C ATOM 1370 CD1 LEU A 122 0.806 3.977 -10.321 1.00 1.51 C ATOM 1371 CD2 LEU A 122 0.638 1.824 -9.081 1.00 0.97 C ATOM 0 H LEU A 122 -0.651 3.072 -12.338 1.00 0.71 H new ATOM 0 HA LEU A 122 -3.263 2.894 -11.012 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -1.535 3.671 -9.104 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -1.890 2.003 -9.505 1.00 0.80 H new ATOM 0 HG LEU A 122 0.102 2.145 -11.125 1.00 0.79 H new ATOM 0 HD11 LEU A 122 1.855 3.756 -10.521 1.00 1.51 H new ATOM 0 HD12 LEU A 122 0.393 4.556 -11.147 1.00 1.51 H new ATOM 0 HD13 LEU A 122 0.726 4.553 -9.399 1.00 1.51 H new ATOM 0 HD21 LEU A 122 1.694 1.655 -9.294 1.00 0.97 H new ATOM 0 HD22 LEU A 122 0.538 2.336 -8.124 1.00 0.97 H new ATOM 0 HD23 LEU A 122 0.119 0.866 -9.036 1.00 0.97 H new ATOM 1383 N PRO A 123 -3.779 5.312 -10.833 1.00 0.79 N ATOM 1384 CA PRO A 123 -4.180 6.718 -10.929 1.00 0.89 C ATOM 1385 C PRO A 123 -3.656 7.571 -9.779 1.00 0.80 C ATOM 1386 O PRO A 123 -3.893 8.778 -9.743 1.00 0.89 O ATOM 1387 CB PRO A 123 -5.708 6.646 -10.879 1.00 1.01 C ATOM 1388 CG PRO A 123 -5.998 5.411 -10.099 1.00 0.93 C ATOM 1389 CD PRO A 123 -4.911 4.438 -10.460 1.00 0.83 C ATOM 0 HA PRO A 123 -3.779 7.189 -11.827 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -6.131 7.528 -10.398 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -6.136 6.593 -11.880 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -6.001 5.616 -9.028 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -6.981 5.011 -10.350 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -4.658 3.789 -9.622 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -5.208 3.791 -11.286 1.00 0.83 H new ATOM 1397 N ALA A 124 -2.957 6.928 -8.838 1.00 0.67 N ATOM 1398 CA ALA A 124 -2.468 7.590 -7.626 1.00 0.67 C ATOM 1399 C ALA A 124 -3.638 8.103 -6.797 1.00 0.62 C ATOM 1400 O ALA A 124 -3.487 8.980 -5.950 1.00 0.71 O ATOM 1401 CB ALA A 124 -1.510 8.725 -7.966 1.00 0.87 C ATOM 0 H ALA A 124 -2.716 5.939 -8.895 1.00 0.67 H new ATOM 0 HA ALA A 124 -1.917 6.857 -7.037 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -1.164 9.197 -7.046 1.00 0.87 H new ATOM 0 HB2 ALA A 124 -0.655 8.328 -8.514 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -2.024 9.463 -8.581 1.00 0.87 H new ATOM 1407 N ASP A 125 -4.797 7.518 -7.043 1.00 0.57 N ATOM 1408 CA ASP A 125 -6.025 7.906 -6.373 1.00 0.57 C ATOM 1409 C ASP A 125 -6.531 6.759 -5.519 1.00 0.50 C ATOM 1410 O ASP A 125 -6.564 5.617 -5.979 1.00 0.56 O ATOM 1411 CB ASP A 125 -7.090 8.268 -7.414 1.00 0.68 C ATOM 1412 CG ASP A 125 -7.503 9.725 -7.374 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -8.285 10.100 -6.473 1.00 1.94 O ATOM 1414 OD2 ASP A 125 -7.083 10.491 -8.266 1.00 1.35 O ATOM 0 H ASP A 125 -4.913 6.759 -7.714 1.00 0.57 H new ATOM 0 HA ASP A 125 -5.825 8.770 -5.739 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -6.710 8.034 -8.408 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -7.970 7.645 -7.254 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.877 7.048 -4.275 1.00 0.45 N ATOM 1420 CA LEU A 126 -7.553 6.075 -3.435 1.00 0.48 C ATOM 1421 C LEU A 126 -9.063 6.303 -3.456 1.00 0.51 C ATOM 1422 O LEU A 126 -9.579 7.156 -2.730 1.00 0.56 O ATOM 1423 CB LEU A 126 -7.038 6.147 -1.995 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.580 5.727 -1.795 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -5.175 5.904 -0.340 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -5.378 4.283 -2.228 1.00 0.56 C ATOM 0 H LEU A 126 -6.701 7.947 -3.826 1.00 0.45 H new ATOM 0 HA LEU A 126 -7.339 5.083 -3.834 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -7.156 7.169 -1.636 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.669 5.515 -1.370 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.948 6.365 -2.413 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -4.136 5.601 -0.212 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -5.286 6.951 -0.056 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.813 5.287 0.293 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -4.336 4.001 -2.079 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -6.019 3.632 -1.633 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -5.635 4.180 -3.282 1.00 0.56 H new ATOM 1438 N PRO A 127 -9.796 5.562 -4.303 1.00 0.55 N ATOM 1439 CA PRO A 127 -11.250 5.664 -4.374 1.00 0.61 C ATOM 1440 C PRO A 127 -11.913 4.949 -3.200 1.00 0.50 C ATOM 1441 O PRO A 127 -11.294 4.091 -2.572 1.00 0.46 O ATOM 1442 CB PRO A 127 -11.588 4.979 -5.699 1.00 0.75 C ATOM 1443 CG PRO A 127 -10.482 4.016 -5.936 1.00 0.72 C ATOM 1444 CD PRO A 127 -9.260 4.576 -5.259 1.00 0.63 C ATOM 0 HA PRO A 127 -11.606 6.693 -4.323 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -12.549 4.468 -5.644 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.659 5.704 -6.510 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -10.731 3.035 -5.532 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -10.306 3.886 -7.004 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -8.694 3.796 -4.751 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -8.586 5.043 -5.977 1.00 0.63 H new ATOM 1452 N PRO A 128 -13.176 5.287 -2.887 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.890 4.731 -1.728 1.00 0.52 C ATOM 1454 C PRO A 128 -13.896 3.202 -1.675 1.00 0.50 C ATOM 1455 O PRO A 128 -14.006 2.621 -0.598 1.00 0.58 O ATOM 1456 CB PRO A 128 -15.306 5.263 -1.886 1.00 0.66 C ATOM 1457 CG PRO A 128 -15.167 6.500 -2.700 1.00 0.71 C ATOM 1458 CD PRO A 128 -14.003 6.264 -3.621 1.00 0.63 C ATOM 0 HA PRO A 128 -13.403 5.025 -0.798 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.948 4.535 -2.382 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -15.757 5.477 -0.917 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -16.077 6.699 -3.266 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -14.991 7.367 -2.064 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -14.327 5.872 -4.585 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.455 7.185 -3.819 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.766 2.549 -2.828 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.743 1.083 -2.866 1.00 0.59 C ATOM 1468 C HIS A 129 -12.326 0.540 -2.655 1.00 0.60 C ATOM 1469 O HIS A 129 -12.074 -0.653 -2.833 1.00 0.74 O ATOM 1470 CB HIS A 129 -14.348 0.539 -4.175 1.00 0.71 C ATOM 1471 CG HIS A 129 -13.683 1.014 -5.435 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -14.265 1.924 -6.289 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -12.503 0.672 -6.002 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -13.473 2.124 -7.324 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -12.396 1.378 -7.174 1.00 0.94 N ATOM 0 H HIS A 129 -13.676 3.001 -3.738 1.00 0.50 H new ATOM 0 HA HIS A 129 -14.364 0.732 -2.042 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.307 -0.550 -4.150 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -15.401 0.817 -4.212 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -11.780 -0.026 -5.606 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -13.672 2.786 -8.154 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -11.611 1.333 -7.824 1.00 0.94 H new ATOM 1484 N LEU A 130 -11.406 1.423 -2.289 1.00 0.50 N ATOM 1485 CA LEU A 130 -10.047 1.029 -1.942 1.00 0.56 C ATOM 1486 C LEU A 130 -9.618 1.676 -0.629 1.00 0.56 C ATOM 1487 O LEU A 130 -8.902 1.072 0.158 1.00 0.64 O ATOM 1488 CB LEU A 130 -9.061 1.402 -3.055 1.00 0.60 C ATOM 1489 CG LEU A 130 -9.166 0.569 -4.334 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -8.153 1.043 -5.365 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -8.947 -0.904 -4.026 1.00 0.83 C ATOM 0 H LEU A 130 -11.579 2.426 -2.225 1.00 0.50 H new ATOM 0 HA LEU A 130 -10.037 -0.054 -1.823 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -9.210 2.451 -3.312 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -8.047 1.310 -2.665 1.00 0.60 H new ATOM 0 HG LEU A 130 -10.167 0.697 -4.745 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -8.243 0.439 -6.268 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -8.343 2.089 -5.608 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -7.146 0.942 -4.959 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -9.025 -1.484 -4.946 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -7.956 -1.042 -3.593 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -9.703 -1.244 -3.318 1.00 0.83 H new ATOM 1503 N VAL A 131 -10.065 2.904 -0.390 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.758 3.588 0.860 1.00 0.65 C ATOM 1505 C VAL A 131 -10.846 3.318 1.907 1.00 0.79 C ATOM 1506 O VAL A 131 -11.980 3.795 1.797 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.553 5.115 0.649 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -10.778 5.771 0.033 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -9.181 5.801 1.954 1.00 1.40 C ATOM 0 H VAL A 131 -10.637 3.443 -1.040 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.816 3.185 1.231 1.00 0.65 H new ATOM 0 HB VAL A 131 -8.727 5.233 -0.052 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -10.593 6.837 -0.098 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -10.985 5.317 -0.936 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -11.636 5.630 0.690 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -9.043 6.868 1.778 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -9.978 5.653 2.683 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -8.254 5.374 2.338 1.00 1.40 H new ATOM 1746 N TYR B 148 7.931 8.625 4.807 1.00 0.63 N ATOM 1747 CA TYR B 148 8.056 7.345 5.488 1.00 0.45 C ATOM 1748 C TYR B 148 8.185 6.249 4.442 1.00 0.40 C ATOM 1749 O TYR B 148 7.934 5.073 4.704 1.00 0.58 O ATOM 1750 CB TYR B 148 6.817 7.114 6.357 1.00 0.52 C ATOM 1751 CG TYR B 148 6.463 8.306 7.221 1.00 0.55 C ATOM 1752 CD1 TYR B 148 5.843 9.420 6.668 1.00 0.63 C ATOM 1753 CD2 TYR B 148 6.754 8.323 8.577 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.523 10.518 7.441 1.00 0.73 C ATOM 1755 CE2 TYR B 148 6.437 9.420 9.361 1.00 0.72 C ATOM 1756 CZ TYR B 148 5.821 10.514 8.789 1.00 0.75 C ATOM 1757 OH TYR B 148 5.508 11.611 9.568 1.00 0.89 O ATOM 0 HA TYR B 148 8.938 7.336 6.128 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.970 6.875 5.714 1.00 0.52 H new ATOM 0 HB3 TYR B 148 6.986 6.248 6.996 1.00 0.52 H new ATOM 0 HD1 TYR B 148 5.607 9.427 5.614 1.00 0.63 H new ATOM 0 HD2 TYR B 148 7.235 7.468 9.028 1.00 0.63 H new ATOM 0 HE1 TYR B 148 5.042 11.375 6.994 1.00 0.73 H new ATOM 0 HE2 TYR B 148 6.671 9.419 10.415 1.00 0.72 H new ATOM 0 HH TYR B 148 5.784 11.444 10.494 1.00 0.89 H new ATOM 1767 N ASN B 149 8.597 6.668 3.259 1.00 0.38 N ATOM 1768 CA ASN B 149 8.655 5.809 2.095 1.00 0.30 C ATOM 1769 C ASN B 149 10.073 5.277 1.913 1.00 0.31 C ATOM 1770 O ASN B 149 11.007 6.048 1.734 1.00 0.36 O ATOM 1771 CB ASN B 149 8.211 6.616 0.872 1.00 0.34 C ATOM 1772 CG ASN B 149 8.026 5.785 -0.382 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.730 4.807 -0.623 1.00 0.27 O ATOM 1774 ND2 ASN B 149 7.060 6.182 -1.191 1.00 0.43 N ATOM 0 H ASN B 149 8.903 7.624 3.080 1.00 0.38 H new ATOM 0 HA ASN B 149 7.991 4.954 2.221 1.00 0.30 H new ATOM 0 HB2 ASN B 149 7.272 7.120 1.103 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.950 7.393 0.675 1.00 0.34 H new ATOM 0 HD21 ASN B 149 6.875 5.671 -2.054 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.499 7.000 -0.953 1.00 0.43 H new ATOM 1781 N PRO B 150 10.244 3.948 1.958 1.00 0.30 N ATOM 1782 CA PRO B 150 11.558 3.304 1.885 1.00 0.34 C ATOM 1783 C PRO B 150 12.179 3.374 0.491 1.00 0.33 C ATOM 1784 O PRO B 150 13.346 3.033 0.307 1.00 0.35 O ATOM 1785 CB PRO B 150 11.271 1.842 2.265 1.00 0.38 C ATOM 1786 CG PRO B 150 9.865 1.819 2.759 1.00 0.51 C ATOM 1787 CD PRO B 150 9.172 2.964 2.087 1.00 0.30 C ATOM 0 HA PRO B 150 12.277 3.798 2.539 1.00 0.34 H new ATOM 0 HB2 PRO B 150 11.394 1.183 1.405 1.00 0.38 H new ATOM 0 HB3 PRO B 150 11.961 1.495 3.034 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.381 0.873 2.515 1.00 0.51 H new ATOM 0 HG3 PRO B 150 9.831 1.924 3.843 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.763 2.679 1.117 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.342 3.343 2.684 1.00 0.30 H new ATOM 1795 N PHE B 151 11.401 3.793 -0.490 1.00 0.32 N ATOM 1796 CA PHE B 151 11.898 3.925 -1.850 1.00 0.35 C ATOM 1797 C PHE B 151 12.076 5.394 -2.183 1.00 0.39 C ATOM 1798 O PHE B 151 12.756 5.761 -3.142 1.00 0.50 O ATOM 1799 CB PHE B 151 10.919 3.275 -2.817 1.00 0.32 C ATOM 1800 CG PHE B 151 10.416 1.953 -2.320 1.00 0.32 C ATOM 1801 CD1 PHE B 151 11.200 0.816 -2.419 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.161 1.850 -1.742 1.00 0.32 C ATOM 1803 CE1 PHE B 151 10.739 -0.397 -1.950 1.00 0.46 C ATOM 1804 CE2 PHE B 151 8.696 0.639 -1.271 1.00 0.39 C ATOM 1805 CZ PHE B 151 9.486 -0.486 -1.375 1.00 0.45 C ATOM 0 H PHE B 151 10.421 4.048 -0.372 1.00 0.32 H new ATOM 0 HA PHE B 151 12.862 3.424 -1.939 1.00 0.35 H new ATOM 0 HB2 PHE B 151 10.074 3.944 -2.979 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.405 3.136 -3.783 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.181 0.879 -2.867 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.539 2.729 -1.659 1.00 0.32 H new ATOM 0 HE1 PHE B 151 11.358 -1.278 -2.033 1.00 0.46 H new ATOM 0 HE2 PHE B 151 7.716 0.573 -0.822 1.00 0.39 H new ATOM 0 HZ PHE B 151 9.126 -1.436 -1.007 1.00 0.45 H new ATOM 1815 N GLU B 152 11.458 6.221 -1.362 1.00 0.41 N ATOM 1816 CA GLU B 152 11.547 7.659 -1.490 1.00 0.49 C ATOM 1817 C GLU B 152 12.073 8.235 -0.172 1.00 0.59 C ATOM 1818 O GLU B 152 11.458 9.095 0.453 1.00 0.76 O ATOM 1819 CB GLU B 152 10.172 8.225 -1.866 1.00 0.60 C ATOM 1820 CG GLU B 152 10.141 9.738 -2.055 1.00 0.62 C ATOM 1821 CD GLU B 152 8.747 10.266 -2.314 1.00 0.74 C ATOM 1822 OE1 GLU B 152 7.971 10.409 -1.348 1.00 1.42 O ATOM 1823 OE2 GLU B 152 8.417 10.543 -3.483 1.00 1.01 O ATOM 0 H GLU B 152 10.877 5.910 -0.583 1.00 0.41 H new ATOM 0 HA GLU B 152 12.240 7.940 -2.283 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.837 7.749 -2.788 1.00 0.60 H new ATOM 0 HB3 GLU B 152 9.457 7.954 -1.089 1.00 0.60 H new ATOM 0 HG2 GLU B 152 10.548 10.219 -1.166 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.788 10.009 -2.889 1.00 0.62 H new