USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 53 TYR OH : rot 77:sc= 1.12 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0752 X(o=1,f=0.95) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -140:sc= 0.0729 (180deg=-0.0613) USER MOD Set 2.2: A 83 ASN : amide:sc= 0.374 K(o=0.45,f=-1.9!) USER MOD Set 3.1: A 68 THR OG1 : rot -28:sc= 1 USER MOD Set 3.2: A 71 ASN : amide:sc= 1.34 K(o=2.3,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.11) 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 -79:sc= 0.422 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= 0.72 (180deg=-0.635) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -107:sc= -3.25! (180deg=-3.82!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.129) USER MOD Single : A 79 SER OG : rot -90:sc= -0.0744 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 135:sc= 0.524 (180deg=0.000984) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= -1.52 (180deg=-2.45!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0263 F(o=-0.68,f=-0.026) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= 1.32 (180deg=0.781) USER MOD Single : A 116 LYS NZ :NH3+ 143:sc= 0.009 (180deg=-1.57!) USER MOD Single : A 120 HIS :FLIP no HD1:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0051) USER MOD Single : B 152 THR OG1 : rot -111:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -12.229 -5.823 -3.990 1.00 0.96 N ATOM 117 CA TRP A 44 -10.899 -5.266 -3.905 1.00 0.76 C ATOM 118 C TRP A 44 -9.933 -6.164 -4.665 1.00 0.61 C ATOM 119 O TRP A 44 -9.700 -7.305 -4.271 1.00 0.62 O ATOM 120 CB TRP A 44 -10.484 -5.136 -2.439 1.00 0.89 C ATOM 121 CG TRP A 44 -9.186 -4.418 -2.245 1.00 0.64 C ATOM 122 CD1 TRP A 44 -8.785 -3.270 -2.860 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.126 -4.794 -1.361 1.00 0.59 C ATOM 124 NE1 TRP A 44 -7.534 -2.915 -2.421 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.108 -3.834 -1.499 1.00 0.53 C ATOM 126 CE3 TRP A 44 -7.936 -5.856 -0.469 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -5.923 -3.898 -0.775 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.759 -5.916 0.249 1.00 0.77 C ATOM 129 CH2 TRP A 44 -5.767 -4.945 0.091 1.00 0.69 C ATOM 0 HA TRP A 44 -10.882 -4.272 -4.352 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.267 -4.608 -1.894 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.408 -6.132 -2.002 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.366 -2.720 -3.586 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.007 -2.099 -2.731 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.696 -6.614 -0.345 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -5.154 -3.149 -0.892 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.602 -6.727 0.945 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -4.856 -5.023 0.666 1.00 0.69 H new ATOM 140 N VAL A 45 -9.399 -5.642 -5.762 1.00 0.60 N ATOM 141 CA VAL A 45 -8.571 -6.416 -6.680 1.00 0.57 C ATOM 142 C VAL A 45 -7.423 -7.118 -5.962 1.00 0.54 C ATOM 143 O VAL A 45 -7.138 -8.287 -6.220 1.00 0.67 O ATOM 144 CB VAL A 45 -7.987 -5.511 -7.782 1.00 0.67 C ATOM 145 CG1 VAL A 45 -7.222 -6.330 -8.805 1.00 1.01 C ATOM 146 CG2 VAL A 45 -9.083 -4.704 -8.458 1.00 1.33 C ATOM 0 H VAL A 45 -9.527 -4.669 -6.041 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.219 -7.172 -7.123 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.292 -4.816 -7.311 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -6.819 -5.669 -9.573 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -6.404 -6.855 -8.312 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -7.893 -7.055 -9.266 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -8.646 -4.073 -9.232 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -9.808 -5.381 -8.909 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -9.582 -4.078 -7.719 1.00 1.33 H new ATOM 156 N VAL A 46 -6.803 -6.412 -5.029 1.00 0.43 N ATOM 157 CA VAL A 46 -5.611 -6.910 -4.351 1.00 0.40 C ATOM 158 C VAL A 46 -5.990 -7.899 -3.247 1.00 0.46 C ATOM 159 O VAL A 46 -5.133 -8.470 -2.579 1.00 0.53 O ATOM 160 CB VAL A 46 -4.794 -5.738 -3.764 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.415 -6.197 -3.320 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.675 -4.610 -4.779 1.00 0.41 C ATOM 0 H VAL A 46 -7.106 -5.488 -4.721 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.995 -7.432 -5.083 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.324 -5.367 -2.887 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -2.864 -5.350 -2.911 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.517 -6.967 -2.555 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -2.874 -6.604 -4.175 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.096 -3.793 -4.349 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.173 -4.978 -5.674 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.670 -4.251 -5.042 1.00 0.41 H new ATOM 172 N GLY A 47 -7.286 -8.112 -3.073 1.00 0.51 N ATOM 173 CA GLY A 47 -7.753 -9.033 -2.060 1.00 0.59 C ATOM 174 C GLY A 47 -7.743 -10.473 -2.534 1.00 0.65 C ATOM 175 O GLY A 47 -7.867 -11.398 -1.731 1.00 0.78 O ATOM 0 H GLY A 47 -8.023 -7.662 -3.617 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.125 -8.942 -1.174 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.765 -8.759 -1.763 1.00 0.59 H new ATOM 179 N LYS A 48 -7.584 -10.674 -3.840 1.00 0.66 N ATOM 180 CA LYS A 48 -7.605 -12.019 -4.406 1.00 0.79 C ATOM 181 C LYS A 48 -6.243 -12.680 -4.286 1.00 0.73 C ATOM 182 O LYS A 48 -6.141 -13.903 -4.187 1.00 0.86 O ATOM 183 CB LYS A 48 -8.033 -11.986 -5.875 1.00 0.94 C ATOM 184 CG LYS A 48 -9.442 -11.466 -6.084 1.00 1.18 C ATOM 185 CD LYS A 48 -10.460 -12.302 -5.315 1.00 1.81 C ATOM 186 CE LYS A 48 -11.854 -11.691 -5.361 1.00 2.64 C ATOM 187 NZ LYS A 48 -12.461 -11.766 -6.717 1.00 3.22 N ATOM 0 H LYS A 48 -7.440 -9.929 -4.521 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.331 -12.603 -3.840 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -7.337 -11.360 -6.434 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -7.960 -12.992 -6.289 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -9.501 -10.427 -5.759 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -9.684 -11.481 -7.147 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -10.492 -13.308 -5.733 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -10.140 -12.397 -4.277 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -12.498 -12.207 -4.649 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -11.802 -10.649 -5.046 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -13.409 -11.338 -6.697 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -11.862 -11.252 -7.394 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -12.537 -12.761 -7.009 1.00 3.22 H new ATOM 201 N ASP A 49 -5.194 -11.871 -4.279 1.00 0.61 N ATOM 202 CA ASP A 49 -3.844 -12.392 -4.153 1.00 0.65 C ATOM 203 C ASP A 49 -3.160 -11.731 -2.962 1.00 0.53 C ATOM 204 O ASP A 49 -1.940 -11.544 -2.925 1.00 0.60 O ATOM 205 CB ASP A 49 -3.076 -12.172 -5.468 1.00 0.80 C ATOM 206 CG ASP A 49 -2.652 -10.732 -5.721 1.00 1.61 C ATOM 207 OD1 ASP A 49 -3.530 -9.833 -5.659 1.00 2.39 O ATOM 208 OD2 ASP A 49 -1.451 -10.483 -5.937 1.00 1.93 O ATOM 0 H ASP A 49 -5.252 -10.856 -4.359 1.00 0.61 H new ATOM 0 HA ASP A 49 -3.865 -13.466 -3.969 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.187 -12.803 -5.464 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -3.700 -12.504 -6.298 1.00 0.80 H new ATOM 213 N LYS A 50 -3.975 -11.469 -1.946 1.00 0.43 N ATOM 214 CA LYS A 50 -3.525 -10.816 -0.720 1.00 0.39 C ATOM 215 C LYS A 50 -2.796 -11.786 0.223 1.00 0.32 C ATOM 216 O LYS A 50 -1.769 -11.417 0.784 1.00 0.29 O ATOM 217 CB LYS A 50 -4.708 -10.189 0.026 1.00 0.50 C ATOM 218 CG LYS A 50 -4.303 -9.076 0.984 1.00 0.74 C ATOM 219 CD LYS A 50 -5.338 -8.857 2.075 1.00 0.72 C ATOM 220 CE LYS A 50 -5.156 -9.846 3.210 1.00 0.80 C ATOM 221 NZ LYS A 50 -6.201 -9.705 4.256 1.00 1.17 N ATOM 0 H LYS A 50 -4.968 -11.703 -1.948 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.822 -10.040 -1.022 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.416 -9.792 -0.701 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.228 -10.967 0.585 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.343 -9.321 1.439 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -4.164 -8.150 0.426 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -5.256 -7.840 2.459 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.339 -8.960 1.656 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -5.179 -10.860 2.812 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -4.174 -9.702 3.660 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -6.116 -10.485 4.939 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -6.078 -8.798 4.750 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -7.142 -9.733 3.813 1.00 1.17 H new ATOM 235 N PRO A 51 -3.316 -13.028 0.442 1.00 0.34 N ATOM 236 CA PRO A 51 -2.687 -14.006 1.355 1.00 0.33 C ATOM 237 C PRO A 51 -1.186 -14.192 1.117 1.00 0.29 C ATOM 238 O PRO A 51 -0.451 -14.591 2.019 1.00 0.29 O ATOM 239 CB PRO A 51 -3.437 -15.301 1.047 1.00 0.45 C ATOM 240 CG PRO A 51 -4.786 -14.852 0.623 1.00 0.65 C ATOM 241 CD PRO A 51 -4.570 -13.572 -0.134 1.00 0.44 C ATOM 0 HA PRO A 51 -2.755 -13.679 2.392 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.942 -15.870 0.260 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.490 -15.948 1.923 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -5.269 -15.601 -0.005 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.434 -14.693 1.485 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.473 -13.752 -1.205 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.404 -12.883 -0.000 1.00 0.44 H new ATOM 249 N THR A 52 -0.728 -13.900 -0.094 1.00 0.29 N ATOM 250 CA THR A 52 0.691 -13.979 -0.398 1.00 0.28 C ATOM 251 C THR A 52 1.437 -12.858 0.328 1.00 0.25 C ATOM 252 O THR A 52 2.459 -13.094 0.982 1.00 0.25 O ATOM 253 CB THR A 52 0.940 -13.873 -1.916 1.00 0.33 C ATOM 254 OG1 THR A 52 0.071 -14.778 -2.612 1.00 0.45 O ATOM 255 CG2 THR A 52 2.392 -14.199 -2.248 1.00 0.40 C ATOM 0 H THR A 52 -1.316 -13.609 -0.875 1.00 0.29 H new ATOM 0 HA THR A 52 1.061 -14.946 -0.058 1.00 0.28 H new ATOM 0 HB THR A 52 0.733 -12.850 -2.231 1.00 0.33 H new ATOM 0 HG1 THR A 52 0.230 -14.708 -3.576 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.546 -14.118 -3.324 1.00 0.40 H new ATOM 0 HG22 THR A 52 3.049 -13.498 -1.734 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.620 -15.214 -1.924 1.00 0.40 H new ATOM 263 N TYR A 53 0.881 -11.651 0.261 1.00 0.25 N ATOM 264 CA TYR A 53 1.485 -10.500 0.920 1.00 0.25 C ATOM 265 C TYR A 53 1.279 -10.596 2.427 1.00 0.22 C ATOM 266 O TYR A 53 2.027 -10.012 3.195 1.00 0.21 O ATOM 267 CB TYR A 53 0.867 -9.187 0.432 1.00 0.28 C ATOM 268 CG TYR A 53 0.685 -9.067 -1.069 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.646 -9.529 -1.962 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.456 -8.473 -1.587 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.469 -9.392 -3.330 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.639 -8.336 -2.945 1.00 0.59 C ATOM 273 CZ TYR A 53 0.319 -8.798 -3.813 1.00 0.56 C ATOM 274 OH TYR A 53 0.129 -8.650 -5.170 1.00 0.70 O ATOM 0 H TYR A 53 0.017 -11.447 -0.241 1.00 0.25 H new ATOM 0 HA TYR A 53 2.548 -10.505 0.677 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.105 -9.064 0.909 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.494 -8.363 0.771 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.541 -10.000 -1.585 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.217 -8.110 -0.912 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.225 -9.747 -4.014 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -1.534 -7.866 -3.326 1.00 0.59 H new ATOM 0 HH TYR A 53 -0.136 -9.510 -5.559 1.00 0.70 H new ATOM 284 N ASP A 54 0.260 -11.349 2.828 1.00 0.23 N ATOM 285 CA ASP A 54 -0.024 -11.603 4.242 1.00 0.24 C ATOM 286 C ASP A 54 1.051 -12.499 4.845 1.00 0.21 C ATOM 287 O ASP A 54 1.571 -12.239 5.938 1.00 0.22 O ATOM 288 CB ASP A 54 -1.410 -12.249 4.379 1.00 0.29 C ATOM 289 CG ASP A 54 -1.610 -13.008 5.682 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.232 -14.194 5.758 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.100 -12.397 6.655 1.00 0.73 O ATOM 0 H ASP A 54 -0.392 -11.801 2.187 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.020 -10.658 4.786 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.171 -11.473 4.302 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.566 -12.932 3.544 1.00 0.29 H new ATOM 296 N GLU A 55 1.402 -13.540 4.103 1.00 0.23 N ATOM 297 CA GLU A 55 2.461 -14.445 4.508 1.00 0.25 C ATOM 298 C GLU A 55 3.775 -13.675 4.645 1.00 0.24 C ATOM 299 O GLU A 55 4.505 -13.829 5.626 1.00 0.30 O ATOM 300 CB GLU A 55 2.616 -15.568 3.482 1.00 0.32 C ATOM 301 CG GLU A 55 3.448 -16.745 3.971 1.00 0.41 C ATOM 302 CD GLU A 55 2.798 -17.480 5.125 1.00 1.13 C ATOM 303 OE1 GLU A 55 1.680 -18.001 4.944 1.00 1.86 O ATOM 304 OE2 GLU A 55 3.406 -17.549 6.213 1.00 1.66 O ATOM 0 H GLU A 55 0.964 -13.777 3.213 1.00 0.23 H new ATOM 0 HA GLU A 55 2.203 -14.885 5.471 1.00 0.25 H new ATOM 0 HB2 GLU A 55 1.626 -15.928 3.201 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.075 -15.162 2.581 1.00 0.32 H new ATOM 0 HG2 GLU A 55 3.607 -17.440 3.146 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.430 -16.387 4.280 1.00 0.41 H new ATOM 311 N ILE A 56 4.058 -12.836 3.654 1.00 0.22 N ATOM 312 CA ILE A 56 5.241 -11.984 3.686 1.00 0.24 C ATOM 313 C ILE A 56 5.142 -10.974 4.832 1.00 0.24 C ATOM 314 O ILE A 56 6.117 -10.712 5.528 1.00 0.27 O ATOM 315 CB ILE A 56 5.420 -11.230 2.349 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.521 -12.224 1.187 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.656 -10.340 2.397 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.530 -11.569 -0.178 1.00 0.32 C ATOM 0 H ILE A 56 3.484 -12.728 2.818 1.00 0.22 H new ATOM 0 HA ILE A 56 6.107 -12.626 3.844 1.00 0.24 H new ATOM 0 HB ILE A 56 4.547 -10.597 2.190 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.431 -12.813 1.303 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.683 -12.918 1.241 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.765 -9.817 1.447 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.549 -9.612 3.201 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.539 -10.953 2.577 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.604 -12.336 -0.949 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.609 -11.003 -0.316 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.384 -10.896 -0.253 1.00 0.32 H new ATOM 330 N PHE A 57 3.942 -10.441 5.029 1.00 0.22 N ATOM 331 CA PHE A 57 3.673 -9.439 6.061 1.00 0.23 C ATOM 332 C PHE A 57 4.148 -9.913 7.431 1.00 0.26 C ATOM 333 O PHE A 57 4.881 -9.210 8.128 1.00 0.29 O ATOM 334 CB PHE A 57 2.165 -9.141 6.099 1.00 0.23 C ATOM 335 CG PHE A 57 1.776 -8.004 7.001 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.757 -6.700 6.534 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.438 -8.246 8.318 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.408 -5.660 7.369 1.00 0.30 C ATOM 339 CE2 PHE A 57 1.088 -7.211 9.157 1.00 0.39 C ATOM 340 CZ PHE A 57 1.047 -5.897 8.647 1.00 0.34 C ATOM 0 H PHE A 57 3.122 -10.691 4.476 1.00 0.22 H new ATOM 0 HA PHE A 57 4.223 -8.531 5.815 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.826 -8.918 5.087 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.638 -10.039 6.420 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.018 -6.496 5.506 1.00 0.27 H new ATOM 0 HD2 PHE A 57 1.448 -9.258 8.694 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.424 -4.646 6.997 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.848 -7.404 10.192 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.727 -5.082 9.279 1.00 0.34 H new ATOM 350 N TYR A 58 3.748 -11.116 7.805 1.00 0.33 N ATOM 351 CA TYR A 58 4.089 -11.646 9.115 1.00 0.40 C ATOM 352 C TYR A 58 5.535 -12.127 9.180 1.00 0.44 C ATOM 353 O TYR A 58 6.120 -12.187 10.261 1.00 0.62 O ATOM 354 CB TYR A 58 3.138 -12.776 9.509 1.00 0.46 C ATOM 355 CG TYR A 58 1.759 -12.297 9.895 1.00 0.53 C ATOM 356 CD1 TYR A 58 1.583 -11.462 10.992 1.00 0.77 C ATOM 357 CD2 TYR A 58 0.637 -12.680 9.176 1.00 0.60 C ATOM 358 CE1 TYR A 58 0.327 -11.020 11.358 1.00 0.87 C ATOM 359 CE2 TYR A 58 -0.623 -12.243 9.535 1.00 0.71 C ATOM 360 CZ TYR A 58 -0.772 -11.413 10.627 1.00 0.78 C ATOM 361 OH TYR A 58 -2.029 -10.978 10.991 1.00 0.91 O ATOM 0 H TYR A 58 3.190 -11.742 7.224 1.00 0.33 H new ATOM 0 HA TYR A 58 3.981 -10.828 9.827 1.00 0.40 H new ATOM 0 HB2 TYR A 58 3.051 -13.474 8.676 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.569 -13.328 10.344 1.00 0.46 H new ATOM 0 HD1 TYR A 58 2.443 -11.154 11.568 1.00 0.77 H new ATOM 0 HD2 TYR A 58 0.750 -13.331 8.321 1.00 0.60 H new ATOM 0 HE1 TYR A 58 0.207 -10.370 12.212 1.00 0.87 H new ATOM 0 HE2 TYR A 58 -1.487 -12.549 8.964 1.00 0.71 H new ATOM 0 HH TYR A 58 -2.694 -11.345 10.372 1.00 0.91 H new ATOM 371 N THR A 59 6.126 -12.439 8.036 1.00 0.40 N ATOM 372 CA THR A 59 7.503 -12.912 8.016 1.00 0.45 C ATOM 373 C THR A 59 8.489 -11.749 7.911 1.00 0.48 C ATOM 374 O THR A 59 9.691 -11.955 7.737 1.00 0.56 O ATOM 375 CB THR A 59 7.750 -13.918 6.871 1.00 0.49 C ATOM 376 OG1 THR A 59 7.189 -13.431 5.649 1.00 0.48 O ATOM 377 CG2 THR A 59 7.147 -15.271 7.207 1.00 0.58 C ATOM 0 H THR A 59 5.681 -12.375 7.120 1.00 0.40 H new ATOM 0 HA THR A 59 7.670 -13.428 8.962 1.00 0.45 H new ATOM 0 HB THR A 59 8.827 -14.033 6.748 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.223 -13.595 5.644 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.332 -15.965 6.387 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.603 -15.656 8.119 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.073 -15.164 7.356 1.00 0.58 H new ATOM 385 N LEU A 60 7.972 -10.528 8.027 1.00 0.48 N ATOM 386 CA LEU A 60 8.813 -9.333 8.028 1.00 0.56 C ATOM 387 C LEU A 60 8.938 -8.767 9.437 1.00 0.61 C ATOM 388 O LEU A 60 9.597 -7.746 9.644 1.00 0.71 O ATOM 389 CB LEU A 60 8.247 -8.258 7.097 1.00 0.64 C ATOM 390 CG LEU A 60 8.305 -8.585 5.605 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.662 -7.470 4.798 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.744 -8.811 5.161 1.00 1.17 C ATOM 0 H LEU A 60 6.974 -10.340 8.122 1.00 0.48 H new ATOM 0 HA LEU A 60 9.799 -9.625 7.667 1.00 0.56 H new ATOM 0 HB2 LEU A 60 7.208 -8.075 7.371 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.791 -7.329 7.269 1.00 0.64 H new ATOM 0 HG LEU A 60 7.748 -9.505 5.428 1.00 0.42 H new ATOM 0 HD11 LEU A 60 7.710 -7.715 3.737 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.620 -7.358 5.098 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.194 -6.536 4.979 1.00 0.86 H new ATOM 0 HD21 LEU A 60 9.764 -9.043 4.096 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.328 -7.910 5.348 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.171 -9.643 5.721 1.00 1.17 H new ATOM 404 N SER A 61 8.306 -9.451 10.392 1.00 0.59 N ATOM 405 CA SER A 61 8.275 -9.025 11.795 1.00 0.66 C ATOM 406 C SER A 61 7.427 -7.757 11.955 1.00 0.70 C ATOM 407 O SER A 61 7.935 -6.637 11.887 1.00 0.78 O ATOM 408 CB SER A 61 9.692 -8.795 12.339 1.00 0.74 C ATOM 409 OG SER A 61 10.538 -9.915 12.091 1.00 1.14 O ATOM 0 H SER A 61 7.799 -10.319 10.215 1.00 0.59 H new ATOM 0 HA SER A 61 7.818 -9.826 12.376 1.00 0.66 H new ATOM 0 HB2 SER A 61 10.120 -7.906 11.876 1.00 0.74 H new ATOM 0 HB3 SER A 61 9.644 -8.605 13.411 1.00 0.74 H new ATOM 0 HG SER A 61 11.433 -9.735 12.448 1.00 1.14 H new ATOM 415 N PRO A 62 6.108 -7.923 12.141 1.00 0.67 N ATOM 416 CA PRO A 62 5.173 -6.810 12.265 1.00 0.71 C ATOM 417 C PRO A 62 5.089 -6.265 13.689 1.00 0.83 C ATOM 418 O PRO A 62 5.517 -6.917 14.643 1.00 1.10 O ATOM 419 CB PRO A 62 3.825 -7.423 11.862 1.00 0.72 C ATOM 420 CG PRO A 62 4.072 -8.885 11.633 1.00 0.68 C ATOM 421 CD PRO A 62 5.411 -9.202 12.238 1.00 0.65 C ATOM 0 HA PRO A 62 5.480 -5.964 11.650 1.00 0.71 H new ATOM 0 HB2 PRO A 62 3.082 -7.273 12.645 1.00 0.72 H new ATOM 0 HB3 PRO A 62 3.438 -6.949 10.960 1.00 0.72 H new ATOM 0 HG2 PRO A 62 3.288 -9.486 12.094 1.00 0.68 H new ATOM 0 HG3 PRO A 62 4.065 -9.115 10.568 1.00 0.68 H new ATOM 0 HD2 PRO A 62 5.321 -9.539 13.271 1.00 0.65 H new ATOM 0 HD3 PRO A 62 5.928 -9.990 11.690 1.00 0.65 H new ATOM 429 N VAL A 63 4.532 -5.066 13.825 1.00 0.70 N ATOM 430 CA VAL A 63 4.346 -4.454 15.132 1.00 0.79 C ATOM 431 C VAL A 63 2.861 -4.307 15.434 1.00 0.78 C ATOM 432 O VAL A 63 2.185 -3.438 14.882 1.00 0.72 O ATOM 433 CB VAL A 63 5.018 -3.065 15.219 1.00 0.83 C ATOM 434 CG1 VAL A 63 4.914 -2.499 16.631 1.00 1.60 C ATOM 435 CG2 VAL A 63 6.471 -3.135 14.774 1.00 1.66 C ATOM 0 H VAL A 63 4.202 -4.500 13.044 1.00 0.70 H new ATOM 0 HA VAL A 63 4.816 -5.109 15.865 1.00 0.79 H new ATOM 0 HB VAL A 63 4.489 -2.393 14.543 1.00 0.83 H new ATOM 0 HG11 VAL A 63 5.394 -1.521 16.667 1.00 1.60 H new ATOM 0 HG12 VAL A 63 3.864 -2.398 16.906 1.00 1.60 H new ATOM 0 HG13 VAL A 63 5.409 -3.172 17.330 1.00 1.60 H new ATOM 0 HG21 VAL A 63 6.921 -2.145 14.845 1.00 1.66 H new ATOM 0 HG22 VAL A 63 7.015 -3.828 15.416 1.00 1.66 H new ATOM 0 HG23 VAL A 63 6.519 -3.483 13.742 1.00 1.66 H new ATOM 445 N ASN A 64 2.352 -5.200 16.272 1.00 0.92 N ATOM 446 CA ASN A 64 0.955 -5.167 16.719 1.00 1.00 C ATOM 447 C ASN A 64 0.017 -5.505 15.559 1.00 0.91 C ATOM 448 O ASN A 64 -1.164 -5.165 15.577 1.00 0.97 O ATOM 449 CB ASN A 64 0.592 -3.790 17.312 1.00 1.05 C ATOM 450 CG ASN A 64 1.542 -3.335 18.408 1.00 1.25 C ATOM 451 OD1 ASN A 64 2.143 -4.278 19.116 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 1.743 -2.140 18.610 1.00 1.61 N flip ATOM 0 H ASN A 64 2.892 -5.971 16.665 1.00 0.92 H new ATOM 0 HA ASN A 64 0.835 -5.916 17.502 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.589 -3.048 16.513 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -0.421 -3.831 17.713 1.00 1.05 H new ATOM 0 HD21 ASN A 64 1.263 -1.439 18.045 1.00 1.61 H new ATOM 0 HD22 ASN A 64 2.390 -1.848 19.342 1.00 1.61 H new ATOM 459 N GLY A 65 0.548 -6.207 14.563 1.00 0.83 N ATOM 460 CA GLY A 65 -0.243 -6.560 13.400 1.00 0.78 C ATOM 461 C GLY A 65 -0.107 -5.548 12.279 1.00 0.59 C ATOM 462 O GLY A 65 -0.772 -5.664 11.252 1.00 0.59 O ATOM 0 H GLY A 65 1.513 -6.538 14.541 1.00 0.83 H new ATOM 0 HA2 GLY A 65 0.065 -7.541 13.039 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -1.291 -6.641 13.688 1.00 0.78 H new ATOM 466 N LYS A 66 0.754 -4.559 12.473 1.00 0.51 N ATOM 467 CA LYS A 66 1.000 -3.536 11.463 1.00 0.40 C ATOM 468 C LYS A 66 2.508 -3.338 11.313 1.00 0.36 C ATOM 469 O LYS A 66 3.204 -3.130 12.304 1.00 0.55 O ATOM 470 CB LYS A 66 0.331 -2.223 11.892 1.00 0.52 C ATOM 471 CG LYS A 66 0.136 -1.218 10.772 1.00 0.70 C ATOM 472 CD LYS A 66 -0.214 0.155 11.324 1.00 0.74 C ATOM 473 CE LYS A 66 -1.676 0.300 11.706 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.588 0.195 10.536 1.00 0.97 N ATOM 0 H LYS A 66 1.299 -4.442 13.328 1.00 0.51 H new ATOM 0 HA LYS A 66 0.581 -3.847 10.506 1.00 0.40 H new ATOM 0 HB2 LYS A 66 -0.640 -2.452 12.330 1.00 0.52 H new ATOM 0 HB3 LYS A 66 0.933 -1.762 12.675 1.00 0.52 H new ATOM 0 HG2 LYS A 66 1.046 -1.152 10.175 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -0.657 -1.559 10.107 1.00 0.70 H new ATOM 0 HD2 LYS A 66 0.404 0.354 12.200 1.00 0.74 H new ATOM 0 HD3 LYS A 66 0.036 0.911 10.580 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -1.935 -0.469 12.434 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -1.826 1.263 12.193 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.454 0.741 10.721 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -2.114 0.573 9.691 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.835 -0.803 10.377 1.00 0.97 H new ATOM 488 N ILE A 67 3.028 -3.430 10.099 1.00 0.30 N ATOM 489 CA ILE A 67 4.466 -3.280 9.906 1.00 0.29 C ATOM 490 C ILE A 67 4.828 -1.814 9.721 1.00 0.28 C ATOM 491 O ILE A 67 4.024 -1.019 9.233 1.00 0.37 O ATOM 492 CB ILE A 67 5.014 -4.099 8.712 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.377 -3.652 7.395 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.787 -5.584 8.933 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.934 -4.362 6.179 1.00 0.31 C ATOM 0 H ILE A 67 2.492 -3.604 9.249 1.00 0.30 H new ATOM 0 HA ILE A 67 4.933 -3.674 10.809 1.00 0.29 H new ATOM 0 HB ILE A 67 6.087 -3.916 8.647 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.302 -3.824 7.445 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.523 -2.578 7.277 1.00 0.29 H new ATOM 0 HG21 ILE A 67 5.179 -6.142 8.083 1.00 0.32 H new ATOM 0 HG22 ILE A 67 5.300 -5.899 9.842 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.719 -5.778 9.033 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.435 -3.994 5.282 1.00 0.31 H new ATOM 0 HD12 ILE A 67 6.004 -4.170 6.104 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.764 -5.434 6.274 1.00 0.31 H new ATOM 507 N THR A 68 6.037 -1.458 10.115 1.00 0.28 N ATOM 508 CA THR A 68 6.475 -0.078 10.050 1.00 0.26 C ATOM 509 C THR A 68 7.141 0.211 8.710 1.00 0.25 C ATOM 510 O THR A 68 7.309 -0.690 7.883 1.00 0.31 O ATOM 511 CB THR A 68 7.462 0.250 11.187 1.00 0.31 C ATOM 512 OG1 THR A 68 8.634 -0.569 11.075 1.00 1.31 O ATOM 513 CG2 THR A 68 6.813 0.031 12.548 1.00 1.12 C ATOM 0 H THR A 68 6.733 -2.107 10.483 1.00 0.28 H new ATOM 0 HA THR A 68 5.590 0.549 10.160 1.00 0.26 H new ATOM 0 HB THR A 68 7.744 1.299 11.100 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.401 -1.416 10.641 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.529 0.269 13.335 1.00 1.12 H new ATOM 0 HG22 THR A 68 5.941 0.678 12.643 1.00 1.12 H new ATOM 0 HG23 THR A 68 6.505 -1.010 12.641 1.00 1.12 H new ATOM 521 N GLY A 69 7.539 1.461 8.509 1.00 0.24 N ATOM 522 CA GLY A 69 8.213 1.834 7.283 1.00 0.26 C ATOM 523 C GLY A 69 9.580 1.191 7.166 1.00 0.25 C ATOM 524 O GLY A 69 10.147 1.129 6.082 1.00 0.33 O ATOM 0 H GLY A 69 7.406 2.223 9.174 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.601 1.541 6.430 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.318 2.918 7.243 1.00 0.26 H new ATOM 528 N ALA A 70 10.099 0.697 8.285 1.00 0.23 N ATOM 529 CA ALA A 70 11.399 0.044 8.312 1.00 0.24 C ATOM 530 C ALA A 70 11.336 -1.292 7.587 1.00 0.22 C ATOM 531 O ALA A 70 12.026 -1.507 6.594 1.00 0.25 O ATOM 532 CB ALA A 70 11.860 -0.142 9.753 1.00 0.27 C ATOM 0 H ALA A 70 9.633 0.738 9.191 1.00 0.23 H new ATOM 0 HA ALA A 70 12.123 0.675 7.797 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.834 -0.632 9.763 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.938 0.831 10.239 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.138 -0.758 10.289 1.00 0.27 H new ATOM 538 N ASN A 71 10.471 -2.167 8.075 1.00 0.29 N ATOM 539 CA ASN A 71 10.331 -3.514 7.527 1.00 0.32 C ATOM 540 C ASN A 71 9.864 -3.446 6.085 1.00 0.24 C ATOM 541 O ASN A 71 10.385 -4.143 5.208 1.00 0.20 O ATOM 542 CB ASN A 71 9.326 -4.314 8.363 1.00 0.48 C ATOM 543 CG ASN A 71 9.247 -3.806 9.789 1.00 0.69 C ATOM 544 OD1 ASN A 71 8.324 -3.074 10.151 1.00 1.79 O ATOM 545 ND2 ASN A 71 10.241 -4.136 10.588 1.00 0.71 N ATOM 0 H ASN A 71 9.848 -1.969 8.858 1.00 0.29 H new ATOM 0 HA ASN A 71 11.301 -4.011 7.560 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.341 -4.254 7.901 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.613 -5.366 8.367 1.00 0.48 H new ATOM 0 HD21 ASN A 71 10.265 -3.783 11.545 1.00 0.71 H new ATOM 0 HD22 ASN A 71 10.986 -4.745 10.250 1.00 0.71 H new ATOM 552 N ALA A 72 8.896 -2.577 5.850 1.00 0.26 N ATOM 553 CA ALA A 72 8.337 -2.388 4.521 1.00 0.26 C ATOM 554 C ALA A 72 9.400 -1.922 3.533 1.00 0.20 C ATOM 555 O ALA A 72 9.520 -2.472 2.443 1.00 0.21 O ATOM 556 CB ALA A 72 7.195 -1.391 4.566 1.00 0.32 C ATOM 0 H ALA A 72 8.477 -1.986 6.568 1.00 0.26 H new ATOM 0 HA ALA A 72 7.957 -3.351 4.180 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.787 -1.260 3.564 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.414 -1.762 5.230 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.562 -0.434 4.936 1.00 0.32 H new ATOM 562 N LYS A 73 10.186 -0.924 3.927 1.00 0.19 N ATOM 563 CA LYS A 73 11.178 -0.342 3.031 1.00 0.17 C ATOM 564 C LYS A 73 12.289 -1.347 2.754 1.00 0.18 C ATOM 565 O LYS A 73 12.830 -1.393 1.650 1.00 0.20 O ATOM 566 CB LYS A 73 11.738 0.953 3.628 1.00 0.19 C ATOM 567 CG LYS A 73 12.432 1.855 2.621 1.00 0.31 C ATOM 568 CD LYS A 73 13.935 1.642 2.600 1.00 0.58 C ATOM 569 CE LYS A 73 14.603 2.509 1.542 1.00 0.91 C ATOM 570 NZ LYS A 73 14.487 3.959 1.833 1.00 1.36 N ATOM 0 H LYS A 73 10.155 -0.504 4.856 1.00 0.19 H new ATOM 0 HA LYS A 73 10.700 -0.096 2.083 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.923 1.507 4.094 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.444 0.700 4.419 1.00 0.19 H new ATOM 0 HG2 LYS A 73 12.026 1.667 1.627 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.218 2.897 2.861 1.00 0.31 H new ATOM 0 HD2 LYS A 73 14.351 1.876 3.580 1.00 0.58 H new ATOM 0 HD3 LYS A 73 14.153 0.592 2.403 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.657 2.240 1.470 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.154 2.300 0.571 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 14.301 4.476 0.950 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 13.704 4.118 2.499 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.374 4.301 2.254 1.00 1.36 H new ATOM 584 N LYS A 74 12.614 -2.156 3.757 1.00 0.20 N ATOM 585 CA LYS A 74 13.573 -3.244 3.584 1.00 0.23 C ATOM 586 C LYS A 74 13.108 -4.198 2.482 1.00 0.20 C ATOM 587 O LYS A 74 13.879 -4.571 1.590 1.00 0.22 O ATOM 588 CB LYS A 74 13.748 -4.010 4.897 1.00 0.31 C ATOM 589 CG LYS A 74 14.432 -3.207 5.997 1.00 1.15 C ATOM 590 CD LYS A 74 14.393 -3.942 7.331 1.00 1.35 C ATOM 591 CE LYS A 74 15.175 -5.243 7.288 1.00 1.67 C ATOM 592 NZ LYS A 74 14.919 -6.079 8.490 1.00 2.48 N ATOM 0 H LYS A 74 12.228 -2.080 4.698 1.00 0.20 H new ATOM 0 HA LYS A 74 14.532 -2.814 3.294 1.00 0.23 H new ATOM 0 HB2 LYS A 74 12.769 -4.331 5.251 1.00 0.31 H new ATOM 0 HB3 LYS A 74 14.329 -4.912 4.705 1.00 0.31 H new ATOM 0 HG2 LYS A 74 15.468 -3.013 5.717 1.00 1.15 H new ATOM 0 HG3 LYS A 74 13.943 -2.238 6.100 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.802 -3.299 8.111 1.00 1.35 H new ATOM 0 HD3 LYS A 74 13.357 -4.150 7.600 1.00 1.35 H new ATOM 0 HE2 LYS A 74 14.903 -5.801 6.392 1.00 1.67 H new ATOM 0 HE3 LYS A 74 16.241 -5.025 7.217 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 15.470 -6.959 8.425 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 15.202 -5.556 9.343 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 13.906 -6.308 8.544 1.00 2.48 H new ATOM 606 N GLU A 75 11.839 -4.574 2.540 1.00 0.21 N ATOM 607 CA GLU A 75 11.252 -5.435 1.526 1.00 0.22 C ATOM 608 C GLU A 75 11.248 -4.728 0.168 1.00 0.20 C ATOM 609 O GLU A 75 11.639 -5.304 -0.847 1.00 0.24 O ATOM 610 CB GLU A 75 9.827 -5.819 1.941 1.00 0.29 C ATOM 611 CG GLU A 75 9.089 -6.699 0.942 1.00 0.33 C ATOM 612 CD GLU A 75 9.791 -8.017 0.671 1.00 1.30 C ATOM 613 OE1 GLU A 75 10.020 -8.783 1.633 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.131 -8.290 -0.496 1.00 1.35 O ATOM 0 H GLU A 75 11.195 -4.295 3.281 1.00 0.21 H new ATOM 0 HA GLU A 75 11.849 -6.342 1.434 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.869 -6.337 2.899 1.00 0.29 H new ATOM 0 HB3 GLU A 75 9.250 -4.907 2.097 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.086 -6.900 1.317 1.00 0.33 H new ATOM 0 HG3 GLU A 75 8.976 -6.156 0.004 1.00 0.33 H new ATOM 621 N MET A 76 10.852 -3.461 0.175 1.00 0.19 N ATOM 622 CA MET A 76 10.705 -2.687 -1.055 1.00 0.20 C ATOM 623 C MET A 76 12.049 -2.430 -1.741 1.00 0.22 C ATOM 624 O MET A 76 12.106 -2.276 -2.960 1.00 0.29 O ATOM 625 CB MET A 76 9.988 -1.365 -0.765 1.00 0.22 C ATOM 626 CG MET A 76 8.582 -1.569 -0.227 1.00 0.24 C ATOM 627 SD MET A 76 7.741 -0.035 0.202 1.00 0.39 S ATOM 628 CE MET A 76 7.394 0.628 -1.422 1.00 0.51 C ATOM 0 H MET A 76 10.625 -2.943 1.024 1.00 0.19 H new ATOM 0 HA MET A 76 10.102 -3.279 -1.744 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.569 -0.791 -0.043 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.941 -0.773 -1.679 1.00 0.22 H new ATOM 0 HG2 MET A 76 7.991 -2.101 -0.973 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.629 -2.206 0.656 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.054 1.473 -1.619 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.559 -0.144 -2.173 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.357 0.961 -1.465 1.00 0.51 H new ATOM 638 N VAL A 77 13.133 -2.382 -0.975 1.00 0.20 N ATOM 639 CA VAL A 77 14.448 -2.220 -1.584 1.00 0.26 C ATOM 640 C VAL A 77 14.979 -3.556 -2.077 1.00 0.27 C ATOM 641 O VAL A 77 15.800 -3.603 -2.993 1.00 0.32 O ATOM 642 CB VAL A 77 15.485 -1.563 -0.653 1.00 0.37 C ATOM 643 CG1 VAL A 77 15.053 -0.157 -0.295 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.721 -2.386 0.601 1.00 0.96 C ATOM 0 H VAL A 77 13.131 -2.451 0.043 1.00 0.20 H new ATOM 0 HA VAL A 77 14.303 -1.541 -2.424 1.00 0.26 H new ATOM 0 HB VAL A 77 16.431 -1.516 -1.193 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.795 0.295 0.363 1.00 1.34 H new ATOM 0 HG12 VAL A 77 14.963 0.438 -1.204 1.00 1.34 H new ATOM 0 HG13 VAL A 77 14.089 -0.191 0.214 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.459 -1.888 1.230 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.785 -2.488 1.151 1.00 0.96 H new ATOM 0 HG23 VAL A 77 16.089 -3.374 0.324 1.00 0.96 H new ATOM 654 N LYS A 78 14.506 -4.644 -1.479 1.00 0.27 N ATOM 655 CA LYS A 78 14.825 -5.970 -1.978 1.00 0.32 C ATOM 656 C LYS A 78 14.020 -6.274 -3.239 1.00 0.32 C ATOM 657 O LYS A 78 14.299 -7.243 -3.947 1.00 0.40 O ATOM 658 CB LYS A 78 14.588 -7.019 -0.896 1.00 0.43 C ATOM 659 CG LYS A 78 15.661 -6.992 0.179 1.00 0.59 C ATOM 660 CD LYS A 78 15.350 -7.937 1.326 1.00 0.83 C ATOM 661 CE LYS A 78 16.568 -8.151 2.217 1.00 1.36 C ATOM 662 NZ LYS A 78 17.203 -6.870 2.629 1.00 2.20 N ATOM 0 H LYS A 78 13.905 -4.631 -0.655 1.00 0.27 H new ATOM 0 HA LYS A 78 15.882 -6.001 -2.244 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.613 -6.851 -0.438 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.559 -8.008 -1.353 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.621 -7.262 -0.262 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.761 -5.977 0.564 1.00 0.59 H new ATOM 0 HD2 LYS A 78 14.530 -7.533 1.920 1.00 0.83 H new ATOM 0 HD3 LYS A 78 15.015 -8.895 0.929 1.00 0.83 H new ATOM 0 HE2 LYS A 78 16.271 -8.708 3.106 1.00 1.36 H new ATOM 0 HE3 LYS A 78 17.299 -8.762 1.687 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 17.867 -7.047 3.410 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 17.718 -6.463 1.822 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 16.469 -6.204 2.943 1.00 2.20 H new ATOM 676 N SER A 79 13.022 -5.431 -3.514 1.00 0.29 N ATOM 677 CA SER A 79 12.323 -5.449 -4.797 1.00 0.33 C ATOM 678 C SER A 79 13.234 -4.867 -5.884 1.00 0.33 C ATOM 679 O SER A 79 12.975 -5.019 -7.079 1.00 0.42 O ATOM 680 CB SER A 79 11.030 -4.632 -4.712 1.00 0.37 C ATOM 681 OG SER A 79 10.283 -4.966 -3.552 1.00 0.91 O ATOM 0 H SER A 79 12.680 -4.726 -2.861 1.00 0.29 H new ATOM 0 HA SER A 79 12.069 -6.479 -5.047 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.270 -3.569 -4.699 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.425 -4.812 -5.601 1.00 0.37 H new ATOM 0 HG SER A 79 9.664 -5.697 -3.760 1.00 0.91 H new ATOM 687 N LYS A 80 14.298 -4.194 -5.433 1.00 0.31 N ATOM 688 CA LYS A 80 15.323 -3.615 -6.303 1.00 0.35 C ATOM 689 C LYS A 80 14.769 -2.446 -7.119 1.00 0.31 C ATOM 690 O LYS A 80 15.243 -2.168 -8.223 1.00 0.38 O ATOM 691 CB LYS A 80 15.926 -4.681 -7.234 1.00 0.47 C ATOM 692 CG LYS A 80 16.401 -5.939 -6.512 1.00 0.63 C ATOM 693 CD LYS A 80 17.330 -5.618 -5.350 1.00 1.03 C ATOM 694 CE LYS A 80 18.660 -5.055 -5.816 1.00 1.56 C ATOM 695 NZ LYS A 80 19.508 -4.629 -4.672 1.00 2.37 N ATOM 0 H LYS A 80 14.472 -4.035 -4.441 1.00 0.31 H new ATOM 0 HA LYS A 80 16.115 -3.232 -5.660 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.181 -4.961 -7.979 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.767 -4.244 -7.773 1.00 0.47 H new ATOM 0 HG2 LYS A 80 15.537 -6.492 -6.143 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.917 -6.589 -7.219 1.00 0.63 H new ATOM 0 HD2 LYS A 80 16.846 -4.900 -4.688 1.00 1.03 H new ATOM 0 HD3 LYS A 80 17.505 -6.522 -4.767 1.00 1.03 H new ATOM 0 HE2 LYS A 80 19.189 -5.808 -6.401 1.00 1.56 H new ATOM 0 HE3 LYS A 80 18.484 -4.205 -6.475 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 20.408 -4.250 -5.029 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 19.014 -3.893 -4.129 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 19.696 -5.446 -4.056 1.00 2.37 H new ATOM 709 N LEU A 81 13.789 -1.746 -6.562 1.00 0.30 N ATOM 710 CA LEU A 81 13.198 -0.594 -7.235 1.00 0.32 C ATOM 711 C LEU A 81 13.689 0.706 -6.607 1.00 0.33 C ATOM 712 O LEU A 81 14.085 0.725 -5.443 1.00 0.35 O ATOM 713 CB LEU A 81 11.668 -0.656 -7.172 1.00 0.35 C ATOM 714 CG LEU A 81 11.032 -1.921 -7.755 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.522 -1.876 -7.598 1.00 1.35 C ATOM 716 CD2 LEU A 81 11.402 -2.088 -9.223 1.00 0.87 C ATOM 0 H LEU A 81 13.387 -1.954 -5.648 1.00 0.30 H new ATOM 0 HA LEU A 81 13.508 -0.620 -8.280 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.361 -0.564 -6.130 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.265 0.208 -7.700 1.00 0.35 H new ATOM 0 HG LEU A 81 11.418 -2.778 -7.204 1.00 0.47 H new ATOM 0 HD11 LEU A 81 9.085 -2.782 -8.017 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.268 -1.807 -6.540 1.00 1.35 H new ATOM 0 HD13 LEU A 81 9.127 -1.006 -8.123 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.938 -2.993 -9.614 1.00 0.87 H new ATOM 0 HD22 LEU A 81 11.048 -1.226 -9.788 1.00 0.87 H new ATOM 0 HD23 LEU A 81 12.485 -2.165 -9.319 1.00 0.87 H new ATOM 728 N PRO A 82 13.678 1.808 -7.378 1.00 0.34 N ATOM 729 CA PRO A 82 14.122 3.121 -6.896 1.00 0.38 C ATOM 730 C PRO A 82 13.187 3.704 -5.842 1.00 0.35 C ATOM 731 O PRO A 82 11.997 3.382 -5.812 1.00 0.35 O ATOM 732 CB PRO A 82 14.106 3.991 -8.157 1.00 0.41 C ATOM 733 CG PRO A 82 13.138 3.325 -9.069 1.00 0.44 C ATOM 734 CD PRO A 82 13.247 1.855 -8.785 1.00 0.36 C ATOM 0 HA PRO A 82 15.097 3.063 -6.412 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.797 5.011 -7.929 1.00 0.41 H new ATOM 0 HB3 PRO A 82 15.096 4.051 -8.608 1.00 0.41 H new ATOM 0 HG2 PRO A 82 12.124 3.683 -8.891 1.00 0.44 H new ATOM 0 HG3 PRO A 82 13.373 3.540 -10.112 1.00 0.44 H new ATOM 0 HD2 PRO A 82 12.294 1.346 -8.930 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.970 1.372 -9.443 1.00 0.36 H new ATOM 742 N ASN A 83 13.717 4.590 -5.004 1.00 0.35 N ATOM 743 CA ASN A 83 12.937 5.170 -3.914 1.00 0.37 C ATOM 744 C ASN A 83 11.806 6.046 -4.447 1.00 0.33 C ATOM 745 O ASN A 83 10.800 6.239 -3.772 1.00 0.34 O ATOM 746 CB ASN A 83 13.822 5.991 -2.963 1.00 0.47 C ATOM 747 CG ASN A 83 14.786 5.139 -2.157 1.00 1.11 C ATOM 748 OD1 ASN A 83 14.437 4.611 -1.097 1.00 1.94 O ATOM 749 ND2 ASN A 83 16.016 5.033 -2.633 1.00 1.73 N ATOM 0 H ASN A 83 14.680 4.922 -5.058 1.00 0.35 H new ATOM 0 HA ASN A 83 12.505 4.339 -3.357 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.389 6.719 -3.543 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.186 6.553 -2.280 1.00 0.47 H new ATOM 0 HD21 ASN A 83 16.717 4.499 -2.120 1.00 1.73 H new ATOM 0 HD22 ASN A 83 16.263 5.485 -3.513 1.00 1.73 H new ATOM 756 N THR A 84 11.973 6.573 -5.654 1.00 0.35 N ATOM 757 CA THR A 84 10.940 7.385 -6.280 1.00 0.39 C ATOM 758 C THR A 84 9.678 6.558 -6.525 1.00 0.32 C ATOM 759 O THR A 84 8.576 6.935 -6.099 1.00 0.33 O ATOM 760 CB THR A 84 11.441 7.977 -7.608 1.00 0.48 C ATOM 761 OG1 THR A 84 12.719 8.597 -7.404 1.00 1.02 O ATOM 762 CG2 THR A 84 10.453 8.994 -8.162 1.00 1.04 C ATOM 0 H THR A 84 12.814 6.452 -6.218 1.00 0.35 H new ATOM 0 HA THR A 84 10.700 8.202 -5.600 1.00 0.39 H new ATOM 0 HB THR A 84 11.536 7.169 -8.333 1.00 0.48 H new ATOM 0 HG1 THR A 84 13.039 8.973 -8.251 1.00 1.02 H new ATOM 0 HG21 THR A 84 10.833 9.396 -9.101 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.492 8.510 -8.337 1.00 1.04 H new ATOM 0 HG23 THR A 84 10.325 9.805 -7.445 1.00 1.04 H new ATOM 770 N VAL A 85 9.846 5.416 -7.188 1.00 0.30 N ATOM 771 CA VAL A 85 8.730 4.520 -7.445 1.00 0.28 C ATOM 772 C VAL A 85 8.163 4.012 -6.128 1.00 0.22 C ATOM 773 O VAL A 85 6.955 4.027 -5.919 1.00 0.20 O ATOM 774 CB VAL A 85 9.147 3.320 -8.323 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.984 2.363 -8.532 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.687 3.794 -9.661 1.00 0.41 C ATOM 0 H VAL A 85 10.742 5.094 -7.554 1.00 0.30 H new ATOM 0 HA VAL A 85 7.971 5.085 -7.986 1.00 0.28 H new ATOM 0 HB VAL A 85 9.938 2.784 -7.799 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.307 1.528 -9.154 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.644 1.987 -7.567 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.166 2.887 -9.025 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.975 2.932 -10.263 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.917 4.361 -10.184 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.558 4.429 -9.498 1.00 0.41 H new ATOM 786 N LEU A 86 9.048 3.592 -5.232 1.00 0.24 N ATOM 787 CA LEU A 86 8.632 3.102 -3.923 1.00 0.25 C ATOM 788 C LEU A 86 7.873 4.176 -3.140 1.00 0.21 C ATOM 789 O LEU A 86 6.908 3.879 -2.435 1.00 0.23 O ATOM 790 CB LEU A 86 9.849 2.646 -3.122 1.00 0.33 C ATOM 791 CG LEU A 86 10.678 1.531 -3.768 1.00 0.37 C ATOM 792 CD1 LEU A 86 11.852 1.149 -2.878 1.00 0.44 C ATOM 793 CD2 LEU A 86 9.815 0.313 -4.061 1.00 0.37 C ATOM 0 H LEU A 86 10.056 3.581 -5.387 1.00 0.24 H new ATOM 0 HA LEU A 86 7.962 2.257 -4.081 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.496 3.507 -2.954 1.00 0.33 H new ATOM 0 HB3 LEU A 86 9.512 2.305 -2.143 1.00 0.33 H new ATOM 0 HG LEU A 86 11.069 1.907 -4.713 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.427 0.356 -3.355 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.491 2.019 -2.725 1.00 0.44 H new ATOM 0 HD13 LEU A 86 11.480 0.798 -1.915 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.426 -0.464 -4.519 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.388 -0.062 -3.131 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.012 0.592 -4.743 1.00 0.37 H new ATOM 805 N GLY A 87 8.317 5.422 -3.274 1.00 0.21 N ATOM 806 CA GLY A 87 7.693 6.527 -2.569 1.00 0.22 C ATOM 807 C GLY A 87 6.264 6.763 -3.003 1.00 0.21 C ATOM 808 O GLY A 87 5.372 6.908 -2.161 1.00 0.23 O ATOM 0 H GLY A 87 9.105 5.687 -3.864 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.715 6.328 -1.498 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.274 7.434 -2.737 1.00 0.22 H new ATOM 812 N LYS A 88 6.025 6.793 -4.315 1.00 0.22 N ATOM 813 CA LYS A 88 4.670 6.992 -4.816 1.00 0.29 C ATOM 814 C LYS A 88 3.800 5.787 -4.450 1.00 0.22 C ATOM 815 O LYS A 88 2.608 5.938 -4.161 1.00 0.24 O ATOM 816 CB LYS A 88 4.666 7.256 -6.335 1.00 0.48 C ATOM 817 CG LYS A 88 5.184 6.106 -7.184 1.00 0.97 C ATOM 818 CD LYS A 88 5.407 6.530 -8.628 1.00 0.80 C ATOM 819 CE LYS A 88 4.107 6.918 -9.320 1.00 1.23 C ATOM 820 NZ LYS A 88 4.347 7.429 -10.698 1.00 1.71 N ATOM 0 H LYS A 88 6.739 6.684 -5.036 1.00 0.22 H new ATOM 0 HA LYS A 88 4.248 7.878 -4.342 1.00 0.29 H new ATOM 0 HB2 LYS A 88 3.648 7.489 -6.646 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.271 8.140 -6.537 1.00 0.48 H new ATOM 0 HG2 LYS A 88 6.120 5.736 -6.764 1.00 0.97 H new ATOM 0 HG3 LYS A 88 4.472 5.281 -7.153 1.00 0.97 H new ATOM 0 HD2 LYS A 88 6.097 7.373 -8.655 1.00 0.80 H new ATOM 0 HD3 LYS A 88 5.879 5.714 -9.176 1.00 0.80 H new ATOM 0 HE2 LYS A 88 3.445 6.053 -9.363 1.00 1.23 H new ATOM 0 HE3 LYS A 88 3.596 7.681 -8.733 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 3.662 6.999 -11.352 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 4.235 8.463 -10.709 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 5.312 7.182 -10.997 1.00 1.71 H new ATOM 834 N ILE A 89 4.413 4.597 -4.421 1.00 0.20 N ATOM 835 CA ILE A 89 3.720 3.394 -3.974 1.00 0.20 C ATOM 836 C ILE A 89 3.200 3.597 -2.562 1.00 0.19 C ATOM 837 O ILE A 89 2.028 3.374 -2.283 1.00 0.21 O ATOM 838 CB ILE A 89 4.635 2.146 -3.989 1.00 0.23 C ATOM 839 CG1 ILE A 89 5.084 1.820 -5.412 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.918 0.949 -3.379 1.00 0.22 C ATOM 841 CD1 ILE A 89 6.063 0.668 -5.497 1.00 0.40 C ATOM 0 H ILE A 89 5.382 4.447 -4.701 1.00 0.20 H new ATOM 0 HA ILE A 89 2.899 3.222 -4.670 1.00 0.20 H new ATOM 0 HB ILE A 89 5.518 2.368 -3.390 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.207 1.584 -6.014 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.542 2.707 -5.850 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.577 0.081 -3.399 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.646 1.175 -2.348 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.017 0.733 -3.953 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.334 0.497 -6.539 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.958 0.908 -4.923 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.602 -0.232 -5.090 1.00 0.40 H new ATOM 853 N TRP A 90 4.084 4.055 -1.688 1.00 0.19 N ATOM 854 CA TRP A 90 3.749 4.272 -0.291 1.00 0.22 C ATOM 855 C TRP A 90 2.601 5.264 -0.149 1.00 0.24 C ATOM 856 O TRP A 90 1.626 4.998 0.542 1.00 0.28 O ATOM 857 CB TRP A 90 4.971 4.787 0.468 1.00 0.25 C ATOM 858 CG TRP A 90 4.729 4.937 1.937 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.127 5.988 2.568 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.085 4.001 2.957 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.076 5.758 3.919 1.00 0.46 N ATOM 862 CE2 TRP A 90 4.657 4.545 4.183 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.717 2.752 2.958 1.00 0.16 C ATOM 864 CZ2 TRP A 90 4.844 3.888 5.387 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.901 2.102 4.162 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.462 2.671 5.362 1.00 0.19 C ATOM 0 H TRP A 90 5.049 4.285 -1.927 1.00 0.19 H new ATOM 0 HA TRP A 90 3.434 3.318 0.132 1.00 0.22 H new ATOM 0 HB2 TRP A 90 5.804 4.102 0.311 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.269 5.751 0.055 1.00 0.25 H new ATOM 0 HD1 TRP A 90 3.747 6.871 2.075 1.00 0.45 H new ATOM 0 HE1 TRP A 90 3.672 6.386 4.613 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.054 2.305 2.034 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.511 4.325 6.317 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.391 1.140 4.178 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.615 2.137 6.288 1.00 0.19 H new ATOM 877 N LYS A 91 2.717 6.405 -0.818 1.00 0.24 N ATOM 878 CA LYS A 91 1.734 7.475 -0.673 1.00 0.30 C ATOM 879 C LYS A 91 0.358 7.070 -1.201 1.00 0.29 C ATOM 880 O LYS A 91 -0.647 7.688 -0.851 1.00 0.36 O ATOM 881 CB LYS A 91 2.214 8.748 -1.373 1.00 0.40 C ATOM 882 CG LYS A 91 3.536 9.268 -0.833 1.00 0.53 C ATOM 883 CD LYS A 91 3.887 10.637 -1.394 1.00 1.04 C ATOM 884 CE LYS A 91 3.216 11.768 -0.621 1.00 1.51 C ATOM 885 NZ LYS A 91 1.732 11.760 -0.750 1.00 2.40 N ATOM 0 H LYS A 91 3.478 6.614 -1.464 1.00 0.24 H new ATOM 0 HA LYS A 91 1.631 7.671 0.394 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.318 8.551 -2.440 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.455 9.523 -1.264 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.485 9.325 0.254 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.330 8.562 -1.078 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.968 10.772 -1.366 1.00 1.04 H new ATOM 0 HD3 LYS A 91 3.586 10.687 -2.441 1.00 1.04 H new ATOM 0 HE2 LYS A 91 3.484 11.690 0.433 1.00 1.51 H new ATOM 0 HE3 LYS A 91 3.601 12.723 -0.978 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 1.363 12.717 -0.575 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 1.469 11.457 -1.709 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 1.327 11.101 -0.055 1.00 2.40 H new ATOM 899 N LEU A 92 0.317 6.056 -2.054 1.00 0.27 N ATOM 900 CA LEU A 92 -0.954 5.529 -2.548 1.00 0.32 C ATOM 901 C LEU A 92 -1.438 4.357 -1.699 1.00 0.30 C ATOM 902 O LEU A 92 -2.637 4.187 -1.483 1.00 0.43 O ATOM 903 CB LEU A 92 -0.804 5.067 -3.993 1.00 0.40 C ATOM 904 CG LEU A 92 -0.496 6.164 -5.004 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.105 5.547 -6.245 1.00 0.85 C ATOM 906 CD2 LEU A 92 -1.756 6.947 -5.348 1.00 1.08 C ATOM 0 H LEU A 92 1.143 5.582 -2.419 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.689 6.332 -2.487 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -0.009 4.323 -4.037 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.725 4.568 -4.294 1.00 0.40 H new ATOM 0 HG LEU A 92 0.220 6.861 -4.569 1.00 0.59 H new ATOM 0 HD11 LEU A 92 0.326 6.330 -6.970 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.025 5.025 -5.983 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.602 4.840 -6.679 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -1.514 7.726 -6.071 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -2.498 6.273 -5.775 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -2.159 7.404 -4.444 1.00 1.08 H new ATOM 918 N ALA A 93 -0.496 3.553 -1.225 1.00 0.22 N ATOM 919 CA ALA A 93 -0.820 2.316 -0.530 1.00 0.21 C ATOM 920 C ALA A 93 -1.053 2.540 0.956 1.00 0.19 C ATOM 921 O ALA A 93 -1.611 1.677 1.638 1.00 0.30 O ATOM 922 CB ALA A 93 0.289 1.296 -0.730 1.00 0.23 C ATOM 0 H ALA A 93 0.504 3.737 -1.310 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.748 1.937 -0.958 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.035 0.375 -0.205 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.404 1.088 -1.794 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.224 1.693 -0.335 1.00 0.23 H new ATOM 928 N ASP A 94 -0.619 3.684 1.467 1.00 0.18 N ATOM 929 CA ASP A 94 -0.791 3.975 2.893 1.00 0.18 C ATOM 930 C ASP A 94 -2.223 4.434 3.159 1.00 0.33 C ATOM 931 O ASP A 94 -2.514 5.627 3.247 1.00 0.45 O ATOM 932 CB ASP A 94 0.220 5.016 3.401 1.00 0.30 C ATOM 933 CG ASP A 94 0.302 5.074 4.923 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.104 4.093 5.598 1.00 0.30 O ATOM 935 OD2 ASP A 94 0.786 6.089 5.461 1.00 0.31 O ATOM 0 H ASP A 94 -0.153 4.417 0.932 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.599 3.055 3.446 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.206 4.784 2.998 1.00 0.30 H new ATOM 0 HB3 ASP A 94 -0.057 5.999 3.020 1.00 0.30 H new ATOM 940 N VAL A 95 -3.110 3.450 3.254 1.00 0.51 N ATOM 941 CA VAL A 95 -4.540 3.662 3.441 1.00 0.71 C ATOM 942 C VAL A 95 -4.846 4.450 4.717 1.00 0.72 C ATOM 943 O VAL A 95 -5.669 5.373 4.707 1.00 0.80 O ATOM 944 CB VAL A 95 -5.276 2.305 3.484 1.00 0.97 C ATOM 945 CG1 VAL A 95 -6.762 2.489 3.720 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.029 1.535 2.198 1.00 0.95 C ATOM 0 H VAL A 95 -2.850 2.465 3.202 1.00 0.51 H new ATOM 0 HA VAL A 95 -4.892 4.251 2.594 1.00 0.71 H new ATOM 0 HB VAL A 95 -4.879 1.731 4.321 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -7.250 1.515 3.745 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -6.919 2.998 4.671 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -7.187 3.087 2.914 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -5.553 0.580 2.239 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -5.397 2.114 1.351 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -3.960 1.358 2.080 1.00 0.95 H new ATOM 956 N ASP A 96 -4.185 4.085 5.809 1.00 0.70 N ATOM 957 CA ASP A 96 -4.380 4.769 7.083 1.00 0.78 C ATOM 958 C ASP A 96 -3.778 6.160 7.025 1.00 0.75 C ATOM 959 O ASP A 96 -4.199 7.058 7.759 1.00 0.88 O ATOM 960 CB ASP A 96 -3.687 4.041 8.237 1.00 0.96 C ATOM 961 CG ASP A 96 -4.186 2.641 8.516 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.303 2.497 9.052 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.428 1.682 8.248 1.00 1.12 O ATOM 0 H ASP A 96 -3.510 3.321 5.839 1.00 0.70 H new ATOM 0 HA ASP A 96 -5.456 4.799 7.255 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.619 3.992 8.024 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.804 4.637 9.142 1.00 0.96 H new ATOM 968 N LYS A 97 -2.801 6.321 6.133 1.00 0.66 N ATOM 969 CA LYS A 97 -1.958 7.513 6.093 1.00 0.70 C ATOM 970 C LYS A 97 -1.288 7.680 7.450 1.00 0.70 C ATOM 971 O LYS A 97 -1.327 8.749 8.061 1.00 0.86 O ATOM 972 CB LYS A 97 -2.773 8.757 5.726 1.00 0.86 C ATOM 973 CG LYS A 97 -3.790 8.497 4.632 1.00 0.89 C ATOM 974 CD LYS A 97 -4.168 9.773 3.904 1.00 1.15 C ATOM 975 CE LYS A 97 -5.309 9.545 2.925 1.00 1.38 C ATOM 976 NZ LYS A 97 -5.617 10.778 2.150 1.00 1.68 N ATOM 0 H LYS A 97 -2.573 5.629 5.419 1.00 0.66 H new ATOM 0 HA LYS A 97 -1.198 7.393 5.321 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -3.288 9.122 6.614 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -2.095 9.547 5.404 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -3.383 7.779 3.920 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -4.683 8.046 5.065 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -4.457 10.534 4.629 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -3.300 10.157 3.368 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -5.046 8.739 2.240 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -6.198 9.224 3.469 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -6.400 10.588 1.492 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -5.891 11.539 2.803 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -4.776 11.069 1.613 1.00 1.68 H new ATOM 990 N ASP A 98 -0.662 6.601 7.901 1.00 0.56 N ATOM 991 CA ASP A 98 -0.201 6.497 9.278 1.00 0.59 C ATOM 992 C ASP A 98 1.281 6.166 9.363 1.00 0.45 C ATOM 993 O ASP A 98 1.797 5.909 10.449 1.00 0.46 O ATOM 994 CB ASP A 98 -0.999 5.401 9.997 1.00 0.67 C ATOM 995 CG ASP A 98 -0.724 3.996 9.460 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.513 3.829 8.227 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.744 3.043 10.255 1.00 0.71 O ATOM 0 H ASP A 98 -0.461 5.781 7.329 1.00 0.56 H new ATOM 0 HA ASP A 98 -0.356 7.466 9.753 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.762 5.428 11.061 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -2.063 5.616 9.902 1.00 0.67 H new ATOM 1002 N GLY A 99 1.968 6.190 8.232 1.00 0.39 N ATOM 1003 CA GLY A 99 3.389 5.892 8.228 1.00 0.38 C ATOM 1004 C GLY A 99 3.677 4.419 8.369 1.00 0.29 C ATOM 1005 O GLY A 99 4.834 3.997 8.391 1.00 0.39 O ATOM 0 H GLY A 99 1.571 6.409 7.318 1.00 0.39 H new ATOM 0 HA2 GLY A 99 3.829 6.257 7.300 1.00 0.38 H new ATOM 0 HA3 GLY A 99 3.871 6.432 9.043 1.00 0.38 H new ATOM 1009 N LEU A 100 2.619 3.641 8.475 1.00 0.28 N ATOM 1010 CA LEU A 100 2.723 2.204 8.654 1.00 0.33 C ATOM 1011 C LEU A 100 2.062 1.514 7.486 1.00 0.29 C ATOM 1012 O LEU A 100 1.275 2.132 6.756 1.00 0.39 O ATOM 1013 CB LEU A 100 2.002 1.760 9.928 1.00 0.53 C ATOM 1014 CG LEU A 100 2.631 2.098 11.284 1.00 0.59 C ATOM 1015 CD1 LEU A 100 3.233 0.857 11.908 1.00 1.37 C ATOM 1016 CD2 LEU A 100 3.683 3.155 11.165 1.00 1.11 C ATOM 0 H LEU A 100 1.660 3.987 8.440 1.00 0.28 H new ATOM 0 HA LEU A 100 3.779 1.943 8.723 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.002 2.193 9.910 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.882 0.678 9.880 1.00 0.53 H new ATOM 0 HG LEU A 100 1.835 2.483 11.921 1.00 0.59 H new ATOM 0 HD11 LEU A 100 3.676 1.112 12.871 1.00 1.37 H new ATOM 0 HD12 LEU A 100 2.454 0.109 12.054 1.00 1.37 H new ATOM 0 HD13 LEU A 100 4.003 0.455 11.249 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.102 3.364 12.149 1.00 1.11 H new ATOM 0 HD22 LEU A 100 4.474 2.808 10.500 1.00 1.11 H new ATOM 0 HD23 LEU A 100 3.241 4.065 10.759 1.00 1.11 H new ATOM 1028 N LEU A 101 2.357 0.241 7.321 1.00 0.28 N ATOM 1029 CA LEU A 101 1.623 -0.572 6.384 1.00 0.27 C ATOM 1030 C LEU A 101 0.880 -1.659 7.134 1.00 0.27 C ATOM 1031 O LEU A 101 1.483 -2.568 7.698 1.00 0.31 O ATOM 1032 CB LEU A 101 2.544 -1.194 5.329 1.00 0.29 C ATOM 1033 CG LEU A 101 3.194 -0.205 4.359 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.957 -0.953 3.279 1.00 0.34 C ATOM 1035 CD2 LEU A 101 2.151 0.712 3.736 1.00 0.34 C ATOM 0 H LEU A 101 3.098 -0.248 7.823 1.00 0.28 H new ATOM 0 HA LEU A 101 0.913 0.069 5.861 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.332 -1.747 5.840 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.970 -1.919 4.752 1.00 0.29 H new ATOM 0 HG LEU A 101 3.895 0.413 4.920 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.415 -0.238 2.595 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.734 -1.564 3.739 1.00 0.34 H new ATOM 0 HD13 LEU A 101 3.271 -1.595 2.727 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.639 1.405 3.051 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.421 0.115 3.189 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.645 1.274 4.521 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.434 -1.531 7.169 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.292 -2.577 7.684 1.00 0.33 C ATOM 1049 C ASP A 102 -1.407 -3.683 6.653 1.00 0.26 C ATOM 1050 O ASP A 102 -0.748 -3.644 5.611 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.682 -2.030 8.008 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.379 -2.811 9.104 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -3.977 -3.860 8.807 1.00 1.39 O ATOM 1054 OD2 ASP A 102 -3.326 -2.367 10.268 1.00 1.06 O ATOM 0 H ASP A 102 -0.932 -0.703 6.843 1.00 0.28 H new ATOM 0 HA ASP A 102 -0.854 -2.968 8.602 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -2.595 -0.986 8.310 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.295 -2.051 7.107 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.256 -4.641 6.939 1.00 0.32 N ATOM 1060 CA ASP A 103 -2.458 -5.801 6.091 1.00 0.35 C ATOM 1061 C ASP A 103 -2.837 -5.387 4.665 1.00 0.26 C ATOM 1062 O ASP A 103 -2.260 -5.865 3.680 1.00 0.24 O ATOM 1063 CB ASP A 103 -3.579 -6.624 6.722 1.00 0.56 C ATOM 1064 CG ASP A 103 -4.152 -7.694 5.814 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -3.486 -8.724 5.592 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -5.300 -7.516 5.345 1.00 1.17 O ATOM 0 H ASP A 103 -2.836 -4.641 7.778 1.00 0.32 H new ATOM 0 HA ASP A 103 -1.538 -6.381 6.018 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -3.201 -7.097 7.628 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -4.382 -5.952 7.024 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.749 -4.432 4.569 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.277 -3.998 3.280 1.00 0.25 C ATOM 1073 C GLU A 104 -3.329 -3.009 2.614 1.00 0.22 C ATOM 1074 O GLU A 104 -3.217 -2.958 1.387 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.649 -3.364 3.486 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.455 -4.094 4.544 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.834 -3.503 4.763 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -7.930 -2.426 5.384 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.830 -4.126 4.334 1.00 1.38 O ATOM 0 H GLU A 104 -4.142 -3.939 5.371 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.373 -4.864 2.624 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.527 -2.321 3.778 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.197 -3.370 2.544 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.558 -5.140 4.255 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -5.906 -4.076 5.486 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.629 -2.240 3.437 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.688 -1.252 2.933 1.00 0.18 C ATOM 1088 C GLU A 105 -0.494 -1.940 2.287 1.00 0.17 C ATOM 1089 O GLU A 105 -0.087 -1.593 1.180 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.203 -0.347 4.057 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.318 0.303 4.853 1.00 0.24 C ATOM 1092 CD GLU A 105 -1.789 1.338 5.820 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.027 1.004 6.730 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.084 2.523 5.675 1.00 0.39 O ATOM 0 H GLU A 105 -2.695 -2.282 4.454 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.203 -0.646 2.188 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.579 -0.930 4.735 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.571 0.433 3.634 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.026 0.772 4.170 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -2.865 -0.462 5.403 1.00 0.24 H new ATOM 1101 N PHE A 106 0.053 -2.925 2.990 1.00 0.17 N ATOM 1102 CA PHE A 106 1.192 -3.680 2.496 1.00 0.18 C ATOM 1103 C PHE A 106 0.790 -4.481 1.269 1.00 0.18 C ATOM 1104 O PHE A 106 1.583 -4.651 0.337 1.00 0.21 O ATOM 1105 CB PHE A 106 1.734 -4.601 3.591 1.00 0.21 C ATOM 1106 CG PHE A 106 2.937 -5.396 3.177 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.116 -4.760 2.833 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.887 -6.777 3.136 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.225 -5.488 2.454 1.00 0.28 C ATOM 1110 CE2 PHE A 106 3.992 -7.512 2.759 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.158 -6.869 2.404 1.00 0.29 C ATOM 0 H PHE A 106 -0.278 -3.219 3.909 1.00 0.17 H new ATOM 0 HA PHE A 106 1.983 -2.985 2.213 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.991 -4.000 4.463 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.945 -5.288 3.898 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.169 -3.682 2.861 1.00 0.25 H new ATOM 0 HD2 PHE A 106 1.973 -7.286 3.402 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.143 -4.981 2.197 1.00 0.28 H new ATOM 0 HE2 PHE A 106 3.943 -8.591 2.742 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.017 -7.442 2.088 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.448 -4.963 1.268 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.991 -5.641 0.104 1.00 0.24 C ATOM 1123 C ALA A 107 -0.935 -4.734 -1.124 1.00 0.23 C ATOM 1124 O ALA A 107 -0.438 -5.134 -2.176 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.414 -6.093 0.377 1.00 0.34 C ATOM 0 H ALA A 107 -1.090 -4.896 2.058 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.382 -6.522 -0.101 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.810 -6.600 -0.503 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.422 -6.778 1.225 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.034 -5.226 0.606 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.422 -3.505 -0.979 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.383 -2.531 -2.066 1.00 0.28 C ATOM 1133 C LEU A 108 0.046 -2.238 -2.502 1.00 0.23 C ATOM 1134 O LEU A 108 0.337 -2.180 -3.700 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.073 -1.233 -1.647 1.00 0.38 C ATOM 1136 CG LEU A 108 -3.573 -1.170 -1.933 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -4.169 0.111 -1.370 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.821 -1.255 -3.433 1.00 1.31 C ATOM 0 H LEU A 108 -1.848 -3.160 -0.119 1.00 0.24 H new ATOM 0 HA LEU A 108 -1.915 -2.964 -2.913 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -1.917 -1.086 -0.578 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -1.587 -0.401 -2.157 1.00 0.38 H new ATOM 0 HG LEU A 108 -4.058 -2.017 -1.447 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -5.238 0.139 -1.583 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -4.013 0.142 -0.292 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -3.684 0.971 -1.832 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -4.892 -1.209 -3.628 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -3.326 -0.422 -3.931 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -3.422 -2.195 -3.815 1.00 1.31 H new ATOM 1150 N ALA A 109 0.931 -2.061 -1.529 1.00 0.23 N ATOM 1151 CA ALA A 109 2.330 -1.766 -1.813 1.00 0.24 C ATOM 1152 C ALA A 109 2.957 -2.849 -2.682 1.00 0.23 C ATOM 1153 O ALA A 109 3.467 -2.568 -3.770 1.00 0.24 O ATOM 1154 CB ALA A 109 3.121 -1.615 -0.523 1.00 0.27 C ATOM 0 H ALA A 109 0.705 -2.117 -0.536 1.00 0.23 H new ATOM 0 HA ALA A 109 2.362 -0.824 -2.360 1.00 0.24 H new ATOM 0 HB1 ALA A 109 4.162 -1.395 -0.758 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.702 -0.800 0.067 1.00 0.27 H new ATOM 0 HB3 ALA A 109 3.066 -2.542 0.048 1.00 0.27 H new ATOM 1160 N ASN A 110 2.900 -4.087 -2.204 1.00 0.24 N ATOM 1161 CA ASN A 110 3.476 -5.219 -2.928 1.00 0.26 C ATOM 1162 C ASN A 110 2.816 -5.399 -4.286 1.00 0.25 C ATOM 1163 O ASN A 110 3.461 -5.801 -5.257 1.00 0.26 O ATOM 1164 CB ASN A 110 3.340 -6.505 -2.109 1.00 0.28 C ATOM 1165 CG ASN A 110 4.525 -6.759 -1.193 1.00 0.31 C ATOM 1166 OD1 ASN A 110 5.213 -5.701 -0.799 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 4.827 -7.902 -0.856 1.00 0.55 N flip ATOM 0 H ASN A 110 2.461 -4.335 -1.317 1.00 0.24 H new ATOM 0 HA ASN A 110 4.533 -5.007 -3.086 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.431 -6.452 -1.510 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.226 -7.350 -2.788 1.00 0.28 H new ATOM 0 HD21 ASN A 110 4.271 -8.693 -1.181 1.00 0.55 H new ATOM 0 HD22 ASN A 110 5.633 -8.059 -0.252 1.00 0.55 H new ATOM 1174 N HIS A 111 1.528 -5.091 -4.350 1.00 0.24 N ATOM 1175 CA HIS A 111 0.786 -5.199 -5.593 1.00 0.26 C ATOM 1176 C HIS A 111 1.349 -4.245 -6.643 1.00 0.24 C ATOM 1177 O HIS A 111 1.632 -4.662 -7.760 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.700 -4.922 -5.361 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.545 -5.119 -6.585 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -1.996 -6.354 -7.013 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.010 -4.221 -7.484 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.691 -6.200 -8.131 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.713 -4.917 -8.432 1.00 0.73 N ATOM 0 H HIS A 111 0.978 -4.765 -3.555 1.00 0.24 H new ATOM 0 HA HIS A 111 0.892 -6.219 -5.964 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.064 -5.577 -4.569 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -0.819 -3.898 -5.008 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -1.855 -3.152 -7.459 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.159 -6.991 -8.698 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.179 -4.508 -9.242 1.00 0.73 H new ATOM 1192 N LEU A 112 1.518 -2.974 -6.284 1.00 0.24 N ATOM 1193 CA LEU A 112 2.031 -1.985 -7.230 1.00 0.23 C ATOM 1194 C LEU A 112 3.452 -2.344 -7.659 1.00 0.24 C ATOM 1195 O LEU A 112 3.821 -2.168 -8.821 1.00 0.27 O ATOM 1196 CB LEU A 112 1.998 -0.573 -6.632 1.00 0.23 C ATOM 1197 CG LEU A 112 0.638 -0.127 -6.084 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.762 1.207 -5.364 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.382 -0.027 -7.209 1.00 0.22 C ATOM 0 H LEU A 112 1.310 -2.607 -5.355 1.00 0.24 H new ATOM 0 HA LEU A 112 1.384 -1.995 -8.107 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.731 -0.520 -5.827 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.313 0.136 -7.398 1.00 0.23 H new ATOM 0 HG LEU A 112 0.295 -0.875 -5.369 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.214 1.507 -4.982 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.462 1.109 -4.534 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.127 1.963 -6.059 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.342 0.291 -6.802 1.00 0.22 H new ATOM 0 HD22 LEU A 112 -0.041 0.701 -7.946 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.494 -1.001 -7.686 1.00 0.22 H new ATOM 1211 N ILE A 113 4.232 -2.871 -6.719 1.00 0.28 N ATOM 1212 CA ILE A 113 5.584 -3.338 -7.015 1.00 0.32 C ATOM 1213 C ILE A 113 5.560 -4.391 -8.123 1.00 0.35 C ATOM 1214 O ILE A 113 6.302 -4.294 -9.104 1.00 0.38 O ATOM 1215 CB ILE A 113 6.265 -3.929 -5.757 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.429 -2.846 -4.686 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.614 -4.541 -6.110 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.971 -3.363 -3.371 1.00 0.43 C ATOM 0 H ILE A 113 3.951 -2.986 -5.745 1.00 0.28 H new ATOM 0 HA ILE A 113 6.160 -2.475 -7.349 1.00 0.32 H new ATOM 0 HB ILE A 113 5.629 -4.720 -5.359 1.00 0.37 H new ATOM 0 HG12 ILE A 113 7.097 -2.072 -5.064 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.463 -2.374 -4.509 1.00 0.37 H new ATOM 0 HG21 ILE A 113 8.074 -4.950 -5.211 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.472 -5.338 -6.840 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.262 -3.773 -6.533 1.00 0.46 H new ATOM 0 HD11 ILE A 113 7.059 -2.538 -2.664 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.293 -4.115 -2.968 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.953 -3.809 -3.532 1.00 0.43 H new ATOM 1230 N LYS A 114 4.681 -5.377 -7.988 1.00 0.38 N ATOM 1231 CA LYS A 114 4.623 -6.458 -8.960 1.00 0.46 C ATOM 1232 C LYS A 114 3.969 -5.988 -10.259 1.00 0.45 C ATOM 1233 O LYS A 114 4.223 -6.549 -11.314 1.00 0.49 O ATOM 1234 CB LYS A 114 3.909 -7.690 -8.385 1.00 0.57 C ATOM 1235 CG LYS A 114 2.399 -7.699 -8.560 1.00 0.71 C ATOM 1236 CD LYS A 114 1.813 -9.018 -8.079 1.00 0.79 C ATOM 1237 CE LYS A 114 0.411 -9.251 -8.617 1.00 1.39 C ATOM 1238 NZ LYS A 114 -0.086 -10.609 -8.263 1.00 1.81 N ATOM 0 H LYS A 114 4.008 -5.449 -7.225 1.00 0.38 H new ATOM 0 HA LYS A 114 5.646 -6.756 -9.191 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.319 -8.582 -8.858 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.137 -7.759 -7.321 1.00 0.57 H new ATOM 0 HG2 LYS A 114 1.958 -6.873 -8.002 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.148 -7.544 -9.609 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.461 -9.837 -8.391 1.00 0.79 H new ATOM 0 HD3 LYS A 114 1.789 -9.027 -6.989 1.00 0.79 H new ATOM 0 HE2 LYS A 114 -0.265 -8.497 -8.214 1.00 1.39 H new ATOM 0 HE3 LYS A 114 0.411 -9.132 -9.701 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 -0.590 -11.017 -9.076 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 0.718 -11.219 -8.013 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 -0.734 -10.541 -7.453 1.00 1.81 H new ATOM 1252 N VAL A 115 3.142 -4.941 -10.183 1.00 0.43 N ATOM 1253 CA VAL A 115 2.590 -4.319 -11.386 1.00 0.46 C ATOM 1254 C VAL A 115 3.725 -3.753 -12.233 1.00 0.43 C ATOM 1255 O VAL A 115 3.721 -3.860 -13.462 1.00 0.48 O ATOM 1256 CB VAL A 115 1.579 -3.190 -11.056 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.129 -2.467 -12.315 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.366 -3.746 -10.339 1.00 0.76 C ATOM 0 H VAL A 115 2.843 -4.511 -9.308 1.00 0.43 H new ATOM 0 HA VAL A 115 2.052 -5.091 -11.936 1.00 0.46 H new ATOM 0 HB VAL A 115 2.089 -2.480 -10.405 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.421 -1.682 -12.050 1.00 0.91 H new ATOM 0 HG12 VAL A 115 1.994 -2.024 -12.809 1.00 0.91 H new ATOM 0 HG13 VAL A 115 0.649 -3.176 -12.990 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.329 -2.936 -10.118 1.00 0.76 H new ATOM 0 HG22 VAL A 115 -0.126 -4.483 -10.974 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.679 -4.220 -9.409 1.00 0.76 H new ATOM 1268 N LYS A 116 4.709 -3.167 -11.562 1.00 0.40 N ATOM 1269 CA LYS A 116 5.893 -2.657 -12.238 1.00 0.41 C ATOM 1270 C LYS A 116 6.702 -3.813 -12.813 1.00 0.47 C ATOM 1271 O LYS A 116 7.261 -3.713 -13.904 1.00 0.54 O ATOM 1272 CB LYS A 116 6.762 -1.852 -11.269 1.00 0.39 C ATOM 1273 CG LYS A 116 6.042 -0.685 -10.615 1.00 0.88 C ATOM 1274 CD LYS A 116 5.537 0.330 -11.634 1.00 0.77 C ATOM 1275 CE LYS A 116 6.664 1.159 -12.242 1.00 0.85 C ATOM 1276 NZ LYS A 116 7.387 0.448 -13.334 1.00 1.06 N ATOM 0 H LYS A 116 4.710 -3.034 -10.551 1.00 0.40 H new ATOM 0 HA LYS A 116 5.572 -2.002 -13.048 1.00 0.41 H new ATOM 0 HB2 LYS A 116 7.133 -2.519 -10.491 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.632 -1.474 -11.806 1.00 0.39 H new ATOM 0 HG2 LYS A 116 5.201 -1.061 -10.033 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.717 -0.190 -9.917 1.00 0.88 H new ATOM 0 HD2 LYS A 116 5.005 -0.192 -12.429 1.00 0.77 H new ATOM 0 HD3 LYS A 116 4.819 0.995 -11.154 1.00 0.77 H new ATOM 0 HE2 LYS A 116 6.253 2.090 -12.632 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.373 1.427 -11.459 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 7.645 1.127 -14.079 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 8.249 0.009 -12.951 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 6.772 -0.289 -13.735 1.00 1.06 H new ATOM 1290 N LEU A 117 6.744 -4.916 -12.067 1.00 0.47 N ATOM 1291 CA LEU A 117 7.462 -6.117 -12.490 1.00 0.57 C ATOM 1292 C LEU A 117 6.814 -6.704 -13.747 1.00 0.64 C ATOM 1293 O LEU A 117 7.504 -7.154 -14.660 1.00 0.75 O ATOM 1294 CB LEU A 117 7.479 -7.152 -11.348 1.00 0.59 C ATOM 1295 CG LEU A 117 8.590 -8.215 -11.395 1.00 0.86 C ATOM 1296 CD1 LEU A 117 8.335 -9.250 -12.484 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.948 -7.551 -11.589 1.00 1.59 C ATOM 0 H LEU A 117 6.285 -5.002 -11.160 1.00 0.47 H new ATOM 0 HA LEU A 117 8.492 -5.851 -12.729 1.00 0.57 H new ATOM 0 HB2 LEU A 117 7.562 -6.615 -10.403 1.00 0.59 H new ATOM 0 HB3 LEU A 117 6.517 -7.665 -11.340 1.00 0.59 H new ATOM 0 HG LEU A 117 8.588 -8.741 -10.441 1.00 0.86 H new ATOM 0 HD11 LEU A 117 9.142 -9.983 -12.485 1.00 1.48 H new ATOM 0 HD12 LEU A 117 7.387 -9.753 -12.293 1.00 1.48 H new ATOM 0 HD13 LEU A 117 8.294 -8.755 -13.454 1.00 1.48 H new ATOM 0 HD21 LEU A 117 10.725 -8.315 -11.620 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.950 -6.993 -12.525 1.00 1.59 H new ATOM 0 HD23 LEU A 117 10.142 -6.870 -10.760 1.00 1.59 H new ATOM 1309 N GLU A 118 5.479 -6.662 -13.796 1.00 0.61 N ATOM 1310 CA GLU A 118 4.729 -7.140 -14.959 1.00 0.69 C ATOM 1311 C GLU A 118 4.992 -6.245 -16.173 1.00 0.70 C ATOM 1312 O GLU A 118 4.579 -6.554 -17.289 1.00 0.85 O ATOM 1313 CB GLU A 118 3.224 -7.169 -14.660 1.00 0.70 C ATOM 1314 CG GLU A 118 2.831 -8.037 -13.471 1.00 0.80 C ATOM 1315 CD GLU A 118 3.120 -9.511 -13.677 1.00 1.36 C ATOM 1316 OE1 GLU A 118 4.286 -9.925 -13.516 1.00 2.05 O ATOM 1317 OE2 GLU A 118 2.175 -10.267 -13.988 1.00 1.71 O ATOM 0 H GLU A 118 4.895 -6.301 -13.041 1.00 0.61 H new ATOM 0 HA GLU A 118 5.066 -8.153 -15.182 1.00 0.69 H new ATOM 0 HB2 GLU A 118 2.883 -6.150 -14.478 1.00 0.70 H new ATOM 0 HB3 GLU A 118 2.698 -7.527 -15.545 1.00 0.70 H new ATOM 0 HG2 GLU A 118 3.365 -7.690 -12.586 1.00 0.80 H new ATOM 0 HG3 GLU A 118 1.767 -7.908 -13.273 1.00 0.80 H new ATOM 1324 N GLY A 119 5.669 -5.125 -15.940 1.00 0.60 N ATOM 1325 CA GLY A 119 6.014 -4.225 -17.020 1.00 0.62 C ATOM 1326 C GLY A 119 5.019 -3.096 -17.170 1.00 0.65 C ATOM 1327 O GLY A 119 4.727 -2.662 -18.284 1.00 0.68 O ATOM 0 H GLY A 119 5.985 -4.826 -15.018 1.00 0.60 H new ATOM 0 HA2 GLY A 119 7.006 -3.810 -16.841 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.067 -4.785 -17.953 1.00 0.62 H new ATOM 1331 N HIS A 120 4.482 -2.626 -16.053 1.00 0.70 N ATOM 1332 CA HIS A 120 3.516 -1.536 -16.083 1.00 0.78 C ATOM 1333 C HIS A 120 3.994 -0.350 -15.253 1.00 0.75 C ATOM 1334 O HIS A 120 5.090 -0.364 -14.694 1.00 0.92 O ATOM 1335 CB HIS A 120 2.143 -1.998 -15.581 1.00 0.80 C ATOM 1336 CG HIS A 120 1.525 -3.076 -16.412 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.370 -4.393 -16.159 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.989 -2.859 -17.666 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 0.752 -4.944 -17.252 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.532 -3.999 -18.147 1.00 1.10 N flip ATOM 0 H HIS A 120 4.697 -2.979 -15.120 1.00 0.70 H new ATOM 0 HA HIS A 120 3.422 -1.220 -17.122 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.243 -2.355 -14.556 1.00 0.80 H new ATOM 0 HB3 HIS A 120 1.469 -1.141 -15.555 1.00 0.80 H new ATOM 0 HD2 HIS A 120 0.950 -1.906 -18.173 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.487 -5.985 -17.363 1.00 1.16 H new ATOM 0 HE2 HIS A 120 0.085 -4.128 -19.055 1.00 1.10 H new ATOM 1349 N GLU A 121 3.151 0.665 -15.171 1.00 0.78 N ATOM 1350 CA GLU A 121 3.473 1.900 -14.470 1.00 0.84 C ATOM 1351 C GLU A 121 2.413 2.188 -13.422 1.00 0.84 C ATOM 1352 O GLU A 121 1.310 1.645 -13.486 1.00 0.98 O ATOM 1353 CB GLU A 121 3.553 3.068 -15.458 1.00 1.05 C ATOM 1354 CG GLU A 121 4.833 3.107 -16.271 1.00 1.71 C ATOM 1355 CD GLU A 121 5.981 3.740 -15.516 1.00 2.10 C ATOM 1356 OE1 GLU A 121 6.519 3.103 -14.586 1.00 2.69 O ATOM 1357 OE2 GLU A 121 6.342 4.888 -15.844 1.00 2.11 O ATOM 0 H GLU A 121 2.221 0.658 -15.589 1.00 0.78 H new ATOM 0 HA GLU A 121 4.441 1.784 -13.983 1.00 0.84 H new ATOM 0 HB2 GLU A 121 2.704 3.012 -16.140 1.00 1.05 H new ATOM 0 HB3 GLU A 121 3.457 4.003 -14.906 1.00 1.05 H new ATOM 0 HG2 GLU A 121 5.108 2.092 -16.559 1.00 1.71 H new ATOM 0 HG3 GLU A 121 4.658 3.663 -17.192 1.00 1.71 H new ATOM 1364 N LEU A 122 2.746 3.027 -12.452 1.00 0.88 N ATOM 1365 CA LEU A 122 1.778 3.430 -11.450 1.00 0.89 C ATOM 1366 C LEU A 122 1.314 4.846 -11.743 1.00 0.96 C ATOM 1367 O LEU A 122 2.096 5.792 -11.679 1.00 1.08 O ATOM 1368 CB LEU A 122 2.372 3.317 -10.045 1.00 0.90 C ATOM 1369 CG LEU A 122 3.063 1.995 -9.768 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.776 2.042 -8.433 1.00 1.21 C ATOM 1371 CD2 LEU A 122 2.055 0.863 -9.799 1.00 0.74 C ATOM 0 H LEU A 122 3.673 3.438 -12.340 1.00 0.88 H new ATOM 0 HA LEU A 122 0.917 2.763 -11.490 1.00 0.89 H new ATOM 0 HB2 LEU A 122 3.088 4.126 -9.899 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.576 3.459 -9.314 1.00 0.90 H new ATOM 0 HG LEU A 122 3.806 1.817 -10.545 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.267 1.086 -8.249 1.00 1.21 H new ATOM 0 HD12 LEU A 122 4.522 2.836 -8.447 1.00 1.21 H new ATOM 0 HD13 LEU A 122 3.053 2.237 -7.641 1.00 1.21 H new ATOM 0 HD21 LEU A 122 2.562 -0.081 -9.599 1.00 0.74 H new ATOM 0 HD22 LEU A 122 1.293 1.034 -9.039 1.00 0.74 H new ATOM 0 HD23 LEU A 122 1.585 0.821 -10.781 1.00 0.74 H new ATOM 1383 N PRO A 123 0.026 5.002 -12.065 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.533 6.267 -12.561 1.00 1.15 C ATOM 1385 C PRO A 123 -0.800 7.285 -11.455 1.00 1.04 C ATOM 1386 O PRO A 123 -1.324 8.371 -11.712 1.00 1.16 O ATOM 1387 CB PRO A 123 -1.843 5.813 -13.204 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.268 4.638 -12.392 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.003 3.946 -11.963 1.00 1.01 C ATOM 0 HA PRO A 123 0.151 6.783 -13.235 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.592 6.604 -13.180 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -1.699 5.542 -14.250 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -2.852 4.953 -11.527 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -2.899 3.969 -12.976 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.082 3.561 -10.946 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -0.772 3.098 -12.608 1.00 1.01 H new ATOM 1397 N ALA A 124 -0.441 6.918 -10.227 1.00 0.88 N ATOM 1398 CA ALA A 124 -0.633 7.774 -9.055 1.00 0.86 C ATOM 1399 C ALA A 124 -2.119 8.029 -8.792 1.00 0.82 C ATOM 1400 O ALA A 124 -2.490 8.962 -8.081 1.00 0.88 O ATOM 1401 CB ALA A 124 0.124 9.091 -9.207 1.00 1.06 C ATOM 0 H ALA A 124 -0.009 6.019 -10.015 1.00 0.88 H new ATOM 0 HA ALA A 124 -0.226 7.247 -8.192 1.00 0.86 H new ATOM 0 HB1 ALA A 124 -0.036 9.707 -8.322 1.00 1.06 H new ATOM 0 HB2 ALA A 124 1.189 8.888 -9.319 1.00 1.06 H new ATOM 0 HB3 ALA A 124 -0.239 9.620 -10.088 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.960 7.175 -9.354 1.00 0.82 N ATOM 1408 CA ASP A 125 -4.396 7.242 -9.125 1.00 0.84 C ATOM 1409 C ASP A 125 -4.840 6.050 -8.314 1.00 0.83 C ATOM 1410 O ASP A 125 -4.281 4.960 -8.446 1.00 0.85 O ATOM 1411 CB ASP A 125 -5.167 7.251 -10.441 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.411 8.641 -10.990 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -4.663 9.568 -10.614 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -6.323 8.815 -11.823 1.00 1.76 O ATOM 0 H ASP A 125 -2.670 6.421 -9.977 1.00 0.82 H new ATOM 0 HA ASP A 125 -4.604 8.167 -8.587 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -4.616 6.669 -11.180 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -6.126 6.754 -10.294 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.842 6.248 -7.488 1.00 0.84 N ATOM 1420 CA LEU A 126 -6.357 5.172 -6.673 1.00 0.85 C ATOM 1421 C LEU A 126 -7.858 5.006 -6.898 1.00 0.82 C ATOM 1422 O LEU A 126 -8.666 5.722 -6.307 1.00 0.86 O ATOM 1423 CB LEU A 126 -6.041 5.441 -5.203 1.00 0.92 C ATOM 1424 CG LEU A 126 -6.168 4.232 -4.278 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.257 3.106 -4.747 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -5.841 4.624 -2.847 1.00 1.62 C ATOM 0 H LEU A 126 -6.316 7.143 -7.363 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.874 4.238 -6.961 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -5.024 5.828 -5.131 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.707 6.225 -4.843 1.00 0.92 H new ATOM 0 HG LEU A 126 -7.198 3.876 -4.310 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -5.359 2.252 -4.077 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -5.536 2.810 -5.758 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -4.222 3.449 -4.742 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -5.936 3.752 -2.200 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -4.820 5.003 -2.798 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -6.532 5.399 -2.515 1.00 1.62 H new ATOM 1438 N PRO A 127 -8.240 4.100 -7.813 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.647 3.793 -8.102 1.00 0.78 C ATOM 1440 C PRO A 127 -10.368 3.205 -6.890 1.00 0.79 C ATOM 1441 O PRO A 127 -9.744 2.565 -6.043 1.00 0.81 O ATOM 1442 CB PRO A 127 -9.577 2.761 -9.234 1.00 0.90 C ATOM 1443 CG PRO A 127 -8.202 2.885 -9.796 1.00 0.76 C ATOM 1444 CD PRO A 127 -7.325 3.322 -8.659 1.00 0.81 C ATOM 0 HA PRO A 127 -10.208 4.689 -8.368 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.759 1.754 -8.860 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -10.332 2.960 -9.995 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.862 1.935 -10.207 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -8.177 3.611 -10.609 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -6.906 2.471 -8.123 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.486 3.925 -9.006 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.693 3.410 -6.803 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.511 2.947 -5.671 1.00 0.89 C ATOM 1454 C PRO A 128 -12.373 1.453 -5.380 1.00 0.92 C ATOM 1455 O PRO A 128 -12.580 1.017 -4.250 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.951 3.252 -6.100 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.882 3.612 -7.549 1.00 1.02 C ATOM 1458 CD PRO A 128 -12.501 4.147 -7.785 1.00 0.86 C ATOM 0 HA PRO A 128 -12.198 3.443 -4.752 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -14.596 2.388 -5.943 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.367 4.071 -5.514 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -14.074 2.741 -8.176 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -14.636 4.358 -7.801 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -12.165 3.962 -8.805 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -12.451 5.224 -7.623 1.00 0.86 H new ATOM 1466 N HIS A 129 -12.040 0.666 -6.398 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.903 -0.776 -6.214 1.00 0.96 C ATOM 1468 C HIS A 129 -10.430 -1.177 -6.066 1.00 0.95 C ATOM 1469 O HIS A 129 -10.099 -2.363 -6.028 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.586 -1.555 -7.356 1.00 1.02 C ATOM 1471 CG HIS A 129 -12.097 -1.236 -8.737 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -12.737 -0.351 -9.581 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -11.035 -1.707 -9.431 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -12.089 -0.298 -10.729 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -11.056 -1.111 -10.663 1.00 1.14 N ATOM 0 H HIS A 129 -11.862 0.995 -7.347 1.00 0.90 H new ATOM 0 HA HIS A 129 -12.412 -1.042 -5.288 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.448 -2.622 -7.178 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.658 -1.361 -7.315 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -10.306 -2.421 -9.078 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -12.360 0.310 -11.579 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -10.380 -1.271 -11.410 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.551 -0.180 -6.005 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.147 -0.404 -5.687 1.00 0.92 C ATOM 1486 C LEU A 130 -7.883 -0.026 -4.239 1.00 0.93 C ATOM 1487 O LEU A 130 -6.991 -0.573 -3.592 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.232 0.411 -6.608 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.729 -0.306 -7.864 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.922 -1.541 -7.488 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -7.881 -0.671 -8.785 1.00 1.34 C ATOM 0 H LEU A 130 -9.791 0.797 -6.173 1.00 0.89 H new ATOM 0 HA LEU A 130 -7.929 -1.461 -5.838 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.768 1.309 -6.917 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.368 0.738 -6.030 1.00 0.89 H new ATOM 0 HG LEU A 130 -6.076 0.378 -8.405 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -5.573 -2.037 -8.394 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.065 -1.245 -6.883 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -6.550 -2.226 -6.918 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -7.494 -1.179 -9.668 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -8.571 -1.331 -8.260 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -8.406 0.235 -9.088 1.00 1.34 H new ATOM 1760 N ASP B 149 7.689 9.694 4.881 1.00 0.45 N ATOM 1761 CA ASP B 149 8.007 8.372 4.368 1.00 0.42 C ATOM 1762 C ASP B 149 9.519 8.139 4.329 1.00 0.31 C ATOM 1763 O ASP B 149 10.307 9.074 4.164 1.00 0.30 O ATOM 1764 CB ASP B 149 7.419 8.207 2.965 1.00 0.70 C ATOM 1765 CG ASP B 149 8.029 9.179 1.980 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.060 8.839 1.369 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.495 10.300 1.844 1.00 1.25 O ATOM 0 HA ASP B 149 7.569 7.633 5.039 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.586 7.187 2.619 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.340 8.358 3.003 1.00 0.70 H new ATOM 1772 N PRO B 150 9.935 6.872 4.467 1.00 0.31 N ATOM 1773 CA PRO B 150 11.351 6.482 4.501 1.00 0.29 C ATOM 1774 C PRO B 150 12.075 6.660 3.165 1.00 0.29 C ATOM 1775 O PRO B 150 13.255 6.328 3.048 1.00 0.34 O ATOM 1776 CB PRO B 150 11.308 5.001 4.881 1.00 0.34 C ATOM 1777 CG PRO B 150 9.963 4.533 4.449 1.00 0.49 C ATOM 1778 CD PRO B 150 9.042 5.707 4.615 1.00 0.43 C ATOM 0 HA PRO B 150 11.907 7.111 5.196 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.100 4.442 4.382 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.448 4.864 5.953 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.982 4.196 3.413 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.631 3.689 5.053 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.254 5.708 3.862 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.553 5.698 5.589 1.00 0.43 H new ATOM 1786 N PHE B 151 11.369 7.135 2.154 1.00 0.31 N ATOM 1787 CA PHE B 151 11.942 7.261 0.822 1.00 0.39 C ATOM 1788 C PHE B 151 12.412 8.688 0.561 1.00 0.46 C ATOM 1789 O PHE B 151 13.524 8.905 0.081 1.00 0.56 O ATOM 1790 CB PHE B 151 10.915 6.836 -0.231 1.00 0.44 C ATOM 1791 CG PHE B 151 10.293 5.505 0.078 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.034 4.340 -0.020 1.00 0.42 C ATOM 1793 CD2 PHE B 151 8.977 5.424 0.501 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.471 3.119 0.293 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.414 4.208 0.821 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.161 3.053 0.715 1.00 0.32 C ATOM 0 H PHE B 151 10.399 7.440 2.228 1.00 0.31 H new ATOM 0 HA PHE B 151 12.810 6.605 0.757 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.133 7.592 -0.297 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.398 6.790 -1.207 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.063 4.387 -0.345 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.385 6.324 0.581 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.057 2.216 0.207 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.388 4.159 1.155 1.00 0.27 H new ATOM 0 HZ PHE B 151 8.720 2.099 0.962 1.00 0.32 H new ATOM 1806 N THR B 152 11.584 9.661 0.908 1.00 0.53 N ATOM 1807 CA THR B 152 11.885 11.053 0.592 1.00 0.65 C ATOM 1808 C THR B 152 12.688 11.736 1.700 1.00 1.20 C ATOM 1809 O THR B 152 12.675 12.961 1.827 1.00 1.89 O ATOM 1810 CB THR B 152 10.598 11.856 0.323 1.00 0.95 C ATOM 1811 OG1 THR B 152 9.736 11.821 1.469 1.00 1.59 O ATOM 1812 CG2 THR B 152 9.860 11.307 -0.885 1.00 0.98 C ATOM 0 H THR B 152 10.705 9.517 1.405 1.00 0.53 H new ATOM 0 HA THR B 152 12.494 11.037 -0.312 1.00 0.65 H new ATOM 0 HB THR B 152 10.884 12.888 0.121 1.00 0.95 H new ATOM 0 HG1 THR B 152 8.937 11.292 1.262 1.00 1.59 H new ATOM 0 HG21 THR B 152 8.955 11.890 -1.055 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.502 11.370 -1.763 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.592 10.266 -0.705 1.00 0.98 H new