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 68 THR OG1 : rot -8:sc= 1.24 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.04 K(o=2.3,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1 (180deg=0.347) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 57:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0251 F(o=-1.2!,f=-0.025) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 2.18 (180deg=1.34) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.483) USER MOD Single : A 76 MET CE :methyl -109:sc= -0.072 (180deg=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.121) USER MOD Single : A 79 SER OG : rot -22:sc= -1.51 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.18) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -0.0394 (180deg=-0.503) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= -0.682 (180deg=-2.04!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0106 F(o=-0.61,f=-0.011) USER MOD Single : A 111 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 114 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.21) USER MOD Single : A 116 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.14) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.548 F(o=-1.6,f=-0.55) USER MOD Single : A 129 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.057) USER MOD Single : B 152 THR OG1 : rot 168:sc= -0.281 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -12.122 -6.533 -3.206 1.00 0.96 N ATOM 117 CA TRP A 44 -10.875 -5.810 -3.369 1.00 0.76 C ATOM 118 C TRP A 44 -9.978 -6.540 -4.363 1.00 0.61 C ATOM 119 O TRP A 44 -9.666 -7.717 -4.179 1.00 0.62 O ATOM 120 CB TRP A 44 -10.187 -5.677 -2.008 1.00 0.89 C ATOM 121 CG TRP A 44 -9.107 -4.636 -1.950 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.082 -3.429 -2.588 1.00 0.60 C ATOM 123 CD2 TRP A 44 -7.912 -4.702 -1.168 1.00 0.59 C ATOM 124 NE1 TRP A 44 -7.929 -2.751 -2.262 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.198 -3.510 -1.391 1.00 0.53 C ATOM 126 CE3 TRP A 44 -7.372 -5.660 -0.303 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -5.978 -3.251 -0.782 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.160 -5.398 0.303 1.00 0.77 C ATOM 129 CH2 TRP A 44 -5.476 -4.204 0.062 1.00 0.69 C ATOM 0 HA TRP A 44 -11.074 -4.813 -3.761 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -10.941 -5.441 -1.257 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -9.758 -6.642 -1.737 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.852 -3.061 -3.250 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.663 -1.831 -2.613 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -7.893 -6.587 -0.113 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -5.444 -2.331 -0.968 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -5.733 -6.128 0.975 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -4.530 -4.029 0.553 1.00 0.69 H new ATOM 140 N VAL A 45 -9.577 -5.837 -5.416 1.00 0.60 N ATOM 141 CA VAL A 45 -8.777 -6.415 -6.489 1.00 0.57 C ATOM 142 C VAL A 45 -7.490 -7.046 -5.960 1.00 0.54 C ATOM 143 O VAL A 45 -7.037 -8.077 -6.456 1.00 0.67 O ATOM 144 CB VAL A 45 -8.417 -5.338 -7.531 1.00 0.67 C ATOM 145 CG1 VAL A 45 -7.647 -5.940 -8.689 1.00 1.01 C ATOM 146 CG2 VAL A 45 -9.666 -4.634 -8.029 1.00 1.33 C ATOM 0 H VAL A 45 -9.797 -4.850 -5.550 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.380 -7.195 -6.953 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.778 -4.601 -7.046 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -7.405 -5.159 -9.410 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -6.726 -6.390 -8.319 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -8.255 -6.704 -9.172 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -9.389 -3.878 -8.764 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -10.334 -5.361 -8.491 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -10.173 -4.157 -7.191 1.00 1.33 H new ATOM 156 N VAL A 46 -6.919 -6.434 -4.936 1.00 0.43 N ATOM 157 CA VAL A 46 -5.661 -6.902 -4.376 1.00 0.40 C ATOM 158 C VAL A 46 -5.852 -8.208 -3.604 1.00 0.46 C ATOM 159 O VAL A 46 -4.911 -8.984 -3.434 1.00 0.53 O ATOM 160 CB VAL A 46 -5.039 -5.830 -3.455 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.690 -6.286 -2.924 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.902 -4.502 -4.188 1.00 0.41 C ATOM 0 H VAL A 46 -7.307 -5.611 -4.475 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.980 -7.090 -5.206 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.708 -5.687 -2.607 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.273 -5.513 -2.278 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.816 -7.207 -2.354 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.012 -6.466 -3.759 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.462 -3.762 -3.520 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.260 -4.632 -5.059 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.886 -4.161 -4.510 1.00 0.41 H new ATOM 172 N GLY A 47 -7.089 -8.472 -3.192 1.00 0.51 N ATOM 173 CA GLY A 47 -7.380 -9.657 -2.400 1.00 0.59 C ATOM 174 C GLY A 47 -7.227 -10.948 -3.186 1.00 0.65 C ATOM 175 O GLY A 47 -7.328 -12.036 -2.621 1.00 0.78 O ATOM 0 H GLY A 47 -7.898 -7.885 -3.393 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -6.715 -9.683 -1.537 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.398 -9.590 -2.016 1.00 0.59 H new ATOM 179 N LYS A 48 -6.978 -10.824 -4.484 1.00 0.66 N ATOM 180 CA LYS A 48 -6.790 -11.984 -5.353 1.00 0.79 C ATOM 181 C LYS A 48 -5.430 -12.619 -5.121 1.00 0.73 C ATOM 182 O LYS A 48 -5.253 -13.824 -5.297 1.00 0.86 O ATOM 183 CB LYS A 48 -6.917 -11.566 -6.819 1.00 0.94 C ATOM 184 CG LYS A 48 -8.335 -11.597 -7.362 1.00 1.18 C ATOM 185 CD LYS A 48 -9.332 -10.990 -6.391 1.00 1.81 C ATOM 186 CE LYS A 48 -10.743 -11.055 -6.937 1.00 2.64 C ATOM 187 NZ LYS A 48 -11.744 -10.616 -5.932 1.00 3.22 N ATOM 0 H LYS A 48 -6.901 -9.926 -4.962 1.00 0.66 H new ATOM 0 HA LYS A 48 -7.562 -12.716 -5.115 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.520 -10.557 -6.932 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -6.294 -12.223 -7.426 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -8.373 -11.054 -8.306 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -8.619 -12.628 -7.575 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -9.284 -11.519 -5.439 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -9.064 -9.952 -6.193 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -10.819 -10.426 -7.824 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -10.965 -12.075 -7.250 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -12.697 -10.675 -6.343 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -11.689 -11.232 -5.096 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -11.547 -9.634 -5.652 1.00 3.22 H new ATOM 201 N ASP A 49 -4.482 -11.803 -4.702 1.00 0.61 N ATOM 202 CA ASP A 49 -3.124 -12.265 -4.478 1.00 0.65 C ATOM 203 C ASP A 49 -2.634 -11.701 -3.154 1.00 0.53 C ATOM 204 O ASP A 49 -1.449 -11.462 -2.949 1.00 0.60 O ATOM 205 CB ASP A 49 -2.248 -11.787 -5.647 1.00 0.80 C ATOM 206 CG ASP A 49 -0.849 -12.371 -5.649 1.00 1.61 C ATOM 207 OD1 ASP A 49 -0.712 -13.590 -5.407 1.00 2.39 O ATOM 208 OD2 ASP A 49 0.119 -11.609 -5.837 1.00 1.93 O ATOM 0 H ASP A 49 -4.628 -10.812 -4.509 1.00 0.61 H new ATOM 0 HA ASP A 49 -3.077 -13.353 -4.430 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.740 -12.045 -6.585 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.177 -10.700 -5.613 1.00 0.80 H new ATOM 213 N LYS A 50 -3.570 -11.561 -2.225 1.00 0.43 N ATOM 214 CA LYS A 50 -3.294 -10.929 -0.943 1.00 0.39 C ATOM 215 C LYS A 50 -2.696 -11.892 0.097 1.00 0.32 C ATOM 216 O LYS A 50 -1.753 -11.521 0.783 1.00 0.29 O ATOM 217 CB LYS A 50 -4.554 -10.282 -0.368 1.00 0.50 C ATOM 218 CG LYS A 50 -4.308 -9.632 0.980 1.00 0.74 C ATOM 219 CD LYS A 50 -5.577 -9.110 1.622 1.00 0.72 C ATOM 220 CE LYS A 50 -5.295 -8.718 3.055 1.00 0.80 C ATOM 221 NZ LYS A 50 -6.495 -8.213 3.761 1.00 1.17 N ATOM 0 H LYS A 50 -4.533 -11.879 -2.337 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.544 -10.165 -1.149 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -4.925 -9.533 -1.067 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.333 -11.038 -0.267 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.840 -10.356 1.647 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -3.603 -8.809 0.858 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -5.951 -8.250 1.066 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.354 -9.874 1.589 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -4.900 -9.581 3.591 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -4.521 -7.951 3.071 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -6.205 -7.714 4.626 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -7.013 -7.558 3.141 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -7.111 -9.012 4.013 1.00 1.17 H new ATOM 235 N PRO A 51 -3.227 -13.131 0.256 1.00 0.34 N ATOM 236 CA PRO A 51 -2.746 -14.074 1.291 1.00 0.33 C ATOM 237 C PRO A 51 -1.252 -14.357 1.195 1.00 0.29 C ATOM 238 O PRO A 51 -0.605 -14.735 2.173 1.00 0.29 O ATOM 239 CB PRO A 51 -3.546 -15.346 1.018 1.00 0.45 C ATOM 240 CG PRO A 51 -4.075 -15.193 -0.365 1.00 0.65 C ATOM 241 CD PRO A 51 -4.326 -13.728 -0.526 1.00 0.44 C ATOM 0 HA PRO A 51 -2.886 -13.668 2.293 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.916 -16.232 1.102 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -4.356 -15.462 1.738 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -3.359 -15.554 -1.103 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -4.991 -15.767 -0.503 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.293 -13.423 -1.572 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.303 -13.438 -0.140 1.00 0.44 H new ATOM 249 N THR A 52 -0.721 -14.164 0.013 1.00 0.29 N ATOM 250 CA THR A 52 0.700 -14.265 -0.223 1.00 0.28 C ATOM 251 C THR A 52 1.438 -13.094 0.445 1.00 0.25 C ATOM 252 O THR A 52 2.485 -13.275 1.083 1.00 0.25 O ATOM 253 CB THR A 52 0.940 -14.292 -1.741 1.00 0.33 C ATOM 254 OG1 THR A 52 0.672 -15.608 -2.246 1.00 0.45 O ATOM 255 CG2 THR A 52 2.355 -13.864 -2.108 1.00 0.40 C ATOM 0 H THR A 52 -1.265 -13.931 -0.818 1.00 0.29 H new ATOM 0 HA THR A 52 1.092 -15.183 0.216 1.00 0.28 H new ATOM 0 HB THR A 52 0.260 -13.574 -2.199 1.00 0.33 H new ATOM 0 HG1 THR A 52 0.824 -15.624 -3.214 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.477 -13.899 -3.191 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.530 -12.847 -1.756 1.00 0.40 H new ATOM 0 HG23 THR A 52 3.072 -14.539 -1.640 1.00 0.40 H new ATOM 263 N TYR A 53 0.858 -11.902 0.344 1.00 0.25 N ATOM 264 CA TYR A 53 1.422 -10.728 0.998 1.00 0.25 C ATOM 265 C TYR A 53 1.172 -10.817 2.501 1.00 0.22 C ATOM 266 O TYR A 53 1.880 -10.204 3.286 1.00 0.21 O ATOM 267 CB TYR A 53 0.804 -9.432 0.452 1.00 0.28 C ATOM 268 CG TYR A 53 0.720 -9.346 -1.059 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.732 -9.876 -1.846 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.354 -8.738 -1.699 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.680 -9.810 -3.225 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.415 -8.668 -3.080 1.00 0.59 C ATOM 273 CZ TYR A 53 0.528 -9.169 -3.831 1.00 0.56 C ATOM 274 OH TYR A 53 0.563 -9.132 -5.212 1.00 0.70 O ATOM 0 H TYR A 53 0.002 -11.725 -0.182 1.00 0.25 H new ATOM 0 HA TYR A 53 2.493 -10.705 0.795 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.200 -9.326 0.863 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.389 -8.587 0.816 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.578 -10.350 -1.371 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.153 -8.314 -1.109 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.472 -10.222 -3.833 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -1.262 -8.188 -3.547 1.00 0.59 H new ATOM 0 HH TYR A 53 0.646 -10.044 -5.562 1.00 0.70 H new ATOM 284 N ASP A 54 0.167 -11.607 2.883 1.00 0.23 N ATOM 285 CA ASP A 54 -0.118 -11.886 4.293 1.00 0.24 C ATOM 286 C ASP A 54 1.025 -12.689 4.900 1.00 0.21 C ATOM 287 O ASP A 54 1.521 -12.382 5.988 1.00 0.22 O ATOM 288 CB ASP A 54 -1.435 -12.667 4.413 1.00 0.29 C ATOM 289 CG ASP A 54 -1.712 -13.200 5.812 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.105 -14.224 6.193 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.503 -12.576 6.552 1.00 0.73 O ATOM 0 H ASP A 54 -0.468 -12.068 2.231 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.215 -10.945 4.834 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.259 -12.019 4.112 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.415 -13.503 3.714 1.00 0.29 H new ATOM 296 N GLU A 55 1.460 -13.700 4.156 1.00 0.23 N ATOM 297 CA GLU A 55 2.601 -14.517 4.547 1.00 0.25 C ATOM 298 C GLU A 55 3.844 -13.641 4.687 1.00 0.24 C ATOM 299 O GLU A 55 4.628 -13.801 5.623 1.00 0.30 O ATOM 300 CB GLU A 55 2.831 -15.626 3.510 1.00 0.32 C ATOM 301 CG GLU A 55 4.024 -16.528 3.802 1.00 0.41 C ATOM 302 CD GLU A 55 3.924 -17.245 5.135 1.00 1.13 C ATOM 303 OE1 GLU A 55 2.804 -17.629 5.535 1.00 1.86 O ATOM 304 OE2 GLU A 55 4.973 -17.438 5.783 1.00 1.66 O ATOM 0 H GLU A 55 1.034 -13.974 3.271 1.00 0.23 H new ATOM 0 HA GLU A 55 2.397 -14.983 5.511 1.00 0.25 H new ATOM 0 HB2 GLU A 55 1.933 -16.241 3.449 1.00 0.32 H new ATOM 0 HB3 GLU A 55 2.970 -15.167 2.531 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.115 -17.267 3.006 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.935 -15.930 3.787 1.00 0.41 H new ATOM 311 N ILE A 56 4.010 -12.700 3.766 1.00 0.22 N ATOM 312 CA ILE A 56 5.134 -11.771 3.832 1.00 0.24 C ATOM 313 C ILE A 56 4.959 -10.789 4.997 1.00 0.24 C ATOM 314 O ILE A 56 5.916 -10.445 5.685 1.00 0.27 O ATOM 315 CB ILE A 56 5.295 -10.985 2.509 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.457 -11.952 1.333 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.491 -10.041 2.588 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.527 -11.263 -0.012 1.00 0.32 C ATOM 0 H ILE A 56 3.387 -12.559 2.971 1.00 0.22 H new ATOM 0 HA ILE A 56 6.035 -12.362 3.994 1.00 0.24 H new ATOM 0 HB ILE A 56 4.396 -10.389 2.350 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.364 -12.539 1.479 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.621 -12.651 1.331 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.588 -9.497 1.648 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.343 -9.333 3.403 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.398 -10.617 2.769 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.642 -12.010 -0.798 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.610 -10.698 -0.179 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.380 -10.584 -0.029 1.00 0.32 H new ATOM 330 N PHE A 57 3.725 -10.366 5.223 1.00 0.22 N ATOM 331 CA PHE A 57 3.406 -9.394 6.264 1.00 0.23 C ATOM 332 C PHE A 57 3.771 -9.926 7.648 1.00 0.26 C ATOM 333 O PHE A 57 4.481 -9.270 8.414 1.00 0.29 O ATOM 334 CB PHE A 57 1.914 -9.057 6.206 1.00 0.23 C ATOM 335 CG PHE A 57 1.493 -7.968 7.149 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.684 -6.637 6.814 1.00 0.27 C ATOM 337 CD2 PHE A 57 0.901 -8.268 8.364 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.292 -5.632 7.672 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.508 -7.263 9.225 1.00 0.39 C ATOM 340 CZ PHE A 57 0.705 -5.945 8.879 1.00 0.34 C ATOM 0 H PHE A 57 2.915 -10.685 4.692 1.00 0.22 H new ATOM 0 HA PHE A 57 3.993 -8.493 6.088 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.659 -8.760 5.189 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.341 -9.957 6.429 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.145 -6.384 5.871 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.745 -9.300 8.641 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.445 -4.599 7.398 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.046 -7.510 10.169 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.400 -5.158 9.552 1.00 0.34 H new ATOM 350 N TYR A 58 3.310 -11.129 7.952 1.00 0.33 N ATOM 351 CA TYR A 58 3.513 -11.711 9.271 1.00 0.40 C ATOM 352 C TYR A 58 4.889 -12.356 9.412 1.00 0.44 C ATOM 353 O TYR A 58 5.133 -13.105 10.358 1.00 0.62 O ATOM 354 CB TYR A 58 2.412 -12.724 9.585 1.00 0.46 C ATOM 355 CG TYR A 58 1.062 -12.083 9.831 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.176 -11.876 8.780 1.00 0.60 C ATOM 357 CD2 TYR A 58 0.663 -11.699 11.105 1.00 0.77 C ATOM 358 CE1 TYR A 58 -1.063 -11.303 8.992 1.00 0.71 C ATOM 359 CE2 TYR A 58 -0.575 -11.128 11.324 1.00 0.87 C ATOM 360 CZ TYR A 58 -1.401 -10.878 10.298 1.00 0.78 C ATOM 361 OH TYR A 58 -2.670 -10.370 10.484 1.00 0.91 O ATOM 0 H TYR A 58 2.792 -11.722 7.304 1.00 0.33 H new ATOM 0 HA TYR A 58 3.463 -10.896 9.994 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.327 -13.427 8.756 1.00 0.46 H new ATOM 0 HB3 TYR A 58 2.698 -13.301 10.464 1.00 0.46 H new ATOM 0 HD1 TYR A 58 0.461 -12.168 7.780 1.00 0.60 H new ATOM 0 HD2 TYR A 58 1.333 -11.850 11.939 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -1.760 -11.182 8.176 1.00 0.71 H new ATOM 0 HE2 TYR A 58 -0.880 -10.881 12.330 1.00 0.87 H new ATOM 0 HH TYR A 58 -2.785 -10.113 11.423 1.00 0.91 H new ATOM 371 N THR A 59 5.784 -12.060 8.484 1.00 0.40 N ATOM 372 CA THR A 59 7.169 -12.482 8.613 1.00 0.45 C ATOM 373 C THR A 59 8.093 -11.270 8.666 1.00 0.48 C ATOM 374 O THR A 59 9.314 -11.403 8.726 1.00 0.56 O ATOM 375 CB THR A 59 7.591 -13.420 7.466 1.00 0.49 C ATOM 376 OG1 THR A 59 7.171 -12.882 6.210 1.00 0.48 O ATOM 377 CG2 THR A 59 6.994 -14.804 7.648 1.00 0.58 C ATOM 0 H THR A 59 5.578 -11.531 7.636 1.00 0.40 H new ATOM 0 HA THR A 59 7.254 -13.039 9.546 1.00 0.45 H new ATOM 0 HB THR A 59 8.678 -13.503 7.482 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.271 -13.207 5.999 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.307 -15.446 6.825 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.339 -15.228 8.591 1.00 0.58 H new ATOM 0 HG23 THR A 59 5.906 -14.733 7.659 1.00 0.58 H new ATOM 385 N LEU A 60 7.494 -10.081 8.663 1.00 0.48 N ATOM 386 CA LEU A 60 8.263 -8.842 8.737 1.00 0.56 C ATOM 387 C LEU A 60 8.128 -8.212 10.116 1.00 0.61 C ATOM 388 O LEU A 60 8.525 -7.069 10.327 1.00 0.71 O ATOM 389 CB LEU A 60 7.812 -7.850 7.661 1.00 0.64 C ATOM 390 CG LEU A 60 8.003 -8.322 6.220 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.609 -7.222 5.255 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.443 -8.752 5.978 1.00 1.17 C ATOM 0 H LEU A 60 6.484 -9.950 8.610 1.00 0.48 H new ATOM 0 HA LEU A 60 9.310 -9.087 8.561 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.757 -7.625 7.816 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.360 -6.917 7.797 1.00 0.64 H new ATOM 0 HG LEU A 60 7.359 -9.185 6.051 1.00 0.42 H new ATOM 0 HD11 LEU A 60 7.749 -7.569 4.231 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.562 -6.960 5.410 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.232 -6.345 5.429 1.00 0.86 H new ATOM 0 HD21 LEU A 60 9.555 -9.084 4.946 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.110 -7.910 6.163 1.00 1.17 H new ATOM 0 HD23 LEU A 60 9.696 -9.570 6.652 1.00 1.17 H new ATOM 404 N SER A 61 7.576 -8.988 11.046 1.00 0.59 N ATOM 405 CA SER A 61 7.373 -8.550 12.422 1.00 0.66 C ATOM 406 C SER A 61 6.346 -7.419 12.500 1.00 0.70 C ATOM 407 O SER A 61 6.702 -6.240 12.571 1.00 0.78 O ATOM 408 CB SER A 61 8.703 -8.122 13.064 1.00 0.74 C ATOM 409 OG SER A 61 8.499 -7.572 14.353 1.00 1.14 O ATOM 0 H SER A 61 7.257 -9.940 10.865 1.00 0.59 H new ATOM 0 HA SER A 61 6.980 -9.398 12.983 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.369 -8.982 13.135 1.00 0.74 H new ATOM 0 HB3 SER A 61 9.197 -7.388 12.427 1.00 0.74 H new ATOM 0 HG SER A 61 9.362 -7.310 14.737 1.00 1.14 H new ATOM 415 N PRO A 62 5.049 -7.765 12.466 1.00 0.67 N ATOM 416 CA PRO A 62 3.981 -6.793 12.631 1.00 0.71 C ATOM 417 C PRO A 62 3.728 -6.484 14.103 1.00 0.83 C ATOM 418 O PRO A 62 3.549 -7.391 14.916 1.00 1.10 O ATOM 419 CB PRO A 62 2.769 -7.486 12.016 1.00 0.72 C ATOM 420 CG PRO A 62 3.036 -8.951 12.154 1.00 0.68 C ATOM 421 CD PRO A 62 4.532 -9.129 12.257 1.00 0.65 C ATOM 0 HA PRO A 62 4.215 -5.836 12.165 1.00 0.71 H new ATOM 0 HB2 PRO A 62 1.851 -7.204 12.532 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.645 -7.206 10.970 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.540 -9.350 13.039 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.643 -9.495 11.296 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.798 -9.786 13.085 1.00 0.65 H new ATOM 0 HD3 PRO A 62 4.943 -9.575 11.351 1.00 0.65 H new ATOM 429 N VAL A 63 3.713 -5.203 14.442 1.00 0.70 N ATOM 430 CA VAL A 63 3.478 -4.777 15.814 1.00 0.79 C ATOM 431 C VAL A 63 2.086 -4.180 15.947 1.00 0.78 C ATOM 432 O VAL A 63 1.816 -3.090 15.436 1.00 0.72 O ATOM 433 CB VAL A 63 4.524 -3.745 16.289 1.00 0.83 C ATOM 434 CG1 VAL A 63 4.287 -3.359 17.746 1.00 1.60 C ATOM 435 CG2 VAL A 63 5.934 -4.288 16.099 1.00 1.66 C ATOM 0 H VAL A 63 3.861 -4.438 13.783 1.00 0.70 H new ATOM 0 HA VAL A 63 3.566 -5.662 16.444 1.00 0.79 H new ATOM 0 HB VAL A 63 4.416 -2.847 15.681 1.00 0.83 H new ATOM 0 HG11 VAL A 63 5.037 -2.631 18.056 1.00 1.60 H new ATOM 0 HG12 VAL A 63 3.293 -2.923 17.850 1.00 1.60 H new ATOM 0 HG13 VAL A 63 4.361 -4.247 18.374 1.00 1.60 H new ATOM 0 HG21 VAL A 63 6.658 -3.547 16.439 1.00 1.66 H new ATOM 0 HG22 VAL A 63 6.052 -5.204 16.678 1.00 1.66 H new ATOM 0 HG23 VAL A 63 6.102 -4.502 15.044 1.00 1.66 H new ATOM 445 N ASN A 64 1.204 -4.927 16.602 1.00 0.92 N ATOM 446 CA ASN A 64 -0.168 -4.494 16.868 1.00 1.00 C ATOM 447 C ASN A 64 -0.969 -4.428 15.571 1.00 0.91 C ATOM 448 O ASN A 64 -1.909 -3.643 15.442 1.00 0.97 O ATOM 449 CB ASN A 64 -0.197 -3.139 17.591 1.00 1.05 C ATOM 450 CG ASN A 64 0.420 -3.200 18.978 1.00 1.25 C ATOM 451 OD1 ASN A 64 0.297 -4.339 19.643 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 0.997 -2.225 19.457 1.00 1.61 N flip ATOM 0 H ASN A 64 1.419 -5.855 16.966 1.00 0.92 H new ATOM 0 HA ASN A 64 -0.629 -5.231 17.525 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.337 -2.401 16.992 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.229 -2.797 17.672 1.00 1.05 H new ATOM 0 HD21 ASN A 64 1.074 -1.362 18.918 1.00 1.61 H new ATOM 0 HD22 ASN A 64 1.398 -2.279 20.393 1.00 1.61 H new ATOM 459 N GLY A 65 -0.592 -5.273 14.619 1.00 0.83 N ATOM 460 CA GLY A 65 -1.324 -5.372 13.366 1.00 0.78 C ATOM 461 C GLY A 65 -0.765 -4.485 12.273 1.00 0.59 C ATOM 462 O GLY A 65 -1.232 -4.522 11.136 1.00 0.59 O ATOM 0 H GLY A 65 0.212 -5.896 14.692 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.310 -6.408 13.026 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.367 -5.108 13.541 1.00 0.78 H new ATOM 466 N LYS A 66 0.242 -3.699 12.609 1.00 0.51 N ATOM 467 CA LYS A 66 0.878 -2.811 11.647 1.00 0.40 C ATOM 468 C LYS A 66 2.360 -3.119 11.542 1.00 0.36 C ATOM 469 O LYS A 66 3.011 -3.400 12.547 1.00 0.55 O ATOM 470 CB LYS A 66 0.711 -1.354 12.071 1.00 0.52 C ATOM 471 CG LYS A 66 -0.699 -0.816 11.938 1.00 0.70 C ATOM 472 CD LYS A 66 -0.781 0.591 12.489 1.00 0.74 C ATOM 473 CE LYS A 66 -2.167 1.195 12.322 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.436 1.625 10.924 1.00 0.97 N ATOM 0 H LYS A 66 0.641 -3.656 13.547 1.00 0.51 H new ATOM 0 HA LYS A 66 0.400 -2.968 10.680 1.00 0.40 H new ATOM 0 HB2 LYS A 66 1.028 -1.253 13.109 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.380 -0.736 11.472 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -1.000 -0.821 10.890 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -1.394 -1.464 12.472 1.00 0.70 H new ATOM 0 HD2 LYS A 66 -0.516 0.581 13.546 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.049 1.221 11.983 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -2.917 0.464 12.625 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -2.269 2.052 12.988 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.453 1.805 10.806 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.904 2.495 10.720 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.139 0.876 10.267 1.00 0.97 H new ATOM 488 N ILE A 67 2.897 -3.075 10.336 1.00 0.30 N ATOM 489 CA ILE A 67 4.339 -3.130 10.168 1.00 0.29 C ATOM 490 C ILE A 67 4.856 -1.728 9.916 1.00 0.28 C ATOM 491 O ILE A 67 4.176 -0.909 9.292 1.00 0.37 O ATOM 492 CB ILE A 67 4.805 -4.065 9.026 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.243 -3.614 7.678 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.413 -5.507 9.317 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.819 -4.371 6.502 1.00 0.31 C ATOM 0 H ILE A 67 2.365 -3.002 9.469 1.00 0.30 H new ATOM 0 HA ILE A 67 4.748 -3.549 11.088 1.00 0.29 H new ATOM 0 HB ILE A 67 5.892 -4.009 8.971 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.160 -3.738 7.685 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.441 -2.550 7.548 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.750 -6.147 8.502 1.00 0.32 H new ATOM 0 HG22 ILE A 67 4.879 -5.830 10.248 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.329 -5.578 9.410 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.376 -4.000 5.578 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.899 -4.227 6.470 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.598 -5.433 6.609 1.00 0.31 H new ATOM 507 N THR A 68 6.042 -1.441 10.406 1.00 0.28 N ATOM 508 CA THR A 68 6.584 -0.106 10.281 1.00 0.26 C ATOM 509 C THR A 68 7.185 0.090 8.896 1.00 0.25 C ATOM 510 O THR A 68 7.417 -0.881 8.170 1.00 0.31 O ATOM 511 CB THR A 68 7.650 0.187 11.359 1.00 0.31 C ATOM 512 OG1 THR A 68 8.753 -0.709 11.219 1.00 1.31 O ATOM 513 CG2 THR A 68 7.066 0.049 12.754 1.00 1.12 C ATOM 0 H THR A 68 6.644 -2.107 10.890 1.00 0.28 H new ATOM 0 HA THR A 68 5.761 0.594 10.426 1.00 0.26 H new ATOM 0 HB THR A 68 7.992 1.213 11.221 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.536 -1.393 10.552 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.838 0.261 13.494 1.00 1.12 H new ATOM 0 HG22 THR A 68 6.244 0.754 12.876 1.00 1.12 H new ATOM 0 HG23 THR A 68 6.697 -0.967 12.895 1.00 1.12 H new ATOM 521 N GLY A 69 7.436 1.342 8.536 1.00 0.24 N ATOM 522 CA GLY A 69 8.042 1.643 7.254 1.00 0.26 C ATOM 523 C GLY A 69 9.400 0.995 7.080 1.00 0.25 C ATOM 524 O GLY A 69 9.855 0.805 5.963 1.00 0.33 O ATOM 0 H GLY A 69 7.229 2.158 9.112 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.379 1.307 6.456 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.144 2.723 7.150 1.00 0.26 H new ATOM 528 N ALA A 70 10.030 0.631 8.192 1.00 0.23 N ATOM 529 CA ALA A 70 11.350 0.017 8.168 1.00 0.24 C ATOM 530 C ALA A 70 11.305 -1.370 7.533 1.00 0.22 C ATOM 531 O ALA A 70 12.151 -1.715 6.702 1.00 0.25 O ATOM 532 CB ALA A 70 11.912 -0.059 9.580 1.00 0.27 C ATOM 0 H ALA A 70 9.643 0.753 9.128 1.00 0.23 H new ATOM 0 HA ALA A 70 12.005 0.638 7.557 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.900 -0.519 9.554 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.991 0.946 9.995 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.249 -0.658 10.204 1.00 0.27 H new ATOM 538 N ASN A 71 10.303 -2.149 7.905 1.00 0.29 N ATOM 539 CA ASN A 71 10.190 -3.524 7.436 1.00 0.32 C ATOM 540 C ASN A 71 9.693 -3.538 6.000 1.00 0.24 C ATOM 541 O ASN A 71 10.216 -4.264 5.139 1.00 0.20 O ATOM 542 CB ASN A 71 9.236 -4.318 8.334 1.00 0.48 C ATOM 543 CG ASN A 71 9.245 -3.815 9.766 1.00 0.69 C ATOM 544 OD1 ASN A 71 8.327 -3.120 10.199 1.00 1.79 O ATOM 545 ND2 ASN A 71 10.306 -4.113 10.488 1.00 0.71 N ATOM 0 H ASN A 71 9.554 -1.854 8.531 1.00 0.29 H new ATOM 0 HA ASN A 71 11.173 -3.993 7.478 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.224 -4.252 7.934 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.517 -5.371 8.319 1.00 0.48 H new ATOM 0 HD21 ASN A 71 10.387 -3.764 11.443 1.00 0.71 H new ATOM 0 HD22 ASN A 71 11.046 -4.693 10.092 1.00 0.71 H new ATOM 552 N ALA A 72 8.689 -2.710 5.752 1.00 0.26 N ATOM 553 CA ALA A 72 8.134 -2.544 4.416 1.00 0.26 C ATOM 554 C ALA A 72 9.216 -2.079 3.452 1.00 0.20 C ATOM 555 O ALA A 72 9.414 -2.679 2.399 1.00 0.21 O ATOM 556 CB ALA A 72 6.975 -1.555 4.441 1.00 0.32 C ATOM 0 H ALA A 72 8.238 -2.137 6.466 1.00 0.26 H new ATOM 0 HA ALA A 72 7.755 -3.506 4.072 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.571 -1.442 3.435 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.195 -1.926 5.106 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.329 -0.589 4.800 1.00 0.32 H new ATOM 562 N LYS A 73 9.932 -1.023 3.839 1.00 0.19 N ATOM 563 CA LYS A 73 11.025 -0.489 3.032 1.00 0.17 C ATOM 564 C LYS A 73 12.060 -1.567 2.756 1.00 0.18 C ATOM 565 O LYS A 73 12.577 -1.653 1.654 1.00 0.20 O ATOM 566 CB LYS A 73 11.688 0.695 3.745 1.00 0.19 C ATOM 567 CG LYS A 73 12.901 1.273 3.031 1.00 0.31 C ATOM 568 CD LYS A 73 13.662 2.231 3.938 1.00 0.58 C ATOM 569 CE LYS A 73 14.885 2.816 3.248 1.00 0.91 C ATOM 570 NZ LYS A 73 15.767 3.537 4.204 1.00 1.36 N ATOM 0 H LYS A 73 9.772 -0.519 4.711 1.00 0.19 H new ATOM 0 HA LYS A 73 10.611 -0.146 2.084 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.948 1.485 3.872 1.00 0.19 H new ATOM 0 HB3 LYS A 73 11.989 0.377 4.743 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.560 0.465 2.714 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.582 1.796 2.129 1.00 0.31 H new ATOM 0 HD2 LYS A 73 13.000 3.039 4.249 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.972 1.706 4.842 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.448 2.016 2.767 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.566 3.500 2.461 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 16.589 3.921 3.696 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 15.238 4.316 4.645 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 16.092 2.879 4.941 1.00 1.36 H new ATOM 584 N LYS A 74 12.358 -2.389 3.765 1.00 0.20 N ATOM 585 CA LYS A 74 13.294 -3.503 3.603 1.00 0.23 C ATOM 586 C LYS A 74 12.895 -4.359 2.395 1.00 0.20 C ATOM 587 O LYS A 74 13.724 -4.656 1.520 1.00 0.22 O ATOM 588 CB LYS A 74 13.323 -4.359 4.874 1.00 0.31 C ATOM 589 CG LYS A 74 14.256 -5.559 4.793 1.00 1.15 C ATOM 590 CD LYS A 74 14.122 -6.467 6.006 1.00 1.35 C ATOM 591 CE LYS A 74 12.713 -7.027 6.136 1.00 1.67 C ATOM 592 NZ LYS A 74 12.625 -8.084 7.178 1.00 2.48 N ATOM 0 H LYS A 74 11.965 -2.304 4.702 1.00 0.20 H new ATOM 0 HA LYS A 74 14.292 -3.100 3.431 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.625 -3.733 5.714 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.313 -4.711 5.086 1.00 0.31 H new ATOM 0 HG2 LYS A 74 14.038 -6.127 3.889 1.00 1.15 H new ATOM 0 HG3 LYS A 74 15.286 -5.213 4.711 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.834 -7.288 5.926 1.00 1.35 H new ATOM 0 HD3 LYS A 74 14.377 -5.910 6.908 1.00 1.35 H new ATOM 0 HE2 LYS A 74 12.023 -6.219 6.381 1.00 1.67 H new ATOM 0 HE3 LYS A 74 12.396 -7.437 5.177 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 11.993 -8.842 6.851 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 13.572 -8.476 7.356 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 12.249 -7.675 8.057 1.00 2.48 H new ATOM 606 N GLU A 75 11.617 -4.725 2.339 1.00 0.21 N ATOM 607 CA GLU A 75 11.102 -5.531 1.234 1.00 0.22 C ATOM 608 C GLU A 75 11.154 -4.741 -0.076 1.00 0.20 C ATOM 609 O GLU A 75 11.506 -5.275 -1.130 1.00 0.24 O ATOM 610 CB GLU A 75 9.668 -5.975 1.531 1.00 0.29 C ATOM 611 CG GLU A 75 9.124 -7.004 0.552 1.00 0.33 C ATOM 612 CD GLU A 75 9.927 -8.294 0.556 1.00 1.30 C ATOM 613 OE1 GLU A 75 10.602 -8.574 1.571 1.00 2.16 O ATOM 614 OE2 GLU A 75 9.899 -9.025 -0.457 1.00 1.35 O ATOM 0 H GLU A 75 10.921 -4.478 3.042 1.00 0.21 H new ATOM 0 HA GLU A 75 11.729 -6.416 1.127 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.628 -6.390 2.538 1.00 0.29 H new ATOM 0 HB3 GLU A 75 9.018 -5.100 1.521 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.086 -7.225 0.802 1.00 0.33 H new ATOM 0 HG3 GLU A 75 9.127 -6.581 -0.453 1.00 0.33 H new ATOM 621 N MET A 76 10.826 -3.459 0.005 1.00 0.19 N ATOM 622 CA MET A 76 10.819 -2.596 -1.171 1.00 0.20 C ATOM 623 C MET A 76 12.243 -2.397 -1.697 1.00 0.22 C ATOM 624 O MET A 76 12.452 -2.166 -2.889 1.00 0.29 O ATOM 625 CB MET A 76 10.166 -1.249 -0.839 1.00 0.22 C ATOM 626 CG MET A 76 8.792 -1.396 -0.200 1.00 0.24 C ATOM 627 SD MET A 76 7.918 0.164 0.008 1.00 0.39 S ATOM 628 CE MET A 76 7.621 0.646 -1.691 1.00 0.51 C ATOM 0 H MET A 76 10.561 -2.992 0.872 1.00 0.19 H new ATOM 0 HA MET A 76 10.232 -3.077 -1.954 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.817 -0.692 -0.165 1.00 0.22 H new ATOM 0 HB3 MET A 76 10.075 -0.661 -1.752 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.186 -2.063 -0.813 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.903 -1.872 0.774 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.253 1.497 -1.943 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.855 -0.188 -2.352 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.574 0.923 -1.813 1.00 0.51 H new ATOM 638 N VAL A 77 13.219 -2.506 -0.801 1.00 0.20 N ATOM 639 CA VAL A 77 14.622 -2.439 -1.184 1.00 0.26 C ATOM 640 C VAL A 77 15.014 -3.699 -1.948 1.00 0.27 C ATOM 641 O VAL A 77 15.758 -3.633 -2.926 1.00 0.32 O ATOM 642 CB VAL A 77 15.553 -2.246 0.041 1.00 0.37 C ATOM 643 CG1 VAL A 77 17.017 -2.366 -0.354 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.302 -0.894 0.692 1.00 0.96 C ATOM 0 H VAL A 77 13.062 -2.641 0.198 1.00 0.20 H new ATOM 0 HA VAL A 77 14.746 -1.568 -1.827 1.00 0.26 H new ATOM 0 HB VAL A 77 15.326 -3.036 0.757 1.00 0.37 H new ATOM 0 HG11 VAL A 77 17.644 -2.226 0.526 1.00 1.34 H new ATOM 0 HG12 VAL A 77 17.200 -3.354 -0.776 1.00 1.34 H new ATOM 0 HG13 VAL A 77 17.257 -1.604 -1.096 1.00 1.34 H new ATOM 0 HG21 VAL A 77 15.964 -0.775 1.550 1.00 0.96 H new ATOM 0 HG22 VAL A 77 15.497 -0.101 -0.030 1.00 0.96 H new ATOM 0 HG23 VAL A 77 14.265 -0.836 1.023 1.00 0.96 H new ATOM 654 N LYS A 78 14.481 -4.850 -1.525 1.00 0.27 N ATOM 655 CA LYS A 78 14.705 -6.097 -2.255 1.00 0.32 C ATOM 656 C LYS A 78 14.038 -6.051 -3.630 1.00 0.32 C ATOM 657 O LYS A 78 14.407 -6.798 -4.538 1.00 0.40 O ATOM 658 CB LYS A 78 14.171 -7.292 -1.474 1.00 0.43 C ATOM 659 CG LYS A 78 14.942 -7.580 -0.204 1.00 0.59 C ATOM 660 CD LYS A 78 14.495 -8.887 0.420 1.00 0.83 C ATOM 661 CE LYS A 78 15.365 -9.259 1.603 1.00 1.36 C ATOM 662 NZ LYS A 78 15.294 -8.242 2.678 1.00 2.20 N ATOM 0 H LYS A 78 13.899 -4.942 -0.692 1.00 0.27 H new ATOM 0 HA LYS A 78 15.781 -6.210 -2.384 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.126 -7.113 -1.222 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.198 -8.174 -2.113 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.009 -7.624 -0.424 1.00 0.59 H new ATOM 0 HG3 LYS A 78 14.797 -6.766 0.506 1.00 0.59 H new ATOM 0 HD2 LYS A 78 13.457 -8.802 0.742 1.00 0.83 H new ATOM 0 HD3 LYS A 78 14.534 -9.681 -0.326 1.00 0.83 H new ATOM 0 HE2 LYS A 78 15.051 -10.226 1.996 1.00 1.36 H new ATOM 0 HE3 LYS A 78 16.398 -9.369 1.274 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 15.777 -8.600 3.527 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 15.757 -7.367 2.359 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 14.298 -8.044 2.904 1.00 2.20 H new ATOM 676 N SER A 79 13.048 -5.183 -3.772 1.00 0.29 N ATOM 677 CA SER A 79 12.371 -5.007 -5.048 1.00 0.33 C ATOM 678 C SER A 79 13.253 -4.242 -6.038 1.00 0.33 C ATOM 679 O SER A 79 12.994 -4.256 -7.244 1.00 0.42 O ATOM 680 CB SER A 79 11.046 -4.279 -4.843 1.00 0.37 C ATOM 681 OG SER A 79 10.356 -4.122 -6.068 1.00 0.91 O ATOM 0 H SER A 79 12.696 -4.590 -3.021 1.00 0.29 H new ATOM 0 HA SER A 79 12.172 -5.993 -5.468 1.00 0.33 H new ATOM 0 HB2 SER A 79 10.426 -4.837 -4.142 1.00 0.37 H new ATOM 0 HB3 SER A 79 11.230 -3.301 -4.398 1.00 0.37 H new ATOM 0 HG SER A 79 10.992 -4.181 -6.811 1.00 0.91 H new ATOM 687 N LYS A 80 14.280 -3.568 -5.512 1.00 0.31 N ATOM 688 CA LYS A 80 15.284 -2.874 -6.328 1.00 0.35 C ATOM 689 C LYS A 80 14.695 -1.699 -7.110 1.00 0.31 C ATOM 690 O LYS A 80 15.252 -1.281 -8.128 1.00 0.38 O ATOM 691 CB LYS A 80 15.954 -3.847 -7.297 1.00 0.47 C ATOM 692 CG LYS A 80 16.748 -4.943 -6.613 1.00 0.63 C ATOM 693 CD LYS A 80 17.284 -5.935 -7.624 1.00 1.03 C ATOM 694 CE LYS A 80 18.171 -6.972 -6.962 1.00 1.56 C ATOM 695 NZ LYS A 80 18.593 -8.021 -7.923 1.00 2.37 N ATOM 0 H LYS A 80 14.440 -3.487 -4.508 1.00 0.31 H new ATOM 0 HA LYS A 80 16.024 -2.473 -5.636 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.189 -4.303 -7.926 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.618 -3.288 -7.957 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.575 -4.504 -6.055 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.115 -5.459 -5.891 1.00 0.63 H new ATOM 0 HD2 LYS A 80 16.453 -6.431 -8.126 1.00 1.03 H new ATOM 0 HD3 LYS A 80 17.850 -5.406 -8.391 1.00 1.03 H new ATOM 0 HE2 LYS A 80 19.052 -6.485 -6.544 1.00 1.56 H new ATOM 0 HE3 LYS A 80 17.636 -7.432 -6.131 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 19.198 -8.714 -7.437 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 17.753 -8.502 -8.303 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 19.124 -7.584 -8.703 1.00 2.37 H new ATOM 709 N LEU A 81 13.593 -1.149 -6.629 1.00 0.30 N ATOM 710 CA LEU A 81 12.977 -0.013 -7.302 1.00 0.32 C ATOM 711 C LEU A 81 13.621 1.287 -6.837 1.00 0.33 C ATOM 712 O LEU A 81 14.124 1.370 -5.715 1.00 0.35 O ATOM 713 CB LEU A 81 11.469 0.032 -7.044 1.00 0.35 C ATOM 714 CG LEU A 81 10.705 -1.242 -7.399 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.239 -1.095 -7.029 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.840 -1.563 -8.882 1.00 0.87 C ATOM 0 H LEU A 81 13.110 -1.463 -5.787 1.00 0.30 H new ATOM 0 HA LEU A 81 13.137 -0.131 -8.374 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.304 0.252 -5.989 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.045 0.860 -7.612 1.00 0.35 H new ATOM 0 HG LEU A 81 11.135 -2.066 -6.830 1.00 0.47 H new ATOM 0 HD11 LEU A 81 8.705 -2.010 -7.287 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.151 -0.913 -5.958 1.00 1.35 H new ATOM 0 HD13 LEU A 81 8.808 -0.257 -7.576 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.287 -2.475 -9.109 1.00 0.87 H new ATOM 0 HD22 LEU A 81 10.438 -0.739 -9.471 1.00 0.87 H new ATOM 0 HD23 LEU A 81 11.892 -1.706 -9.129 1.00 0.87 H new ATOM 728 N PRO A 82 13.627 2.314 -7.701 1.00 0.34 N ATOM 729 CA PRO A 82 14.138 3.642 -7.351 1.00 0.38 C ATOM 730 C PRO A 82 13.293 4.311 -6.269 1.00 0.35 C ATOM 731 O PRO A 82 12.083 4.077 -6.187 1.00 0.35 O ATOM 732 CB PRO A 82 14.042 4.425 -8.665 1.00 0.41 C ATOM 733 CG PRO A 82 13.021 3.698 -9.470 1.00 0.44 C ATOM 734 CD PRO A 82 13.150 2.255 -9.093 1.00 0.36 C ATOM 0 HA PRO A 82 15.149 3.597 -6.945 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.743 5.458 -8.488 1.00 0.41 H new ATOM 0 HB3 PRO A 82 15.003 4.454 -9.179 1.00 0.41 H new ATOM 0 HG2 PRO A 82 12.019 4.069 -9.256 1.00 0.44 H new ATOM 0 HG3 PRO A 82 13.192 3.839 -10.537 1.00 0.44 H new ATOM 0 HD2 PRO A 82 12.197 1.732 -9.171 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.855 1.731 -9.739 1.00 0.36 H new ATOM 742 N ASN A 83 13.934 5.151 -5.452 1.00 0.35 N ATOM 743 CA ASN A 83 13.261 5.826 -4.336 1.00 0.37 C ATOM 744 C ASN A 83 12.011 6.564 -4.798 1.00 0.33 C ATOM 745 O ASN A 83 11.016 6.613 -4.083 1.00 0.34 O ATOM 746 CB ASN A 83 14.202 6.818 -3.644 1.00 0.47 C ATOM 747 CG ASN A 83 15.481 6.171 -3.151 1.00 1.11 C ATOM 748 OD1 ASN A 83 16.481 6.142 -3.866 1.00 1.94 O ATOM 749 ND2 ASN A 83 15.466 5.660 -1.929 1.00 1.73 N ATOM 0 H ASN A 83 14.923 5.382 -5.542 1.00 0.35 H new ATOM 0 HA ASN A 83 12.970 5.050 -3.629 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.451 7.620 -4.339 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.684 7.275 -2.801 1.00 0.47 H new ATOM 0 HD21 ASN A 83 16.305 5.222 -1.549 1.00 1.73 H new ATOM 0 HD22 ASN A 83 14.615 5.705 -1.368 1.00 1.73 H new ATOM 756 N THR A 84 12.068 7.124 -6.000 1.00 0.35 N ATOM 757 CA THR A 84 10.948 7.868 -6.556 1.00 0.39 C ATOM 758 C THR A 84 9.716 6.965 -6.725 1.00 0.32 C ATOM 759 O THR A 84 8.601 7.340 -6.351 1.00 0.33 O ATOM 760 CB THR A 84 11.342 8.482 -7.912 1.00 0.48 C ATOM 761 OG1 THR A 84 12.644 9.082 -7.807 1.00 1.02 O ATOM 762 CG2 THR A 84 10.330 9.531 -8.357 1.00 1.04 C ATOM 0 H THR A 84 12.884 7.076 -6.610 1.00 0.35 H new ATOM 0 HA THR A 84 10.692 8.668 -5.861 1.00 0.39 H new ATOM 0 HB THR A 84 11.358 7.686 -8.657 1.00 0.48 H new ATOM 0 HG1 THR A 84 12.895 9.471 -8.671 1.00 1.02 H new ATOM 0 HG21 THR A 84 10.635 9.947 -9.317 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.348 9.069 -8.457 1.00 1.04 H new ATOM 0 HG23 THR A 84 10.282 10.328 -7.615 1.00 1.04 H new ATOM 770 N VAL A 85 9.932 5.764 -7.261 1.00 0.30 N ATOM 771 CA VAL A 85 8.849 4.806 -7.459 1.00 0.28 C ATOM 772 C VAL A 85 8.418 4.209 -6.122 1.00 0.22 C ATOM 773 O VAL A 85 7.233 4.012 -5.871 1.00 0.20 O ATOM 774 CB VAL A 85 9.256 3.680 -8.440 1.00 0.33 C ATOM 775 CG1 VAL A 85 8.142 2.651 -8.588 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.617 4.267 -9.795 1.00 0.41 C ATOM 0 H VAL A 85 10.848 5.433 -7.565 1.00 0.30 H new ATOM 0 HA VAL A 85 8.009 5.343 -7.898 1.00 0.28 H new ATOM 0 HB VAL A 85 10.130 3.174 -8.030 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.456 1.872 -9.283 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.927 2.205 -7.617 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.245 3.138 -8.970 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.901 3.464 -10.475 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.757 4.800 -10.202 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.452 4.959 -9.681 1.00 0.41 H new ATOM 786 N LEU A 86 9.387 3.940 -5.261 1.00 0.24 N ATOM 787 CA LEU A 86 9.100 3.432 -3.925 1.00 0.25 C ATOM 788 C LEU A 86 8.229 4.416 -3.154 1.00 0.21 C ATOM 789 O LEU A 86 7.212 4.036 -2.574 1.00 0.23 O ATOM 790 CB LEU A 86 10.399 3.182 -3.159 1.00 0.33 C ATOM 791 CG LEU A 86 11.303 2.094 -3.736 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.555 1.933 -2.886 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.551 0.779 -3.820 1.00 0.37 C ATOM 0 H LEU A 86 10.379 4.064 -5.462 1.00 0.24 H new ATOM 0 HA LEU A 86 8.561 2.490 -4.028 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.962 4.114 -3.119 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.149 2.916 -2.132 1.00 0.33 H new ATOM 0 HG LEU A 86 11.605 2.391 -4.740 1.00 0.37 H new ATOM 0 HD11 LEU A 86 13.187 1.154 -3.313 1.00 0.44 H new ATOM 0 HD12 LEU A 86 13.104 2.874 -2.865 1.00 0.44 H new ATOM 0 HD13 LEU A 86 12.272 1.655 -1.871 1.00 0.44 H new ATOM 0 HD21 LEU A 86 11.206 0.011 -4.233 1.00 0.37 H new ATOM 0 HD22 LEU A 86 10.226 0.481 -2.823 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.680 0.898 -4.465 1.00 0.37 H new ATOM 805 N GLY A 87 8.634 5.680 -3.171 1.00 0.21 N ATOM 806 CA GLY A 87 7.903 6.718 -2.471 1.00 0.22 C ATOM 807 C GLY A 87 6.501 6.899 -3.009 1.00 0.21 C ATOM 808 O GLY A 87 5.553 7.068 -2.244 1.00 0.23 O ATOM 0 H GLY A 87 9.465 6.007 -3.663 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.853 6.471 -1.410 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.446 7.660 -2.554 1.00 0.22 H new ATOM 812 N LYS A 88 6.350 6.853 -4.330 1.00 0.22 N ATOM 813 CA LYS A 88 5.034 7.040 -4.928 1.00 0.29 C ATOM 814 C LYS A 88 4.116 5.872 -4.555 1.00 0.22 C ATOM 815 O LYS A 88 2.942 6.076 -4.251 1.00 0.24 O ATOM 816 CB LYS A 88 5.134 7.220 -6.456 1.00 0.48 C ATOM 817 CG LYS A 88 5.385 5.938 -7.234 1.00 0.97 C ATOM 818 CD LYS A 88 5.803 6.202 -8.676 1.00 0.80 C ATOM 819 CE LYS A 88 4.833 7.117 -9.415 1.00 1.23 C ATOM 820 NZ LYS A 88 5.242 8.547 -9.334 1.00 1.71 N ATOM 0 H LYS A 88 7.107 6.691 -4.994 1.00 0.22 H new ATOM 0 HA LYS A 88 4.598 7.956 -4.529 1.00 0.29 H new ATOM 0 HB2 LYS A 88 4.209 7.672 -6.816 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.938 7.923 -6.673 1.00 0.48 H new ATOM 0 HG2 LYS A 88 6.162 5.360 -6.734 1.00 0.97 H new ATOM 0 HG3 LYS A 88 4.481 5.330 -7.227 1.00 0.97 H new ATOM 0 HD2 LYS A 88 6.796 6.650 -8.685 1.00 0.80 H new ATOM 0 HD3 LYS A 88 5.877 5.253 -9.207 1.00 0.80 H new ATOM 0 HE2 LYS A 88 4.776 6.815 -10.461 1.00 1.23 H new ATOM 0 HE3 LYS A 88 3.834 7.001 -8.995 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 4.894 9.056 -10.172 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 4.838 8.976 -8.477 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 6.279 8.610 -9.297 1.00 1.71 H new ATOM 834 N ILE A 89 4.668 4.657 -4.528 1.00 0.20 N ATOM 835 CA ILE A 89 3.900 3.479 -4.147 1.00 0.20 C ATOM 836 C ILE A 89 3.490 3.573 -2.685 1.00 0.19 C ATOM 837 O ILE A 89 2.371 3.222 -2.324 1.00 0.21 O ATOM 838 CB ILE A 89 4.699 2.172 -4.382 1.00 0.23 C ATOM 839 CG1 ILE A 89 4.932 1.958 -5.879 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.978 0.971 -3.773 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.769 0.736 -6.200 1.00 0.40 C ATOM 0 H ILE A 89 5.642 4.468 -4.765 1.00 0.20 H new ATOM 0 HA ILE A 89 3.011 3.448 -4.777 1.00 0.20 H new ATOM 0 HB ILE A 89 5.665 2.268 -3.887 1.00 0.23 H new ATOM 0 HG12 ILE A 89 3.967 1.867 -6.378 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.422 2.840 -6.291 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.561 0.067 -3.953 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.863 1.121 -2.700 1.00 0.22 H new ATOM 0 HG23 ILE A 89 2.995 0.866 -4.232 1.00 0.22 H new ATOM 0 HD11 ILE A 89 5.890 0.652 -7.280 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.748 0.832 -5.731 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.271 -0.156 -5.820 1.00 0.40 H new ATOM 853 N TRP A 90 4.396 4.067 -1.851 1.00 0.19 N ATOM 854 CA TRP A 90 4.112 4.256 -0.439 1.00 0.22 C ATOM 855 C TRP A 90 2.975 5.259 -0.253 1.00 0.24 C ATOM 856 O TRP A 90 1.990 4.978 0.423 1.00 0.28 O ATOM 857 CB TRP A 90 5.369 4.741 0.286 1.00 0.25 C ATOM 858 CG TRP A 90 5.185 4.922 1.762 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.785 6.060 2.400 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.399 3.943 2.782 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.723 5.844 3.753 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.099 4.554 4.015 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.814 2.609 2.777 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.197 3.877 5.225 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.912 1.939 3.980 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.607 2.575 5.191 1.00 0.19 C ATOM 0 H TRP A 90 5.337 4.344 -2.132 1.00 0.19 H new ATOM 0 HA TRP A 90 3.803 3.301 -0.013 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.174 4.026 0.115 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.686 5.689 -0.150 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.551 6.994 1.911 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.442 6.533 4.451 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.054 2.111 1.849 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.957 4.364 6.159 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.229 0.907 3.988 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.698 2.024 6.116 1.00 0.19 H new ATOM 877 N LYS A 91 3.112 6.418 -0.887 1.00 0.24 N ATOM 878 CA LYS A 91 2.138 7.499 -0.748 1.00 0.30 C ATOM 879 C LYS A 91 0.785 7.141 -1.370 1.00 0.29 C ATOM 880 O LYS A 91 -0.200 7.853 -1.175 1.00 0.36 O ATOM 881 CB LYS A 91 2.692 8.780 -1.378 1.00 0.40 C ATOM 882 CG LYS A 91 3.983 9.264 -0.727 1.00 0.53 C ATOM 883 CD LYS A 91 4.615 10.425 -1.487 1.00 1.04 C ATOM 884 CE LYS A 91 4.036 11.774 -1.077 1.00 1.51 C ATOM 885 NZ LYS A 91 2.599 11.919 -1.429 1.00 2.40 N ATOM 0 H LYS A 91 3.893 6.636 -1.506 1.00 0.24 H new ATOM 0 HA LYS A 91 1.969 7.659 0.317 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.871 8.606 -2.439 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.940 9.566 -1.306 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.777 9.573 0.298 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.692 8.438 -0.674 1.00 0.53 H new ATOM 0 HD2 LYS A 91 5.691 10.427 -1.312 1.00 1.04 H new ATOM 0 HD3 LYS A 91 4.466 10.279 -2.557 1.00 1.04 H new ATOM 0 HE2 LYS A 91 4.156 11.903 -0.001 1.00 1.51 H new ATOM 0 HE3 LYS A 91 4.605 12.569 -1.559 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 2.386 12.920 -1.614 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 2.392 11.358 -2.280 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 2.012 11.580 -0.640 1.00 2.40 H new ATOM 899 N LEU A 92 0.746 6.065 -2.147 1.00 0.27 N ATOM 900 CA LEU A 92 -0.516 5.562 -2.686 1.00 0.32 C ATOM 901 C LEU A 92 -1.105 4.480 -1.791 1.00 0.30 C ATOM 902 O LEU A 92 -2.283 4.520 -1.436 1.00 0.43 O ATOM 903 CB LEU A 92 -0.311 4.983 -4.076 1.00 0.40 C ATOM 904 CG LEU A 92 0.135 5.979 -5.136 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.596 5.235 -6.373 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.990 6.950 -5.471 1.00 1.08 C ATOM 0 H LEU A 92 1.568 5.525 -2.418 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.206 6.405 -2.733 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.431 4.187 -4.014 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.245 4.524 -4.402 1.00 0.40 H new ATOM 0 HG LEU A 92 0.970 6.562 -4.747 1.00 0.59 H new ATOM 0 HD11 LEU A 92 0.915 5.951 -7.131 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.431 4.583 -6.116 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.226 4.635 -6.764 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.649 7.653 -6.231 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.849 6.395 -5.849 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.278 7.497 -4.573 1.00 1.08 H new ATOM 918 N ALA A 93 -0.270 3.507 -1.443 1.00 0.22 N ATOM 919 CA ALA A 93 -0.714 2.332 -0.710 1.00 0.21 C ATOM 920 C ALA A 93 -1.035 2.661 0.737 1.00 0.19 C ATOM 921 O ALA A 93 -1.923 2.052 1.336 1.00 0.30 O ATOM 922 CB ALA A 93 0.339 1.240 -0.778 1.00 0.23 C ATOM 0 H ALA A 93 0.727 3.512 -1.660 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.631 1.976 -1.181 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -0.007 0.366 -0.225 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.512 0.966 -1.819 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.268 1.603 -0.339 1.00 0.23 H new ATOM 928 N ASP A 94 -0.317 3.621 1.299 1.00 0.18 N ATOM 929 CA ASP A 94 -0.536 3.992 2.693 1.00 0.18 C ATOM 930 C ASP A 94 -1.615 5.060 2.780 1.00 0.33 C ATOM 931 O ASP A 94 -1.333 6.260 2.824 1.00 0.45 O ATOM 932 CB ASP A 94 0.759 4.470 3.364 1.00 0.30 C ATOM 933 CG ASP A 94 0.598 4.676 4.864 1.00 0.25 C ATOM 934 OD1 ASP A 94 0.013 3.794 5.540 1.00 0.30 O ATOM 935 OD2 ASP A 94 1.064 5.702 5.385 1.00 0.31 O ATOM 0 H ASP A 94 0.412 4.152 0.822 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.868 3.105 3.232 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.548 3.740 3.184 1.00 0.30 H new ATOM 0 HB3 ASP A 94 1.078 5.405 2.904 1.00 0.30 H new ATOM 940 N VAL A 95 -2.860 4.606 2.777 1.00 0.51 N ATOM 941 CA VAL A 95 -4.007 5.500 2.806 1.00 0.71 C ATOM 942 C VAL A 95 -4.142 6.188 4.152 1.00 0.72 C ATOM 943 O VAL A 95 -4.662 7.303 4.232 1.00 0.80 O ATOM 944 CB VAL A 95 -5.327 4.772 2.484 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.425 4.501 0.996 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.438 3.476 3.273 1.00 0.95 C ATOM 0 H VAL A 95 -3.102 3.615 2.755 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.823 6.245 2.032 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.156 5.416 2.777 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.361 3.986 0.781 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -5.396 5.445 0.452 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.588 3.876 0.684 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.378 2.981 3.029 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.605 2.821 3.016 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.411 3.696 4.340 1.00 0.95 H new ATOM 956 N ASP A 96 -3.682 5.529 5.209 1.00 0.70 N ATOM 957 CA ASP A 96 -3.755 6.107 6.543 1.00 0.78 C ATOM 958 C ASP A 96 -2.720 7.201 6.698 1.00 0.75 C ATOM 959 O ASP A 96 -2.845 8.062 7.572 1.00 0.88 O ATOM 960 CB ASP A 96 -3.551 5.049 7.634 1.00 0.96 C ATOM 961 CG ASP A 96 -4.570 3.929 7.571 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.780 4.215 7.661 1.00 1.02 O ATOM 963 OD2 ASP A 96 -4.158 2.762 7.430 1.00 1.12 O ATOM 0 H ASP A 96 -3.258 4.602 5.168 1.00 0.70 H new ATOM 0 HA ASP A 96 -4.754 6.527 6.661 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.550 4.628 7.541 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.606 5.528 8.612 1.00 0.96 H new ATOM 968 N LYS A 97 -1.706 7.167 5.829 1.00 0.66 N ATOM 969 CA LYS A 97 -0.635 8.163 5.827 1.00 0.70 C ATOM 970 C LYS A 97 0.054 8.156 7.184 1.00 0.70 C ATOM 971 O LYS A 97 0.643 9.146 7.620 1.00 0.86 O ATOM 972 CB LYS A 97 -1.214 9.543 5.501 1.00 0.86 C ATOM 973 CG LYS A 97 -2.332 9.476 4.473 1.00 0.89 C ATOM 974 CD LYS A 97 -2.783 10.847 4.018 1.00 1.15 C ATOM 975 CE LYS A 97 -3.892 10.727 2.986 1.00 1.38 C ATOM 976 NZ LYS A 97 -4.378 12.055 2.527 1.00 1.68 N ATOM 0 H LYS A 97 -1.606 6.450 5.110 1.00 0.66 H new ATOM 0 HA LYS A 97 0.104 7.921 5.063 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -1.592 10.000 6.415 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -0.419 10.188 5.127 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -1.994 8.903 3.610 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -3.181 8.940 4.898 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -3.135 11.423 4.874 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -1.940 11.391 3.593 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -3.529 10.159 2.129 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -4.723 10.165 3.412 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -5.133 11.924 1.824 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -4.749 12.589 3.339 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -3.592 12.582 2.096 1.00 1.68 H new ATOM 990 N ASP A 98 0.003 6.990 7.818 1.00 0.56 N ATOM 991 CA ASP A 98 0.403 6.829 9.203 1.00 0.59 C ATOM 992 C ASP A 98 1.816 6.279 9.311 1.00 0.45 C ATOM 993 O ASP A 98 2.271 5.924 10.400 1.00 0.46 O ATOM 994 CB ASP A 98 -0.592 5.896 9.921 1.00 0.67 C ATOM 995 CG ASP A 98 -0.643 4.473 9.361 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.660 4.287 8.113 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.709 3.523 10.162 1.00 0.71 O ATOM 0 H ASP A 98 -0.319 6.127 7.379 1.00 0.56 H new ATOM 0 HA ASP A 98 0.394 7.808 9.681 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.328 5.848 10.978 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.589 6.333 9.861 1.00 0.67 H new ATOM 1002 N GLY A 99 2.512 6.229 8.177 1.00 0.39 N ATOM 1003 CA GLY A 99 3.878 5.732 8.160 1.00 0.38 C ATOM 1004 C GLY A 99 3.935 4.257 8.480 1.00 0.29 C ATOM 1005 O GLY A 99 5.009 3.682 8.676 1.00 0.39 O ATOM 0 H GLY A 99 2.154 6.524 7.269 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.319 5.910 7.179 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.477 6.286 8.883 1.00 0.38 H new ATOM 1009 N LEU A 100 2.763 3.650 8.525 1.00 0.28 N ATOM 1010 CA LEU A 100 2.620 2.263 8.899 1.00 0.33 C ATOM 1011 C LEU A 100 1.753 1.542 7.893 1.00 0.29 C ATOM 1012 O LEU A 100 0.723 2.066 7.464 1.00 0.39 O ATOM 1013 CB LEU A 100 1.997 2.154 10.291 1.00 0.53 C ATOM 1014 CG LEU A 100 2.924 2.519 11.452 1.00 0.59 C ATOM 1015 CD1 LEU A 100 2.323 2.093 12.774 1.00 1.37 C ATOM 1016 CD2 LEU A 100 4.275 1.870 11.271 1.00 1.11 C ATOM 0 H LEU A 100 1.881 4.112 8.301 1.00 0.28 H new ATOM 0 HA LEU A 100 3.607 1.801 8.915 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.120 2.801 10.330 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.646 1.132 10.435 1.00 0.53 H new ATOM 0 HG LEU A 100 3.047 3.602 11.458 1.00 0.59 H new ATOM 0 HD11 LEU A 100 3.000 2.363 13.585 1.00 1.37 H new ATOM 0 HD12 LEU A 100 1.366 2.595 12.917 1.00 1.37 H new ATOM 0 HD13 LEU A 100 2.170 1.014 12.773 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.923 2.139 12.105 1.00 1.11 H new ATOM 0 HD22 LEU A 100 4.157 0.787 11.238 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.722 2.214 10.338 1.00 1.11 H new ATOM 1028 N LEU A 101 2.165 0.346 7.518 1.00 0.28 N ATOM 1029 CA LEU A 101 1.403 -0.448 6.577 1.00 0.27 C ATOM 1030 C LEU A 101 0.697 -1.584 7.293 1.00 0.27 C ATOM 1031 O LEU A 101 1.338 -2.479 7.844 1.00 0.31 O ATOM 1032 CB LEU A 101 2.297 -1.011 5.468 1.00 0.29 C ATOM 1033 CG LEU A 101 2.916 0.026 4.527 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.649 -0.667 3.390 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.852 0.972 3.980 1.00 0.34 C ATOM 0 H LEU A 101 3.022 -0.096 7.851 1.00 0.28 H new ATOM 0 HA LEU A 101 0.661 0.206 6.119 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.102 -1.582 5.930 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.710 -1.711 4.873 1.00 0.29 H new ATOM 0 HG LEU A 101 3.632 0.619 5.096 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.085 0.082 2.728 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.441 -1.296 3.797 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.948 -1.284 2.828 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.318 1.698 3.315 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.106 0.400 3.428 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.370 1.494 4.806 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.621 -1.511 7.331 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.439 -2.622 7.798 1.00 0.33 C ATOM 1049 C ASP A 102 -1.465 -3.714 6.741 1.00 0.26 C ATOM 1050 O ASP A 102 -0.843 -3.573 5.686 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.866 -2.155 8.091 1.00 0.44 C ATOM 1052 CG ASP A 102 -2.914 -1.116 9.188 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.390 -0.002 8.984 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -3.495 -1.406 10.252 1.00 1.39 O ATOM 0 H ASP A 102 -1.153 -0.690 7.043 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.005 -3.012 8.719 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.305 -1.742 7.183 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.475 -3.012 8.378 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.206 -4.779 7.010 1.00 0.32 N ATOM 1060 CA ASP A 103 -2.296 -5.908 6.086 1.00 0.35 C ATOM 1061 C ASP A 103 -2.781 -5.435 4.714 1.00 0.26 C ATOM 1062 O ASP A 103 -2.221 -5.801 3.680 1.00 0.24 O ATOM 1063 CB ASP A 103 -3.244 -6.967 6.666 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.380 -8.207 5.796 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -2.418 -8.521 5.058 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.441 -8.861 5.830 1.00 1.17 O ATOM 0 H ASP A 103 -2.756 -4.888 7.862 1.00 0.32 H new ATOM 0 HA ASP A 103 -1.308 -6.351 5.958 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.885 -7.263 7.652 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -4.229 -6.522 6.806 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.782 -4.560 4.717 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.340 -4.035 3.477 1.00 0.25 C ATOM 1073 C GLU A 104 -3.316 -3.176 2.739 1.00 0.22 C ATOM 1074 O GLU A 104 -3.003 -3.422 1.573 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.589 -3.192 3.754 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.545 -3.804 4.765 1.00 0.32 C ATOM 1077 CD GLU A 104 -6.868 -5.253 4.467 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -7.322 -5.534 3.343 1.00 1.38 O ATOM 1079 OE2 GLU A 104 -6.676 -6.110 5.352 1.00 2.29 O ATOM 0 H GLU A 104 -4.222 -4.200 5.564 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.610 -4.889 2.855 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.279 -2.211 4.113 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.122 -3.035 2.816 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.108 -3.732 5.761 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -7.469 -3.226 4.780 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.784 -2.177 3.433 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.873 -1.219 2.821 1.00 0.18 C ATOM 1088 C GLU A 105 -0.625 -1.914 2.274 1.00 0.17 C ATOM 1089 O GLU A 105 -0.141 -1.578 1.193 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.472 -0.140 3.828 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.650 0.624 4.418 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.207 1.769 5.310 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.541 1.525 6.331 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.549 2.931 5.020 1.00 0.39 O ATOM 0 H GLU A 105 -2.969 -2.010 4.422 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.396 -0.749 1.988 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.911 -0.604 4.639 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.801 0.567 3.340 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.268 1.015 3.610 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.273 -0.061 4.993 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.124 -2.899 3.009 1.00 0.17 N ATOM 1102 CA PHE A 106 1.077 -3.615 2.604 1.00 0.18 C ATOM 1103 C PHE A 106 0.782 -4.565 1.445 1.00 0.18 C ATOM 1104 O PHE A 106 1.663 -4.871 0.637 1.00 0.21 O ATOM 1105 CB PHE A 106 1.665 -4.389 3.784 1.00 0.21 C ATOM 1106 CG PHE A 106 2.911 -5.153 3.439 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.069 -4.483 3.081 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.924 -6.537 3.484 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.219 -5.184 2.771 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.069 -7.244 3.174 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.209 -6.567 2.783 1.00 0.29 C ATOM 0 H PHE A 106 -0.531 -3.219 3.888 1.00 0.17 H new ATOM 0 HA PHE A 106 1.809 -2.880 2.268 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.888 -3.691 4.591 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.915 -5.084 4.162 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.073 -3.404 3.044 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.028 -7.070 3.765 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.125 -4.652 2.520 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.074 -8.322 3.237 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.090 -7.117 2.487 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.466 -4.996 1.335 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.847 -5.928 0.290 1.00 0.24 C ATOM 1123 C ALA A 107 -0.959 -5.170 -1.012 1.00 0.23 C ATOM 1124 O ALA A 107 -0.493 -5.610 -2.063 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.158 -6.625 0.625 1.00 0.34 C ATOM 0 H ALA A 107 -1.227 -4.716 1.954 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.086 -6.704 0.201 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.417 -7.317 -0.176 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.049 -7.176 1.559 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -2.948 -5.882 0.733 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.555 -4.002 -0.916 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.635 -3.095 -2.037 1.00 0.28 C ATOM 1133 C LEU A 108 -0.227 -2.649 -2.447 1.00 0.23 C ATOM 1134 O LEU A 108 0.072 -2.523 -3.639 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.516 -1.897 -1.669 1.00 0.38 C ATOM 1136 CG LEU A 108 -2.422 -0.713 -2.621 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -2.826 -1.114 -4.035 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.289 0.436 -2.137 1.00 1.31 C ATOM 0 H LEU A 108 -1.995 -3.657 -0.063 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.089 -3.601 -2.889 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -3.554 -2.228 -1.626 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.247 -1.561 -0.668 1.00 0.38 H new ATOM 0 HG LEU A 108 -1.383 -0.384 -2.640 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -2.750 -0.249 -4.694 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -2.164 -1.903 -4.393 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -3.854 -1.477 -4.031 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -3.207 1.272 -2.832 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.328 0.110 -2.082 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -2.956 0.752 -1.149 1.00 1.31 H new ATOM 1150 N ALA A 109 0.638 -2.446 -1.454 1.00 0.23 N ATOM 1151 CA ALA A 109 2.033 -2.088 -1.704 1.00 0.24 C ATOM 1152 C ALA A 109 2.712 -3.126 -2.583 1.00 0.23 C ATOM 1153 O ALA A 109 3.225 -2.803 -3.652 1.00 0.24 O ATOM 1154 CB ALA A 109 2.795 -1.945 -0.394 1.00 0.27 C ATOM 0 H ALA A 109 0.396 -2.524 -0.466 1.00 0.23 H new ATOM 0 HA ALA A 109 2.041 -1.130 -2.225 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.831 -1.678 -0.603 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.334 -1.164 0.212 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.766 -2.890 0.149 1.00 0.27 H new ATOM 1160 N ASN A 110 2.693 -4.382 -2.137 1.00 0.24 N ATOM 1161 CA ASN A 110 3.333 -5.470 -2.880 1.00 0.26 C ATOM 1162 C ASN A 110 2.685 -5.663 -4.241 1.00 0.25 C ATOM 1163 O ASN A 110 3.348 -6.054 -5.201 1.00 0.26 O ATOM 1164 CB ASN A 110 3.282 -6.787 -2.102 1.00 0.28 C ATOM 1165 CG ASN A 110 4.438 -6.952 -1.133 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.929 -5.853 -0.590 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 4.888 -8.065 -0.874 1.00 0.55 N flip ATOM 0 H ASN A 110 2.244 -4.672 -1.268 1.00 0.24 H new ATOM 0 HA ASN A 110 4.376 -5.185 -3.020 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.343 -6.840 -1.551 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.285 -7.619 -2.807 1.00 0.28 H new ATOM 0 HD21 ASN A 110 4.484 -8.893 -1.312 1.00 0.55 H new ATOM 0 HD22 ASN A 110 5.666 -8.161 -0.221 1.00 0.55 H new ATOM 1174 N HIS A 111 1.395 -5.379 -4.326 1.00 0.24 N ATOM 1175 CA HIS A 111 0.676 -5.517 -5.581 1.00 0.26 C ATOM 1176 C HIS A 111 1.180 -4.492 -6.597 1.00 0.24 C ATOM 1177 O HIS A 111 1.340 -4.812 -7.770 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.830 -5.352 -5.363 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.669 -5.961 -6.449 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.484 -7.051 -6.242 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -1.825 -5.623 -7.752 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -3.107 -7.354 -7.365 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.725 -6.505 -8.301 1.00 0.73 N ATOM 0 H HIS A 111 0.827 -5.053 -3.544 1.00 0.24 H new ATOM 0 HA HIS A 111 0.859 -6.518 -5.972 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.102 -5.805 -4.410 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.063 -4.290 -5.289 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -1.333 -4.810 -8.265 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.812 -8.162 -7.496 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.044 -6.504 -9.270 1.00 0.73 H new ATOM 1192 N LEU A 112 1.428 -3.266 -6.138 1.00 0.24 N ATOM 1193 CA LEU A 112 1.987 -2.220 -6.997 1.00 0.23 C ATOM 1194 C LEU A 112 3.442 -2.533 -7.322 1.00 0.24 C ATOM 1195 O LEU A 112 3.900 -2.335 -8.447 1.00 0.27 O ATOM 1196 CB LEU A 112 1.887 -0.849 -6.311 1.00 0.23 C ATOM 1197 CG LEU A 112 0.465 -0.325 -6.105 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.488 0.979 -5.326 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.230 -0.132 -7.443 1.00 0.22 C ATOM 0 H LEU A 112 1.251 -2.972 -5.177 1.00 0.24 H new ATOM 0 HA LEU A 112 1.413 -2.189 -7.923 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.379 -0.910 -5.340 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.442 -0.123 -6.904 1.00 0.23 H new ATOM 0 HG LEU A 112 -0.094 -1.062 -5.529 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.532 1.338 -5.188 1.00 0.23 H new ATOM 0 HD12 LEU A 112 0.949 0.813 -4.352 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.063 1.722 -5.878 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.241 0.241 -7.278 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.329 0.587 -8.043 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.277 -1.085 -7.969 1.00 0.22 H new ATOM 1211 N ILE A 113 4.151 -3.035 -6.322 1.00 0.28 N ATOM 1212 CA ILE A 113 5.541 -3.445 -6.489 1.00 0.32 C ATOM 1213 C ILE A 113 5.681 -4.479 -7.604 1.00 0.35 C ATOM 1214 O ILE A 113 6.459 -4.297 -8.541 1.00 0.38 O ATOM 1215 CB ILE A 113 6.115 -4.025 -5.173 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.302 -2.910 -4.141 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.432 -4.758 -5.411 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.768 -3.401 -2.785 1.00 0.43 C ATOM 0 H ILE A 113 3.785 -3.170 -5.379 1.00 0.28 H new ATOM 0 HA ILE A 113 6.108 -2.554 -6.760 1.00 0.32 H new ATOM 0 HB ILE A 113 5.399 -4.750 -4.787 1.00 0.37 H new ATOM 0 HG12 ILE A 113 7.026 -2.191 -4.525 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.358 -2.379 -4.020 1.00 0.37 H new ATOM 0 HG21 ILE A 113 7.805 -5.152 -4.466 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.270 -5.580 -6.108 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.163 -4.066 -5.830 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.877 -2.553 -2.109 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.034 -4.097 -2.378 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.728 -3.906 -2.891 1.00 0.43 H new ATOM 1230 N LYS A 114 4.909 -5.554 -7.509 1.00 0.38 N ATOM 1231 CA LYS A 114 5.028 -6.639 -8.461 1.00 0.46 C ATOM 1232 C LYS A 114 4.372 -6.277 -9.788 1.00 0.45 C ATOM 1233 O LYS A 114 4.746 -6.810 -10.829 1.00 0.49 O ATOM 1234 CB LYS A 114 4.436 -7.938 -7.897 1.00 0.57 C ATOM 1235 CG LYS A 114 2.974 -8.174 -8.241 1.00 0.71 C ATOM 1236 CD LYS A 114 2.566 -9.602 -7.922 1.00 0.79 C ATOM 1237 CE LYS A 114 1.238 -9.955 -8.557 1.00 1.39 C ATOM 1238 NZ LYS A 114 0.918 -11.396 -8.389 1.00 1.81 N ATOM 0 H LYS A 114 4.201 -5.693 -6.788 1.00 0.38 H new ATOM 0 HA LYS A 114 6.090 -6.805 -8.643 1.00 0.46 H new ATOM 0 HB2 LYS A 114 5.022 -8.779 -8.268 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.543 -7.928 -6.812 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.348 -7.479 -7.682 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.808 -7.972 -9.299 1.00 0.71 H new ATOM 0 HD2 LYS A 114 3.334 -10.289 -8.277 1.00 0.79 H new ATOM 0 HD3 LYS A 114 2.499 -9.730 -6.842 1.00 0.79 H new ATOM 0 HE2 LYS A 114 0.448 -9.352 -8.110 1.00 1.39 H new ATOM 0 HE3 LYS A 114 1.265 -9.709 -9.619 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 0.018 -11.610 -8.865 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 1.676 -11.971 -8.808 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 0.835 -11.617 -7.376 1.00 1.81 H new ATOM 1252 N VAL A 115 3.403 -5.364 -9.764 1.00 0.43 N ATOM 1253 CA VAL A 115 2.738 -4.959 -10.992 1.00 0.46 C ATOM 1254 C VAL A 115 3.722 -4.177 -11.864 1.00 0.43 C ATOM 1255 O VAL A 115 3.762 -4.353 -13.083 1.00 0.48 O ATOM 1256 CB VAL A 115 1.436 -4.144 -10.730 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.706 -2.656 -10.544 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.424 -4.375 -11.846 1.00 0.76 C ATOM 0 H VAL A 115 3.068 -4.899 -8.920 1.00 0.43 H new ATOM 0 HA VAL A 115 2.422 -5.859 -11.519 1.00 0.46 H new ATOM 0 HB VAL A 115 1.016 -4.508 -9.792 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.765 -2.135 -10.365 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.370 -2.510 -9.692 1.00 0.91 H new ATOM 0 HG13 VAL A 115 2.176 -2.256 -11.442 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.478 -3.797 -11.644 1.00 0.76 H new ATOM 0 HG22 VAL A 115 0.853 -4.059 -12.797 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.173 -5.434 -11.896 1.00 0.76 H new ATOM 1268 N LYS A 116 4.543 -3.346 -11.223 1.00 0.40 N ATOM 1269 CA LYS A 116 5.620 -2.662 -11.901 1.00 0.41 C ATOM 1270 C LYS A 116 6.667 -3.668 -12.369 1.00 0.47 C ATOM 1271 O LYS A 116 7.209 -3.551 -13.466 1.00 0.54 O ATOM 1272 CB LYS A 116 6.254 -1.663 -10.942 1.00 0.39 C ATOM 1273 CG LYS A 116 7.043 -0.574 -11.624 1.00 0.88 C ATOM 1274 CD LYS A 116 6.136 0.313 -12.454 1.00 0.77 C ATOM 1275 CE LYS A 116 6.884 1.521 -12.960 1.00 0.85 C ATOM 1276 NZ LYS A 116 7.899 1.162 -13.982 1.00 1.06 N ATOM 0 H LYS A 116 4.474 -3.136 -10.227 1.00 0.40 H new ATOM 0 HA LYS A 116 5.227 -2.138 -12.772 1.00 0.41 H new ATOM 0 HB2 LYS A 116 5.470 -1.206 -10.339 1.00 0.39 H new ATOM 0 HB3 LYS A 116 6.911 -2.199 -10.257 1.00 0.39 H new ATOM 0 HG2 LYS A 116 7.562 0.027 -10.877 1.00 0.88 H new ATOM 0 HG3 LYS A 116 7.807 -1.018 -12.262 1.00 0.88 H new ATOM 0 HD2 LYS A 116 5.738 -0.253 -13.296 1.00 0.77 H new ATOM 0 HD3 LYS A 116 5.284 0.632 -11.854 1.00 0.77 H new ATOM 0 HE2 LYS A 116 6.177 2.232 -13.386 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.373 2.020 -12.124 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 8.365 2.025 -14.326 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 8.609 0.530 -13.559 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 7.435 0.678 -14.777 1.00 1.06 H new ATOM 1290 N LEU A 117 6.933 -4.662 -11.528 1.00 0.47 N ATOM 1291 CA LEU A 117 7.912 -5.695 -11.836 1.00 0.57 C ATOM 1292 C LEU A 117 7.511 -6.480 -13.084 1.00 0.64 C ATOM 1293 O LEU A 117 8.353 -6.815 -13.914 1.00 0.75 O ATOM 1294 CB LEU A 117 8.058 -6.639 -10.643 1.00 0.59 C ATOM 1295 CG LEU A 117 9.175 -7.672 -10.765 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.531 -6.991 -10.838 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.138 -8.642 -9.597 1.00 1.59 C ATOM 0 H LEU A 117 6.479 -4.773 -10.621 1.00 0.47 H new ATOM 0 HA LEU A 117 8.869 -5.214 -12.036 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.233 -6.043 -9.747 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.114 -7.164 -10.498 1.00 0.59 H new ATOM 0 HG LEU A 117 9.018 -8.232 -11.687 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.313 -7.745 -10.925 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.562 -6.335 -11.708 1.00 1.48 H new ATOM 0 HD13 LEU A 117 10.692 -6.404 -9.934 1.00 1.48 H new ATOM 0 HD21 LEU A 117 9.942 -9.370 -9.703 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.266 -8.093 -8.664 1.00 1.59 H new ATOM 0 HD23 LEU A 117 8.179 -9.160 -9.584 1.00 1.59 H new ATOM 1309 N GLU A 118 6.216 -6.764 -13.215 1.00 0.61 N ATOM 1310 CA GLU A 118 5.700 -7.475 -14.382 1.00 0.69 C ATOM 1311 C GLU A 118 5.729 -6.582 -15.627 1.00 0.70 C ATOM 1312 O GLU A 118 5.487 -7.046 -16.743 1.00 0.85 O ATOM 1313 CB GLU A 118 4.269 -7.971 -14.137 1.00 0.70 C ATOM 1314 CG GLU A 118 4.121 -8.925 -12.963 1.00 0.80 C ATOM 1315 CD GLU A 118 2.708 -9.460 -12.829 1.00 1.36 C ATOM 1316 OE1 GLU A 118 1.751 -8.683 -13.026 1.00 1.71 O ATOM 1317 OE2 GLU A 118 2.544 -10.663 -12.534 1.00 2.05 O ATOM 0 H GLU A 118 5.506 -6.512 -12.527 1.00 0.61 H new ATOM 0 HA GLU A 118 6.347 -8.336 -14.551 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.623 -7.109 -13.971 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.912 -8.468 -15.039 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.812 -9.759 -13.086 1.00 0.80 H new ATOM 0 HG3 GLU A 118 4.401 -8.412 -12.043 1.00 0.80 H new ATOM 1324 N GLY A 119 6.012 -5.299 -15.430 1.00 0.60 N ATOM 1325 CA GLY A 119 6.133 -4.389 -16.552 1.00 0.62 C ATOM 1326 C GLY A 119 4.878 -3.575 -16.778 1.00 0.65 C ATOM 1327 O GLY A 119 4.654 -3.063 -17.877 1.00 0.68 O ATOM 0 H GLY A 119 6.159 -4.874 -14.515 1.00 0.60 H new ATOM 0 HA2 GLY A 119 6.973 -3.715 -16.380 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.360 -4.958 -17.454 1.00 0.62 H new ATOM 1331 N HIS A 120 4.049 -3.457 -15.754 1.00 0.70 N ATOM 1332 CA HIS A 120 2.836 -2.666 -15.864 1.00 0.78 C ATOM 1333 C HIS A 120 3.067 -1.302 -15.239 1.00 0.75 C ATOM 1334 O HIS A 120 3.396 -1.202 -14.054 1.00 0.92 O ATOM 1335 CB HIS A 120 1.653 -3.349 -15.173 1.00 0.80 C ATOM 1336 CG HIS A 120 1.437 -4.772 -15.591 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.674 -5.928 -14.932 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.928 -5.134 -16.817 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 1.311 -6.953 -15.763 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.863 -6.448 -16.894 1.00 1.10 N flip ATOM 0 H HIS A 120 4.192 -3.895 -14.844 1.00 0.70 H new ATOM 0 HA HIS A 120 2.594 -2.562 -16.922 1.00 0.78 H new ATOM 0 HB2 HIS A 120 1.809 -3.318 -14.095 1.00 0.80 H new ATOM 0 HB3 HIS A 120 0.747 -2.779 -15.380 1.00 0.80 H new ATOM 0 HD2 HIS A 120 0.628 -4.448 -17.595 1.00 0.97 H new ATOM 0 HE1 HIS A 120 1.381 -8.005 -15.529 1.00 1.16 H new ATOM 0 HE2 HIS A 120 0.524 -6.983 -17.693 1.00 1.10 H new ATOM 1349 N GLU A 121 2.896 -0.258 -16.027 1.00 0.78 N ATOM 1350 CA GLU A 121 3.149 1.088 -15.555 1.00 0.84 C ATOM 1351 C GLU A 121 1.960 1.603 -14.758 1.00 0.84 C ATOM 1352 O GLU A 121 0.939 1.999 -15.327 1.00 0.98 O ATOM 1353 CB GLU A 121 3.458 2.018 -16.728 1.00 1.05 C ATOM 1354 CG GLU A 121 4.708 1.619 -17.498 1.00 1.71 C ATOM 1355 CD GLU A 121 5.952 1.656 -16.635 1.00 2.10 C ATOM 1356 OE1 GLU A 121 6.599 2.719 -16.555 1.00 2.11 O ATOM 1357 OE2 GLU A 121 6.288 0.619 -16.031 1.00 2.69 O ATOM 0 H GLU A 121 2.583 -0.317 -16.996 1.00 0.78 H new ATOM 0 HA GLU A 121 4.019 1.067 -14.898 1.00 0.84 H new ATOM 0 HB2 GLU A 121 2.607 2.027 -17.409 1.00 1.05 H new ATOM 0 HB3 GLU A 121 3.579 3.035 -16.355 1.00 1.05 H new ATOM 0 HG2 GLU A 121 4.578 0.615 -17.901 1.00 1.71 H new ATOM 0 HG3 GLU A 121 4.838 2.289 -18.348 1.00 1.71 H new ATOM 1364 N LEU A 122 2.083 1.556 -13.436 1.00 0.88 N ATOM 1365 CA LEU A 122 1.047 2.067 -12.555 1.00 0.89 C ATOM 1366 C LEU A 122 0.846 3.559 -12.804 1.00 0.96 C ATOM 1367 O LEU A 122 1.811 4.316 -12.909 1.00 1.08 O ATOM 1368 CB LEU A 122 1.391 1.761 -11.084 1.00 0.90 C ATOM 1369 CG LEU A 122 2.816 2.107 -10.630 1.00 0.58 C ATOM 1370 CD1 LEU A 122 2.902 3.537 -10.111 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.276 1.126 -9.565 1.00 0.74 C ATOM 0 H LEU A 122 2.893 1.168 -12.953 1.00 0.88 H new ATOM 0 HA LEU A 122 0.104 1.566 -12.772 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.689 2.302 -10.449 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.225 0.698 -10.908 1.00 0.90 H new ATOM 0 HG LEU A 122 3.475 2.029 -11.494 1.00 0.58 H new ATOM 0 HD11 LEU A 122 3.924 3.750 -9.798 1.00 1.21 H new ATOM 0 HD12 LEU A 122 2.614 4.229 -10.902 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.230 3.657 -9.261 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.288 1.380 -9.249 1.00 0.74 H new ATOM 0 HD22 LEU A 122 2.605 1.178 -8.708 1.00 0.74 H new ATOM 0 HD23 LEU A 122 3.266 0.115 -9.973 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.418 3.996 -12.926 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.754 5.374 -13.315 1.00 1.15 C ATOM 1385 C PRO A 123 -0.500 6.397 -12.214 1.00 1.04 C ATOM 1386 O PRO A 123 -0.821 7.575 -12.376 1.00 1.16 O ATOM 1387 CB PRO A 123 -2.247 5.292 -13.620 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.745 4.176 -12.771 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.626 3.174 -12.715 1.00 1.01 C ATOM 0 HA PRO A 123 -0.137 5.712 -14.148 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.752 6.228 -13.380 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -2.425 5.095 -14.677 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -3.004 4.529 -11.773 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.646 3.733 -13.196 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.597 2.657 -11.756 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.732 2.410 -13.486 1.00 1.01 H new ATOM 1397 N ALA A 124 0.076 5.940 -11.101 1.00 0.88 N ATOM 1398 CA ALA A 124 0.339 6.792 -9.941 1.00 0.86 C ATOM 1399 C ALA A 124 -0.964 7.311 -9.342 1.00 0.82 C ATOM 1400 O ALA A 124 -1.001 8.374 -8.719 1.00 0.88 O ATOM 1401 CB ALA A 124 1.262 7.949 -10.311 1.00 1.06 C ATOM 0 H ALA A 124 0.372 4.972 -10.979 1.00 0.88 H new ATOM 0 HA ALA A 124 0.842 6.186 -9.187 1.00 0.86 H new ATOM 0 HB1 ALA A 124 1.442 8.567 -9.431 1.00 1.06 H new ATOM 0 HB2 ALA A 124 2.210 7.555 -10.677 1.00 1.06 H new ATOM 0 HB3 ALA A 124 0.795 8.553 -11.089 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.031 6.544 -9.522 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.328 6.909 -8.977 1.00 0.84 C ATOM 1409 C ASP A 125 -3.778 5.874 -7.988 1.00 0.83 C ATOM 1410 O ASP A 125 -3.257 4.759 -7.952 1.00 0.85 O ATOM 1411 CB ASP A 125 -4.393 7.006 -10.068 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.593 7.836 -9.659 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -5.447 9.076 -9.556 1.00 1.76 O ATOM 1414 OD2 ASP A 125 -6.678 7.262 -9.451 1.00 1.93 O ATOM 0 H ASP A 125 -2.022 5.666 -10.041 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.212 7.882 -8.500 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -3.948 7.439 -10.964 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -4.726 6.002 -10.331 1.00 0.90 H new ATOM 1419 N LEU A 126 -4.744 6.248 -7.196 1.00 0.84 N ATOM 1420 CA LEU A 126 -5.429 5.292 -6.360 1.00 0.85 C ATOM 1421 C LEU A 126 -6.928 5.398 -6.606 1.00 0.82 C ATOM 1422 O LEU A 126 -7.629 6.138 -5.913 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.105 5.524 -4.881 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.666 4.472 -3.926 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.045 3.112 -4.211 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -5.424 4.886 -2.485 1.00 1.62 C ATOM 0 H LEU A 126 -5.078 7.208 -7.109 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.090 4.288 -6.615 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -4.022 5.560 -4.763 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -5.490 6.501 -4.589 1.00 0.92 H new ATOM 0 HG LEU A 126 -6.742 4.394 -4.083 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -5.455 2.373 -3.522 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -5.270 2.817 -5.236 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -3.965 3.171 -4.079 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -5.829 4.127 -1.816 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -4.353 4.989 -2.311 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -5.916 5.839 -2.293 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.428 4.691 -7.628 1.00 0.79 N ATOM 1439 CA PRO A 127 -8.861 4.611 -7.890 1.00 0.78 C ATOM 1440 C PRO A 127 -9.608 3.950 -6.734 1.00 0.79 C ATOM 1441 O PRO A 127 -9.083 3.052 -6.074 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.971 3.774 -9.170 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.635 3.136 -9.363 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.628 3.990 -8.641 1.00 0.81 C ATOM 0 HA PRO A 127 -9.311 5.598 -7.999 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.753 3.020 -9.077 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -9.231 4.400 -10.024 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.633 2.120 -8.968 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.391 3.066 -10.423 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -5.844 3.385 -8.184 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.137 4.689 -9.318 1.00 0.81 H new ATOM 1452 N PRO A 128 -10.846 4.405 -6.473 1.00 0.82 N ATOM 1453 CA PRO A 128 -11.659 3.941 -5.338 1.00 0.89 C ATOM 1454 C PRO A 128 -11.706 2.420 -5.178 1.00 0.92 C ATOM 1455 O PRO A 128 -11.784 1.915 -4.060 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.048 4.480 -5.669 1.00 0.98 C ATOM 1457 CG PRO A 128 -12.787 5.720 -6.448 1.00 1.02 C ATOM 1458 CD PRO A 128 -11.548 5.445 -7.255 1.00 0.86 C ATOM 0 HA PRO A 128 -11.244 4.289 -4.392 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -13.626 3.760 -6.249 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -13.618 4.691 -4.764 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.630 5.959 -7.096 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -12.641 6.574 -5.786 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.793 5.095 -8.258 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -10.937 6.341 -7.370 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.642 1.688 -6.287 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.746 0.226 -6.238 1.00 0.96 C ATOM 1468 C HIS A 129 -10.418 -0.431 -5.863 1.00 0.95 C ATOM 1469 O HIS A 129 -10.304 -1.657 -5.860 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.265 -0.340 -7.569 1.00 1.02 C ATOM 1471 CG HIS A 129 -11.360 -0.116 -8.748 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -11.531 0.923 -9.638 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -10.283 -0.810 -9.194 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -10.604 0.859 -10.577 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -9.835 -0.182 -10.329 1.00 1.14 N ATOM 0 H HIS A 129 -11.520 2.075 -7.223 1.00 0.90 H new ATOM 0 HA HIS A 129 -12.466 -0.012 -5.455 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.427 -1.412 -7.453 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.235 0.108 -7.784 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -9.857 -1.693 -8.740 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -10.495 1.543 -11.406 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -9.035 -0.474 -10.891 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.416 0.380 -5.565 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.130 -0.136 -5.118 1.00 0.92 C ATOM 1486 C LEU A 130 -7.831 0.298 -3.689 1.00 0.93 C ATOM 1487 O LEU A 130 -6.879 -0.185 -3.073 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.007 0.337 -6.040 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.986 -0.299 -7.431 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.841 0.266 -8.256 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -6.859 -1.810 -7.324 1.00 1.34 C ATOM 0 H LEU A 130 -9.467 1.397 -5.624 1.00 0.89 H new ATOM 0 HA LEU A 130 -8.185 -1.224 -5.150 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.086 1.418 -6.155 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.052 0.137 -5.553 1.00 0.89 H new ATOM 0 HG LEU A 130 -7.926 -0.063 -7.930 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -5.840 -0.197 -9.243 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.965 1.344 -8.361 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -4.895 0.057 -7.757 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -6.846 -2.246 -8.323 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -5.934 -2.062 -6.806 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -7.707 -2.208 -6.766 1.00 1.34 H new ATOM 1760 N ASP B 149 7.414 9.035 4.965 1.00 0.45 N ATOM 1761 CA ASP B 149 7.920 8.259 3.841 1.00 0.42 C ATOM 1762 C ASP B 149 9.414 7.980 4.016 1.00 0.31 C ATOM 1763 O ASP B 149 10.236 8.899 4.049 1.00 0.30 O ATOM 1764 CB ASP B 149 7.658 9.002 2.526 1.00 0.70 C ATOM 1765 CG ASP B 149 8.260 8.298 1.331 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.491 8.397 1.149 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.509 7.669 0.569 1.00 1.25 O ATOM 0 HA ASP B 149 7.396 7.304 3.809 1.00 0.42 H new ATOM 0 HB2 ASP B 149 6.583 9.105 2.379 1.00 0.70 H new ATOM 0 HB3 ASP B 149 8.068 10.010 2.594 1.00 0.70 H new ATOM 1772 N PRO B 150 9.783 6.699 4.122 1.00 0.31 N ATOM 1773 CA PRO B 150 11.158 6.275 4.408 1.00 0.29 C ATOM 1774 C PRO B 150 12.111 6.419 3.216 1.00 0.29 C ATOM 1775 O PRO B 150 13.304 6.122 3.333 1.00 0.34 O ATOM 1776 CB PRO B 150 11.010 4.790 4.781 1.00 0.34 C ATOM 1777 CG PRO B 150 9.539 4.529 4.869 1.00 0.49 C ATOM 1778 CD PRO B 150 8.884 5.550 3.989 1.00 0.43 C ATOM 0 HA PRO B 150 11.598 6.897 5.188 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.475 4.151 4.030 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.501 4.576 5.730 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.302 3.518 4.537 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.188 4.618 5.897 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.810 5.209 2.956 1.00 0.43 H new ATOM 0 HD3 PRO B 150 7.873 5.784 4.321 1.00 0.43 H new ATOM 1786 N PHE B 151 11.599 6.858 2.075 1.00 0.31 N ATOM 1787 CA PHE B 151 12.407 6.929 0.864 1.00 0.39 C ATOM 1788 C PHE B 151 12.789 8.371 0.553 1.00 0.46 C ATOM 1789 O PHE B 151 13.810 8.630 -0.084 1.00 0.56 O ATOM 1790 CB PHE B 151 11.641 6.324 -0.313 1.00 0.44 C ATOM 1791 CG PHE B 151 10.905 5.077 0.056 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.573 3.873 0.187 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.547 5.122 0.315 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.895 2.731 0.555 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.866 3.989 0.688 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.540 2.790 0.812 1.00 0.32 C ATOM 0 H PHE B 151 10.634 7.169 1.961 1.00 0.31 H new ATOM 0 HA PHE B 151 13.321 6.359 1.027 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.933 7.059 -0.696 1.00 0.44 H new ATOM 0 HB3 PHE B 151 12.339 6.103 -1.120 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.636 3.827 -0.001 1.00 0.42 H new ATOM 0 HD2 PHE B 151 9.016 6.058 0.223 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.422 1.793 0.642 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.805 4.036 0.884 1.00 0.27 H new ATOM 0 HZ PHE B 151 9.007 1.899 1.110 1.00 0.32 H new ATOM 1806 N THR B 152 11.977 9.307 1.030 1.00 0.53 N ATOM 1807 CA THR B 152 12.195 10.726 0.773 1.00 0.65 C ATOM 1808 C THR B 152 13.268 11.312 1.695 1.00 1.20 C ATOM 1809 O THR B 152 13.341 12.526 1.891 1.00 1.89 O ATOM 1810 CB THR B 152 10.878 11.512 0.925 1.00 0.95 C ATOM 1811 OG1 THR B 152 10.148 11.029 2.062 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.025 11.384 -0.329 1.00 0.98 C ATOM 0 H THR B 152 11.156 9.107 1.601 1.00 0.53 H new ATOM 0 HA THR B 152 12.550 10.820 -0.253 1.00 0.65 H new ATOM 0 HB THR B 152 11.121 12.564 1.072 1.00 0.95 H new ATOM 0 HG1 THR B 152 9.417 11.648 2.269 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.100 11.947 -0.199 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.573 11.779 -1.184 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.789 10.334 -0.503 1.00 0.98 H new