USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 55 GLN : amide:sc= -7.13! C(o=-7.1!,f=-5.9!) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0.368 USER MOD Set 2.2: A 78 ASN : amide:sc= -0.843 K(o=-0.48,f=-2) USER MOD Set 3.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -177:sc= 0.349 (180deg=0.292) USER MOD Single : A 13 LYS NZ :NH3+ -114:sc= -1.37 (180deg=-3.31!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -171:sc= -6.24! (180deg=-6.58!) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0318 (180deg=-0.265) USER MOD Single : A 26 GLN : amide:sc= -7.43! C(o=-7.4!,f=-4.6!) USER MOD Single : A 28 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-4.7!) USER MOD Single : A 37 SER OG : rot -19:sc= 0.133 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 120:sc= 0 USER MOD Single : A 47 SER OG : rot -72:sc= -2.25! USER MOD Single : A 52 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.4!) USER MOD Single : A 56 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.166) USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -8.93! (180deg=-13.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00511) USER MOD Single : A 75 ASN : amide:sc= -1.3 K(o=-1.3,f=0.14) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-9.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -48:sc= 0.737 USER MOD Single : A 88 SER OG : rot -139:sc= 0.528 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 9.316 4.842 8.197 1.00 0.00 N ATOM 115 CA PRO A 8 8.113 4.017 8.124 1.00 0.00 C ATOM 116 C PRO A 8 7.830 3.418 6.732 1.00 0.00 C ATOM 117 O PRO A 8 8.639 2.686 6.177 1.00 0.00 O ATOM 118 CB PRO A 8 6.998 4.949 8.622 1.00 0.00 C ATOM 119 CG PRO A 8 7.714 5.964 9.514 1.00 0.00 C ATOM 120 CD PRO A 8 9.095 6.115 8.878 1.00 0.00 C ATOM 0 HA PRO A 8 8.211 3.117 8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.491 5.440 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.239 4.398 9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.182 6.915 9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.786 5.609 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.122 6.951 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.861 6.303 9.630 1.00 0.00 H new ATOM 128 N TRP A 9 6.636 3.757 6.210 1.00 0.00 N ATOM 129 CA TRP A 9 6.245 3.190 4.923 1.00 0.00 C ATOM 130 C TRP A 9 5.269 4.094 4.144 1.00 0.00 C ATOM 131 O TRP A 9 4.560 3.639 3.253 1.00 0.00 O ATOM 132 CB TRP A 9 5.679 1.762 5.066 1.00 0.00 C ATOM 133 CG TRP A 9 4.728 1.605 6.237 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.960 0.786 7.349 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.448 2.236 6.449 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.924 0.871 8.220 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.960 1.742 7.734 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.672 3.155 5.701 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.712 2.178 8.239 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.399 3.602 6.213 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.919 3.113 7.482 1.00 0.00 C ATOM 0 H TRP A 9 5.961 4.389 6.640 1.00 0.00 H new ATOM 0 HA TRP A 9 7.161 3.128 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.159 1.491 4.147 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.506 1.061 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.838 0.174 7.492 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.863 0.367 9.105 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.032 3.520 4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.355 1.811 9.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.805 4.303 5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.034 3.447 7.865 1.00 0.00 H new ATOM 152 N PHE A 10 5.286 5.394 4.506 1.00 0.00 N ATOM 153 CA PHE A 10 4.478 6.332 3.751 1.00 0.00 C ATOM 154 C PHE A 10 5.313 6.900 2.600 1.00 0.00 C ATOM 155 O PHE A 10 6.301 7.596 2.804 1.00 0.00 O ATOM 156 CB PHE A 10 4.022 7.474 4.660 1.00 0.00 C ATOM 157 CG PHE A 10 3.215 6.973 5.821 1.00 0.00 C ATOM 158 CD1 PHE A 10 3.874 6.440 6.987 1.00 0.00 C ATOM 159 CD2 PHE A 10 1.776 7.028 5.782 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.101 5.967 8.104 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.001 6.557 6.900 1.00 0.00 C ATOM 162 CZ PHE A 10 1.664 6.027 8.061 1.00 0.00 C ATOM 0 H PHE A 10 5.825 5.789 5.277 1.00 0.00 H new ATOM 0 HA PHE A 10 3.602 5.819 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.893 8.015 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.428 8.183 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.953 6.396 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.276 7.424 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.599 5.567 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.078 6.602 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.083 5.674 8.900 1.00 0.00 H new ATOM 172 N PHE A 11 4.848 6.562 1.385 1.00 0.00 N ATOM 173 CA PHE A 11 5.553 7.072 0.223 1.00 0.00 C ATOM 174 C PHE A 11 4.614 7.962 -0.590 1.00 0.00 C ATOM 175 O PHE A 11 3.744 7.489 -1.311 1.00 0.00 O ATOM 176 CB PHE A 11 6.043 5.905 -0.640 1.00 0.00 C ATOM 177 CG PHE A 11 6.970 5.012 0.130 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.445 4.044 1.057 1.00 0.00 C ATOM 179 CD2 PHE A 11 8.395 5.119 -0.054 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.336 3.186 1.794 1.00 0.00 C ATOM 181 CE2 PHE A 11 9.288 4.264 0.682 1.00 0.00 C ATOM 182 CZ PHE A 11 8.758 3.298 1.606 1.00 0.00 C ATOM 0 H PHE A 11 4.036 5.974 1.197 1.00 0.00 H new ATOM 0 HA PHE A 11 6.413 7.657 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.189 5.328 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.555 6.291 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.378 3.961 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.795 5.844 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.938 2.460 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.355 4.348 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.428 2.656 2.159 1.00 0.00 H new ATOM 192 N GLY A 12 4.843 9.276 -0.443 1.00 0.00 N ATOM 193 CA GLY A 12 3.988 10.133 -1.236 1.00 0.00 C ATOM 194 C GLY A 12 4.614 11.490 -1.483 1.00 0.00 C ATOM 195 O GLY A 12 5.538 11.911 -0.797 1.00 0.00 O ATOM 0 H GLY A 12 5.539 9.722 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.778 9.652 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.033 10.262 -0.727 1.00 0.00 H new ATOM 199 N LYS A 13 4.035 12.164 -2.495 1.00 0.00 N ATOM 200 CA LYS A 13 3.013 11.601 -3.365 1.00 0.00 C ATOM 201 C LYS A 13 3.692 10.906 -4.550 1.00 0.00 C ATOM 202 O LYS A 13 4.282 11.534 -5.420 1.00 0.00 O ATOM 203 CB LYS A 13 2.091 12.723 -3.851 1.00 0.00 C ATOM 204 CG LYS A 13 2.856 13.887 -4.486 1.00 0.00 C ATOM 205 CD LYS A 13 1.930 14.988 -5.011 1.00 0.00 C ATOM 206 CE LYS A 13 1.211 15.748 -3.893 1.00 0.00 C ATOM 207 NZ LYS A 13 0.127 14.983 -3.288 1.00 0.00 N ATOM 0 H LYS A 13 4.275 13.128 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 13 2.415 10.868 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.386 12.319 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.505 13.095 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.538 14.312 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.467 13.510 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.512 15.692 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.189 14.545 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.933 16.017 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.811 16.679 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.782 15.444 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.124 14.018 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.265 14.941 -2.258 1.00 0.00 H new ATOM 221 N ILE A 14 3.579 9.567 -4.517 1.00 0.00 N ATOM 222 CA ILE A 14 4.254 8.805 -5.545 1.00 0.00 C ATOM 223 C ILE A 14 3.256 8.443 -6.654 1.00 0.00 C ATOM 224 O ILE A 14 2.205 7.870 -6.396 1.00 0.00 O ATOM 225 CB ILE A 14 4.853 7.542 -4.919 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.868 6.900 -5.859 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.768 6.543 -4.523 1.00 0.00 C ATOM 228 CD1 ILE A 14 7.107 7.781 -5.982 1.00 0.00 C ATOM 0 H ILE A 14 3.056 9.028 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 14 5.057 9.396 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 14 5.372 7.840 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.149 5.916 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.420 6.751 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.230 5.660 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.098 7.003 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.200 6.253 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.823 7.310 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.822 8.756 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.562 7.907 -5.000 1.00 0.00 H new ATOM 240 N PRO A 15 3.626 8.804 -7.907 1.00 0.00 N ATOM 241 CA PRO A 15 2.799 8.500 -9.065 1.00 0.00 C ATOM 242 C PRO A 15 2.335 7.044 -9.096 1.00 0.00 C ATOM 243 O PRO A 15 3.130 6.113 -9.096 1.00 0.00 O ATOM 244 CB PRO A 15 3.704 8.801 -10.261 1.00 0.00 C ATOM 245 CG PRO A 15 4.738 9.800 -9.735 1.00 0.00 C ATOM 246 CD PRO A 15 4.864 9.498 -8.239 1.00 0.00 C ATOM 0 HA PRO A 15 1.880 9.087 -9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.184 7.895 -10.631 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.135 9.222 -11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.695 9.680 -10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.414 10.827 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.736 8.878 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.976 10.412 -7.656 1.00 0.00 H new ATOM 254 N ARG A 16 0.996 6.919 -9.116 1.00 0.00 N ATOM 255 CA ARG A 16 0.417 5.586 -9.113 1.00 0.00 C ATOM 256 C ARG A 16 1.239 4.625 -9.984 1.00 0.00 C ATOM 257 O ARG A 16 1.421 3.460 -9.653 1.00 0.00 O ATOM 258 CB ARG A 16 -1.023 5.652 -9.623 1.00 0.00 C ATOM 259 CG ARG A 16 -1.701 4.282 -9.595 1.00 0.00 C ATOM 260 CD ARG A 16 -3.142 4.351 -10.104 1.00 0.00 C ATOM 261 NE ARG A 16 -3.751 3.035 -10.057 1.00 0.00 N ATOM 262 CZ ARG A 16 -5.086 2.934 -10.199 1.00 0.00 C ATOM 263 NH1 ARG A 16 -5.827 4.024 -10.375 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.666 1.739 -10.161 1.00 0.00 N ATOM 0 H ARG A 16 0.330 7.692 -9.134 1.00 0.00 H new ATOM 0 HA ARG A 16 0.426 5.207 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.593 6.352 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.030 6.040 -10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.132 3.582 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.693 3.893 -8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.718 5.049 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.157 4.731 -11.125 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.179 2.202 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.384 4.943 -10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.838 3.942 -10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.100 0.902 -10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.677 1.659 -10.268 1.00 0.00 H new ATOM 278 N ALA A 17 1.727 5.190 -11.105 1.00 0.00 N ATOM 279 CA ALA A 17 2.543 4.370 -11.980 1.00 0.00 C ATOM 280 C ALA A 17 3.871 4.048 -11.292 1.00 0.00 C ATOM 281 O ALA A 17 4.219 2.894 -11.066 1.00 0.00 O ATOM 282 CB ALA A 17 2.795 5.112 -13.294 1.00 0.00 C ATOM 0 H ALA A 17 1.576 6.154 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 17 2.021 3.438 -12.195 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.408 4.493 -13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.843 5.323 -13.781 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.314 6.049 -13.089 1.00 0.00 H new ATOM 288 N LYS A 18 4.582 5.145 -10.979 1.00 0.00 N ATOM 289 CA LYS A 18 5.877 4.978 -10.344 1.00 0.00 C ATOM 290 C LYS A 18 5.809 3.884 -9.276 1.00 0.00 C ATOM 291 O LYS A 18 6.692 3.042 -9.158 1.00 0.00 O ATOM 292 CB LYS A 18 6.317 6.298 -9.714 1.00 0.00 C ATOM 293 CG LYS A 18 7.732 6.194 -9.149 1.00 0.00 C ATOM 294 CD LYS A 18 8.769 5.966 -10.248 1.00 0.00 C ATOM 295 CE LYS A 18 10.186 5.863 -9.682 1.00 0.00 C ATOM 296 NZ LYS A 18 11.183 5.641 -10.721 1.00 0.00 N ATOM 0 H LYS A 18 4.291 6.108 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 18 6.605 4.681 -11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.278 7.091 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.624 6.574 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.974 7.107 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.777 5.375 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.528 5.052 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.723 6.785 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.426 6.778 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.228 5.047 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.127 5.578 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.972 4.754 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.163 6.432 -11.396 1.00 0.00 H new ATOM 310 N ALA A 19 4.702 3.950 -8.514 1.00 0.00 N ATOM 311 CA ALA A 19 4.523 2.948 -7.484 1.00 0.00 C ATOM 312 C ALA A 19 4.703 1.560 -8.097 1.00 0.00 C ATOM 313 O ALA A 19 5.612 0.813 -7.759 1.00 0.00 O ATOM 314 CB ALA A 19 3.126 3.078 -6.875 1.00 0.00 C ATOM 0 H ALA A 19 3.964 4.650 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 19 5.263 3.093 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.995 2.322 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.011 4.070 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.375 2.935 -7.652 1.00 0.00 H new ATOM 320 N GLU A 20 3.773 1.282 -9.027 1.00 0.00 N ATOM 321 CA GLU A 20 3.824 -0.001 -9.700 1.00 0.00 C ATOM 322 C GLU A 20 5.267 -0.344 -10.077 1.00 0.00 C ATOM 323 O GLU A 20 5.735 -1.462 -9.903 1.00 0.00 O ATOM 324 CB GLU A 20 2.974 0.056 -10.969 1.00 0.00 C ATOM 325 CG GLU A 20 1.495 0.294 -10.659 1.00 0.00 C ATOM 326 CD GLU A 20 0.692 0.345 -11.960 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.259 0.724 -12.984 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.488 0.000 -11.935 1.00 0.00 O ATOM 0 H GLU A 20 3.016 1.903 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 20 3.438 -0.767 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.341 0.853 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.083 -0.878 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.116 -0.502 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.375 1.228 -10.111 1.00 0.00 H new ATOM 335 N GLU A 21 5.927 0.694 -10.619 1.00 0.00 N ATOM 336 CA GLU A 21 7.256 0.463 -11.147 1.00 0.00 C ATOM 337 C GLU A 21 8.214 0.043 -10.029 1.00 0.00 C ATOM 338 O GLU A 21 8.520 -1.129 -9.852 1.00 0.00 O ATOM 339 CB GLU A 21 7.749 1.726 -11.851 1.00 0.00 C ATOM 340 CG GLU A 21 6.756 2.184 -12.919 1.00 0.00 C ATOM 341 CD GLU A 21 7.333 3.370 -13.695 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.037 3.141 -14.677 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.067 4.508 -13.312 1.00 0.00 O ATOM 0 H GLU A 21 5.575 1.648 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 21 7.221 -0.351 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.893 2.521 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.719 1.535 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.539 1.363 -13.602 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.813 2.468 -12.453 1.00 0.00 H new ATOM 350 N MET A 22 8.680 1.077 -9.307 1.00 0.00 N ATOM 351 CA MET A 22 9.662 0.791 -8.276 1.00 0.00 C ATOM 352 C MET A 22 9.197 -0.375 -7.394 1.00 0.00 C ATOM 353 O MET A 22 9.979 -1.235 -7.008 1.00 0.00 O ATOM 354 CB MET A 22 9.911 2.040 -7.429 1.00 0.00 C ATOM 355 CG MET A 22 8.660 2.491 -6.676 1.00 0.00 C ATOM 356 SD MET A 22 8.987 3.970 -5.702 1.00 0.00 S ATOM 357 CE MET A 22 7.436 4.020 -4.792 1.00 0.00 C ATOM 0 H MET A 22 8.408 2.054 -9.414 1.00 0.00 H new ATOM 0 HA MET A 22 10.597 0.501 -8.755 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.709 1.838 -6.715 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.256 2.849 -8.072 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.857 2.689 -7.385 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.317 1.690 -6.022 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.367 4.959 -4.242 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.602 3.946 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.398 3.186 -4.092 1.00 0.00 H new ATOM 367 N LEU A 23 7.882 -0.351 -7.108 1.00 0.00 N ATOM 368 CA LEU A 23 7.353 -1.413 -6.267 1.00 0.00 C ATOM 369 C LEU A 23 7.481 -2.786 -6.947 1.00 0.00 C ATOM 370 O LEU A 23 7.673 -3.803 -6.291 1.00 0.00 O ATOM 371 CB LEU A 23 5.890 -1.128 -5.932 1.00 0.00 C ATOM 372 CG LEU A 23 5.307 -2.162 -4.967 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.138 -2.248 -3.687 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.858 -1.812 -4.631 1.00 0.00 C ATOM 0 H LEU A 23 7.212 0.348 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 23 7.939 -1.440 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.807 -0.135 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.303 -1.119 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 23 5.334 -3.136 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.701 -2.990 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.159 -2.539 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.147 -1.276 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.454 -2.555 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.820 -0.828 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.264 -1.803 -5.545 1.00 0.00 H new ATOM 386 N SER A 24 7.369 -2.758 -8.290 1.00 0.00 N ATOM 387 CA SER A 24 7.525 -4.014 -9.007 1.00 0.00 C ATOM 388 C SER A 24 8.973 -4.530 -8.921 1.00 0.00 C ATOM 389 O SER A 24 9.221 -5.730 -8.906 1.00 0.00 O ATOM 390 CB SER A 24 7.128 -3.823 -10.471 1.00 0.00 C ATOM 391 OG SER A 24 7.253 -5.031 -11.179 1.00 0.00 O ATOM 0 H SER A 24 7.183 -1.932 -8.859 1.00 0.00 H new ATOM 0 HA SER A 24 6.874 -4.755 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.100 -3.465 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.759 -3.060 -10.928 1.00 0.00 H new ATOM 0 HG SER A 24 6.993 -4.891 -12.114 1.00 0.00 H new ATOM 397 N LYS A 25 9.904 -3.556 -8.865 1.00 0.00 N ATOM 398 CA LYS A 25 11.307 -3.916 -8.783 1.00 0.00 C ATOM 399 C LYS A 25 11.659 -4.458 -7.388 1.00 0.00 C ATOM 400 O LYS A 25 12.742 -4.222 -6.867 1.00 0.00 O ATOM 401 CB LYS A 25 12.137 -2.670 -9.087 1.00 0.00 C ATOM 402 CG LYS A 25 11.664 -1.987 -10.372 1.00 0.00 C ATOM 403 CD LYS A 25 12.358 -0.646 -10.602 1.00 0.00 C ATOM 404 CE LYS A 25 13.833 -0.817 -10.967 1.00 0.00 C ATOM 405 NZ LYS A 25 14.014 -1.513 -12.235 1.00 0.00 N ATOM 0 H LYS A 25 9.707 -2.555 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 25 11.523 -4.704 -9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.066 -1.971 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.187 -2.945 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.854 -2.643 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.586 -1.833 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.848 -0.106 -11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.276 -0.037 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.307 0.163 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.338 -1.371 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.992 -1.385 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.822 -2.527 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.357 -1.124 -12.941 1.00 0.00 H new ATOM 419 N GLN A 26 10.678 -5.186 -6.818 1.00 0.00 N ATOM 420 CA GLN A 26 10.897 -5.732 -5.493 1.00 0.00 C ATOM 421 C GLN A 26 11.163 -7.233 -5.589 1.00 0.00 C ATOM 422 O GLN A 26 10.499 -7.971 -6.306 1.00 0.00 O ATOM 423 CB GLN A 26 9.678 -5.463 -4.613 1.00 0.00 C ATOM 424 CG GLN A 26 9.554 -3.981 -4.267 1.00 0.00 C ATOM 425 CD GLN A 26 10.779 -3.515 -3.476 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.878 -3.385 -3.999 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.501 -3.263 -2.185 1.00 0.00 N ATOM 0 H GLN A 26 9.773 -5.395 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 26 11.766 -5.250 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.776 -5.794 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.754 -6.047 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.458 -3.394 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.650 -3.812 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.554 -3.399 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.237 -2.936 -1.559 1.00 0.00 H new ATOM 436 N ARG A 27 12.193 -7.619 -4.817 1.00 0.00 N ATOM 437 CA ARG A 27 12.565 -9.023 -4.833 1.00 0.00 C ATOM 438 C ARG A 27 11.967 -9.772 -3.629 1.00 0.00 C ATOM 439 O ARG A 27 12.561 -10.706 -3.105 1.00 0.00 O ATOM 440 CB ARG A 27 14.089 -9.167 -4.821 1.00 0.00 C ATOM 441 CG ARG A 27 14.751 -8.663 -6.105 1.00 0.00 C ATOM 442 CD ARG A 27 14.820 -7.137 -6.185 1.00 0.00 C ATOM 443 NE ARG A 27 15.490 -6.607 -5.014 1.00 0.00 N ATOM 444 CZ ARG A 27 16.832 -6.697 -4.939 1.00 0.00 C ATOM 445 NH1 ARG A 27 17.524 -7.259 -5.927 1.00 0.00 N ATOM 446 NH2 ARG A 27 17.469 -6.222 -3.873 1.00 0.00 N ATOM 0 H ARG A 27 12.747 -7.013 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 27 12.165 -9.463 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.493 -8.617 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.347 -10.216 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.760 -9.070 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.198 -9.041 -6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.354 -6.836 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.814 -6.723 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 27 14.955 -6.174 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.038 -7.624 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.540 -7.325 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.942 -5.791 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.485 -6.289 -3.814 1.00 0.00 H new ATOM 460 N HIS A 28 10.764 -9.311 -3.229 1.00 0.00 N ATOM 461 CA HIS A 28 10.107 -9.961 -2.112 1.00 0.00 C ATOM 462 C HIS A 28 8.599 -9.731 -2.212 1.00 0.00 C ATOM 463 O HIS A 28 8.088 -8.661 -1.905 1.00 0.00 O ATOM 464 CB HIS A 28 10.629 -9.388 -0.792 1.00 0.00 C ATOM 465 CG HIS A 28 12.116 -9.628 -0.682 1.00 0.00 C ATOM 466 ND1 HIS A 28 13.054 -8.765 -1.126 1.00 0.00 N ATOM 467 CD2 HIS A 28 12.766 -10.741 -0.123 1.00 0.00 C ATOM 468 CE1 HIS A 28 14.239 -9.336 -0.846 1.00 0.00 C ATOM 469 NE2 HIS A 28 14.097 -10.529 -0.241 1.00 0.00 N ATOM 0 H HIS A 28 10.260 -8.529 -3.648 1.00 0.00 H new ATOM 0 HA HIS A 28 10.318 -11.030 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.419 -8.320 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.113 -9.855 0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.292 -11.605 0.319 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.194 -8.889 -1.080 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.845 -11.151 0.068 1.00 0.00 H new ATOM 477 N ASP A 29 7.924 -10.808 -2.653 1.00 0.00 N ATOM 478 CA ASP A 29 6.486 -10.703 -2.761 1.00 0.00 C ATOM 479 C ASP A 29 5.906 -10.305 -1.404 1.00 0.00 C ATOM 480 O ASP A 29 5.797 -11.109 -0.487 1.00 0.00 O ATOM 481 CB ASP A 29 5.914 -12.046 -3.212 1.00 0.00 C ATOM 482 CG ASP A 29 6.248 -13.125 -2.181 1.00 0.00 C ATOM 483 OD1 ASP A 29 7.328 -13.708 -2.268 1.00 0.00 O ATOM 484 OD2 ASP A 29 5.422 -13.374 -1.304 1.00 0.00 O ATOM 0 H ASP A 29 8.333 -11.703 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 29 6.221 -9.942 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.834 -11.969 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.326 -12.319 -4.184 1.00 0.00 H new ATOM 489 N GLY A 30 5.544 -9.010 -1.342 1.00 0.00 N ATOM 490 CA GLY A 30 5.020 -8.522 -0.079 1.00 0.00 C ATOM 491 C GLY A 30 5.278 -7.019 0.113 1.00 0.00 C ATOM 492 O GLY A 30 4.500 -6.316 0.745 1.00 0.00 O ATOM 0 H GLY A 30 5.602 -8.332 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.948 -8.714 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.478 -9.075 0.741 1.00 0.00 H new ATOM 496 N ALA A 31 6.410 -6.572 -0.465 1.00 0.00 N ATOM 497 CA ALA A 31 6.748 -5.169 -0.315 1.00 0.00 C ATOM 498 C ALA A 31 5.515 -4.312 -0.605 1.00 0.00 C ATOM 499 O ALA A 31 4.721 -4.610 -1.489 1.00 0.00 O ATOM 500 CB ALA A 31 7.885 -4.812 -1.274 1.00 0.00 C ATOM 0 H ALA A 31 7.064 -7.135 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 31 7.077 -4.977 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.139 -3.758 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.759 -5.422 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.569 -5.001 -2.300 1.00 0.00 H new ATOM 506 N PHE A 32 5.396 -3.244 0.206 1.00 0.00 N ATOM 507 CA PHE A 32 4.209 -2.427 0.036 1.00 0.00 C ATOM 508 C PHE A 32 4.540 -0.941 0.205 1.00 0.00 C ATOM 509 O PHE A 32 5.612 -0.557 0.657 1.00 0.00 O ATOM 510 CB PHE A 32 3.139 -2.840 1.057 1.00 0.00 C ATOM 511 CG PHE A 32 3.544 -2.503 2.463 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.287 -3.446 3.255 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.199 -1.222 3.025 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.693 -3.112 4.595 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.599 -0.884 4.366 1.00 0.00 C ATOM 516 CZ PHE A 32 4.347 -1.830 5.150 1.00 0.00 C ATOM 0 H PHE A 32 6.056 -2.952 0.927 1.00 0.00 H new ATOM 0 HA PHE A 32 3.828 -2.583 -0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.200 -2.340 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.958 -3.912 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.542 -4.411 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.637 -0.511 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.256 -3.822 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.338 0.078 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.649 -1.578 6.156 1.00 0.00 H new ATOM 526 N LEU A 33 3.516 -0.149 -0.157 1.00 0.00 N ATOM 527 CA LEU A 33 3.565 1.255 0.196 1.00 0.00 C ATOM 528 C LEU A 33 2.157 1.837 0.115 1.00 0.00 C ATOM 529 O LEU A 33 1.319 1.395 -0.663 1.00 0.00 O ATOM 530 CB LEU A 33 4.549 2.031 -0.688 1.00 0.00 C ATOM 531 CG LEU A 33 4.261 1.941 -2.190 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.148 2.898 -2.631 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.537 2.239 -2.980 1.00 0.00 C ATOM 0 H LEU A 33 2.687 -0.450 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 33 3.933 1.351 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.536 3.080 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.557 1.659 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 33 3.919 0.926 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.983 2.795 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.228 2.657 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.440 3.924 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.327 2.174 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.888 3.243 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.306 1.513 -2.716 1.00 0.00 H new ATOM 545 N ILE A 34 1.954 2.850 0.975 1.00 0.00 N ATOM 546 CA ILE A 34 0.693 3.560 0.880 1.00 0.00 C ATOM 547 C ILE A 34 0.969 4.959 0.334 1.00 0.00 C ATOM 548 O ILE A 34 1.646 5.774 0.948 1.00 0.00 O ATOM 549 CB ILE A 34 0.005 3.621 2.243 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.338 2.211 2.728 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.254 4.485 2.168 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.100 2.225 4.053 1.00 0.00 C ATOM 0 H ILE A 34 2.604 3.171 1.693 1.00 0.00 H new ATOM 0 HA ILE A 34 0.018 3.035 0.205 1.00 0.00 H new ATOM 0 HB ILE A 34 0.690 4.075 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.937 1.704 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.580 1.636 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.732 4.518 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.984 5.496 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.945 4.058 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.321 1.202 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.491 2.707 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.032 2.777 3.931 1.00 0.00 H new ATOM 564 N ARG A 35 0.422 5.157 -0.877 1.00 0.00 N ATOM 565 CA ARG A 35 0.800 6.366 -1.579 1.00 0.00 C ATOM 566 C ARG A 35 -0.147 7.515 -1.241 1.00 0.00 C ATOM 567 O ARG A 35 -1.365 7.395 -1.285 1.00 0.00 O ATOM 568 CB ARG A 35 0.848 6.103 -3.083 1.00 0.00 C ATOM 569 CG ARG A 35 -0.482 5.588 -3.621 1.00 0.00 C ATOM 570 CD ARG A 35 -0.321 4.998 -5.022 1.00 0.00 C ATOM 571 NE ARG A 35 -1.609 4.573 -5.538 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.501 5.512 -5.907 1.00 0.00 C ATOM 573 NH1 ARG A 35 -2.199 6.804 -5.799 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.688 5.147 -6.382 1.00 0.00 N ATOM 0 H ARG A 35 -0.235 4.538 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 35 1.796 6.664 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.116 7.023 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.631 5.376 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.880 4.829 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.206 6.402 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.119 5.740 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.364 4.151 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.834 3.582 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.289 7.086 -5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.878 7.512 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.921 4.158 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.365 5.856 -6.662 1.00 0.00 H new ATOM 588 N GLU A 36 0.519 8.631 -0.893 1.00 0.00 N ATOM 589 CA GLU A 36 -0.251 9.805 -0.524 1.00 0.00 C ATOM 590 C GLU A 36 -1.141 10.232 -1.693 1.00 0.00 C ATOM 591 O GLU A 36 -0.723 10.273 -2.844 1.00 0.00 O ATOM 592 CB GLU A 36 0.692 10.946 -0.140 1.00 0.00 C ATOM 593 CG GLU A 36 -0.074 12.180 0.337 1.00 0.00 C ATOM 594 CD GLU A 36 0.909 13.292 0.706 1.00 0.00 C ATOM 595 OE1 GLU A 36 1.994 13.333 0.127 1.00 0.00 O ATOM 596 OE2 GLU A 36 0.583 14.100 1.576 1.00 0.00 O ATOM 0 H GLU A 36 1.533 8.734 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.882 9.564 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.367 10.610 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.310 11.211 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.749 12.525 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.690 11.926 1.200 1.00 0.00 H new ATOM 603 N SER A 37 -2.392 10.546 -1.312 1.00 0.00 N ATOM 604 CA SER A 37 -3.334 10.981 -2.321 1.00 0.00 C ATOM 605 C SER A 37 -2.731 12.128 -3.135 1.00 0.00 C ATOM 606 O SER A 37 -2.401 13.186 -2.614 1.00 0.00 O ATOM 607 CB SER A 37 -4.616 11.446 -1.635 1.00 0.00 C ATOM 608 OG SER A 37 -5.170 10.414 -0.860 1.00 0.00 O ATOM 0 H SER A 37 -2.749 10.506 -0.357 1.00 0.00 H new ATOM 0 HA SER A 37 -3.559 10.155 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.403 12.308 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.337 11.771 -2.385 1.00 0.00 H new ATOM 0 HG SER A 37 -4.807 9.553 -1.155 1.00 0.00 H new ATOM 614 N GLU A 38 -2.619 11.844 -4.444 1.00 0.00 N ATOM 615 CA GLU A 38 -2.104 12.879 -5.319 1.00 0.00 C ATOM 616 C GLU A 38 -2.874 14.179 -5.078 1.00 0.00 C ATOM 617 O GLU A 38 -2.409 15.088 -4.400 1.00 0.00 O ATOM 618 CB GLU A 38 -2.233 12.441 -6.778 1.00 0.00 C ATOM 619 CG GLU A 38 -1.611 13.468 -7.722 1.00 0.00 C ATOM 620 CD GLU A 38 -0.109 13.576 -7.454 1.00 0.00 C ATOM 621 OE1 GLU A 38 0.450 12.653 -6.862 1.00 0.00 O ATOM 622 OE2 GLU A 38 0.485 14.583 -7.836 1.00 0.00 O ATOM 0 H GLU A 38 -2.864 10.959 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.049 13.048 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.745 11.476 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.285 12.305 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.785 13.176 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.085 14.439 -7.581 1.00 0.00 H new ATOM 629 N SER A 39 -4.076 14.200 -5.679 1.00 0.00 N ATOM 630 CA SER A 39 -4.911 15.371 -5.500 1.00 0.00 C ATOM 631 C SER A 39 -6.297 14.942 -5.013 1.00 0.00 C ATOM 632 O SER A 39 -7.308 15.152 -5.673 1.00 0.00 O ATOM 633 CB SER A 39 -5.026 16.132 -6.821 1.00 0.00 C ATOM 634 OG SER A 39 -3.757 16.524 -7.279 1.00 0.00 O ATOM 0 H SER A 39 -4.465 13.457 -6.260 1.00 0.00 H new ATOM 0 HA SER A 39 -4.461 16.028 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.510 15.503 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.657 17.010 -6.687 1.00 0.00 H new ATOM 0 HG SER A 39 -3.850 17.008 -8.126 1.00 0.00 H new ATOM 640 N ALA A 40 -6.268 14.328 -3.818 1.00 0.00 N ATOM 641 CA ALA A 40 -7.520 13.857 -3.259 1.00 0.00 C ATOM 642 C ALA A 40 -7.424 13.841 -1.730 1.00 0.00 C ATOM 643 O ALA A 40 -6.343 13.778 -1.159 1.00 0.00 O ATOM 644 CB ALA A 40 -7.812 12.451 -3.787 1.00 0.00 C ATOM 0 H ALA A 40 -5.434 14.158 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.331 14.523 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.753 12.093 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.885 12.479 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.006 11.778 -3.495 1.00 0.00 H new ATOM 650 N PRO A 41 -8.619 13.905 -1.098 1.00 0.00 N ATOM 651 CA PRO A 41 -8.747 13.867 0.355 1.00 0.00 C ATOM 652 C PRO A 41 -7.872 12.799 1.037 1.00 0.00 C ATOM 653 O PRO A 41 -6.651 12.809 0.924 1.00 0.00 O ATOM 654 CB PRO A 41 -10.251 13.648 0.575 1.00 0.00 C ATOM 655 CG PRO A 41 -10.919 14.220 -0.673 1.00 0.00 C ATOM 656 CD PRO A 41 -9.896 14.023 -1.793 1.00 0.00 C ATOM 0 HA PRO A 41 -8.381 14.783 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.482 12.590 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.596 14.156 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.852 13.702 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.163 15.274 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.114 13.130 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.896 14.865 -2.485 1.00 0.00 H new ATOM 664 N GLY A 42 -8.556 11.890 1.757 1.00 0.00 N ATOM 665 CA GLY A 42 -7.807 10.863 2.454 1.00 0.00 C ATOM 666 C GLY A 42 -7.902 9.530 1.707 1.00 0.00 C ATOM 667 O GLY A 42 -8.473 8.559 2.187 1.00 0.00 O ATOM 0 H GLY A 42 -9.570 11.854 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.763 11.163 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.193 10.747 3.467 1.00 0.00 H new ATOM 671 N ASP A 43 -7.296 9.558 0.507 1.00 0.00 N ATOM 672 CA ASP A 43 -7.289 8.342 -0.283 1.00 0.00 C ATOM 673 C ASP A 43 -5.941 7.636 -0.122 1.00 0.00 C ATOM 674 O ASP A 43 -4.897 8.130 -0.530 1.00 0.00 O ATOM 675 CB ASP A 43 -7.536 8.681 -1.754 1.00 0.00 C ATOM 676 CG ASP A 43 -8.883 9.392 -1.903 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.099 10.388 -1.216 1.00 0.00 O ATOM 678 OD2 ASP A 43 -9.700 8.940 -2.704 1.00 0.00 O ATOM 0 H ASP A 43 -6.833 10.366 0.091 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.081 7.678 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.735 9.318 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.527 7.770 -2.353 1.00 0.00 H new ATOM 683 N PHE A 44 -6.040 6.449 0.504 1.00 0.00 N ATOM 684 CA PHE A 44 -4.818 5.708 0.748 1.00 0.00 C ATOM 685 C PHE A 44 -4.969 4.277 0.229 1.00 0.00 C ATOM 686 O PHE A 44 -5.880 3.547 0.600 1.00 0.00 O ATOM 687 CB PHE A 44 -4.513 5.699 2.247 1.00 0.00 C ATOM 688 CG PHE A 44 -4.362 7.093 2.783 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.680 8.098 2.009 1.00 0.00 C ATOM 690 CD2 PHE A 44 -4.901 7.435 4.074 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.535 9.435 2.522 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.759 8.771 4.590 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.076 9.770 3.813 1.00 0.00 C ATOM 0 H PHE A 44 -6.904 6.014 0.828 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.992 6.187 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.314 5.187 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.598 5.136 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.276 7.847 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.414 6.685 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.021 10.185 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.165 9.023 5.559 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.969 10.773 4.199 1.00 0.00 H new ATOM 703 N SER A 45 -4.013 3.934 -0.653 1.00 0.00 N ATOM 704 CA SER A 45 -4.048 2.598 -1.215 1.00 0.00 C ATOM 705 C SER A 45 -2.777 1.841 -0.823 1.00 0.00 C ATOM 706 O SER A 45 -1.664 2.347 -0.919 1.00 0.00 O ATOM 707 CB SER A 45 -4.170 2.676 -2.737 1.00 0.00 C ATOM 708 OG SER A 45 -3.078 3.364 -3.288 1.00 0.00 O ATOM 0 H SER A 45 -3.252 4.534 -0.970 1.00 0.00 H new ATOM 0 HA SER A 45 -4.913 2.064 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.221 1.670 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.098 3.181 -3.007 1.00 0.00 H new ATOM 0 HG SER A 45 -2.597 2.774 -3.906 1.00 0.00 H new ATOM 714 N LEU A 46 -3.031 0.598 -0.371 1.00 0.00 N ATOM 715 CA LEU A 46 -1.915 -0.237 0.030 1.00 0.00 C ATOM 716 C LEU A 46 -1.497 -1.117 -1.149 1.00 0.00 C ATOM 717 O LEU A 46 -2.230 -1.988 -1.600 1.00 0.00 O ATOM 718 CB LEU A 46 -2.324 -1.102 1.223 1.00 0.00 C ATOM 719 CG LEU A 46 -1.124 -1.690 1.972 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.582 -2.338 3.277 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.354 -2.704 1.123 1.00 0.00 C ATOM 0 H LEU A 46 -3.956 0.177 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.072 0.387 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.918 -0.503 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.962 -1.914 0.875 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.445 -0.867 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.720 -2.752 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.062 -1.589 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.291 -3.136 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.488 -3.094 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.016 -3.525 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.016 -2.217 0.221 1.00 0.00 H new ATOM 733 N SER A 47 -0.271 -0.822 -1.612 1.00 0.00 N ATOM 734 CA SER A 47 0.229 -1.566 -2.751 1.00 0.00 C ATOM 735 C SER A 47 1.083 -2.739 -2.267 1.00 0.00 C ATOM 736 O SER A 47 1.729 -2.681 -1.229 1.00 0.00 O ATOM 737 CB SER A 47 1.066 -0.637 -3.627 1.00 0.00 C ATOM 738 OG SER A 47 2.170 -0.163 -2.901 1.00 0.00 O ATOM 0 H SER A 47 0.354 -0.111 -1.232 1.00 0.00 H new ATOM 0 HA SER A 47 -0.607 -1.956 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.405 -1.169 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.458 0.200 -3.969 1.00 0.00 H new ATOM 0 HG SER A 47 1.867 0.483 -2.229 1.00 0.00 H new ATOM 744 N VAL A 48 1.035 -3.804 -3.086 1.00 0.00 N ATOM 745 CA VAL A 48 1.814 -4.978 -2.742 1.00 0.00 C ATOM 746 C VAL A 48 2.309 -5.659 -4.020 1.00 0.00 C ATOM 747 O VAL A 48 1.572 -5.826 -4.984 1.00 0.00 O ATOM 748 CB VAL A 48 0.957 -5.961 -1.946 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.718 -7.265 -1.706 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.493 -5.349 -0.624 1.00 0.00 C ATOM 0 H VAL A 48 0.490 -3.867 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 48 2.666 -4.671 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 48 0.068 -6.185 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.092 -7.953 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.977 -7.717 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.629 -7.057 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.114 -6.073 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.362 -5.081 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.099 -4.456 -0.824 1.00 0.00 H new ATOM 760 N LYS A 49 3.596 -6.043 -3.960 1.00 0.00 N ATOM 761 CA LYS A 49 4.111 -6.760 -5.110 1.00 0.00 C ATOM 762 C LYS A 49 3.680 -8.225 -5.041 1.00 0.00 C ATOM 763 O LYS A 49 4.190 -9.017 -4.258 1.00 0.00 O ATOM 764 CB LYS A 49 5.636 -6.674 -5.185 1.00 0.00 C ATOM 765 CG LYS A 49 6.154 -7.501 -6.364 1.00 0.00 C ATOM 766 CD LYS A 49 7.645 -7.310 -6.632 1.00 0.00 C ATOM 767 CE LYS A 49 8.102 -8.133 -7.838 1.00 0.00 C ATOM 768 NZ LYS A 49 7.423 -7.737 -9.066 1.00 0.00 N ATOM 0 H LYS A 49 4.244 -5.881 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 49 3.702 -6.297 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.944 -5.634 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.074 -7.038 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.960 -8.556 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.594 -7.232 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.853 -6.255 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.216 -7.604 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.178 -8.018 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.915 -9.190 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.727 -8.355 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.395 -7.822 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.663 -6.751 -9.293 1.00 0.00 H new ATOM 782 N PHE A 50 2.718 -8.522 -5.932 1.00 0.00 N ATOM 783 CA PHE A 50 2.281 -9.898 -6.036 1.00 0.00 C ATOM 784 C PHE A 50 2.383 -10.340 -7.496 1.00 0.00 C ATOM 785 O PHE A 50 1.692 -9.832 -8.370 1.00 0.00 O ATOM 786 CB PHE A 50 0.839 -10.027 -5.544 1.00 0.00 C ATOM 787 CG PHE A 50 0.363 -11.447 -5.625 1.00 0.00 C ATOM 788 CD1 PHE A 50 -0.186 -11.958 -6.855 1.00 0.00 C ATOM 789 CD2 PHE A 50 0.451 -12.310 -4.475 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.644 -13.320 -6.936 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.006 -13.672 -4.552 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.554 -14.176 -5.783 1.00 0.00 C ATOM 0 H PHE A 50 2.257 -7.858 -6.554 1.00 0.00 H new ATOM 0 HA PHE A 50 2.914 -10.534 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.771 -9.676 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.189 -9.388 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.254 -11.316 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.862 -11.933 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.054 -13.699 -7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.062 -14.315 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.898 -15.198 -5.842 1.00 0.00 H new ATOM 802 N GLY A 51 3.297 -11.315 -7.681 1.00 0.00 N ATOM 803 CA GLY A 51 3.564 -11.859 -9.002 1.00 0.00 C ATOM 804 C GLY A 51 2.351 -11.746 -9.919 1.00 0.00 C ATOM 805 O GLY A 51 1.209 -11.842 -9.489 1.00 0.00 O ATOM 0 H GLY A 51 3.851 -11.730 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.407 -11.331 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.855 -12.906 -8.912 1.00 0.00 H new ATOM 809 N ASN A 52 2.715 -11.498 -11.191 1.00 0.00 N ATOM 810 CA ASN A 52 1.763 -11.061 -12.198 1.00 0.00 C ATOM 811 C ASN A 52 1.943 -9.561 -12.404 1.00 0.00 C ATOM 812 O ASN A 52 2.125 -9.060 -13.507 1.00 0.00 O ATOM 813 CB ASN A 52 0.312 -11.307 -11.782 1.00 0.00 C ATOM 814 CG ASN A 52 0.055 -12.801 -11.564 1.00 0.00 C ATOM 815 OD1 ASN A 52 0.781 -13.660 -12.049 1.00 0.00 O ATOM 816 ND2 ASN A 52 -1.022 -13.042 -10.796 1.00 0.00 N ATOM 0 H ASN A 52 3.670 -11.597 -11.535 1.00 0.00 H new ATOM 0 HA ASN A 52 1.955 -11.632 -13.106 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.094 -10.758 -10.866 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.361 -10.926 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.288 -14.002 -10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.573 -12.265 -10.432 1.00 0.00 H new ATOM 823 N ASP A 53 1.878 -8.895 -11.239 1.00 0.00 N ATOM 824 CA ASP A 53 2.037 -7.453 -11.260 1.00 0.00 C ATOM 825 C ASP A 53 1.940 -6.890 -9.840 1.00 0.00 C ATOM 826 O ASP A 53 2.088 -7.592 -8.848 1.00 0.00 O ATOM 827 CB ASP A 53 0.959 -6.830 -12.147 1.00 0.00 C ATOM 828 CG ASP A 53 -0.427 -7.151 -11.584 1.00 0.00 C ATOM 829 OD1 ASP A 53 -0.502 -7.693 -10.482 1.00 0.00 O ATOM 830 OD2 ASP A 53 -1.416 -6.855 -12.253 1.00 0.00 O ATOM 0 H ASP A 53 1.724 -9.314 -10.322 1.00 0.00 H new ATOM 0 HA ASP A 53 3.019 -7.209 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.099 -5.750 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.046 -7.213 -13.164 1.00 0.00 H new ATOM 835 N VAL A 54 1.674 -5.572 -9.826 1.00 0.00 N ATOM 836 CA VAL A 54 1.549 -4.901 -8.547 1.00 0.00 C ATOM 837 C VAL A 54 0.071 -4.795 -8.162 1.00 0.00 C ATOM 838 O VAL A 54 -0.756 -4.276 -8.901 1.00 0.00 O ATOM 839 CB VAL A 54 2.176 -3.511 -8.630 1.00 0.00 C ATOM 840 CG1 VAL A 54 2.010 -2.767 -7.305 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.652 -3.606 -9.016 1.00 0.00 C ATOM 0 H VAL A 54 1.549 -4.984 -10.650 1.00 0.00 H new ATOM 0 HA VAL A 54 2.071 -5.477 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 54 1.658 -2.947 -9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.463 -1.779 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.949 -2.663 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.499 -3.328 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.079 -2.605 -9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.187 -4.189 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.743 -4.092 -9.987 1.00 0.00 H new ATOM 851 N GLN A 55 -0.194 -5.329 -6.957 1.00 0.00 N ATOM 852 CA GLN A 55 -1.562 -5.306 -6.475 1.00 0.00 C ATOM 853 C GLN A 55 -1.770 -4.095 -5.564 1.00 0.00 C ATOM 854 O GLN A 55 -0.831 -3.496 -5.054 1.00 0.00 O ATOM 855 CB GLN A 55 -1.863 -6.606 -5.730 1.00 0.00 C ATOM 856 CG GLN A 55 -3.278 -6.638 -5.150 1.00 0.00 C ATOM 857 CD GLN A 55 -3.558 -8.013 -4.533 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.667 -8.531 -4.590 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.478 -8.569 -3.953 1.00 0.00 N ATOM 0 H GLN A 55 0.491 -5.759 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.247 -5.222 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.734 -7.448 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.141 -6.734 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.388 -5.861 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.006 -6.426 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.588 -8.070 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.549 -9.489 -3.518 1.00 0.00 H new ATOM 868 N HIS A 56 -3.067 -3.772 -5.418 1.00 0.00 N ATOM 869 CA HIS A 56 -3.399 -2.590 -4.646 1.00 0.00 C ATOM 870 C HIS A 56 -4.652 -2.845 -3.805 1.00 0.00 C ATOM 871 O HIS A 56 -5.581 -3.528 -4.217 1.00 0.00 O ATOM 872 CB HIS A 56 -3.640 -1.415 -5.593 1.00 0.00 C ATOM 873 CG HIS A 56 -2.378 -1.119 -6.369 1.00 0.00 C ATOM 874 ND1 HIS A 56 -2.080 -1.673 -7.564 1.00 0.00 N ATOM 875 CD2 HIS A 56 -1.332 -0.254 -6.006 1.00 0.00 C ATOM 876 CE1 HIS A 56 -0.887 -1.159 -7.917 1.00 0.00 C ATOM 877 NE2 HIS A 56 -0.412 -0.300 -6.997 1.00 0.00 N ATOM 0 H HIS A 56 -3.856 -4.289 -5.806 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.570 -2.354 -3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.454 -1.650 -6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.945 -0.535 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.273 0.337 -5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.371 -1.407 -8.833 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.468 0.215 -7.038 1.00 0.00 H new ATOM 885 N PHE A 57 -4.606 -2.246 -2.601 1.00 0.00 N ATOM 886 CA PHE A 57 -5.751 -2.378 -1.722 1.00 0.00 C ATOM 887 C PHE A 57 -6.190 -0.996 -1.234 1.00 0.00 C ATOM 888 O PHE A 57 -5.598 -0.408 -0.338 1.00 0.00 O ATOM 889 CB PHE A 57 -5.394 -3.250 -0.519 1.00 0.00 C ATOM 890 CG PHE A 57 -4.953 -4.622 -0.936 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.568 -5.275 -2.064 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.912 -5.300 -0.206 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.149 -6.595 -2.456 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.491 -6.619 -0.597 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.111 -7.265 -1.721 1.00 0.00 C ATOM 0 H PHE A 57 -3.826 -1.696 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.565 -2.846 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.600 -2.771 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.258 -3.331 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.347 -4.772 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.445 -4.816 0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.614 -7.081 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.710 -7.123 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.797 -8.256 -2.014 1.00 0.00 H new ATOM 905 N LYS A 58 -7.277 -0.532 -1.875 1.00 0.00 N ATOM 906 CA LYS A 58 -7.811 0.751 -1.464 1.00 0.00 C ATOM 907 C LYS A 58 -8.182 0.712 0.019 1.00 0.00 C ATOM 908 O LYS A 58 -9.161 0.098 0.425 1.00 0.00 O ATOM 909 CB LYS A 58 -9.054 1.062 -2.294 1.00 0.00 C ATOM 910 CG LYS A 58 -8.710 1.298 -3.762 1.00 0.00 C ATOM 911 CD LYS A 58 -8.153 2.695 -3.986 1.00 0.00 C ATOM 912 CE LYS A 58 -7.895 2.987 -5.464 1.00 0.00 C ATOM 913 NZ LYS A 58 -9.123 2.990 -6.251 1.00 0.00 N ATOM 0 H LYS A 58 -7.770 -1.003 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.059 1.524 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.760 0.236 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.549 1.945 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.980 0.557 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.602 1.158 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.853 3.431 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.223 2.807 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.402 3.955 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.211 2.240 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.927 3.372 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.483 2.018 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.836 3.583 -5.780 1.00 0.00 H new ATOM 927 N VAL A 59 -7.347 1.432 0.788 1.00 0.00 N ATOM 928 CA VAL A 59 -7.700 1.595 2.183 1.00 0.00 C ATOM 929 C VAL A 59 -8.726 2.722 2.293 1.00 0.00 C ATOM 930 O VAL A 59 -8.417 3.853 2.646 1.00 0.00 O ATOM 931 CB VAL A 59 -6.451 1.919 3.005 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.806 2.090 4.482 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.388 0.835 2.825 1.00 0.00 C ATOM 0 H VAL A 59 -6.482 1.878 0.483 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.129 0.672 2.573 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.040 2.861 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.904 2.320 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.521 2.905 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.246 1.167 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.509 1.086 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.787 -0.124 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.109 0.770 1.773 1.00 0.00 H new ATOM 943 N LEU A 60 -9.963 2.325 1.946 1.00 0.00 N ATOM 944 CA LEU A 60 -11.024 3.306 1.880 1.00 0.00 C ATOM 945 C LEU A 60 -11.609 3.530 3.270 1.00 0.00 C ATOM 946 O LEU A 60 -11.300 2.819 4.214 1.00 0.00 O ATOM 947 CB LEU A 60 -12.129 2.769 0.978 1.00 0.00 C ATOM 948 CG LEU A 60 -11.646 2.501 -0.449 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.778 1.931 -1.303 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.067 3.762 -1.093 1.00 0.00 C ATOM 0 H LEU A 60 -10.232 1.368 1.718 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.626 4.244 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.524 1.846 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.951 3.485 0.951 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.847 1.762 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.414 1.747 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.127 0.995 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.602 2.644 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.734 3.534 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.833 4.537 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.221 4.116 -0.504 1.00 0.00 H new ATOM 962 N ARG A 61 -12.492 4.541 3.331 1.00 0.00 N ATOM 963 CA ARG A 61 -13.213 4.693 4.576 1.00 0.00 C ATOM 964 C ARG A 61 -14.631 5.200 4.287 1.00 0.00 C ATOM 965 O ARG A 61 -15.217 4.915 3.250 1.00 0.00 O ATOM 966 CB ARG A 61 -12.443 5.651 5.482 1.00 0.00 C ATOM 967 CG ARG A 61 -12.360 7.039 4.859 1.00 0.00 C ATOM 968 CD ARG A 61 -11.475 7.982 5.666 1.00 0.00 C ATOM 969 NE ARG A 61 -11.994 8.131 7.012 1.00 0.00 N ATOM 970 CZ ARG A 61 -13.136 8.821 7.193 1.00 0.00 C ATOM 971 NH1 ARG A 61 -13.770 9.355 6.153 1.00 0.00 N ATOM 972 NH2 ARG A 61 -13.633 8.969 8.417 1.00 0.00 N ATOM 0 H ARG A 61 -12.704 5.209 2.590 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.301 3.735 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.933 5.713 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.438 5.265 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.970 6.957 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.362 7.461 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.457 7.594 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.428 8.955 5.177 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.503 7.721 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.392 9.243 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.635 9.877 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.149 8.560 9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.498 9.491 8.557 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.551 4.376 9.483 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.129 4.651 9.370 1.00 0.00 C ATOM 1024 C LYS A 66 -12.570 3.929 8.137 1.00 0.00 C ATOM 1025 O LYS A 66 -13.273 3.701 7.161 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.387 4.225 10.641 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.060 4.730 11.919 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.317 4.295 13.185 1.00 0.00 C ATOM 1029 CE LYS A 66 -12.512 2.813 13.514 1.00 0.00 C ATOM 1030 NZ LYS A 66 -11.782 1.924 12.619 1.00 0.00 N ATOM 0 HA LYS A 66 -12.980 5.724 9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.327 3.137 10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.364 4.600 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.116 5.818 11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.084 4.359 11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.253 4.497 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.661 4.897 14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.190 2.630 14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.574 2.574 13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.463 1.086 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.405 1.627 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.957 2.424 12.230 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.273 3.585 8.251 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.635 2.898 7.142 1.00 0.00 C ATOM 1046 C TYR A 67 -11.158 1.463 7.054 1.00 0.00 C ATOM 1047 O TYR A 67 -11.666 0.906 8.018 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.118 2.897 7.339 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.578 4.294 7.440 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.238 5.028 6.249 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.397 4.909 8.730 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.719 6.367 6.345 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -7.879 6.248 8.829 1.00 0.00 C ATOM 1054 CZ TYR A 67 -7.540 6.976 7.635 1.00 0.00 C ATOM 1055 OH TYR A 67 -7.042 8.261 7.730 1.00 0.00 O ATOM 0 H TYR A 67 -10.681 3.765 9.062 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.869 3.416 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.867 2.342 8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.642 2.381 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.373 4.572 5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.651 4.363 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.464 6.914 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.745 6.706 9.798 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.985 8.521 8.673 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.004 0.907 5.837 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.473 -0.450 5.644 1.00 0.00 C ATOM 1067 C PHE A 68 -10.658 -1.123 4.536 1.00 0.00 C ATOM 1068 O PHE A 68 -10.047 -0.476 3.693 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.960 -0.416 5.282 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.545 -1.792 5.177 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.489 -2.515 3.932 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.176 -2.398 6.321 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.060 -3.833 3.831 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.749 -3.715 6.223 1.00 0.00 C ATOM 1075 CZ PHE A 68 -14.690 -4.431 4.977 1.00 0.00 C ATOM 0 H PHE A 68 -10.582 1.356 5.024 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.345 -1.026 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -13.504 0.152 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.090 0.106 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.017 -2.066 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.220 -1.862 7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.015 -4.372 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.222 -4.165 7.083 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.119 -5.419 4.902 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.673 -2.464 4.630 1.00 0.00 N ATOM 1086 CA LEU A 69 -9.780 -3.244 3.797 1.00 0.00 C ATOM 1087 C LEU A 69 -10.585 -4.260 2.982 1.00 0.00 C ATOM 1088 O LEU A 69 -10.675 -4.179 1.763 1.00 0.00 O ATOM 1089 CB LEU A 69 -8.770 -3.949 4.707 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.639 -4.638 3.947 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -6.825 -3.625 3.158 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.738 -5.399 4.917 1.00 0.00 C ATOM 0 H LEU A 69 -11.274 -3.002 5.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.249 -2.600 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.343 -3.220 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.294 -4.689 5.312 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.079 -5.346 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.025 -4.138 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.471 -3.117 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.394 -2.893 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.936 -5.886 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.310 -4.703 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.324 -6.152 5.443 1.00 0.00 H new ATOM 1104 N TRP A 70 -11.162 -5.214 3.736 1.00 0.00 N ATOM 1105 CA TRP A 70 -11.958 -6.223 3.059 1.00 0.00 C ATOM 1106 C TRP A 70 -13.128 -6.684 3.937 1.00 0.00 C ATOM 1107 O TRP A 70 -14.218 -6.958 3.449 1.00 0.00 O ATOM 1108 CB TRP A 70 -11.090 -7.432 2.704 1.00 0.00 C ATOM 1109 CG TRP A 70 -10.094 -7.054 1.632 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -8.708 -7.234 1.693 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -10.381 -6.453 0.355 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -8.130 -6.788 0.549 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -9.095 -6.295 -0.319 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -11.576 -6.041 -0.281 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.037 -5.726 -1.614 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -11.521 -5.461 -1.601 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -10.251 -5.303 -2.268 1.00 0.00 C ATOM 0 H TRP A 70 -11.094 -5.299 4.750 1.00 0.00 H new ATOM 0 HA TRP A 70 -12.356 -5.776 2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -10.565 -7.787 3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -11.718 -8.252 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -8.176 -7.665 2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.129 -6.812 0.355 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.525 -6.160 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.086 -5.609 -2.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -12.431 -5.145 -2.090 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.210 -4.868 -3.256 1.00 0.00 H new ATOM 1128 N VAL A 71 -12.840 -6.768 5.250 1.00 0.00 N ATOM 1129 CA VAL A 71 -13.858 -7.337 6.119 1.00 0.00 C ATOM 1130 C VAL A 71 -14.193 -6.391 7.278 1.00 0.00 C ATOM 1131 O VAL A 71 -15.339 -6.278 7.696 1.00 0.00 O ATOM 1132 CB VAL A 71 -13.367 -8.677 6.666 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -14.418 -9.307 7.580 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -13.000 -9.627 5.526 1.00 0.00 C ATOM 0 H VAL A 71 -11.973 -6.470 5.698 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.766 -7.486 5.535 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.469 -8.494 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.047 -10.260 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.620 -8.639 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -15.337 -9.472 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.653 -10.574 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.876 -9.802 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.208 -9.183 4.923 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.132 -5.730 7.772 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.356 -4.863 8.914 1.00 0.00 C ATOM 1146 C VAL A 72 -12.737 -3.488 8.661 1.00 0.00 C ATOM 1147 O VAL A 72 -12.026 -3.269 7.687 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.748 -5.494 10.167 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.394 -6.848 10.461 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.233 -5.636 10.021 1.00 0.00 C ATOM 0 H VAL A 72 -12.176 -5.778 7.420 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.429 -4.739 9.063 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.947 -4.833 11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.946 -7.278 11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.464 -6.714 10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.233 -7.519 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.821 -6.087 10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.008 -6.270 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.788 -4.652 9.872 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.058 -2.583 9.603 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.517 -1.244 9.488 1.00 0.00 C ATOM 1162 C LYS A 73 -11.287 -1.096 10.389 1.00 0.00 C ATOM 1163 O LYS A 73 -10.942 -1.990 11.151 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.591 -0.230 9.875 1.00 0.00 C ATOM 1165 CG LYS A 73 -13.926 -0.258 11.370 1.00 0.00 C ATOM 1166 CD LYS A 73 -14.430 -1.616 11.863 1.00 0.00 C ATOM 1167 CE LYS A 73 -15.039 -1.516 13.262 1.00 0.00 C ATOM 1168 NZ LYS A 73 -14.053 -1.142 14.270 1.00 0.00 N ATOM 0 H LYS A 73 -13.660 -2.753 10.409 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.211 -1.061 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.255 0.770 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.496 -0.430 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.037 0.017 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.684 0.498 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.175 -2.002 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.605 -2.329 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.844 -0.781 13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.485 -2.474 13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.505 -1.120 15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.280 -1.838 14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.670 -0.201 14.048 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.643 0.079 10.246 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.417 0.255 10.999 1.00 0.00 C ATOM 1184 C PHE A 74 -9.286 1.714 11.428 1.00 0.00 C ATOM 1185 O PHE A 74 -9.459 2.640 10.647 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.169 -0.148 10.196 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.319 -1.444 9.452 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -9.239 -1.584 8.349 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.526 -2.571 9.854 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -9.369 -2.845 7.670 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -7.651 -3.834 9.177 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.575 -3.970 8.084 1.00 0.00 C ATOM 0 H PHE A 74 -10.934 0.860 9.658 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.476 -0.399 11.869 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.935 0.644 9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.321 -0.226 10.876 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.832 -0.739 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.829 -2.470 10.673 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.063 -2.947 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.053 -4.677 9.489 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.673 -4.917 7.574 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.969 1.844 12.726 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.784 3.192 13.243 1.00 0.00 C ATOM 1204 C ASN A 75 -7.343 3.700 13.043 1.00 0.00 C ATOM 1205 O ASN A 75 -6.873 4.560 13.778 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.150 3.225 14.726 1.00 0.00 C ATOM 1207 CG ASN A 75 -8.213 2.308 15.514 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -7.205 2.733 16.065 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -8.624 1.028 15.532 1.00 0.00 N ATOM 0 H ASN A 75 -8.844 1.082 13.393 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.441 3.856 12.682 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.078 4.245 15.105 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.184 2.907 14.862 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.081 0.325 16.033 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.479 0.760 15.044 1.00 0.00 H new ATOM 1216 N SER A 76 -6.683 3.129 12.015 1.00 0.00 N ATOM 1217 CA SER A 76 -5.325 3.541 11.721 1.00 0.00 C ATOM 1218 C SER A 76 -4.776 2.672 10.590 1.00 0.00 C ATOM 1219 O SER A 76 -4.860 1.451 10.618 1.00 0.00 O ATOM 1220 CB SER A 76 -4.441 3.385 12.961 1.00 0.00 C ATOM 1221 OG SER A 76 -3.116 3.749 12.670 1.00 0.00 O ATOM 0 H SER A 76 -7.064 2.408 11.403 1.00 0.00 H new ATOM 0 HA SER A 76 -5.325 4.589 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.826 4.006 13.770 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.472 2.353 13.310 1.00 0.00 H new ATOM 0 HG SER A 76 -2.564 3.645 13.473 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.205 3.379 9.599 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.556 2.623 8.543 1.00 0.00 C ATOM 1229 C LEU A 77 -2.647 1.546 9.151 1.00 0.00 C ATOM 1230 O LEU A 77 -2.588 0.414 8.684 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.739 3.565 7.661 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.610 4.648 7.024 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.751 5.643 6.244 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.671 4.022 6.120 1.00 0.00 C ATOM 0 H LEU A 77 -4.182 4.395 9.515 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.316 2.136 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.956 4.033 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.243 2.991 6.878 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.118 5.191 7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.391 6.405 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.039 6.116 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.210 5.118 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.281 4.809 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.184 3.450 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.306 3.360 6.709 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.951 1.972 10.223 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.065 1.047 10.904 1.00 0.00 C ATOM 1248 C ASN A 78 -1.829 -0.164 11.461 1.00 0.00 C ATOM 1249 O ASN A 78 -1.291 -1.261 11.553 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.362 1.770 12.050 1.00 0.00 C ATOM 1251 CG ASN A 78 0.418 2.970 11.511 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.564 2.863 11.093 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.283 4.118 11.561 1.00 0.00 N ATOM 0 H ASN A 78 -1.990 2.914 10.613 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.336 0.683 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.095 2.103 12.785 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.315 1.086 12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.139 4.988 11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.236 4.118 11.925 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.101 0.087 11.829 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.886 -1.039 12.313 1.00 0.00 C ATOM 1262 C GLU A 79 -4.148 -2.074 11.197 1.00 0.00 C ATOM 1263 O GLU A 79 -4.351 -3.253 11.457 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.219 -0.516 12.846 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.082 -1.633 13.431 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.349 -2.299 14.597 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -5.506 -1.841 15.728 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.633 -3.272 14.362 1.00 0.00 O ATOM 0 H GLU A 79 -3.570 0.992 11.802 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.324 -1.537 13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.032 0.236 13.612 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.763 -0.023 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.035 -1.228 13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.307 -2.372 12.662 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.136 -1.556 9.953 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.423 -2.379 8.799 1.00 0.00 C ATOM 1277 C LEU A 80 -3.154 -3.110 8.370 1.00 0.00 C ATOM 1278 O LEU A 80 -3.118 -4.327 8.233 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.929 -1.439 7.709 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.421 -2.123 6.436 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.476 -1.196 5.835 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.248 -2.419 5.492 1.00 0.00 C ATOM 0 H LEU A 80 -3.931 -0.580 9.740 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.175 -3.139 9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.743 -0.840 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.127 -0.750 7.445 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.869 -3.097 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.866 -1.636 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.290 -1.061 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.026 -0.229 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.620 -2.906 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.754 -1.486 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.536 -3.075 5.992 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.116 -2.278 8.183 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.831 -2.861 7.852 1.00 0.00 C ATOM 1296 C VAL A 81 -0.425 -3.868 8.936 1.00 0.00 C ATOM 1297 O VAL A 81 0.032 -4.970 8.657 1.00 0.00 O ATOM 1298 CB VAL A 81 0.217 -1.753 7.759 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.600 -2.333 7.459 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.181 -0.720 6.705 1.00 0.00 C ATOM 0 H VAL A 81 -2.145 -1.261 8.252 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.901 -3.377 6.894 1.00 0.00 H new ATOM 0 HB VAL A 81 0.266 -1.251 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.328 -1.524 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.887 -3.020 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.572 -2.869 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.579 0.060 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.266 -1.206 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.139 -0.276 6.974 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.629 -3.407 10.183 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.277 -4.244 11.313 1.00 0.00 C ATOM 1312 C ASP A 82 -1.135 -5.510 11.316 1.00 0.00 C ATOM 1313 O ASP A 82 -0.645 -6.626 11.191 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.499 -3.465 12.611 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.084 -4.321 13.809 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.862 -5.097 13.677 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.713 -4.205 14.860 1.00 0.00 O ATOM 0 H ASP A 82 -1.021 -2.494 10.416 1.00 0.00 H new ATOM 0 HA ASP A 82 0.772 -4.530 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.080 -2.542 12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.548 -3.182 12.701 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.445 -5.253 11.482 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.357 -6.378 11.585 1.00 0.00 C ATOM 1324 C TYR A 83 -3.100 -7.380 10.456 1.00 0.00 C ATOM 1325 O TYR A 83 -3.099 -8.589 10.658 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.801 -5.879 11.528 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.775 -7.006 11.710 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.123 -7.851 10.598 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.369 -7.247 13.000 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.059 -8.932 10.772 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.304 -8.327 13.177 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.649 -9.168 12.062 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.546 -10.204 12.230 1.00 0.00 O ATOM 0 H TYR A 83 -2.867 -4.327 11.544 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.190 -6.881 12.537 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.960 -5.129 12.303 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.982 -5.390 10.571 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.680 -7.674 9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.112 -6.615 13.837 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.317 -9.564 9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.746 -8.506 14.146 1.00 0.00 H new ATOM 0 HH TYR A 83 -8.849 -10.226 13.162 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.883 -6.800 9.262 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.646 -7.665 8.120 1.00 0.00 C ATOM 1345 C HIS A 84 -1.146 -7.746 7.824 1.00 0.00 C ATOM 1346 O HIS A 84 -0.707 -7.668 6.684 1.00 0.00 O ATOM 1347 CB HIS A 84 -3.397 -7.133 6.897 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.880 -7.123 7.184 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -5.694 -8.184 6.987 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -5.650 -6.060 7.686 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.920 -7.778 7.360 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.925 -6.501 7.785 1.00 0.00 N ATOM 0 H HIS A 84 -2.869 -5.797 9.078 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.012 -8.665 8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.055 -6.126 6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.188 -7.757 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.291 -5.075 7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.799 -8.404 7.323 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.731 -5.971 8.116 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.396 -7.906 8.930 1.00 0.00 N ATOM 1361 CA ARG A 85 1.042 -8.017 8.772 1.00 0.00 C ATOM 1362 C ARG A 85 1.441 -9.472 8.494 1.00 0.00 C ATOM 1363 O ARG A 85 2.307 -9.754 7.673 1.00 0.00 O ATOM 1364 CB ARG A 85 1.737 -7.516 10.039 1.00 0.00 C ATOM 1365 CG ARG A 85 3.260 -7.593 9.922 1.00 0.00 C ATOM 1366 CD ARG A 85 3.795 -6.674 8.823 1.00 0.00 C ATOM 1367 NE ARG A 85 5.240 -6.776 8.748 1.00 0.00 N ATOM 1368 CZ ARG A 85 5.981 -6.174 9.696 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.394 -5.497 10.680 1.00 0.00 N ATOM 1370 NH2 ARG A 85 7.308 -6.256 9.651 1.00 0.00 N ATOM 0 H ARG A 85 -0.747 -7.958 9.886 1.00 0.00 H new ATOM 0 HA ARG A 85 1.352 -7.406 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.439 -6.486 10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.408 -8.109 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.712 -7.319 10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.556 -8.621 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.353 -6.945 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.505 -5.643 9.027 1.00 0.00 H new ATOM 0 HE ARG A 85 5.686 -7.294 7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.377 -5.432 10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.961 -5.043 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.762 -6.774 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.872 -5.800 10.369 1.00 0.00 H new ATOM 1384 N SER A 86 0.757 -10.371 9.227 1.00 0.00 N ATOM 1385 CA SER A 86 1.079 -11.777 9.061 1.00 0.00 C ATOM 1386 C SER A 86 -0.087 -12.537 8.411 1.00 0.00 C ATOM 1387 O SER A 86 0.111 -13.443 7.611 1.00 0.00 O ATOM 1388 CB SER A 86 1.408 -12.391 10.421 1.00 0.00 C ATOM 1389 OG SER A 86 1.761 -13.744 10.282 1.00 0.00 O ATOM 0 H SER A 86 0.021 -10.156 9.900 1.00 0.00 H new ATOM 0 HA SER A 86 1.945 -11.858 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.227 -11.842 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.548 -12.301 11.084 1.00 0.00 H new ATOM 0 HG SER A 86 1.970 -14.120 11.163 1.00 0.00 H new ATOM 1395 N THR A 87 -1.305 -12.116 8.801 1.00 0.00 N ATOM 1396 CA THR A 87 -2.467 -12.798 8.263 1.00 0.00 C ATOM 1397 C THR A 87 -2.748 -12.344 6.832 1.00 0.00 C ATOM 1398 O THR A 87 -3.886 -12.128 6.434 1.00 0.00 O ATOM 1399 CB THR A 87 -3.683 -12.540 9.155 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.784 -13.261 8.663 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.035 -11.053 9.212 1.00 0.00 C ATOM 0 H THR A 87 -1.493 -11.351 9.449 1.00 0.00 H new ATOM 0 HA THR A 87 -2.264 -13.869 8.244 1.00 0.00 H new ATOM 0 HB THR A 87 -3.436 -12.868 10.165 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.863 -13.118 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.903 -10.909 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.190 -10.494 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.263 -10.694 8.208 1.00 0.00 H new ATOM 1409 N SER A 88 -1.636 -12.242 6.085 1.00 0.00 N ATOM 1410 CA SER A 88 -1.807 -12.021 4.666 1.00 0.00 C ATOM 1411 C SER A 88 -2.777 -10.857 4.432 1.00 0.00 C ATOM 1412 O SER A 88 -2.879 -9.933 5.229 1.00 0.00 O ATOM 1413 CB SER A 88 -2.340 -13.316 4.051 1.00 0.00 C ATOM 1414 OG SER A 88 -1.461 -14.382 4.311 1.00 0.00 O ATOM 0 H SER A 88 -0.676 -12.306 6.423 1.00 0.00 H new ATOM 0 HA SER A 88 -0.859 -11.757 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.325 -13.541 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.462 -13.191 2.975 1.00 0.00 H new ATOM 0 HG SER A 88 -1.375 -14.938 3.509 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.482 -10.970 3.291 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.431 -9.923 2.959 1.00 0.00 C ATOM 1422 C VAL A 89 -5.182 -10.274 1.670 1.00 0.00 C ATOM 1423 O VAL A 89 -6.387 -10.085 1.557 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.695 -8.589 2.803 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.571 -8.694 1.773 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.673 -7.476 2.428 1.00 0.00 C ATOM 0 H VAL A 89 -3.412 -11.737 2.623 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.159 -9.833 3.766 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.243 -8.341 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.067 -7.731 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.854 -9.451 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.989 -8.975 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.131 -6.536 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.161 -7.723 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.426 -7.374 3.210 1.00 0.00 H new ATOM 1436 N SER A 90 -4.397 -10.806 0.716 1.00 0.00 N ATOM 1437 CA SER A 90 -5.012 -11.208 -0.534 1.00 0.00 C ATOM 1438 C SER A 90 -5.613 -12.607 -0.381 1.00 0.00 C ATOM 1439 O SER A 90 -5.115 -13.443 0.363 1.00 0.00 O ATOM 1440 CB SER A 90 -3.965 -11.205 -1.650 1.00 0.00 C ATOM 1441 OG SER A 90 -4.548 -11.565 -2.877 1.00 0.00 O ATOM 0 H SER A 90 -3.391 -10.957 0.789 1.00 0.00 H new ATOM 0 HA SER A 90 -5.804 -10.505 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.515 -10.215 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.162 -11.901 -1.405 1.00 0.00 H new ATOM 0 HG SER A 90 -3.864 -11.556 -3.579 1.00 0.00 H new ATOM 1502 N GLN A 94 -1.054 -15.792 1.527 1.00 0.00 N ATOM 1503 CA GLN A 94 0.388 -15.959 1.498 1.00 0.00 C ATOM 1504 C GLN A 94 1.058 -14.613 1.195 1.00 0.00 C ATOM 1505 O GLN A 94 1.984 -14.520 0.398 1.00 0.00 O ATOM 1506 CB GLN A 94 0.772 -16.983 0.429 1.00 0.00 C ATOM 1507 CG GLN A 94 0.320 -16.549 -0.965 1.00 0.00 C ATOM 1508 CD GLN A 94 0.729 -17.602 -1.997 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.045 -18.596 -2.212 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.884 -17.309 -2.619 1.00 0.00 N ATOM 0 HA GLN A 94 0.727 -16.317 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.853 -17.124 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.324 -17.947 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.761 -16.413 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.766 -15.587 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.391 -16.457 -2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.253 -17.938 -3.332 1.00 0.00 H new ATOM 1519 N ILE A 95 0.521 -13.582 1.875 1.00 0.00 N ATOM 1520 CA ILE A 95 1.035 -12.249 1.630 1.00 0.00 C ATOM 1521 C ILE A 95 1.713 -11.713 2.893 1.00 0.00 C ATOM 1522 O ILE A 95 1.305 -11.988 4.014 1.00 0.00 O ATOM 1523 CB ILE A 95 -0.109 -11.321 1.218 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.842 -11.862 -0.009 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.401 -9.903 0.961 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.046 -11.850 -1.253 1.00 0.00 C ATOM 0 H ILE A 95 -0.230 -13.651 2.562 1.00 0.00 H new ATOM 0 HA ILE A 95 1.768 -12.290 0.824 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.818 -11.282 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.178 -12.880 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.734 -11.263 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.432 -9.264 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.859 -9.511 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.141 -9.922 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.513 -12.242 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.360 -10.828 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.925 -12.471 -1.079 1.00 0.00 H new ATOM 1538 N PHE A 96 2.774 -10.932 2.625 1.00 0.00 N ATOM 1539 CA PHE A 96 3.482 -10.332 3.739 1.00 0.00 C ATOM 1540 C PHE A 96 3.766 -8.862 3.426 1.00 0.00 C ATOM 1541 O PHE A 96 4.237 -8.511 2.351 1.00 0.00 O ATOM 1542 CB PHE A 96 4.790 -11.085 3.987 1.00 0.00 C ATOM 1543 CG PHE A 96 5.537 -10.507 5.154 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.299 -11.005 6.484 1.00 0.00 C ATOM 1545 CD2 PHE A 96 6.495 -9.452 4.951 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.014 -10.452 7.605 1.00 0.00 C ATOM 1547 CE2 PHE A 96 7.212 -8.897 6.069 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.971 -9.398 7.396 1.00 0.00 C ATOM 0 H PHE A 96 3.136 -10.717 1.696 1.00 0.00 H new ATOM 0 HA PHE A 96 2.869 -10.393 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.577 -12.138 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.414 -11.040 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.581 -11.797 6.641 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.677 -9.075 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.832 -10.828 8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.930 -8.106 5.912 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.509 -8.983 8.236 1.00 0.00 H new ATOM 1558 N LEU A 97 3.442 -8.030 4.431 1.00 0.00 N ATOM 1559 CA LEU A 97 3.671 -6.614 4.222 1.00 0.00 C ATOM 1560 C LEU A 97 5.085 -6.252 4.691 1.00 0.00 C ATOM 1561 O LEU A 97 5.362 -6.113 5.876 1.00 0.00 O ATOM 1562 CB LEU A 97 2.608 -5.804 4.970 1.00 0.00 C ATOM 1563 CG LEU A 97 1.190 -6.148 4.508 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.152 -5.313 5.261 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.044 -5.941 2.999 1.00 0.00 C ATOM 0 H LEU A 97 3.048 -8.299 5.333 1.00 0.00 H new ATOM 0 HA LEU A 97 3.592 -6.375 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.696 -5.993 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.790 -4.740 4.818 1.00 0.00 H new ATOM 0 HG LEU A 97 1.013 -7.200 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.847 -5.576 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.230 -5.513 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.333 -4.254 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.028 -6.192 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.250 -4.899 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.750 -6.584 2.474 1.00 0.00 H new ATOM 1577 N ARG A 98 5.952 -6.120 3.668 1.00 0.00 N ATOM 1578 CA ARG A 98 7.351 -5.845 3.947 1.00 0.00 C ATOM 1579 C ARG A 98 7.624 -4.342 3.823 1.00 0.00 C ATOM 1580 O ARG A 98 6.963 -3.622 3.087 1.00 0.00 O ATOM 1581 CB ARG A 98 8.220 -6.623 2.956 1.00 0.00 C ATOM 1582 CG ARG A 98 9.719 -6.347 3.113 1.00 0.00 C ATOM 1583 CD ARG A 98 10.323 -6.999 4.359 1.00 0.00 C ATOM 1584 NE ARG A 98 9.798 -6.390 5.566 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.322 -6.751 6.753 1.00 0.00 C ATOM 1586 NH1 ARG A 98 11.302 -7.649 6.810 1.00 0.00 N ATOM 1587 NH2 ARG A 98 9.858 -6.206 7.875 1.00 0.00 N ATOM 0 H ARG A 98 5.709 -6.198 2.680 1.00 0.00 H new ATOM 0 HA ARG A 98 7.591 -6.158 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.039 -7.690 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.916 -6.369 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.244 -6.711 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.881 -5.270 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.102 -8.066 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.408 -6.898 4.338 1.00 0.00 H new ATOM 0 HE ARG A 98 9.047 -5.702 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.660 -8.068 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.695 -7.918 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.107 -5.517 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.253 -6.478 8.775 1.00 0.00 H new ATOM 1601 N ASP A 99 8.638 -3.924 4.603 1.00 0.00 N ATOM 1602 CA ASP A 99 8.952 -2.505 4.647 1.00 0.00 C ATOM 1603 C ASP A 99 9.624 -2.019 3.354 1.00 0.00 C ATOM 1604 O ASP A 99 10.464 -1.127 3.365 1.00 0.00 O ATOM 1605 CB ASP A 99 9.869 -2.242 5.835 1.00 0.00 C ATOM 1606 CG ASP A 99 11.205 -2.960 5.634 1.00 0.00 C ATOM 1607 OD1 ASP A 99 11.323 -3.721 4.674 1.00 0.00 O ATOM 1608 OD2 ASP A 99 12.112 -2.749 6.437 1.00 0.00 O ATOM 0 H ASP A 99 9.224 -4.525 5.183 1.00 0.00 H new ATOM 0 HA ASP A 99 8.018 -1.953 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.036 -1.171 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.396 -2.588 6.754 1.00 0.00 H new ATOM 1613 N ILE A 100 9.193 -2.651 2.249 1.00 0.00 N ATOM 1614 CA ILE A 100 9.660 -2.213 0.950 1.00 0.00 C ATOM 1615 C ILE A 100 11.156 -1.878 1.012 1.00 0.00 C ATOM 1616 O ILE A 100 11.937 -2.542 1.684 1.00 0.00 O ATOM 1617 CB ILE A 100 8.749 -1.078 0.464 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.802 -0.903 -1.053 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.976 0.241 1.204 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.806 0.149 -1.533 1.00 0.00 C ATOM 0 H ILE A 100 8.545 -3.438 2.239 1.00 0.00 H new ATOM 0 HA ILE A 100 9.589 -3.003 0.202 1.00 0.00 H new ATOM 0 HB ILE A 100 7.735 -1.388 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.810 -0.614 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.587 -1.856 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.300 1.000 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.784 0.099 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.007 0.565 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.873 0.246 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.796 -0.154 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.037 1.108 -1.068 1.00 0.00 H new ATOM 1632 N GLU A 101 11.499 -0.826 0.255 1.00 0.00 N ATOM 1633 CA GLU A 101 12.890 -0.452 0.120 1.00 0.00 C ATOM 1634 C GLU A 101 13.268 0.587 1.180 1.00 0.00 C ATOM 1635 O GLU A 101 13.960 1.561 0.907 1.00 0.00 O ATOM 1636 CB GLU A 101 13.076 0.140 -1.273 1.00 0.00 C ATOM 1637 CG GLU A 101 12.896 -0.910 -2.370 1.00 0.00 C ATOM 1638 CD GLU A 101 13.071 -0.260 -3.744 1.00 0.00 C ATOM 1639 OE1 GLU A 101 12.675 0.893 -3.902 1.00 0.00 O ATOM 1640 OE2 GLU A 101 13.606 -0.913 -4.638 1.00 0.00 O ATOM 0 H GLU A 101 10.841 -0.239 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 101 13.530 -1.324 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.359 0.947 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.071 0.579 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.623 -1.712 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.907 -1.362 -2.295 1.00 0.00 H new