USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 26 GLN : amide:sc= -0.33 K(o=-1.8,f=-1.2) USER MOD Set 1.2: A 30 MET CE :methyl -153:sc= -1.44 (180deg=-2.86!) USER MOD Set 2.1: A 15 TYR OH : rot 8:sc= 0.676 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.23 X(o=0.45,f=0.22) USER MOD Set 3.1: A 11 ASN : amide:sc= 0.191 K(o=0.4,f=-2.1) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 152:sc= 0.204 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -0.899 (180deg=-2.75!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 140:sc= 0.223 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 31:sc= 0.0286 USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Single : A 28 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-1.8) USER MOD Single : A 34 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-2.6!) USER MOD Single : A 40 HIS : no HD1:sc= -1.92 K(o=-1.9,f=0.15) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 173:sc=-0.00183 (180deg=-0.049) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -2.01! K(o=-2!,f=0.028) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 0.814 (180deg=0.0943) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 TYR OH : rot 130:sc= -0.912 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= 0.367 (180deg=0.135) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 93:sc= 0.431 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.7!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -78:sc= 0.528 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -2.480 -14.188 3.352 1.00 0.00 N ATOM 84 CA LYS A 7 -3.771 -13.552 2.991 1.00 0.00 C ATOM 85 C LYS A 7 -5.013 -14.261 3.608 1.00 0.00 C ATOM 86 O LYS A 7 -6.102 -14.239 3.017 1.00 0.00 O ATOM 87 CB LYS A 7 -3.876 -13.464 1.436 1.00 0.00 C ATOM 88 CG LYS A 7 -3.831 -14.812 0.689 1.00 0.00 C ATOM 89 CD LYS A 7 -3.946 -14.677 -0.858 1.00 0.00 C ATOM 90 CE LYS A 7 -2.662 -14.146 -1.544 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.355 -12.725 -1.231 1.00 0.00 N ATOM 0 HA LYS A 7 -3.778 -12.551 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.807 -12.958 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.062 -12.838 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.898 -15.320 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.642 -15.444 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.194 -15.651 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.774 -14.008 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.818 -14.765 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.767 -14.256 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.918 -12.274 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.234 -12.225 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.698 -12.681 -0.426 1.00 0.00 H new ATOM 105 N ILE A 8 -4.840 -14.837 4.815 1.00 0.00 N ATOM 106 CA ILE A 8 -5.913 -15.499 5.593 1.00 0.00 C ATOM 107 C ILE A 8 -7.111 -14.549 5.808 1.00 0.00 C ATOM 108 O ILE A 8 -8.272 -14.912 5.576 1.00 0.00 O ATOM 109 CB ILE A 8 -5.383 -15.917 7.025 1.00 0.00 C ATOM 110 CG1 ILE A 8 -4.050 -16.715 6.938 1.00 0.00 C ATOM 111 CG2 ILE A 8 -6.452 -16.712 7.822 1.00 0.00 C ATOM 112 CD1 ILE A 8 -3.407 -17.007 8.289 1.00 0.00 C ATOM 0 H ILE A 8 -3.936 -14.857 5.287 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.224 -16.375 5.024 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.181 -14.994 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.237 -17.659 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.344 -16.155 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.051 -16.981 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.342 -16.096 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.714 -17.618 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.483 -17.566 8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.185 -16.068 8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.092 -17.596 8.899 1.00 0.00 H new ATOM 124 N PHE A 9 -6.788 -13.315 6.245 1.00 0.00 N ATOM 125 CA PHE A 9 -7.781 -12.310 6.646 1.00 0.00 C ATOM 126 C PHE A 9 -7.768 -11.110 5.681 1.00 0.00 C ATOM 127 O PHE A 9 -8.428 -10.111 5.961 1.00 0.00 O ATOM 128 CB PHE A 9 -7.487 -11.818 8.095 1.00 0.00 C ATOM 129 CG PHE A 9 -7.326 -12.921 9.143 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.427 -13.634 9.617 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.069 -13.240 9.655 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.270 -14.634 10.565 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.915 -14.237 10.599 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.016 -14.932 11.055 1.00 0.00 C ATOM 0 H PHE A 9 -5.825 -12.990 6.328 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.767 -12.774 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.576 -11.219 8.079 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.297 -11.159 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.413 -13.405 9.241 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.201 -12.699 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.131 -15.180 10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.932 -14.472 10.980 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.896 -15.709 11.795 1.00 0.00 H new ATOM 144 N LYS A 10 -7.046 -11.237 4.541 1.00 0.00 N ATOM 145 CA LYS A 10 -6.707 -10.096 3.640 1.00 0.00 C ATOM 146 C LYS A 10 -7.940 -9.245 3.261 1.00 0.00 C ATOM 147 O LYS A 10 -8.031 -8.070 3.642 1.00 0.00 O ATOM 148 CB LYS A 10 -6.005 -10.616 2.357 1.00 0.00 C ATOM 149 CG LYS A 10 -5.570 -9.516 1.355 1.00 0.00 C ATOM 150 CD LYS A 10 -4.554 -8.523 1.965 1.00 0.00 C ATOM 151 CE LYS A 10 -4.226 -7.343 1.035 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.298 -6.373 1.681 1.00 0.00 N ATOM 0 H LYS A 10 -6.680 -12.132 4.216 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.029 -9.447 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.125 -11.188 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.678 -11.305 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.130 -9.985 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.450 -8.968 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.952 -8.137 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.634 -9.056 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.777 -7.718 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.148 -6.833 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.100 -5.592 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.737 -5.996 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.409 -6.853 1.925 1.00 0.00 H new ATOM 166 N ASN A 11 -8.878 -9.853 2.511 1.00 0.00 N ATOM 167 CA ASN A 11 -10.126 -9.178 2.087 1.00 0.00 C ATOM 168 C ASN A 11 -11.207 -9.309 3.184 1.00 0.00 C ATOM 169 O ASN A 11 -12.260 -8.661 3.124 1.00 0.00 O ATOM 170 CB ASN A 11 -10.629 -9.752 0.731 1.00 0.00 C ATOM 171 CG ASN A 11 -11.735 -8.910 0.071 1.00 0.00 C ATOM 172 OD1 ASN A 11 -11.772 -7.681 0.220 1.00 0.00 O ATOM 173 ND2 ASN A 11 -12.643 -9.555 -0.649 1.00 0.00 N ATOM 0 H ASN A 11 -8.797 -10.815 2.183 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.916 -8.118 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.786 -9.829 0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.002 -10.763 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.399 -9.038 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.586 -10.568 -0.753 1.00 0.00 H new ATOM 180 N CYS A 12 -10.909 -10.128 4.200 1.00 0.00 N ATOM 181 CA CYS A 12 -11.814 -10.406 5.305 1.00 0.00 C ATOM 182 C CYS A 12 -11.768 -9.255 6.327 1.00 0.00 C ATOM 183 O CYS A 12 -10.709 -8.932 6.879 1.00 0.00 O ATOM 184 CB CYS A 12 -11.416 -11.748 5.961 1.00 0.00 C ATOM 185 SG CYS A 12 -11.044 -13.056 4.765 1.00 0.00 S ATOM 0 H CYS A 12 -10.018 -10.620 4.272 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.836 -10.485 4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.544 -11.588 6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.226 -12.080 6.610 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.022 -13.745 5.179 1.00 0.00 H new ATOM 191 N VAL A 13 -12.914 -8.600 6.512 1.00 0.00 N ATOM 192 CA VAL A 13 -13.118 -7.624 7.587 1.00 0.00 C ATOM 193 C VAL A 13 -13.656 -8.386 8.815 1.00 0.00 C ATOM 194 O VAL A 13 -14.642 -9.126 8.688 1.00 0.00 O ATOM 195 CB VAL A 13 -14.125 -6.505 7.130 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.251 -5.388 8.190 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.730 -5.917 5.752 1.00 0.00 C ATOM 0 H VAL A 13 -13.733 -8.731 5.918 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.180 -7.129 7.838 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.103 -6.975 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.955 -4.632 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.611 -5.814 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.276 -4.928 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.446 -5.147 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.733 -5.480 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.732 -6.710 5.004 1.00 0.00 H new ATOM 207 N ILE A 14 -12.978 -8.262 9.980 1.00 0.00 N ATOM 208 CA ILE A 14 -13.369 -8.976 11.226 1.00 0.00 C ATOM 209 C ILE A 14 -13.791 -7.988 12.346 1.00 0.00 C ATOM 210 O ILE A 14 -13.027 -7.109 12.740 1.00 0.00 O ATOM 211 CB ILE A 14 -12.222 -9.923 11.776 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.951 -11.160 10.843 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.521 -10.401 13.219 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.132 -10.876 9.600 1.00 0.00 C ATOM 0 H ILE A 14 -12.153 -7.672 10.086 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.222 -9.596 10.950 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.316 -9.317 11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.440 -11.927 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.910 -11.578 10.537 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.714 -11.048 13.563 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.600 -9.537 13.879 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.460 -10.955 13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.005 -11.796 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.647 -10.137 8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.154 -10.491 9.889 1.00 0.00 H new ATOM 226 N TYR A 15 -14.997 -8.211 12.892 1.00 0.00 N ATOM 227 CA TYR A 15 -15.539 -7.499 14.064 1.00 0.00 C ATOM 228 C TYR A 15 -15.469 -8.436 15.275 1.00 0.00 C ATOM 229 O TYR A 15 -15.545 -9.647 15.112 1.00 0.00 O ATOM 230 CB TYR A 15 -17.004 -7.054 13.765 1.00 0.00 C ATOM 231 CG TYR A 15 -17.867 -6.672 14.981 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.628 -5.514 15.714 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.933 -7.485 15.389 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.412 -5.184 16.807 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.715 -7.155 16.475 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.451 -6.005 17.181 1.00 0.00 C ATOM 237 OH TYR A 15 -20.231 -5.681 18.267 1.00 0.00 O ATOM 0 H TYR A 15 -15.641 -8.910 12.522 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.957 -6.603 14.281 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.970 -6.200 13.089 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.504 -7.863 13.232 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.817 -4.861 15.426 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.147 -8.390 14.840 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -18.208 -4.283 17.366 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.532 -7.797 16.770 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.998 -4.782 18.581 1.00 0.00 H new ATOM 247 N ILE A 16 -15.287 -7.871 16.481 1.00 0.00 N ATOM 248 CA ILE A 16 -15.239 -8.646 17.741 1.00 0.00 C ATOM 249 C ILE A 16 -16.357 -8.156 18.671 1.00 0.00 C ATOM 250 O ILE A 16 -16.587 -6.951 18.802 1.00 0.00 O ATOM 251 CB ILE A 16 -13.829 -8.541 18.429 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.727 -9.097 17.467 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.803 -9.282 19.797 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.310 -8.932 17.965 1.00 0.00 C ATOM 0 H ILE A 16 -15.169 -6.867 16.614 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.396 -9.701 17.518 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.623 -7.490 18.632 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.916 -10.157 17.295 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.819 -8.596 16.503 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.813 -9.188 20.243 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.545 -8.842 20.464 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.033 -10.336 19.644 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.617 -9.346 17.233 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.096 -7.873 18.109 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.194 -9.458 18.913 1.00 0.00 H new ATOM 266 N ASN A 17 -17.025 -9.114 19.318 1.00 0.00 N ATOM 267 CA ASN A 17 -18.284 -8.908 20.033 1.00 0.00 C ATOM 268 C ASN A 17 -18.207 -9.623 21.392 1.00 0.00 C ATOM 269 O ASN A 17 -17.874 -10.815 21.450 1.00 0.00 O ATOM 270 CB ASN A 17 -19.454 -9.487 19.191 1.00 0.00 C ATOM 271 CG ASN A 17 -20.844 -9.132 19.732 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.064 -8.033 20.249 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.783 -10.059 19.625 1.00 0.00 N ATOM 0 H ASN A 17 -16.696 -10.079 19.359 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.456 -7.844 20.193 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.369 -9.120 18.168 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.357 -10.572 19.150 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.723 -9.876 19.976 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.566 -10.957 19.192 1.00 0.00 H new ATOM 280 N GLY A 18 -18.511 -8.887 22.473 1.00 0.00 N ATOM 281 CA GLY A 18 -18.434 -9.425 23.836 1.00 0.00 C ATOM 282 C GLY A 18 -16.998 -9.493 24.345 1.00 0.00 C ATOM 283 O GLY A 18 -16.118 -8.790 23.823 1.00 0.00 O ATOM 0 H GLY A 18 -18.813 -7.914 22.426 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.026 -8.801 24.506 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.873 -10.422 23.857 1.00 0.00 H new ATOM 287 N TYR A 19 -16.759 -10.329 25.369 1.00 0.00 N ATOM 288 CA TYR A 19 -15.416 -10.557 25.930 1.00 0.00 C ATOM 289 C TYR A 19 -14.874 -11.903 25.437 1.00 0.00 C ATOM 290 O TYR A 19 -15.408 -12.965 25.775 1.00 0.00 O ATOM 291 CB TYR A 19 -15.464 -10.480 27.479 1.00 0.00 C ATOM 292 CG TYR A 19 -15.781 -9.058 27.985 1.00 0.00 C ATOM 293 CD1 TYR A 19 -14.778 -8.082 28.034 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.075 -8.678 28.369 1.00 0.00 C ATOM 295 CE1 TYR A 19 -15.045 -6.796 28.455 1.00 0.00 C ATOM 296 CE2 TYR A 19 -17.342 -7.381 28.786 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.325 -6.450 28.826 1.00 0.00 C ATOM 298 OH TYR A 19 -16.590 -5.164 29.240 1.00 0.00 O ATOM 0 H TYR A 19 -17.492 -10.866 25.832 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.735 -9.778 25.588 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.219 -11.172 27.852 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.506 -10.803 27.886 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.773 -8.342 27.736 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.874 -9.404 28.340 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.253 -6.063 28.494 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.343 -7.102 29.078 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.540 -5.082 29.466 1.00 0.00 H new ATOM 308 N THR A 20 -13.840 -11.822 24.589 1.00 0.00 N ATOM 309 CA THR A 20 -13.140 -12.972 24.015 1.00 0.00 C ATOM 310 C THR A 20 -11.669 -12.915 24.444 1.00 0.00 C ATOM 311 O THR A 20 -11.064 -11.829 24.419 1.00 0.00 O ATOM 312 CB THR A 20 -13.229 -12.924 22.448 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.672 -11.686 21.957 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.680 -13.051 21.940 1.00 0.00 C ATOM 0 H THR A 20 -13.459 -10.929 24.277 1.00 0.00 H new ATOM 0 HA THR A 20 -13.599 -13.896 24.368 1.00 0.00 H new ATOM 0 HB THR A 20 -12.660 -13.775 22.073 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.964 -11.383 22.563 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.689 -13.012 20.851 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.100 -14.000 22.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.278 -12.230 22.337 1.00 0.00 H new ATOM 322 N LYS A 21 -11.095 -14.055 24.886 1.00 0.00 N ATOM 323 CA LYS A 21 -9.643 -14.154 25.149 1.00 0.00 C ATOM 324 C LYS A 21 -8.928 -14.905 23.994 1.00 0.00 C ATOM 325 O LYS A 21 -9.413 -15.953 23.549 1.00 0.00 O ATOM 326 CB LYS A 21 -9.328 -14.804 26.518 1.00 0.00 C ATOM 327 CG LYS A 21 -9.963 -14.083 27.735 1.00 0.00 C ATOM 328 CD LYS A 21 -9.595 -12.573 27.836 1.00 0.00 C ATOM 329 CE LYS A 21 -8.087 -12.317 28.024 1.00 0.00 C ATOM 330 NZ LYS A 21 -7.568 -12.924 29.279 1.00 0.00 N ATOM 0 H LYS A 21 -11.612 -14.915 25.067 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.257 -13.136 25.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.674 -15.837 26.503 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.247 -14.832 26.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.047 -14.180 27.677 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.646 -14.586 28.649 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.932 -12.064 26.933 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.137 -12.131 28.672 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.542 -12.724 27.173 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.901 -11.243 28.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.571 -12.656 29.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.126 -12.581 30.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.643 -13.960 29.221 1.00 0.00 H new ATOM 344 N PRO A 22 -7.764 -14.372 23.469 1.00 0.00 N ATOM 345 CA PRO A 22 -7.112 -13.123 23.958 1.00 0.00 C ATOM 346 C PRO A 22 -7.897 -11.849 23.545 1.00 0.00 C ATOM 347 O PRO A 22 -8.776 -11.922 22.675 1.00 0.00 O ATOM 348 CB PRO A 22 -5.721 -13.185 23.300 1.00 0.00 C ATOM 349 CG PRO A 22 -5.976 -13.876 22.000 1.00 0.00 C ATOM 350 CD PRO A 22 -7.010 -14.947 22.323 1.00 0.00 C ATOM 0 HA PRO A 22 -7.070 -13.062 25.045 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.304 -12.189 23.149 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.011 -13.738 23.915 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.349 -13.180 21.249 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.062 -14.316 21.600 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.662 -15.144 21.472 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.538 -15.893 22.588 1.00 0.00 H new ATOM 358 N GLY A 23 -7.569 -10.714 24.198 1.00 0.00 N ATOM 359 CA GLY A 23 -8.331 -9.460 24.085 1.00 0.00 C ATOM 360 C GLY A 23 -8.563 -8.983 22.647 1.00 0.00 C ATOM 361 O GLY A 23 -7.807 -9.352 21.739 1.00 0.00 O ATOM 0 H GLY A 23 -6.764 -10.645 24.820 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.298 -9.592 24.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.804 -8.679 24.633 1.00 0.00 H new ATOM 365 N ARG A 24 -9.601 -8.144 22.465 1.00 0.00 N ATOM 366 CA ARG A 24 -10.034 -7.639 21.141 1.00 0.00 C ATOM 367 C ARG A 24 -8.888 -6.959 20.366 1.00 0.00 C ATOM 368 O ARG A 24 -8.797 -7.086 19.139 1.00 0.00 O ATOM 369 CB ARG A 24 -11.238 -6.672 21.291 1.00 0.00 C ATOM 370 CG ARG A 24 -10.929 -5.383 22.085 1.00 0.00 C ATOM 371 CD ARG A 24 -12.108 -4.400 22.130 1.00 0.00 C ATOM 372 NE ARG A 24 -11.699 -3.102 22.694 1.00 0.00 N ATOM 373 CZ ARG A 24 -12.400 -1.969 22.613 1.00 0.00 C ATOM 374 NH1 ARG A 24 -13.604 -1.940 22.052 1.00 0.00 N ATOM 375 NH2 ARG A 24 -11.891 -0.855 23.116 1.00 0.00 N ATOM 0 H ARG A 24 -10.169 -7.793 23.236 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.345 -8.505 20.557 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.592 -6.396 20.298 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.053 -7.201 21.784 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.649 -5.651 23.104 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.068 -4.887 21.638 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.502 -4.254 21.124 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.914 -4.822 22.730 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.807 -3.066 23.187 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.010 -2.795 21.672 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.122 -1.063 22.001 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.973 -0.869 23.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.417 0.017 23.060 1.00 0.00 H new ATOM 389 N LEU A 25 -8.024 -6.236 21.106 1.00 0.00 N ATOM 390 CA LEU A 25 -6.845 -5.568 20.540 1.00 0.00 C ATOM 391 C LEU A 25 -5.866 -6.596 19.949 1.00 0.00 C ATOM 392 O LEU A 25 -5.412 -6.437 18.822 1.00 0.00 O ATOM 393 CB LEU A 25 -6.179 -4.626 21.606 1.00 0.00 C ATOM 394 CG LEU A 25 -5.884 -5.215 23.050 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.566 -6.024 23.137 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.894 -4.107 24.125 1.00 0.00 C ATOM 0 H LEU A 25 -8.128 -6.101 22.112 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.159 -4.931 19.713 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.235 -4.271 21.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.822 -3.754 21.727 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.697 -5.914 23.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.433 -6.394 24.153 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.610 -6.866 22.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.726 -5.381 22.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.689 -4.546 25.101 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.129 -3.367 23.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.872 -3.625 24.142 1.00 0.00 H new ATOM 408 N GLN A 26 -5.640 -7.688 20.695 1.00 0.00 N ATOM 409 CA GLN A 26 -4.641 -8.722 20.359 1.00 0.00 C ATOM 410 C GLN A 26 -5.059 -9.487 19.097 1.00 0.00 C ATOM 411 O GLN A 26 -4.265 -9.639 18.168 1.00 0.00 O ATOM 412 CB GLN A 26 -4.459 -9.688 21.560 1.00 0.00 C ATOM 413 CG GLN A 26 -3.409 -10.805 21.359 1.00 0.00 C ATOM 414 CD GLN A 26 -1.981 -10.300 21.109 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.591 -9.226 21.568 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.177 -11.098 20.423 1.00 0.00 N ATOM 0 H GLN A 26 -6.149 -7.883 21.557 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.686 -8.239 20.154 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.179 -9.103 22.436 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.420 -10.152 21.780 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.405 -11.445 22.241 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.714 -11.425 20.516 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.528 -11.982 20.055 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.206 -10.829 20.263 1.00 0.00 H new ATOM 425 N LEU A 27 -6.322 -9.951 19.089 1.00 0.00 N ATOM 426 CA LEU A 27 -6.947 -10.619 17.928 1.00 0.00 C ATOM 427 C LEU A 27 -6.874 -9.743 16.660 1.00 0.00 C ATOM 428 O LEU A 27 -6.416 -10.204 15.614 1.00 0.00 O ATOM 429 CB LEU A 27 -8.423 -10.957 18.242 1.00 0.00 C ATOM 430 CG LEU A 27 -8.666 -12.035 19.337 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.160 -12.096 19.734 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.155 -13.418 18.874 1.00 0.00 C ATOM 0 H LEU A 27 -6.944 -9.873 19.894 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.392 -11.537 17.737 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.926 -10.040 18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.901 -11.291 17.321 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.098 -11.749 20.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.302 -12.858 20.501 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.473 -11.127 20.123 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.759 -12.347 18.859 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.337 -14.154 19.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.682 -13.716 17.967 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.086 -13.361 18.670 1.00 0.00 H new ATOM 444 N HIS A 28 -7.321 -8.472 16.778 1.00 0.00 N ATOM 445 CA HIS A 28 -7.328 -7.513 15.647 1.00 0.00 C ATOM 446 C HIS A 28 -5.906 -7.249 15.117 1.00 0.00 C ATOM 447 O HIS A 28 -5.716 -7.089 13.911 1.00 0.00 O ATOM 448 CB HIS A 28 -8.048 -6.183 16.028 1.00 0.00 C ATOM 449 CG HIS A 28 -9.554 -6.225 15.898 1.00 0.00 C ATOM 450 ND1 HIS A 28 -10.401 -5.318 16.511 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.357 -7.035 15.162 1.00 0.00 C ATOM 452 CE1 HIS A 28 -11.649 -5.564 16.152 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.650 -6.600 15.334 1.00 0.00 N ATOM 0 H HIS A 28 -7.683 -8.084 17.649 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.896 -7.973 14.839 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.792 -5.928 17.056 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.664 -5.383 15.396 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.039 -7.868 14.553 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.520 -5.012 16.473 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.476 -7.011 14.900 1.00 0.00 H new ATOM 462 N GLU A 29 -4.914 -7.234 16.022 1.00 0.00 N ATOM 463 CA GLU A 29 -3.486 -7.130 15.644 1.00 0.00 C ATOM 464 C GLU A 29 -3.059 -8.367 14.840 1.00 0.00 C ATOM 465 O GLU A 29 -2.473 -8.221 13.782 1.00 0.00 O ATOM 466 CB GLU A 29 -2.587 -6.960 16.888 1.00 0.00 C ATOM 467 CG GLU A 29 -2.701 -5.599 17.591 1.00 0.00 C ATOM 468 CD GLU A 29 -1.896 -5.545 18.900 1.00 0.00 C ATOM 469 OE1 GLU A 29 -2.421 -5.975 19.952 1.00 0.00 O ATOM 470 OE2 GLU A 29 -0.730 -5.084 18.886 1.00 0.00 O ATOM 0 H GLU A 29 -5.072 -7.293 17.028 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.365 -6.243 15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.832 -7.744 17.605 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.549 -7.113 16.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.350 -4.816 16.919 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.749 -5.390 17.804 1.00 0.00 H new ATOM 477 N MET A 30 -3.424 -9.577 15.315 1.00 0.00 N ATOM 478 CA MET A 30 -3.072 -10.854 14.638 1.00 0.00 C ATOM 479 C MET A 30 -3.591 -10.855 13.177 1.00 0.00 C ATOM 480 O MET A 30 -2.937 -11.363 12.261 1.00 0.00 O ATOM 481 CB MET A 30 -3.695 -12.068 15.376 1.00 0.00 C ATOM 482 CG MET A 30 -3.238 -12.332 16.809 1.00 0.00 C ATOM 483 SD MET A 30 -4.081 -13.785 17.496 1.00 0.00 S ATOM 484 CE MET A 30 -3.432 -13.859 19.160 1.00 0.00 C ATOM 0 H MET A 30 -3.966 -9.701 16.170 1.00 0.00 H new ATOM 0 HA MET A 30 -1.985 -10.938 14.651 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.777 -11.936 15.387 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.489 -12.962 14.787 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.159 -12.488 16.829 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.445 -11.459 17.428 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.461 -14.889 19.516 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.402 -13.502 19.165 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.037 -13.232 19.815 1.00 0.00 H new ATOM 494 N ILE A 31 -4.776 -10.265 13.013 1.00 0.00 N ATOM 495 CA ILE A 31 -5.465 -10.118 11.725 1.00 0.00 C ATOM 496 C ILE A 31 -4.694 -9.182 10.774 1.00 0.00 C ATOM 497 O ILE A 31 -4.395 -9.565 9.642 1.00 0.00 O ATOM 498 CB ILE A 31 -6.933 -9.614 11.996 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.734 -10.720 12.768 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.675 -9.181 10.708 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.004 -10.238 13.434 1.00 0.00 C ATOM 0 H ILE A 31 -5.299 -9.865 13.792 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.509 -11.083 11.221 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.863 -8.717 12.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.987 -11.518 12.070 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.085 -11.155 13.528 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.680 -8.845 10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.130 -8.367 10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.738 -10.026 10.023 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.488 -11.072 13.942 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.762 -9.462 14.160 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.678 -9.832 12.680 1.00 0.00 H new ATOM 513 N VAL A 32 -4.326 -7.986 11.266 1.00 0.00 N ATOM 514 CA VAL A 32 -3.644 -6.951 10.454 1.00 0.00 C ATOM 515 C VAL A 32 -2.183 -7.365 10.130 1.00 0.00 C ATOM 516 O VAL A 32 -1.636 -7.014 9.077 1.00 0.00 O ATOM 517 CB VAL A 32 -3.693 -5.553 11.171 1.00 0.00 C ATOM 518 CG1 VAL A 32 -3.005 -4.458 10.325 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.153 -5.149 11.497 1.00 0.00 C ATOM 0 H VAL A 32 -4.490 -7.706 12.233 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.178 -6.861 9.508 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.143 -5.647 12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.058 -3.505 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.961 -4.726 10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.510 -4.370 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.160 -4.178 11.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.729 -5.089 10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.599 -5.895 12.155 1.00 0.00 H new ATOM 529 N LEU A 33 -1.588 -8.152 11.040 1.00 0.00 N ATOM 530 CA LEU A 33 -0.252 -8.775 10.868 1.00 0.00 C ATOM 531 C LEU A 33 -0.266 -9.791 9.694 1.00 0.00 C ATOM 532 O LEU A 33 0.779 -10.108 9.126 1.00 0.00 O ATOM 533 CB LEU A 33 0.202 -9.456 12.209 1.00 0.00 C ATOM 534 CG LEU A 33 1.026 -8.572 13.223 1.00 0.00 C ATOM 535 CD1 LEU A 33 0.396 -7.186 13.487 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.253 -9.334 14.554 1.00 0.00 C ATOM 0 H LEU A 33 -2.023 -8.382 11.933 1.00 0.00 H new ATOM 0 HA LEU A 33 0.470 -7.997 10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.689 -9.818 12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.802 -10.330 11.958 1.00 0.00 H new ATOM 0 HG LEU A 33 1.989 -8.382 12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.016 -6.633 14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.330 -6.632 12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.603 -7.314 13.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.823 -8.707 15.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.290 -9.579 15.002 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.806 -10.253 14.358 1.00 0.00 H new ATOM 548 N HIS A 34 -1.468 -10.301 9.354 1.00 0.00 N ATOM 549 CA HIS A 34 -1.704 -11.182 8.184 1.00 0.00 C ATOM 550 C HIS A 34 -2.417 -10.407 7.052 1.00 0.00 C ATOM 551 O HIS A 34 -3.135 -10.994 6.233 1.00 0.00 O ATOM 552 CB HIS A 34 -2.492 -12.438 8.631 1.00 0.00 C ATOM 553 CG HIS A 34 -1.647 -13.388 9.438 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.246 -13.122 10.724 1.00 0.00 N ATOM 555 CD2 HIS A 34 -1.044 -14.550 9.097 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.451 -14.083 11.141 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.305 -14.963 10.175 1.00 0.00 N ATOM 0 H HIS A 34 -2.315 -10.112 9.890 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.749 -11.516 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.355 -12.131 9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.876 -12.955 7.752 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.522 -12.306 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.129 -15.059 8.148 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.007 -14.140 12.117 1.00 0.00 H new ATOM 566 N GLY A 35 -2.202 -9.077 7.031 1.00 0.00 N ATOM 567 CA GLY A 35 -2.701 -8.201 5.962 1.00 0.00 C ATOM 568 C GLY A 35 -4.206 -8.001 5.997 1.00 0.00 C ATOM 569 O GLY A 35 -4.803 -7.559 5.014 1.00 0.00 O ATOM 0 H GLY A 35 -1.678 -8.584 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.211 -7.230 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.421 -8.623 4.997 1.00 0.00 H new ATOM 573 N GLY A 36 -4.806 -8.303 7.147 1.00 0.00 N ATOM 574 CA GLY A 36 -6.252 -8.342 7.290 1.00 0.00 C ATOM 575 C GLY A 36 -6.866 -7.033 7.728 1.00 0.00 C ATOM 576 O GLY A 36 -6.168 -6.136 8.226 1.00 0.00 O ATOM 0 H GLY A 36 -4.299 -8.527 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.692 -8.636 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.514 -9.114 8.014 1.00 0.00 H new ATOM 580 N LYS A 37 -8.192 -6.935 7.557 1.00 0.00 N ATOM 581 CA LYS A 37 -8.976 -5.743 7.908 1.00 0.00 C ATOM 582 C LYS A 37 -9.922 -6.072 9.069 1.00 0.00 C ATOM 583 O LYS A 37 -10.203 -7.247 9.347 1.00 0.00 O ATOM 584 CB LYS A 37 -9.759 -5.252 6.661 1.00 0.00 C ATOM 585 CG LYS A 37 -8.847 -4.879 5.466 1.00 0.00 C ATOM 586 CD LYS A 37 -9.630 -4.569 4.173 1.00 0.00 C ATOM 587 CE LYS A 37 -10.459 -5.770 3.686 1.00 0.00 C ATOM 588 NZ LYS A 37 -11.106 -5.513 2.379 1.00 0.00 N ATOM 0 H LYS A 37 -8.756 -7.690 7.167 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.312 -4.941 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.454 -6.031 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.357 -4.383 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.245 -4.011 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.156 -5.700 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.292 -3.721 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.931 -4.272 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.814 -6.645 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.223 -6.006 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.237 -6.412 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.032 -5.064 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.505 -4.882 1.812 1.00 0.00 H new ATOM 602 N PHE A 38 -10.417 -5.030 9.743 1.00 0.00 N ATOM 603 CA PHE A 38 -11.253 -5.184 10.940 1.00 0.00 C ATOM 604 C PHE A 38 -12.317 -4.083 11.025 1.00 0.00 C ATOM 605 O PHE A 38 -12.137 -2.983 10.481 1.00 0.00 O ATOM 606 CB PHE A 38 -10.369 -5.205 12.217 1.00 0.00 C ATOM 607 CG PHE A 38 -9.595 -3.916 12.507 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.459 -3.584 11.770 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.002 -3.040 13.518 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.755 -2.425 12.032 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.295 -1.881 13.778 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.173 -1.572 13.033 1.00 0.00 C ATOM 0 H PHE A 38 -10.251 -4.059 9.477 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.777 -6.137 10.867 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.005 -5.426 13.074 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.655 -6.024 12.130 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.125 -4.243 10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.880 -3.272 14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.876 -2.186 11.452 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.620 -1.216 14.565 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.624 -0.664 13.234 1.00 0.00 H new ATOM 622 N LEU A 39 -13.423 -4.401 11.718 1.00 0.00 N ATOM 623 CA LEU A 39 -14.544 -3.485 11.950 1.00 0.00 C ATOM 624 C LEU A 39 -14.726 -3.324 13.471 1.00 0.00 C ATOM 625 O LEU A 39 -14.644 -4.307 14.217 1.00 0.00 O ATOM 626 CB LEU A 39 -15.836 -4.024 11.246 1.00 0.00 C ATOM 627 CG LEU A 39 -16.942 -2.975 10.860 1.00 0.00 C ATOM 628 CD1 LEU A 39 -17.756 -2.508 12.075 1.00 0.00 C ATOM 629 CD2 LEU A 39 -16.325 -1.772 10.116 1.00 0.00 C ATOM 0 H LEU A 39 -13.562 -5.320 12.139 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.342 -2.504 11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.532 -4.543 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.291 -4.767 11.901 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.636 -3.480 10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.506 -1.785 11.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.251 -3.365 12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.090 -2.042 12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.110 -1.061 9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.590 -1.286 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.838 -2.119 9.204 1.00 0.00 H new ATOM 641 N HIS A 40 -14.965 -2.075 13.907 1.00 0.00 N ATOM 642 CA HIS A 40 -15.033 -1.707 15.334 1.00 0.00 C ATOM 643 C HIS A 40 -16.419 -2.009 15.966 1.00 0.00 C ATOM 644 O HIS A 40 -16.480 -2.685 16.995 1.00 0.00 O ATOM 645 CB HIS A 40 -14.619 -0.212 15.519 1.00 0.00 C ATOM 646 CG HIS A 40 -15.439 0.838 14.775 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.500 2.156 15.183 1.00 0.00 N ATOM 648 CD2 HIS A 40 -16.154 0.793 13.613 1.00 0.00 C ATOM 649 CE1 HIS A 40 -16.205 2.859 14.320 1.00 0.00 C ATOM 650 NE2 HIS A 40 -16.613 2.059 13.358 1.00 0.00 N ATOM 0 H HIS A 40 -15.117 -1.288 13.277 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.323 -2.334 15.874 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.660 0.020 16.583 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.579 -0.109 15.210 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -16.327 -0.082 13.004 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.413 3.916 14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.178 2.336 12.555 1.00 0.00 H new ATOM 659 N TYR A 41 -17.506 -1.558 15.304 1.00 0.00 N ATOM 660 CA TYR A 41 -18.919 -1.671 15.774 1.00 0.00 C ATOM 661 C TYR A 41 -19.860 -1.337 14.597 1.00 0.00 C ATOM 662 O TYR A 41 -19.622 -0.359 13.885 1.00 0.00 O ATOM 663 CB TYR A 41 -19.234 -0.734 16.999 1.00 0.00 C ATOM 664 CG TYR A 41 -18.905 -1.342 18.378 1.00 0.00 C ATOM 665 CD1 TYR A 41 -19.643 -2.422 18.873 1.00 0.00 C ATOM 666 CD2 TYR A 41 -17.849 -0.866 19.166 1.00 0.00 C ATOM 667 CE1 TYR A 41 -19.349 -2.994 20.099 1.00 0.00 C ATOM 668 CE2 TYR A 41 -17.550 -1.446 20.390 1.00 0.00 C ATOM 669 CZ TYR A 41 -18.300 -2.508 20.850 1.00 0.00 C ATOM 670 OH TYR A 41 -17.995 -3.097 22.061 1.00 0.00 O ATOM 0 H TYR A 41 -17.431 -1.090 14.401 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.076 -2.693 16.118 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.673 0.193 16.883 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -20.292 -0.472 16.976 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -20.459 -2.818 18.287 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.258 -0.033 18.815 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -19.940 -3.820 20.466 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.731 -1.066 20.982 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.229 -2.638 22.465 1.00 0.00 H new ATOM 743 N LYS A 46 -23.305 -2.516 6.940 1.00 0.00 N ATOM 744 CA LYS A 46 -22.772 -3.886 6.728 1.00 0.00 C ATOM 745 C LYS A 46 -21.357 -3.881 6.098 1.00 0.00 C ATOM 746 O LYS A 46 -21.163 -4.272 4.945 1.00 0.00 O ATOM 747 CB LYS A 46 -23.800 -4.756 5.897 1.00 0.00 C ATOM 748 CG LYS A 46 -24.666 -4.009 4.843 1.00 0.00 C ATOM 749 CD LYS A 46 -23.900 -3.474 3.603 1.00 0.00 C ATOM 750 CE LYS A 46 -23.310 -4.592 2.719 1.00 0.00 C ATOM 751 NZ LYS A 46 -24.353 -5.494 2.161 1.00 0.00 N ATOM 0 HA LYS A 46 -22.654 -4.352 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.243 -5.540 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.472 -5.249 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.451 -4.683 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -25.159 -3.170 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -24.576 -2.865 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.094 -2.821 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -22.748 -4.143 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -22.604 -5.179 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -23.917 -6.151 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -24.794 -6.034 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.078 -4.928 1.676 1.00 0.00 H new ATOM 765 N THR A 47 -20.361 -3.439 6.867 1.00 0.00 N ATOM 766 CA THR A 47 -18.970 -3.360 6.379 1.00 0.00 C ATOM 767 C THR A 47 -18.186 -4.661 6.689 1.00 0.00 C ATOM 768 O THR A 47 -17.204 -4.981 6.004 1.00 0.00 O ATOM 769 CB THR A 47 -18.253 -2.118 6.995 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.090 -0.954 6.831 1.00 0.00 O ATOM 771 CG2 THR A 47 -16.879 -1.849 6.340 1.00 0.00 C ATOM 0 H THR A 47 -20.484 -3.129 7.831 1.00 0.00 H new ATOM 0 HA THR A 47 -18.997 -3.246 5.295 1.00 0.00 H new ATOM 0 HB THR A 47 -18.082 -2.328 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.643 -0.173 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.420 -0.975 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.233 -2.716 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.014 -1.666 5.274 1.00 0.00 H new ATOM 779 N VAL A 48 -18.637 -5.428 7.701 1.00 0.00 N ATOM 780 CA VAL A 48 -17.919 -6.642 8.150 1.00 0.00 C ATOM 781 C VAL A 48 -18.445 -7.914 7.438 1.00 0.00 C ATOM 782 O VAL A 48 -19.598 -7.953 7.003 1.00 0.00 O ATOM 783 CB VAL A 48 -17.998 -6.800 9.717 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.377 -7.279 10.209 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.891 -7.719 10.236 1.00 0.00 C ATOM 0 H VAL A 48 -19.491 -5.231 8.222 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.872 -6.521 7.873 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.849 -5.802 10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.365 -7.367 11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.140 -6.559 9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.603 -8.250 9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.971 -7.809 11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.993 -8.704 9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.919 -7.299 9.977 1.00 0.00 H new ATOM 795 N THR A 49 -17.568 -8.932 7.295 1.00 0.00 N ATOM 796 CA THR A 49 -17.931 -10.244 6.708 1.00 0.00 C ATOM 797 C THR A 49 -17.837 -11.374 7.758 1.00 0.00 C ATOM 798 O THR A 49 -18.508 -12.403 7.627 1.00 0.00 O ATOM 799 CB THR A 49 -17.036 -10.582 5.462 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.419 -11.842 4.886 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.544 -10.622 5.810 1.00 0.00 C ATOM 0 H THR A 49 -16.591 -8.869 7.582 1.00 0.00 H new ATOM 0 HA THR A 49 -18.966 -10.171 6.374 1.00 0.00 H new ATOM 0 HB THR A 49 -17.196 -9.781 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.851 -12.033 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.968 -10.860 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.234 -9.650 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.368 -11.385 6.568 1.00 0.00 H new ATOM 809 N HIS A 50 -16.994 -11.175 8.796 1.00 0.00 N ATOM 810 CA HIS A 50 -16.807 -12.154 9.891 1.00 0.00 C ATOM 811 C HIS A 50 -16.977 -11.458 11.240 1.00 0.00 C ATOM 812 O HIS A 50 -16.290 -10.485 11.528 1.00 0.00 O ATOM 813 CB HIS A 50 -15.397 -12.820 9.840 1.00 0.00 C ATOM 814 CG HIS A 50 -15.230 -13.891 8.793 1.00 0.00 C ATOM 815 ND1 HIS A 50 -15.389 -15.235 9.064 1.00 0.00 N ATOM 816 CD2 HIS A 50 -14.905 -13.818 7.484 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.162 -15.932 7.972 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.871 -15.098 7.000 1.00 0.00 N ATOM 0 H HIS A 50 -16.426 -10.334 8.898 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.559 -12.933 9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.652 -12.044 9.664 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.182 -13.253 10.817 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.708 -12.916 6.923 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.207 -17.008 7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.654 -15.362 6.039 1.00 0.00 H new ATOM 827 N ILE A 51 -17.870 -11.993 12.071 1.00 0.00 N ATOM 828 CA ILE A 51 -18.072 -11.533 13.450 1.00 0.00 C ATOM 829 C ILE A 51 -17.467 -12.570 14.392 1.00 0.00 C ATOM 830 O ILE A 51 -17.564 -13.759 14.146 1.00 0.00 O ATOM 831 CB ILE A 51 -19.598 -11.282 13.744 1.00 0.00 C ATOM 832 CG1 ILE A 51 -20.098 -10.077 12.868 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.880 -11.062 15.258 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.528 -9.643 13.114 1.00 0.00 C ATOM 0 H ILE A 51 -18.481 -12.766 11.806 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.573 -10.577 13.606 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.159 -12.176 13.471 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.442 -9.225 13.045 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.994 -10.346 11.817 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.946 -10.893 15.409 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.570 -11.944 15.818 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.322 -10.194 15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.772 -8.806 12.459 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -22.201 -10.475 12.906 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.641 -9.335 14.154 1.00 0.00 H new ATOM 846 N VAL A 52 -16.785 -12.101 15.431 1.00 0.00 N ATOM 847 CA VAL A 52 -16.087 -12.950 16.402 1.00 0.00 C ATOM 848 C VAL A 52 -16.710 -12.741 17.773 1.00 0.00 C ATOM 849 O VAL A 52 -16.726 -11.634 18.285 1.00 0.00 O ATOM 850 CB VAL A 52 -14.551 -12.623 16.424 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.804 -13.324 17.587 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.920 -12.981 15.063 1.00 0.00 C ATOM 0 H VAL A 52 -16.697 -11.104 15.630 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.191 -13.996 16.115 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.447 -11.552 16.599 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.747 -13.061 17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.227 -13.000 18.538 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.913 -14.404 17.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.855 -12.752 15.084 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.059 -14.044 14.866 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.400 -12.400 14.275 1.00 0.00 H new ATOM 862 N ALA A 53 -17.233 -13.815 18.353 1.00 0.00 N ATOM 863 CA ALA A 53 -17.844 -13.794 19.681 1.00 0.00 C ATOM 864 C ALA A 53 -17.443 -15.052 20.450 1.00 0.00 C ATOM 865 O ALA A 53 -16.980 -16.038 19.860 1.00 0.00 O ATOM 866 CB ALA A 53 -19.375 -13.680 19.552 1.00 0.00 C ATOM 0 H ALA A 53 -17.246 -14.735 17.912 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.488 -12.926 20.236 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.824 -13.665 20.545 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.628 -12.760 19.025 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.758 -14.534 18.994 1.00 0.00 H new ATOM 872 N SER A 54 -17.560 -14.986 21.777 1.00 0.00 N ATOM 873 CA SER A 54 -17.464 -16.166 22.634 1.00 0.00 C ATOM 874 C SER A 54 -18.852 -16.822 22.680 1.00 0.00 C ATOM 875 O SER A 54 -18.998 -18.034 22.492 1.00 0.00 O ATOM 876 CB SER A 54 -16.978 -15.767 24.047 1.00 0.00 C ATOM 877 OG SER A 54 -16.754 -16.905 24.865 1.00 0.00 O ATOM 0 H SER A 54 -17.723 -14.117 22.285 1.00 0.00 H new ATOM 0 HA SER A 54 -16.737 -16.874 22.237 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.057 -15.190 23.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.719 -15.120 24.518 1.00 0.00 H new ATOM 0 HG SER A 54 -16.446 -16.617 25.750 1.00 0.00 H new ATOM 883 N ASN A 55 -19.873 -15.966 22.891 1.00 0.00 N ATOM 884 CA ASN A 55 -21.299 -16.333 22.855 1.00 0.00 C ATOM 885 C ASN A 55 -22.087 -15.208 22.159 1.00 0.00 C ATOM 886 O ASN A 55 -21.998 -14.042 22.568 1.00 0.00 O ATOM 887 CB ASN A 55 -21.858 -16.564 24.295 1.00 0.00 C ATOM 888 CG ASN A 55 -21.394 -17.876 24.946 1.00 0.00 C ATOM 889 OD1 ASN A 55 -21.212 -18.893 24.274 1.00 0.00 O ATOM 890 ND2 ASN A 55 -21.223 -17.867 26.261 1.00 0.00 N ATOM 0 H ASN A 55 -19.723 -14.978 23.096 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.409 -17.265 22.301 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -21.556 -15.730 24.928 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -22.947 -16.556 24.256 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -20.933 -18.718 26.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.381 -17.009 26.790 1.00 0.00 H new ATOM 897 N LEU A 56 -22.833 -15.558 21.100 1.00 0.00 N ATOM 898 CA LEU A 56 -23.739 -14.625 20.399 1.00 0.00 C ATOM 899 C LEU A 56 -25.202 -14.999 20.739 1.00 0.00 C ATOM 900 O LEU A 56 -25.558 -16.177 20.614 1.00 0.00 O ATOM 901 CB LEU A 56 -23.506 -14.685 18.859 1.00 0.00 C ATOM 902 CG LEU A 56 -24.302 -13.632 18.014 1.00 0.00 C ATOM 903 CD1 LEU A 56 -23.839 -12.190 18.315 1.00 0.00 C ATOM 904 CD2 LEU A 56 -24.214 -13.925 16.506 1.00 0.00 C ATOM 0 H LEU A 56 -22.827 -16.497 20.702 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.535 -13.606 20.728 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.442 -14.551 18.665 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.771 -15.682 18.508 1.00 0.00 H new ATOM 0 HG LEU A 56 -25.347 -13.719 18.311 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.414 -11.489 17.710 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.995 -11.971 19.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -22.780 -12.091 18.077 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.779 -13.173 15.956 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.171 -13.899 16.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.630 -14.912 16.302 1.00 0.00 H new ATOM 916 N PRO A 57 -26.059 -14.021 21.199 1.00 0.00 N ATOM 917 CA PRO A 57 -27.502 -14.268 21.499 1.00 0.00 C ATOM 918 C PRO A 57 -28.279 -14.824 20.287 1.00 0.00 C ATOM 919 O PRO A 57 -27.904 -14.556 19.150 1.00 0.00 O ATOM 920 CB PRO A 57 -28.031 -12.866 21.913 1.00 0.00 C ATOM 921 CG PRO A 57 -26.808 -12.156 22.407 1.00 0.00 C ATOM 922 CD PRO A 57 -25.695 -12.610 21.496 1.00 0.00 C ATOM 0 HA PRO A 57 -27.633 -15.026 22.271 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.484 -12.344 21.070 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -28.793 -12.939 22.689 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -26.936 -11.074 22.364 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -26.596 -12.411 23.445 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.644 -12.007 20.589 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.722 -12.538 21.981 1.00 0.00 H new ATOM 930 N LEU A 58 -29.369 -15.572 20.558 1.00 0.00 N ATOM 931 CA LEU A 58 -30.202 -16.219 19.517 1.00 0.00 C ATOM 932 C LEU A 58 -30.787 -15.176 18.541 1.00 0.00 C ATOM 933 O LEU A 58 -30.729 -15.352 17.325 1.00 0.00 O ATOM 934 CB LEU A 58 -31.356 -17.026 20.185 1.00 0.00 C ATOM 935 CG LEU A 58 -30.913 -18.206 21.110 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.130 -18.862 21.807 1.00 0.00 C ATOM 937 CD2 LEU A 58 -30.091 -19.251 20.317 1.00 0.00 C ATOM 0 H LEU A 58 -29.699 -15.746 21.507 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.566 -16.897 18.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.963 -16.337 20.772 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.997 -17.426 19.399 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.271 -17.796 21.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.788 -19.679 22.443 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.645 -18.119 22.416 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.815 -19.251 21.053 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.795 -20.062 20.982 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.698 -19.651 19.505 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.201 -18.777 19.904 1.00 0.00 H new ATOM 949 N LYS A 59 -31.303 -14.076 19.117 1.00 0.00 N ATOM 950 CA LYS A 59 -31.909 -12.953 18.371 1.00 0.00 C ATOM 951 C LYS A 59 -30.859 -12.304 17.436 1.00 0.00 C ATOM 952 O LYS A 59 -31.130 -12.053 16.252 1.00 0.00 O ATOM 953 CB LYS A 59 -32.495 -11.932 19.402 1.00 0.00 C ATOM 954 CG LYS A 59 -33.370 -10.771 18.837 1.00 0.00 C ATOM 955 CD LYS A 59 -32.562 -9.568 18.271 1.00 0.00 C ATOM 956 CE LYS A 59 -33.469 -8.423 17.795 1.00 0.00 C ATOM 957 NZ LYS A 59 -34.407 -8.871 16.735 1.00 0.00 N ATOM 0 H LYS A 59 -31.312 -13.938 20.128 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.720 -13.307 17.735 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -33.095 -12.487 20.123 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -31.663 -11.491 19.951 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -34.009 -11.166 18.047 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -34.027 -10.410 19.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -31.885 -9.195 19.039 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -31.945 -9.908 17.440 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.035 -8.031 18.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -32.855 -7.606 17.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -34.895 -8.046 16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -33.876 -9.360 15.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.108 -9.522 17.144 1.00 0.00 H new ATOM 971 N LYS A 60 -29.660 -12.050 17.989 1.00 0.00 N ATOM 972 CA LYS A 60 -28.532 -11.469 17.231 1.00 0.00 C ATOM 973 C LYS A 60 -27.944 -12.464 16.224 1.00 0.00 C ATOM 974 O LYS A 60 -27.352 -12.054 15.244 1.00 0.00 O ATOM 975 CB LYS A 60 -27.425 -10.946 18.189 1.00 0.00 C ATOM 976 CG LYS A 60 -27.764 -9.612 18.887 1.00 0.00 C ATOM 977 CD LYS A 60 -28.055 -8.484 17.868 1.00 0.00 C ATOM 978 CE LYS A 60 -28.348 -7.127 18.520 1.00 0.00 C ATOM 979 NZ LYS A 60 -28.689 -6.099 17.507 1.00 0.00 N ATOM 0 H LYS A 60 -29.444 -12.239 18.968 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.929 -10.625 16.667 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.234 -11.702 18.950 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.501 -10.822 17.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.631 -9.750 19.533 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.933 -9.317 19.528 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.200 -8.380 17.200 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.907 -8.773 17.252 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -29.172 -7.232 19.225 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -27.479 -6.802 19.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.274 -5.187 17.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -28.310 -6.384 16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -29.723 -6.004 17.443 1.00 0.00 H new ATOM 993 N ARG A 61 -28.115 -13.758 16.479 1.00 0.00 N ATOM 994 CA ARG A 61 -27.628 -14.826 15.585 1.00 0.00 C ATOM 995 C ARG A 61 -28.514 -14.906 14.319 1.00 0.00 C ATOM 996 O ARG A 61 -28.040 -15.265 13.235 1.00 0.00 O ATOM 997 CB ARG A 61 -27.612 -16.168 16.363 1.00 0.00 C ATOM 998 CG ARG A 61 -26.683 -17.250 15.787 1.00 0.00 C ATOM 999 CD ARG A 61 -26.710 -18.539 16.625 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.411 -18.306 18.058 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.561 -19.222 19.031 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.944 -20.462 18.746 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -26.309 -18.903 20.292 1.00 0.00 N ATOM 0 H ARG A 61 -28.594 -14.105 17.310 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.612 -14.606 15.256 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -27.316 -15.969 17.393 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -28.627 -16.563 16.394 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -26.982 -17.477 14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -25.663 -16.867 15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -27.692 -19.003 16.536 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -25.986 -19.245 16.219 1.00 0.00 H new ATOM 0 HE ARG A 61 -26.066 -17.384 18.325 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -27.128 -20.729 17.779 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -27.054 -21.147 19.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -26.000 -17.960 20.528 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -26.424 -19.601 21.027 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.804 -14.560 14.492 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.771 -14.415 13.385 1.00 0.00 C ATOM 1019 C ILE A 62 -30.439 -13.152 12.556 1.00 0.00 C ATOM 1020 O ILE A 62 -30.455 -13.181 11.319 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.247 -14.325 13.942 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.615 -15.612 14.759 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.277 -14.076 12.810 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.936 -15.540 15.520 1.00 0.00 C ATOM 0 H ILE A 62 -30.208 -14.372 15.410 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.698 -15.293 12.744 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.289 -13.467 14.614 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.654 -16.459 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.814 -15.813 15.471 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.279 -14.021 13.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -33.044 -13.138 12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.233 -14.894 12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.101 -16.477 16.053 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.900 -14.718 16.235 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.752 -15.374 14.817 1.00 0.00 H new ATOM 1036 N GLU A 63 -30.128 -12.057 13.268 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.777 -10.761 12.655 1.00 0.00 C ATOM 1038 C GLU A 63 -28.441 -10.862 11.884 1.00 0.00 C ATOM 1039 O GLU A 63 -28.285 -10.297 10.798 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.682 -9.673 13.755 1.00 0.00 C ATOM 1041 CG GLU A 63 -29.379 -8.249 13.239 1.00 0.00 C ATOM 1042 CD GLU A 63 -29.203 -7.224 14.374 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -30.213 -6.645 14.839 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -28.060 -7.001 14.813 1.00 0.00 O ATOM 0 H GLU A 63 -30.112 -12.043 14.288 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.557 -10.487 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -30.622 -9.651 14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.904 -9.960 14.463 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -28.473 -8.273 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -30.189 -7.925 12.586 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.495 -11.621 12.456 1.00 0.00 N ATOM 1052 CA PHE A 64 -26.139 -11.796 11.910 1.00 0.00 C ATOM 1053 C PHE A 64 -26.023 -13.136 11.154 1.00 0.00 C ATOM 1054 O PHE A 64 -24.926 -13.677 11.006 1.00 0.00 O ATOM 1055 CB PHE A 64 -25.073 -11.689 13.042 1.00 0.00 C ATOM 1056 CG PHE A 64 -25.001 -10.323 13.747 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -25.130 -9.130 13.029 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.771 -10.231 15.123 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -25.038 -7.902 13.662 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.683 -8.999 15.754 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.815 -7.836 15.023 1.00 0.00 C ATOM 0 H PHE A 64 -27.651 -12.137 13.322 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.949 -10.995 11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.281 -12.455 13.789 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -24.094 -11.914 12.619 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.304 -9.167 11.964 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.660 -11.134 15.704 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -25.141 -6.992 13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.511 -8.950 16.819 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.744 -6.877 15.514 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.169 -13.633 10.636 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.228 -14.881 9.845 1.00 0.00 C ATOM 1073 C ALA A 65 -26.484 -14.750 8.494 1.00 0.00 C ATOM 1074 O ALA A 65 -26.049 -15.752 7.925 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.695 -15.288 9.619 1.00 0.00 C ATOM 0 H ALA A 65 -28.076 -13.181 10.755 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.720 -15.660 10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.732 -16.208 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.180 -15.449 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.213 -14.495 9.079 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.359 -13.508 7.984 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.620 -13.218 6.730 1.00 0.00 C ATOM 1083 C ASN A 66 -24.104 -13.160 6.991 1.00 0.00 C ATOM 1084 O ASN A 66 -23.289 -13.447 6.099 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.102 -11.870 6.121 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.585 -11.866 5.724 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.151 -12.899 5.362 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.221 -10.704 5.778 1.00 0.00 N ATOM 0 H ASN A 66 -26.763 -12.681 8.423 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.821 -14.023 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.926 -11.072 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.499 -11.643 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.205 -10.649 5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.726 -9.865 6.082 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.747 -12.800 8.234 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.353 -12.627 8.666 1.00 0.00 C ATOM 1097 C TYR A 67 -21.802 -13.963 9.175 1.00 0.00 C ATOM 1098 O TYR A 67 -22.516 -14.737 9.833 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.271 -11.558 9.784 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.868 -10.188 9.403 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -24.238 -9.949 9.514 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -22.070 -9.129 8.965 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -24.786 -8.722 9.199 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -22.616 -7.895 8.656 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.973 -7.697 8.781 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.517 -6.469 8.483 1.00 0.00 O ATOM 0 H TYR A 67 -24.425 -12.619 8.974 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.755 -12.293 7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.789 -11.933 10.667 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.226 -11.420 10.062 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -24.886 -10.743 9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -21.005 -9.276 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -25.852 -8.568 9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -21.980 -7.090 8.318 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.017 -5.768 8.950 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.529 -14.230 8.864 1.00 0.00 N ATOM 1117 CA LYS A 68 -19.850 -15.469 9.263 1.00 0.00 C ATOM 1118 C LYS A 68 -19.337 -15.317 10.700 1.00 0.00 C ATOM 1119 O LYS A 68 -18.197 -14.892 10.937 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.695 -15.806 8.267 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.144 -16.349 6.885 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.055 -15.386 6.086 1.00 0.00 C ATOM 1123 CE LYS A 68 -20.601 -16.014 4.796 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.581 -15.120 4.124 1.00 0.00 N ATOM 0 H LYS A 68 -19.939 -13.593 8.328 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.551 -16.303 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.101 -14.906 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.040 -16.543 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.258 -16.570 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.672 -17.291 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.890 -15.077 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.494 -14.486 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.776 -16.226 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.076 -16.967 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.236 -15.690 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.118 -14.592 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.076 -14.452 3.508 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.230 -15.619 11.652 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.922 -15.554 13.081 1.00 0.00 C ATOM 1140 C VAL A 69 -19.109 -16.791 13.480 1.00 0.00 C ATOM 1141 O VAL A 69 -19.506 -17.915 13.171 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.226 -15.446 13.954 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.880 -15.264 15.462 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.136 -14.298 13.438 1.00 0.00 C ATOM 0 H VAL A 69 -21.185 -15.915 11.450 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.336 -14.654 13.267 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.778 -16.381 13.858 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.801 -15.192 16.041 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.300 -16.119 15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.297 -14.353 15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.033 -14.239 14.055 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.596 -13.353 13.493 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.419 -14.495 12.404 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.973 -16.561 14.150 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.003 -17.591 14.547 1.00 0.00 C ATOM 1156 C VAL A 70 -16.480 -17.285 15.964 1.00 0.00 C ATOM 1157 O VAL A 70 -16.824 -16.255 16.555 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.777 -17.676 13.537 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.228 -18.103 12.121 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.988 -16.339 13.481 1.00 0.00 C ATOM 0 H VAL A 70 -17.694 -15.624 14.440 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.515 -18.553 14.531 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.107 -18.446 13.920 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.361 -18.149 11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.699 -19.085 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.942 -17.377 11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.158 -16.435 12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.651 -15.539 13.151 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.601 -16.103 14.472 1.00 0.00 H new ATOM 1170 N SER A 71 -15.672 -18.205 16.501 1.00 0.00 N ATOM 1171 CA SER A 71 -14.947 -18.004 17.762 1.00 0.00 C ATOM 1172 C SER A 71 -13.579 -17.322 17.496 1.00 0.00 C ATOM 1173 O SER A 71 -13.077 -17.377 16.361 1.00 0.00 O ATOM 1174 CB SER A 71 -14.759 -19.373 18.465 1.00 0.00 C ATOM 1175 OG SER A 71 -16.006 -19.956 18.813 1.00 0.00 O ATOM 0 H SER A 71 -15.501 -19.114 16.072 1.00 0.00 H new ATOM 0 HA SER A 71 -15.523 -17.348 18.414 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.211 -20.048 17.808 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.154 -19.242 19.363 1.00 0.00 H new ATOM 0 HG SER A 71 -15.853 -20.818 19.253 1.00 0.00 H new ATOM 1181 N PRO A 72 -12.938 -16.672 18.538 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.558 -16.101 18.416 1.00 0.00 C ATOM 1183 C PRO A 72 -10.511 -17.166 18.036 1.00 0.00 C ATOM 1184 O PRO A 72 -9.473 -16.845 17.469 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.279 -15.527 19.837 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.251 -16.232 20.728 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.492 -16.415 19.897 1.00 0.00 C ATOM 0 HA PRO A 72 -11.492 -15.355 17.624 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.251 -15.715 20.145 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.428 -14.448 19.864 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.855 -17.192 21.060 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.460 -15.646 21.623 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.098 -17.248 20.252 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.126 -15.529 19.915 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.839 -18.431 18.340 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.999 -19.610 18.069 1.00 0.00 C ATOM 1197 C ASP A 73 -9.709 -19.784 16.564 1.00 0.00 C ATOM 1198 O ASP A 73 -8.713 -20.417 16.205 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.700 -20.871 18.618 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.012 -20.776 20.122 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.020 -20.119 20.486 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.259 -21.339 20.947 1.00 0.00 O ATOM 0 H ASP A 73 -11.721 -18.670 18.794 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.041 -19.462 18.568 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.628 -21.033 18.069 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.067 -21.740 18.438 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.596 -19.233 15.692 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.341 -19.177 14.236 1.00 0.00 C ATOM 1209 C TRP A 74 -9.094 -18.329 13.964 1.00 0.00 C ATOM 1210 O TRP A 74 -8.169 -18.770 13.285 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.556 -18.609 13.438 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.294 -18.505 11.937 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -10.816 -19.498 11.121 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.479 -17.360 11.086 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.682 -19.036 9.842 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.090 -17.736 9.786 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.938 -16.054 11.296 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.139 -16.859 8.706 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.995 -15.184 10.224 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.594 -15.588 8.940 1.00 0.00 C ATOM 0 H TRP A 74 -11.487 -18.825 15.975 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.182 -20.199 13.893 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.423 -19.248 13.606 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.808 -17.622 13.826 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.579 -20.501 11.443 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.332 -19.579 9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.243 -15.732 12.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.829 -17.169 7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.354 -14.177 10.376 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.645 -14.884 8.122 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.089 -17.128 14.552 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.022 -16.136 14.361 1.00 0.00 C ATOM 1233 C ILE A 75 -6.714 -16.694 14.945 1.00 0.00 C ATOM 1234 O ILE A 75 -5.716 -16.799 14.237 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.368 -14.732 15.021 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.607 -14.053 14.333 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.146 -13.777 14.987 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.945 -14.720 14.589 1.00 0.00 C ATOM 0 H ILE A 75 -9.830 -16.813 15.179 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.914 -15.957 13.291 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.626 -14.928 16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.666 -13.018 14.671 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.434 -14.027 13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.415 -12.825 15.446 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.319 -14.225 15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.844 -13.609 13.953 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.730 -14.172 14.069 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.916 -15.746 14.223 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.152 -14.722 15.659 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.793 -17.135 16.212 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.643 -17.620 16.994 1.00 0.00 C ATOM 1252 C VAL A 76 -4.917 -18.774 16.276 1.00 0.00 C ATOM 1253 O VAL A 76 -3.723 -18.669 15.984 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.121 -18.088 18.426 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.986 -18.768 19.238 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.725 -16.900 19.213 1.00 0.00 C ATOM 0 H VAL A 76 -7.671 -17.165 16.730 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.938 -16.795 17.099 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.895 -18.841 18.275 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.367 -19.070 20.213 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.629 -19.646 18.700 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.163 -18.066 19.372 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.048 -17.242 20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.972 -16.120 19.329 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.580 -16.500 18.668 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.675 -19.826 15.920 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.098 -21.073 15.374 1.00 0.00 C ATOM 1268 C ASP A 77 -4.595 -20.872 13.932 1.00 0.00 C ATOM 1269 O ASP A 77 -3.560 -21.421 13.556 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.117 -22.249 15.468 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.470 -23.649 15.350 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -4.416 -23.889 15.988 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.041 -24.537 14.680 1.00 0.00 O ATOM 0 H ASP A 77 -6.692 -19.840 16.000 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.234 -21.337 15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.646 -22.183 16.418 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.861 -22.136 14.680 1.00 0.00 H new ATOM 1278 N SER A 78 -5.334 -20.066 13.134 1.00 0.00 N ATOM 1279 CA SER A 78 -4.928 -19.721 11.747 1.00 0.00 C ATOM 1280 C SER A 78 -3.616 -18.917 11.734 1.00 0.00 C ATOM 1281 O SER A 78 -2.792 -19.088 10.843 1.00 0.00 O ATOM 1282 CB SER A 78 -6.038 -18.926 11.021 1.00 0.00 C ATOM 1283 OG SER A 78 -7.207 -19.708 10.828 1.00 0.00 O ATOM 0 H SER A 78 -6.215 -19.642 13.425 1.00 0.00 H new ATOM 0 HA SER A 78 -4.767 -20.659 11.216 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.287 -18.037 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.667 -18.583 10.055 1.00 0.00 H new ATOM 0 HG SER A 78 -7.823 -19.566 11.577 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.454 -18.025 12.723 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.240 -17.203 12.900 1.00 0.00 C ATOM 1291 C VAL A 79 -1.051 -18.048 13.406 1.00 0.00 C ATOM 1292 O VAL A 79 0.098 -17.827 12.989 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.559 -15.986 13.854 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.292 -15.260 14.366 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.501 -14.992 13.135 1.00 0.00 C ATOM 0 H VAL A 79 -4.167 -17.850 13.431 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.937 -16.806 11.931 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.051 -16.394 14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.583 -14.435 15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.672 -15.961 14.925 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.727 -14.872 13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.719 -14.154 13.797 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.019 -14.624 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.430 -15.497 12.871 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.337 -19.028 14.287 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.311 -19.962 14.809 1.00 0.00 C ATOM 1307 C LYS A 80 0.232 -20.857 13.680 1.00 0.00 C ATOM 1308 O LYS A 80 1.437 -21.098 13.592 1.00 0.00 O ATOM 1309 CB LYS A 80 -0.872 -20.829 15.976 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.170 -20.042 17.276 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.617 -20.950 18.448 1.00 0.00 C ATOM 1312 CE LYS A 80 -0.518 -21.934 18.901 1.00 0.00 C ATOM 1313 NZ LYS A 80 -0.924 -22.723 20.092 1.00 0.00 N ATOM 0 H LYS A 80 -2.273 -19.196 14.655 1.00 0.00 H new ATOM 0 HA LYS A 80 0.511 -19.365 15.205 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.789 -21.315 15.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.156 -21.619 16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.278 -19.490 17.572 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.949 -19.306 17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.909 -20.326 19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.500 -21.514 18.147 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.281 -22.613 18.082 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.392 -21.379 19.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.154 -23.369 20.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.125 -22.079 20.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.777 -23.274 19.869 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.676 -21.320 12.810 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.347 -22.193 11.669 1.00 0.00 C ATOM 1329 C GLU A 81 -0.007 -21.380 10.401 1.00 0.00 C ATOM 1330 O GLU A 81 0.453 -21.958 9.409 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.536 -23.157 11.402 1.00 0.00 C ATOM 1332 CG GLU A 81 -1.889 -24.084 12.584 1.00 0.00 C ATOM 1333 CD GLU A 81 -0.726 -25.001 13.001 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -0.588 -26.107 12.429 1.00 0.00 O ATOM 1335 OE2 GLU A 81 0.070 -24.619 13.894 1.00 0.00 O ATOM 0 H GLU A 81 -1.669 -21.098 12.877 1.00 0.00 H new ATOM 0 HA GLU A 81 0.542 -22.770 11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.415 -22.566 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.300 -23.772 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.188 -23.476 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.748 -24.698 12.313 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.266 -20.048 10.450 1.00 0.00 N ATOM 1343 CA ALA A 82 0.007 -19.087 9.345 1.00 0.00 C ATOM 1344 C ALA A 82 -0.673 -19.513 8.014 1.00 0.00 C ATOM 1345 O ALA A 82 -0.123 -19.306 6.923 1.00 0.00 O ATOM 1346 CB ALA A 82 1.525 -18.875 9.192 1.00 0.00 C ATOM 0 H ALA A 82 -0.677 -19.603 11.270 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.440 -18.128 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.714 -18.171 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.932 -18.477 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.004 -19.827 8.965 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.898 -20.065 8.125 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.668 -20.601 6.978 1.00 0.00 C ATOM 1354 C ARG A 83 -4.182 -20.382 7.207 1.00 0.00 C ATOM 1355 O ARG A 83 -4.626 -20.258 8.352 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.348 -22.112 6.800 1.00 0.00 C ATOM 1357 CG ARG A 83 -2.860 -23.008 7.949 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.323 -24.446 7.898 1.00 0.00 C ATOM 1359 NE ARG A 83 -0.874 -24.515 8.183 1.00 0.00 N ATOM 1360 CZ ARG A 83 -0.131 -25.623 8.114 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -0.653 -26.772 7.702 1.00 0.00 N ATOM 1362 NH2 ARG A 83 1.142 -25.577 8.459 1.00 0.00 N ATOM 0 H ARG A 83 -2.386 -20.153 9.016 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.383 -20.073 6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.786 -22.457 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.269 -22.235 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.579 -22.558 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.949 -23.035 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.863 -25.059 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.518 -24.869 6.913 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.406 -23.650 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.636 -26.818 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.071 -27.609 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.553 -24.699 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.715 -26.419 8.409 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.960 -20.331 6.111 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.417 -20.103 6.159 1.00 0.00 C ATOM 1378 C LEU A 84 -7.128 -21.403 6.561 1.00 0.00 C ATOM 1379 O LEU A 84 -7.368 -22.286 5.728 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.938 -19.568 4.787 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.487 -19.344 4.662 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.015 -18.328 5.702 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.882 -18.927 3.222 1.00 0.00 C ATOM 0 H LEU A 84 -4.596 -20.447 5.165 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.637 -19.343 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.439 -18.622 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.631 -20.268 4.010 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.964 -20.300 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.091 -18.205 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.806 -18.694 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.521 -17.367 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.961 -18.780 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.376 -17.998 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.588 -19.710 2.523 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.396 -21.532 7.866 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.106 -22.686 8.428 1.00 0.00 C ATOM 1397 C LEU A 85 -9.630 -22.520 8.270 1.00 0.00 C ATOM 1398 O LEU A 85 -10.121 -21.381 8.201 1.00 0.00 O ATOM 1399 CB LEU A 85 -7.700 -22.882 9.911 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.212 -23.296 10.130 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -5.878 -23.421 11.624 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -5.882 -24.605 9.372 1.00 0.00 C ATOM 0 H LEU A 85 -7.126 -20.838 8.563 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.822 -23.583 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.888 -21.954 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.343 -23.643 10.352 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.585 -22.504 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.834 -23.711 11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.046 -22.463 12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.517 -24.178 12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.839 -24.871 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.524 -25.407 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.050 -24.460 8.305 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.400 -23.655 8.173 1.00 0.00 N ATOM 1415 CA PRO A 86 -11.867 -23.614 8.007 1.00 0.00 C ATOM 1416 C PRO A 86 -12.581 -22.909 9.184 1.00 0.00 C ATOM 1417 O PRO A 86 -12.611 -23.420 10.306 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.268 -25.115 7.889 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.138 -25.865 8.516 1.00 0.00 C ATOM 1420 CD PRO A 86 -9.902 -25.068 8.198 1.00 0.00 C ATOM 0 HA PRO A 86 -12.166 -23.030 7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.208 -25.314 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.406 -25.406 6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.279 -25.959 9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.067 -26.876 8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.128 -25.208 8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.471 -25.360 7.240 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.137 -21.714 8.892 1.00 0.00 N ATOM 1429 CA TRP A 87 -13.964 -20.938 9.836 1.00 0.00 C ATOM 1430 C TRP A 87 -15.258 -21.694 10.197 1.00 0.00 C ATOM 1431 O TRP A 87 -15.870 -21.423 11.227 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.280 -19.528 9.247 1.00 0.00 C ATOM 1433 CG TRP A 87 -14.890 -19.527 7.860 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -14.226 -19.359 6.675 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -16.279 -19.689 7.515 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -15.109 -19.418 5.627 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -16.371 -19.619 6.117 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -17.448 -19.892 8.256 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -17.582 -19.747 5.439 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -18.648 -20.018 7.588 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -18.708 -19.944 6.191 1.00 0.00 C ATOM 0 H TRP A 87 -13.023 -21.258 7.987 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.397 -20.805 10.758 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -14.960 -19.013 9.925 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.357 -18.948 9.220 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -13.162 -19.203 6.579 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -14.864 -19.327 4.641 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -17.411 -19.949 9.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.630 -19.693 4.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -19.556 -20.176 8.151 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -19.663 -20.045 5.697 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.659 -22.632 9.312 1.00 0.00 N ATOM 1453 CA GLN A 88 -16.826 -23.518 9.509 1.00 0.00 C ATOM 1454 C GLN A 88 -16.631 -24.446 10.730 1.00 0.00 C ATOM 1455 O GLN A 88 -17.606 -24.920 11.308 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.082 -24.345 8.214 1.00 0.00 C ATOM 1457 CG GLN A 88 -15.943 -25.317 7.834 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.113 -25.977 6.463 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -15.652 -25.451 5.451 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.773 -27.125 6.419 1.00 0.00 N ATOM 0 H GLN A 88 -15.175 -22.797 8.429 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.700 -22.899 9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.002 -24.916 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.245 -23.656 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -14.998 -24.775 7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.876 -26.096 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.142 -27.534 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.912 -27.600 5.527 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.357 -24.704 11.106 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.010 -25.500 12.307 1.00 0.00 C ATOM 1471 C ASN A 89 -15.080 -24.648 13.590 1.00 0.00 C ATOM 1472 O ASN A 89 -14.913 -25.177 14.697 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.597 -26.138 12.171 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.491 -27.189 11.065 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.126 -27.083 10.022 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.687 -28.223 11.290 1.00 0.00 N ATOM 0 H ASN A 89 -14.544 -24.368 10.589 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.748 -26.298 12.384 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.871 -25.349 11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.324 -26.597 13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.587 -28.954 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.170 -28.286 12.167 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.309 -23.330 13.437 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.392 -22.378 14.567 1.00 0.00 C ATOM 1485 C TYR A 90 -16.704 -21.563 14.506 1.00 0.00 C ATOM 1486 O TYR A 90 -16.944 -20.709 15.370 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.167 -21.415 14.538 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.801 -22.126 14.499 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.210 -22.626 15.663 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.108 -22.300 13.296 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -10.982 -23.268 15.627 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.880 -22.940 13.258 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.322 -23.420 14.426 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.098 -24.057 14.392 1.00 0.00 O ATOM 0 H TYR A 90 -15.442 -22.892 12.526 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.384 -22.946 15.497 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.251 -20.766 13.666 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.204 -20.773 15.418 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.720 -22.510 16.608 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.539 -21.928 12.378 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.543 -23.648 16.538 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.361 -23.063 12.319 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.768 -24.082 13.470 1.00 0.00 H new ATOM 1504 N SER A 91 -17.549 -21.852 13.496 1.00 0.00 N ATOM 1505 CA SER A 91 -18.740 -21.040 13.173 1.00 0.00 C ATOM 1506 C SER A 91 -19.831 -21.136 14.264 1.00 0.00 C ATOM 1507 O SER A 91 -20.423 -22.199 14.481 1.00 0.00 O ATOM 1508 CB SER A 91 -19.301 -21.452 11.786 1.00 0.00 C ATOM 1509 OG SER A 91 -19.597 -22.840 11.723 1.00 0.00 O ATOM 0 H SER A 91 -17.425 -22.656 12.881 1.00 0.00 H new ATOM 0 HA SER A 91 -18.429 -19.996 13.137 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.204 -20.879 11.575 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.576 -21.200 11.012 1.00 0.00 H new ATOM 0 HG SER A 91 -18.768 -23.346 11.591 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.076 -20.001 14.952 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.165 -19.852 15.940 1.00 0.00 C ATOM 1517 C LEU A 92 -22.470 -19.358 15.268 1.00 0.00 C ATOM 1518 O LEU A 92 -23.364 -18.827 15.938 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.714 -18.871 17.056 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.459 -19.302 17.877 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.103 -18.241 18.938 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.653 -20.699 18.521 1.00 0.00 C ATOM 0 H LEU A 92 -19.518 -19.155 14.836 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.377 -20.827 16.380 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.511 -17.902 16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.545 -18.730 17.747 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.621 -19.378 17.184 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.225 -18.565 19.497 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -18.890 -17.292 18.446 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.942 -18.115 19.622 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.760 -20.967 19.085 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.512 -20.674 19.192 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.824 -21.439 17.740 1.00 0.00 H new ATOM 1534 N THR A 93 -22.560 -19.551 13.938 1.00 0.00 N ATOM 1535 CA THR A 93 -23.747 -19.223 13.134 1.00 0.00 C ATOM 1536 C THR A 93 -24.936 -20.154 13.470 1.00 0.00 C ATOM 1537 O THR A 93 -26.097 -19.757 13.334 1.00 0.00 O ATOM 1538 CB THR A 93 -23.397 -19.302 11.609 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.750 -20.553 11.319 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.480 -18.147 11.167 1.00 0.00 C ATOM 0 H THR A 93 -21.798 -19.945 13.387 1.00 0.00 H new ATOM 0 HA THR A 93 -24.052 -18.205 13.378 1.00 0.00 H new ATOM 0 HB THR A 93 -24.334 -19.223 11.057 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.535 -20.597 10.364 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.263 -18.241 10.103 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.978 -17.195 11.353 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.549 -18.185 11.732 1.00 0.00 H new ATOM 1548 N SER A 94 -24.631 -21.388 13.924 1.00 0.00 N ATOM 1549 CA SER A 94 -25.651 -22.371 14.352 1.00 0.00 C ATOM 1550 C SER A 94 -26.120 -22.052 15.796 1.00 0.00 C ATOM 1551 O SER A 94 -25.254 -21.958 16.691 1.00 0.00 O ATOM 1552 CB SER A 94 -25.087 -23.811 14.268 1.00 0.00 C ATOM 1553 OG SER A 94 -26.060 -24.788 14.635 1.00 0.00 O ATOM 1554 OXT SER A 94 -27.344 -21.928 16.038 1.00 0.00 O ATOM 0 H SER A 94 -23.674 -21.731 14.004 1.00 0.00 H new ATOM 0 HA SER A 94 -26.508 -22.303 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.742 -24.007 13.253 1.00 0.00 H new ATOM 0 HB3 SER A 94 -24.220 -23.899 14.922 1.00 0.00 H new ATOM 0 HG SER A 94 -25.667 -25.683 14.568 1.00 0.00 H new