USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 995 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 12 SER OG : rot -164:sc= -3.35! USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.00448 USER MOD Set 2.2: A 75 ASN : amide:sc= 0.293 X(o=0.3,f=0.04) USER MOD Set 3.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 50:sc= -2.35 USER MOD Single : A 13 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5!) USER MOD Single : A 16 HIS : no HD1:sc= -2.35 K(o=-2.3,f=-3.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -154:sc= 0.633 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.23) USER MOD Single : A 36 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= -2.97 K(o=-3,f=-4.6!) USER MOD Single : A 40 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.056) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 160:sc= -0.311 USER MOD Single : A 50 TYR OH : rot 0:sc= -1.87! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -83:sc= 1.03 USER MOD Single : A 58 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -156:sc= -0.704 (180deg=-2.39!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -118:sc= 1.23 USER MOD Single : A 72 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.5!) USER MOD Single : A 78 CYS SG : rot 60:sc= -2.62 USER MOD Single : A 87 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.5!) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -0.991 F(o=-2.3,f=-0.99) USER MOD Single : A 90 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot 150:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -3.42 F(o=-5.7!,f=-3.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.75) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 31:sc= 0.171 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -76:sc= -0.83! USER MOD Single : A 119 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.25) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc=-0.00647 F(o=-0.54,f=-0.0065) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 8.899 -8.090 1.801 1.00 0.00 N ATOM 98 CA PRO A 6 8.813 -6.920 0.944 1.00 0.00 C ATOM 99 C PRO A 6 8.007 -7.224 -0.320 1.00 0.00 C ATOM 100 O PRO A 6 8.035 -8.346 -0.824 1.00 0.00 O ATOM 101 CB PRO A 6 10.255 -6.538 0.653 1.00 0.00 C ATOM 102 CG PRO A 6 11.084 -7.772 0.969 1.00 0.00 C ATOM 103 CD PRO A 6 10.211 -8.731 1.760 1.00 0.00 C ATOM 0 HA PRO A 6 8.284 -6.092 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.378 -6.241 -0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.566 -5.691 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.433 -8.243 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.969 -7.500 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.160 -9.708 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.606 -8.890 2.764 1.00 0.00 H new ATOM 111 N LYS A 7 7.308 -6.205 -0.798 1.00 0.00 N ATOM 112 CA LYS A 7 6.496 -6.349 -1.994 1.00 0.00 C ATOM 113 C LYS A 7 6.550 -5.051 -2.802 1.00 0.00 C ATOM 114 O LYS A 7 6.831 -3.986 -2.254 1.00 0.00 O ATOM 115 CB LYS A 7 5.076 -6.786 -1.628 1.00 0.00 C ATOM 116 CG LYS A 7 4.946 -8.311 -1.659 1.00 0.00 C ATOM 117 CD LYS A 7 4.499 -8.850 -0.298 1.00 0.00 C ATOM 118 CE LYS A 7 3.925 -10.262 -0.431 1.00 0.00 C ATOM 119 NZ LYS A 7 4.976 -11.274 -0.180 1.00 0.00 N ATOM 0 H LYS A 7 7.287 -5.276 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 7 6.894 -7.139 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.823 -6.416 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.364 -6.343 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.227 -8.603 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.902 -8.756 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.345 -8.860 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.748 -8.187 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.106 -10.396 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.510 -10.400 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.570 -12.227 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.744 -11.155 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.353 -11.152 0.782 1.00 0.00 H new ATOM 133 N LEU A 8 6.278 -5.183 -4.092 1.00 0.00 N ATOM 134 CA LEU A 8 6.293 -4.033 -4.981 1.00 0.00 C ATOM 135 C LEU A 8 4.859 -3.693 -5.391 1.00 0.00 C ATOM 136 O LEU A 8 4.048 -4.588 -5.626 1.00 0.00 O ATOM 137 CB LEU A 8 7.229 -4.284 -6.165 1.00 0.00 C ATOM 138 CG LEU A 8 8.570 -4.941 -5.833 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.055 -5.814 -6.992 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.609 -3.892 -5.432 1.00 0.00 C ATOM 0 H LEU A 8 6.046 -6.068 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 8 6.694 -3.159 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.708 -4.913 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.426 -3.331 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 8 8.426 -5.597 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.010 -6.269 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.322 -6.596 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.179 -5.199 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.553 -4.385 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.757 -3.193 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.258 -3.350 -4.554 1.00 0.00 H new ATOM 152 N LEU A 9 4.590 -2.398 -5.465 1.00 0.00 N ATOM 153 CA LEU A 9 3.268 -1.928 -5.843 1.00 0.00 C ATOM 154 C LEU A 9 3.217 -1.726 -7.359 1.00 0.00 C ATOM 155 O LEU A 9 3.928 -0.880 -7.899 1.00 0.00 O ATOM 156 CB LEU A 9 2.894 -0.679 -5.043 1.00 0.00 C ATOM 157 CG LEU A 9 3.066 -0.778 -3.526 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.893 0.591 -2.864 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.120 -1.824 -2.933 1.00 0.00 C ATOM 0 H LEU A 9 5.265 -1.659 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 9 2.513 -2.674 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.498 0.154 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.853 -0.434 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 9 4.083 -1.110 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.020 0.493 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.640 1.282 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.896 0.975 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.263 -1.874 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.089 -1.546 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.333 -2.798 -3.373 1.00 0.00 H new ATOM 171 N TYR A 10 2.371 -2.517 -8.001 1.00 0.00 N ATOM 172 CA TYR A 10 2.218 -2.435 -9.444 1.00 0.00 C ATOM 173 C TYR A 10 0.945 -1.674 -9.818 1.00 0.00 C ATOM 174 O TYR A 10 -0.155 -2.072 -9.437 1.00 0.00 O ATOM 175 CB TYR A 10 2.100 -3.878 -9.938 1.00 0.00 C ATOM 176 CG TYR A 10 2.091 -4.015 -11.462 1.00 0.00 C ATOM 177 CD1 TYR A 10 3.229 -3.728 -12.187 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.944 -4.426 -12.111 1.00 0.00 C ATOM 179 CE1 TYR A 10 3.220 -3.857 -13.621 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.936 -4.555 -13.545 1.00 0.00 C ATOM 181 CZ TYR A 10 2.074 -4.264 -14.230 1.00 0.00 C ATOM 182 OH TYR A 10 2.066 -4.386 -15.584 1.00 0.00 O ATOM 0 H TYR A 10 1.784 -3.218 -7.549 1.00 0.00 H new ATOM 0 HA TYR A 10 3.062 -1.908 -9.890 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.931 -4.458 -9.536 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.184 -4.314 -9.539 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.126 -3.407 -11.679 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.053 -4.651 -11.543 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.104 -3.635 -14.200 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.046 -4.876 -14.065 1.00 0.00 H new ATOM 0 HH TYR A 10 1.181 -4.686 -15.880 1.00 0.00 H new ATOM 192 N CYS A 11 1.136 -0.593 -10.560 1.00 0.00 N ATOM 193 CA CYS A 11 0.016 0.227 -10.990 1.00 0.00 C ATOM 194 C CYS A 11 -0.505 -0.329 -12.317 1.00 0.00 C ATOM 195 O CYS A 11 -0.225 0.224 -13.379 1.00 0.00 O ATOM 196 CB CYS A 11 0.406 1.702 -11.104 1.00 0.00 C ATOM 197 SG CYS A 11 -1.095 2.749 -11.084 1.00 0.00 S ATOM 0 H CYS A 11 2.050 -0.266 -10.874 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.777 0.185 -10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.063 1.978 -10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.964 1.869 -12.025 1.00 0.00 H new ATOM 0 HG CYS A 11 -1.852 2.403 -10.085 1.00 0.00 H new ATOM 203 N SER A 12 -1.254 -1.417 -12.212 1.00 0.00 N ATOM 204 CA SER A 12 -1.817 -2.055 -13.390 1.00 0.00 C ATOM 205 C SER A 12 -2.259 -0.992 -14.399 1.00 0.00 C ATOM 206 O SER A 12 -2.225 -1.226 -15.606 1.00 0.00 O ATOM 207 CB SER A 12 -2.995 -2.957 -13.019 1.00 0.00 C ATOM 208 OG SER A 12 -4.048 -2.229 -12.392 1.00 0.00 O ATOM 0 H SER A 12 -1.484 -1.873 -11.329 1.00 0.00 H new ATOM 0 HA SER A 12 -1.046 -2.679 -13.842 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.376 -3.444 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.651 -3.746 -12.350 1.00 0.00 H new ATOM 0 HG SER A 12 -4.658 -2.854 -11.947 1.00 0.00 H new ATOM 214 N ASN A 13 -2.663 0.152 -13.867 1.00 0.00 N ATOM 215 CA ASN A 13 -3.111 1.250 -14.705 1.00 0.00 C ATOM 216 C ASN A 13 -2.111 1.458 -15.844 1.00 0.00 C ATOM 217 O ASN A 13 -2.501 1.571 -17.005 1.00 0.00 O ATOM 218 CB ASN A 13 -3.196 2.553 -13.908 1.00 0.00 C ATOM 219 CG ASN A 13 -3.560 3.729 -14.816 1.00 0.00 C ATOM 220 OD1 ASN A 13 -3.924 3.568 -15.969 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.440 4.919 -14.233 1.00 0.00 N ATOM 0 H ASN A 13 -2.689 0.342 -12.865 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.099 0.998 -15.090 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.942 2.453 -13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.241 2.748 -13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.658 5.767 -14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.130 4.983 -13.263 1.00 0.00 H new ATOM 228 N GLY A 14 -0.840 1.502 -15.472 1.00 0.00 N ATOM 229 CA GLY A 14 0.220 1.693 -16.448 1.00 0.00 C ATOM 230 C GLY A 14 1.243 0.558 -16.377 1.00 0.00 C ATOM 231 O GLY A 14 1.749 0.109 -17.404 1.00 0.00 O ATOM 0 H GLY A 14 -0.520 1.409 -14.508 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.207 1.740 -17.450 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.717 2.647 -16.269 1.00 0.00 H new ATOM 235 N GLY A 15 1.516 0.126 -15.155 1.00 0.00 N ATOM 236 CA GLY A 15 2.470 -0.948 -14.936 1.00 0.00 C ATOM 237 C GLY A 15 3.837 -0.393 -14.532 1.00 0.00 C ATOM 238 O GLY A 15 4.761 -0.358 -15.343 1.00 0.00 O ATOM 0 H GLY A 15 1.093 0.500 -14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.100 -1.615 -14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.569 -1.542 -15.844 1.00 0.00 H new ATOM 242 N HIS A 16 3.923 0.025 -13.278 1.00 0.00 N ATOM 243 CA HIS A 16 5.162 0.576 -12.756 1.00 0.00 C ATOM 244 C HIS A 16 5.246 0.316 -11.250 1.00 0.00 C ATOM 245 O HIS A 16 4.225 0.119 -10.593 1.00 0.00 O ATOM 246 CB HIS A 16 5.289 2.059 -13.109 1.00 0.00 C ATOM 247 CG HIS A 16 5.286 2.340 -14.593 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.124 2.394 -15.343 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.314 2.582 -15.456 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.451 2.656 -16.600 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.808 2.772 -16.668 1.00 0.00 N ATOM 0 H HIS A 16 3.155 -0.007 -12.608 1.00 0.00 H new ATOM 0 HA HIS A 16 6.011 0.077 -13.224 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.467 2.604 -12.645 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.212 2.447 -12.678 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.362 2.614 -15.197 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.763 2.760 -17.426 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.346 2.972 -17.511 1.00 0.00 H new ATOM 259 N PHE A 17 6.472 0.324 -10.748 1.00 0.00 N ATOM 260 CA PHE A 17 6.702 0.091 -9.332 1.00 0.00 C ATOM 261 C PHE A 17 7.003 1.402 -8.603 1.00 0.00 C ATOM 262 O PHE A 17 7.664 2.283 -9.150 1.00 0.00 O ATOM 263 CB PHE A 17 7.918 -0.831 -9.222 1.00 0.00 C ATOM 264 CG PHE A 17 7.635 -2.282 -9.615 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.495 -2.892 -9.192 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.524 -2.963 -10.387 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.233 -4.239 -9.557 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.262 -4.311 -10.751 1.00 0.00 C ATOM 269 CZ PHE A 17 7.122 -4.920 -10.328 1.00 0.00 C ATOM 0 H PHE A 17 7.316 0.488 -11.296 1.00 0.00 H new ATOM 0 HA PHE A 17 5.815 -0.351 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.715 -0.442 -9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.287 -0.808 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.789 -2.352 -8.579 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.429 -2.479 -10.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.327 -4.723 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.968 -4.852 -11.364 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.923 -5.945 -10.605 1.00 0.00 H new ATOM 279 N LEU A 18 6.503 1.490 -7.379 1.00 0.00 N ATOM 280 CA LEU A 18 6.711 2.678 -6.569 1.00 0.00 C ATOM 281 C LEU A 18 8.129 2.659 -5.997 1.00 0.00 C ATOM 282 O LEU A 18 8.466 1.793 -5.190 1.00 0.00 O ATOM 283 CB LEU A 18 5.619 2.797 -5.503 1.00 0.00 C ATOM 284 CG LEU A 18 5.472 4.170 -4.844 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.921 5.197 -5.835 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.620 4.082 -3.577 1.00 0.00 C ATOM 0 H LEU A 18 5.954 0.758 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 18 6.627 3.576 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.665 2.530 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.818 2.061 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 18 6.462 4.512 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.826 6.164 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.601 5.287 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.942 4.873 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.532 5.072 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.628 3.709 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.093 3.403 -2.867 1.00 0.00 H new ATOM 298 N ARG A 19 8.924 3.624 -6.438 1.00 0.00 N ATOM 299 CA ARG A 19 10.299 3.728 -5.980 1.00 0.00 C ATOM 300 C ARG A 19 10.462 4.944 -5.065 1.00 0.00 C ATOM 301 O ARG A 19 9.864 5.991 -5.305 1.00 0.00 O ATOM 302 CB ARG A 19 11.264 3.854 -7.160 1.00 0.00 C ATOM 303 CG ARG A 19 12.658 4.271 -6.686 1.00 0.00 C ATOM 304 CD ARG A 19 13.717 3.939 -7.739 1.00 0.00 C ATOM 305 NE ARG A 19 13.684 4.944 -8.825 1.00 0.00 N ATOM 306 CZ ARG A 19 14.711 5.196 -9.647 1.00 0.00 C ATOM 307 NH1 ARG A 19 15.859 4.519 -9.512 1.00 0.00 N ATOM 308 NH2 ARG A 19 14.591 6.126 -10.604 1.00 0.00 N ATOM 0 H ARG A 19 8.642 4.340 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 19 10.535 2.818 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.325 2.902 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.883 4.588 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.670 5.341 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.896 3.761 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.705 3.921 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.537 2.945 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 19 12.825 5.478 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.951 3.811 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.641 4.711 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.717 6.642 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.373 6.318 -11.230 1.00 0.00 H new ATOM 322 N ILE A 20 11.275 4.763 -4.034 1.00 0.00 N ATOM 323 CA ILE A 20 11.524 5.832 -3.081 1.00 0.00 C ATOM 324 C ILE A 20 13.029 6.099 -3.004 1.00 0.00 C ATOM 325 O ILE A 20 13.795 5.235 -2.581 1.00 0.00 O ATOM 326 CB ILE A 20 10.888 5.504 -1.729 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.468 4.962 -1.909 1.00 0.00 C ATOM 328 CG2 ILE A 20 10.925 6.717 -0.797 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.780 4.768 -0.556 1.00 0.00 C ATOM 0 H ILE A 20 11.769 3.893 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 20 11.052 6.756 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 20 11.476 4.717 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.887 5.651 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.502 4.012 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.467 6.457 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.960 7.018 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.375 7.541 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.773 4.382 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.351 4.060 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.726 5.724 -0.035 1.00 0.00 H new ATOM 341 N LEU A 21 13.406 7.299 -3.419 1.00 0.00 N ATOM 342 CA LEU A 21 14.805 7.691 -3.402 1.00 0.00 C ATOM 343 C LEU A 21 15.130 8.349 -2.059 1.00 0.00 C ATOM 344 O LEU A 21 14.237 8.846 -1.376 1.00 0.00 O ATOM 345 CB LEU A 21 15.130 8.570 -4.612 1.00 0.00 C ATOM 346 CG LEU A 21 14.625 8.063 -5.964 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.809 9.124 -7.051 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.293 6.738 -6.338 1.00 0.00 C ATOM 0 H LEU A 21 12.767 8.013 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 21 15.447 6.815 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.712 9.561 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.212 8.687 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 21 13.555 7.871 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.442 8.738 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.250 10.020 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.867 9.371 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.916 6.400 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.372 6.879 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.067 5.990 -5.578 1.00 0.00 H new ATOM 360 N PRO A 22 16.445 8.329 -1.713 1.00 0.00 N ATOM 361 CA PRO A 22 16.899 8.917 -0.464 1.00 0.00 C ATOM 362 C PRO A 22 16.908 10.445 -0.549 1.00 0.00 C ATOM 363 O PRO A 22 17.112 11.125 0.455 1.00 0.00 O ATOM 364 CB PRO A 22 18.280 8.327 -0.230 1.00 0.00 C ATOM 365 CG PRO A 22 18.740 7.796 -1.578 1.00 0.00 C ATOM 366 CD PRO A 22 17.531 7.749 -2.498 1.00 0.00 C ATOM 0 HA PRO A 22 16.237 8.691 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 22 18.969 9.083 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.243 7.530 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.514 8.439 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.175 6.803 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.706 8.317 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.301 6.727 -2.798 1.00 0.00 H new ATOM 374 N ASP A 23 16.685 10.940 -1.758 1.00 0.00 N ATOM 375 CA ASP A 23 16.665 12.375 -1.987 1.00 0.00 C ATOM 376 C ASP A 23 15.247 12.903 -1.763 1.00 0.00 C ATOM 377 O ASP A 23 14.965 14.069 -2.033 1.00 0.00 O ATOM 378 CB ASP A 23 17.072 12.709 -3.424 1.00 0.00 C ATOM 379 CG ASP A 23 18.192 13.743 -3.555 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.002 14.856 -3.018 1.00 0.00 O ATOM 381 OD2 ASP A 23 19.212 13.398 -4.189 1.00 0.00 O ATOM 0 H ASP A 23 16.517 10.373 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 23 17.370 12.837 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.386 11.790 -3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.195 13.075 -3.958 1.00 0.00 H new ATOM 386 N GLY A 24 14.392 12.019 -1.270 1.00 0.00 N ATOM 387 CA GLY A 24 13.010 12.382 -1.006 1.00 0.00 C ATOM 388 C GLY A 24 12.208 12.471 -2.306 1.00 0.00 C ATOM 389 O GLY A 24 11.388 13.372 -2.474 1.00 0.00 O ATOM 0 H GLY A 24 14.629 11.053 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.556 11.644 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.975 13.340 -0.487 1.00 0.00 H new ATOM 393 N THR A 25 12.473 11.523 -3.193 1.00 0.00 N ATOM 394 CA THR A 25 11.787 11.482 -4.473 1.00 0.00 C ATOM 395 C THR A 25 11.057 10.149 -4.645 1.00 0.00 C ATOM 396 O THR A 25 11.555 9.106 -4.226 1.00 0.00 O ATOM 397 CB THR A 25 12.817 11.757 -5.571 1.00 0.00 C ATOM 398 OG1 THR A 25 13.028 13.164 -5.505 1.00 0.00 O ATOM 399 CG2 THR A 25 12.252 11.529 -6.974 1.00 0.00 C ATOM 0 H THR A 25 13.154 10.777 -3.050 1.00 0.00 H new ATOM 0 HA THR A 25 11.015 12.249 -4.532 1.00 0.00 H new ATOM 0 HB THR A 25 13.686 11.116 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.684 13.428 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.023 11.738 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.926 10.493 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.403 12.193 -7.137 1.00 0.00 H new ATOM 407 N VAL A 26 9.887 10.227 -5.261 1.00 0.00 N ATOM 408 CA VAL A 26 9.083 9.039 -5.494 1.00 0.00 C ATOM 409 C VAL A 26 8.550 9.061 -6.928 1.00 0.00 C ATOM 410 O VAL A 26 7.818 9.973 -7.308 1.00 0.00 O ATOM 411 CB VAL A 26 7.972 8.946 -4.445 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.312 7.566 -4.468 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.506 9.275 -3.050 1.00 0.00 C ATOM 0 H VAL A 26 9.476 11.094 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 26 9.690 8.140 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 26 7.212 9.686 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.526 7.526 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.880 7.386 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.059 6.802 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.696 9.202 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.295 8.570 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.908 10.288 -3.044 1.00 0.00 H new ATOM 423 N ASP A 27 8.939 8.046 -7.685 1.00 0.00 N ATOM 424 CA ASP A 27 8.510 7.937 -9.069 1.00 0.00 C ATOM 425 C ASP A 27 8.389 6.460 -9.447 1.00 0.00 C ATOM 426 O ASP A 27 8.934 5.594 -8.763 1.00 0.00 O ATOM 427 CB ASP A 27 9.525 8.585 -10.013 1.00 0.00 C ATOM 428 CG ASP A 27 10.529 9.522 -9.338 1.00 0.00 C ATOM 429 OD1 ASP A 27 11.387 8.996 -8.597 1.00 0.00 O ATOM 430 OD2 ASP A 27 10.416 10.743 -9.579 1.00 0.00 O ATOM 0 H ASP A 27 9.547 7.291 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 27 7.551 8.446 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.075 7.797 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.984 9.145 -10.775 1.00 0.00 H new ATOM 435 N GLY A 28 7.671 6.216 -10.533 1.00 0.00 N ATOM 436 CA GLY A 28 7.472 4.858 -11.010 1.00 0.00 C ATOM 437 C GLY A 28 8.700 4.360 -11.775 1.00 0.00 C ATOM 438 O GLY A 28 9.410 5.148 -12.398 1.00 0.00 O ATOM 0 H GLY A 28 7.220 6.936 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.273 4.198 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.596 4.821 -11.658 1.00 0.00 H new ATOM 442 N THR A 29 8.912 3.054 -11.703 1.00 0.00 N ATOM 443 CA THR A 29 10.041 2.441 -12.381 1.00 0.00 C ATOM 444 C THR A 29 9.815 0.936 -12.542 1.00 0.00 C ATOM 445 O THR A 29 9.907 0.184 -11.573 1.00 0.00 O ATOM 446 CB THR A 29 11.308 2.784 -11.595 1.00 0.00 C ATOM 447 OG1 THR A 29 12.368 2.515 -12.509 1.00 0.00 O ATOM 448 CG2 THR A 29 11.559 1.815 -10.438 1.00 0.00 C ATOM 0 H THR A 29 8.321 2.404 -11.185 1.00 0.00 H new ATOM 0 HA THR A 29 10.153 2.831 -13.393 1.00 0.00 H new ATOM 0 HB THR A 29 11.231 3.800 -11.208 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.185 2.305 -12.010 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.470 2.103 -9.913 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.716 1.847 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.670 0.803 -10.828 1.00 0.00 H new ATOM 456 N ARG A 30 9.522 0.542 -13.772 1.00 0.00 N ATOM 457 CA ARG A 30 9.282 -0.859 -14.072 1.00 0.00 C ATOM 458 C ARG A 30 10.539 -1.499 -14.664 1.00 0.00 C ATOM 459 O ARG A 30 10.457 -2.272 -15.617 1.00 0.00 O ATOM 460 CB ARG A 30 8.124 -1.020 -15.059 1.00 0.00 C ATOM 461 CG ARG A 30 7.199 -2.164 -14.637 1.00 0.00 C ATOM 462 CD ARG A 30 7.014 -3.169 -15.776 1.00 0.00 C ATOM 463 NE ARG A 30 6.742 -4.515 -15.224 1.00 0.00 N ATOM 464 CZ ARG A 30 6.840 -5.650 -15.930 1.00 0.00 C ATOM 465 NH1 ARG A 30 7.204 -5.608 -17.219 1.00 0.00 N ATOM 466 NH2 ARG A 30 6.573 -6.826 -15.347 1.00 0.00 N ATOM 0 H ARG A 30 9.445 1.169 -14.573 1.00 0.00 H new ATOM 0 HA ARG A 30 9.022 -1.358 -13.138 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.557 -0.091 -15.115 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.516 -1.214 -16.057 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.614 -2.670 -13.765 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.230 -1.762 -14.341 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.190 -2.857 -16.417 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.909 -3.196 -16.397 1.00 0.00 H new ATOM 0 HE ARG A 30 6.463 -4.583 -14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.407 -4.712 -17.663 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.279 -6.472 -17.756 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.295 -6.858 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.647 -7.690 -15.884 1.00 0.00 H new ATOM 480 N ASP A 31 11.674 -1.152 -14.074 1.00 0.00 N ATOM 481 CA ASP A 31 12.947 -1.683 -14.531 1.00 0.00 C ATOM 482 C ASP A 31 13.320 -2.902 -13.684 1.00 0.00 C ATOM 483 O ASP A 31 14.198 -3.678 -14.059 1.00 0.00 O ATOM 484 CB ASP A 31 14.062 -0.646 -14.382 1.00 0.00 C ATOM 485 CG ASP A 31 15.153 -0.711 -15.453 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.794 -0.555 -16.640 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.322 -0.917 -15.059 1.00 0.00 O ATOM 0 H ASP A 31 11.738 -0.510 -13.284 1.00 0.00 H new ATOM 0 HA ASP A 31 12.842 -1.952 -15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.617 0.349 -14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.526 -0.772 -13.404 1.00 0.00 H new ATOM 492 N ARG A 32 12.634 -3.032 -12.558 1.00 0.00 N ATOM 493 CA ARG A 32 12.882 -4.143 -11.655 1.00 0.00 C ATOM 494 C ARG A 32 14.282 -4.031 -11.047 1.00 0.00 C ATOM 495 O ARG A 32 14.428 -3.928 -9.830 1.00 0.00 O ATOM 496 CB ARG A 32 12.756 -5.483 -12.383 1.00 0.00 C ATOM 497 CG ARG A 32 11.352 -6.069 -12.213 1.00 0.00 C ATOM 498 CD ARG A 32 11.415 -7.574 -11.944 1.00 0.00 C ATOM 499 NE ARG A 32 11.990 -8.273 -13.115 1.00 0.00 N ATOM 500 CZ ARG A 32 13.267 -8.669 -13.201 1.00 0.00 C ATOM 501 NH1 ARG A 32 14.111 -8.437 -12.186 1.00 0.00 N ATOM 502 NH2 ARG A 32 13.702 -9.297 -14.302 1.00 0.00 N ATOM 0 H ARG A 32 11.907 -2.386 -12.250 1.00 0.00 H new ATOM 0 HA ARG A 32 12.134 -4.100 -10.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.971 -5.347 -13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.496 -6.183 -11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.843 -5.570 -11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.764 -5.881 -13.111 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.022 -7.769 -11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.416 -7.957 -11.736 1.00 0.00 H new ATOM 0 HE ARG A 32 11.376 -8.465 -13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.781 -7.959 -11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.083 -8.739 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.061 -9.474 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.674 -9.598 -14.367 1.00 0.00 H new ATOM 516 N SER A 33 15.276 -4.056 -11.923 1.00 0.00 N ATOM 517 CA SER A 33 16.659 -3.958 -11.488 1.00 0.00 C ATOM 518 C SER A 33 16.764 -3.019 -10.285 1.00 0.00 C ATOM 519 O SER A 33 17.532 -3.274 -9.359 1.00 0.00 O ATOM 520 CB SER A 33 17.560 -3.469 -12.623 1.00 0.00 C ATOM 521 OG SER A 33 18.490 -4.467 -13.035 1.00 0.00 O ATOM 0 H SER A 33 15.151 -4.143 -12.932 1.00 0.00 H new ATOM 0 HA SER A 33 16.996 -4.952 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.944 -3.174 -13.473 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.102 -2.581 -12.298 1.00 0.00 H new ATOM 0 HG SER A 33 19.045 -4.116 -13.762 1.00 0.00 H new ATOM 527 N ASP A 34 15.981 -1.951 -10.337 1.00 0.00 N ATOM 528 CA ASP A 34 15.976 -0.973 -9.263 1.00 0.00 C ATOM 529 C ASP A 34 15.871 -1.697 -7.920 1.00 0.00 C ATOM 530 O ASP A 34 15.193 -2.718 -7.812 1.00 0.00 O ATOM 531 CB ASP A 34 14.779 -0.027 -9.385 1.00 0.00 C ATOM 532 CG ASP A 34 15.135 1.430 -9.688 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.140 1.900 -9.113 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.393 2.040 -10.488 1.00 0.00 O ATOM 0 H ASP A 34 15.345 -1.742 -11.107 1.00 0.00 H new ATOM 0 HA ASP A 34 16.899 -0.397 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.122 -0.396 -10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.212 -0.061 -8.455 1.00 0.00 H new ATOM 539 N GLN A 35 16.552 -1.141 -6.929 1.00 0.00 N ATOM 540 CA GLN A 35 16.544 -1.721 -5.597 1.00 0.00 C ATOM 541 C GLN A 35 15.709 -0.859 -4.647 1.00 0.00 C ATOM 542 O GLN A 35 15.152 -1.364 -3.673 1.00 0.00 O ATOM 543 CB GLN A 35 17.969 -1.898 -5.067 1.00 0.00 C ATOM 544 CG GLN A 35 18.741 -2.921 -5.901 1.00 0.00 C ATOM 545 CD GLN A 35 18.366 -4.350 -5.501 1.00 0.00 C ATOM 546 OE1 GLN A 35 18.347 -4.711 -4.336 1.00 0.00 O ATOM 547 NE2 GLN A 35 18.069 -5.140 -6.530 1.00 0.00 N ATOM 0 H GLN A 35 17.113 -0.294 -7.022 1.00 0.00 H new ATOM 0 HA GLN A 35 16.088 -2.709 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.490 -0.941 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.936 -2.222 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.528 -2.768 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.812 -2.771 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 35 18.105 -4.774 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.806 -6.112 -6.367 1.00 0.00 H new ATOM 556 N HIS A 36 15.648 0.426 -4.964 1.00 0.00 N ATOM 557 CA HIS A 36 14.891 1.362 -4.152 1.00 0.00 C ATOM 558 C HIS A 36 13.398 1.047 -4.264 1.00 0.00 C ATOM 559 O HIS A 36 12.596 1.529 -3.464 1.00 0.00 O ATOM 560 CB HIS A 36 15.222 2.806 -4.535 1.00 0.00 C ATOM 561 CG HIS A 36 16.701 3.081 -4.669 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.433 2.720 -5.787 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.576 3.687 -3.815 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.690 3.095 -5.603 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.777 3.694 -4.380 1.00 0.00 N ATOM 0 H HIS A 36 16.111 0.841 -5.773 1.00 0.00 H new ATOM 0 HA HIS A 36 15.174 1.251 -3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.732 3.042 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.805 3.476 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.333 4.092 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.503 2.952 -6.299 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.625 4.083 -3.968 1.00 0.00 H new ATOM 573 N ILE A 37 13.069 0.240 -5.262 1.00 0.00 N ATOM 574 CA ILE A 37 11.686 -0.145 -5.488 1.00 0.00 C ATOM 575 C ILE A 37 11.259 -1.150 -4.417 1.00 0.00 C ATOM 576 O ILE A 37 10.077 -1.253 -4.093 1.00 0.00 O ATOM 577 CB ILE A 37 11.499 -0.654 -6.919 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.416 -1.846 -7.201 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.698 0.475 -7.933 1.00 0.00 C ATOM 580 CD1 ILE A 37 12.003 -2.563 -8.488 1.00 0.00 C ATOM 0 H ILE A 37 13.736 -0.158 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 37 11.029 0.720 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 37 10.473 -1.005 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.447 -1.504 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.380 -2.543 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.560 0.086 -8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.971 1.265 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.706 0.879 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.671 -3.406 -8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.980 -2.925 -8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.064 -1.869 -9.327 1.00 0.00 H new ATOM 592 N GLN A 38 12.245 -1.867 -3.897 1.00 0.00 N ATOM 593 CA GLN A 38 11.986 -2.861 -2.869 1.00 0.00 C ATOM 594 C GLN A 38 11.482 -2.185 -1.592 1.00 0.00 C ATOM 595 O GLN A 38 12.266 -1.604 -0.843 1.00 0.00 O ATOM 596 CB GLN A 38 13.235 -3.699 -2.590 1.00 0.00 C ATOM 597 CG GLN A 38 13.261 -4.953 -3.466 1.00 0.00 C ATOM 598 CD GLN A 38 13.475 -6.209 -2.619 1.00 0.00 C ATOM 599 OE1 GLN A 38 13.314 -6.209 -1.410 1.00 0.00 O ATOM 600 NE2 GLN A 38 13.846 -7.277 -3.319 1.00 0.00 N ATOM 0 H GLN A 38 13.224 -1.779 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 38 11.210 -3.535 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.127 -3.102 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.258 -3.985 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.324 -5.036 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.058 -4.868 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.963 -7.209 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.014 -8.164 -2.845 1.00 0.00 H new ATOM 609 N LEU A 39 10.177 -2.283 -1.384 1.00 0.00 N ATOM 610 CA LEU A 39 9.560 -1.688 -0.211 1.00 0.00 C ATOM 611 C LEU A 39 8.993 -2.797 0.679 1.00 0.00 C ATOM 612 O LEU A 39 8.541 -3.827 0.181 1.00 0.00 O ATOM 613 CB LEU A 39 8.524 -0.641 -0.624 1.00 0.00 C ATOM 614 CG LEU A 39 9.023 0.463 -1.559 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.851 1.195 -2.216 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.958 1.424 -0.823 1.00 0.00 C ATOM 0 H LEU A 39 9.530 -2.765 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 39 10.303 -1.152 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.693 -1.153 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.128 -0.175 0.278 1.00 0.00 H new ATOM 0 HG LEU A 39 9.602 -0.001 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.233 1.975 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.259 0.487 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.226 1.646 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.298 2.199 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.425 1.885 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.818 0.874 -0.442 1.00 0.00 H new ATOM 628 N GLN A 40 9.035 -2.547 1.979 1.00 0.00 N ATOM 629 CA GLN A 40 8.531 -3.511 2.943 1.00 0.00 C ATOM 630 C GLN A 40 7.188 -3.045 3.507 1.00 0.00 C ATOM 631 O GLN A 40 7.117 -2.022 4.187 1.00 0.00 O ATOM 632 CB GLN A 40 9.545 -3.746 4.064 1.00 0.00 C ATOM 633 CG GLN A 40 10.009 -2.420 4.671 1.00 0.00 C ATOM 634 CD GLN A 40 9.941 -2.462 6.199 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.894 -2.300 6.803 1.00 0.00 O ATOM 636 NE2 GLN A 40 11.112 -2.689 6.787 1.00 0.00 N ATOM 0 H GLN A 40 9.410 -1.691 2.388 1.00 0.00 H new ATOM 0 HA GLN A 40 8.378 -4.461 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.098 -4.368 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.404 -4.292 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.031 -2.209 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.386 -1.607 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.951 -2.816 6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.171 -2.736 7.804 1.00 0.00 H new ATOM 645 N LEU A 41 6.155 -3.817 3.204 1.00 0.00 N ATOM 646 CA LEU A 41 4.817 -3.496 3.672 1.00 0.00 C ATOM 647 C LEU A 41 4.589 -4.150 5.036 1.00 0.00 C ATOM 648 O LEU A 41 4.942 -5.310 5.239 1.00 0.00 O ATOM 649 CB LEU A 41 3.774 -3.883 2.622 1.00 0.00 C ATOM 650 CG LEU A 41 3.572 -2.887 1.478 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.135 -3.438 0.166 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.100 -2.492 1.349 1.00 0.00 C ATOM 0 H LEU A 41 6.217 -4.665 2.640 1.00 0.00 H new ATOM 0 HA LEU A 41 4.710 -2.420 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.058 -4.845 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.818 -4.027 3.125 1.00 0.00 H new ATOM 0 HG LEU A 41 4.129 -1.980 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.979 -2.711 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.202 -3.628 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.626 -4.368 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.984 -1.784 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.501 -3.380 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.764 -2.030 2.278 1.00 0.00 H new ATOM 664 N SER A 42 3.999 -3.376 5.936 1.00 0.00 N ATOM 665 CA SER A 42 3.719 -3.866 7.275 1.00 0.00 C ATOM 666 C SER A 42 2.345 -3.376 7.735 1.00 0.00 C ATOM 667 O SER A 42 1.841 -2.370 7.236 1.00 0.00 O ATOM 668 CB SER A 42 4.800 -3.418 8.262 1.00 0.00 C ATOM 669 OG SER A 42 6.112 -3.628 7.749 1.00 0.00 O ATOM 0 H SER A 42 3.707 -2.414 5.764 1.00 0.00 H new ATOM 0 HA SER A 42 3.718 -4.956 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.666 -2.361 8.492 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.685 -3.965 9.198 1.00 0.00 H new ATOM 0 HG SER A 42 6.773 -3.328 8.408 1.00 0.00 H new ATOM 675 N ALA A 43 1.776 -4.109 8.681 1.00 0.00 N ATOM 676 CA ALA A 43 0.470 -3.761 9.213 1.00 0.00 C ATOM 677 C ALA A 43 0.605 -3.412 10.697 1.00 0.00 C ATOM 678 O ALA A 43 1.157 -4.190 11.473 1.00 0.00 O ATOM 679 CB ALA A 43 -0.504 -4.917 8.972 1.00 0.00 C ATOM 0 H ALA A 43 2.196 -4.942 9.093 1.00 0.00 H new ATOM 0 HA ALA A 43 0.069 -2.885 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.484 -4.656 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.587 -5.106 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.136 -5.813 9.471 1.00 0.00 H new ATOM 685 N GLU A 44 0.090 -2.242 11.046 1.00 0.00 N ATOM 686 CA GLU A 44 0.146 -1.781 12.422 1.00 0.00 C ATOM 687 C GLU A 44 -1.252 -1.794 13.044 1.00 0.00 C ATOM 688 O GLU A 44 -1.436 -2.291 14.154 1.00 0.00 O ATOM 689 CB GLU A 44 0.771 -0.387 12.508 1.00 0.00 C ATOM 690 CG GLU A 44 0.078 0.460 13.577 1.00 0.00 C ATOM 691 CD GLU A 44 0.939 1.662 13.968 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.164 1.460 14.111 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.353 2.757 14.115 1.00 0.00 O ATOM 0 H GLU A 44 -0.368 -1.600 10.399 1.00 0.00 H new ATOM 0 HA GLU A 44 0.780 -2.464 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.832 -0.474 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.696 0.109 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.886 0.805 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.121 -0.151 14.457 1.00 0.00 H new ATOM 700 N SER A 45 -2.200 -1.243 12.301 1.00 0.00 N ATOM 701 CA SER A 45 -3.576 -1.185 12.766 1.00 0.00 C ATOM 702 C SER A 45 -4.488 -1.933 11.792 1.00 0.00 C ATOM 703 O SER A 45 -4.084 -2.248 10.674 1.00 0.00 O ATOM 704 CB SER A 45 -4.043 0.263 12.926 1.00 0.00 C ATOM 705 OG SER A 45 -2.975 1.191 12.752 1.00 0.00 O ATOM 0 H SER A 45 -2.043 -0.833 11.380 1.00 0.00 H new ATOM 0 HA SER A 45 -3.628 -1.664 13.744 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.828 0.473 12.199 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.481 0.395 13.915 1.00 0.00 H new ATOM 0 HG SER A 45 -3.341 2.075 12.539 1.00 0.00 H new ATOM 711 N VAL A 46 -5.703 -2.195 12.253 1.00 0.00 N ATOM 712 CA VAL A 46 -6.676 -2.900 11.436 1.00 0.00 C ATOM 713 C VAL A 46 -7.062 -2.026 10.241 1.00 0.00 C ATOM 714 O VAL A 46 -7.576 -0.922 10.415 1.00 0.00 O ATOM 715 CB VAL A 46 -7.878 -3.308 12.291 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.034 -3.796 11.414 1.00 0.00 C ATOM 717 CG2 VAL A 46 -7.484 -4.370 13.320 1.00 0.00 C ATOM 0 H VAL A 46 -6.035 -1.932 13.181 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.247 -3.820 11.040 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.218 -2.426 12.834 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.876 -4.080 12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.341 -2.997 10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.710 -4.659 10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.356 -4.642 13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.106 -5.253 12.805 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.709 -3.972 13.975 1.00 0.00 H new ATOM 727 N GLY A 47 -6.799 -2.553 9.054 1.00 0.00 N ATOM 728 CA GLY A 47 -7.112 -1.835 7.831 1.00 0.00 C ATOM 729 C GLY A 47 -6.041 -0.786 7.521 1.00 0.00 C ATOM 730 O GLY A 47 -6.203 0.020 6.607 1.00 0.00 O ATOM 0 H GLY A 47 -6.373 -3.469 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.188 -2.538 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.083 -1.350 7.928 1.00 0.00 H new ATOM 734 N GLU A 48 -4.971 -0.832 8.301 1.00 0.00 N ATOM 735 CA GLU A 48 -3.874 0.104 8.122 1.00 0.00 C ATOM 736 C GLU A 48 -2.588 -0.647 7.771 1.00 0.00 C ATOM 737 O GLU A 48 -2.318 -1.714 8.321 1.00 0.00 O ATOM 738 CB GLU A 48 -3.681 0.969 9.369 1.00 0.00 C ATOM 739 CG GLU A 48 -4.969 1.716 9.722 1.00 0.00 C ATOM 740 CD GLU A 48 -4.676 2.918 10.622 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.594 2.701 11.850 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.540 4.027 10.061 1.00 0.00 O ATOM 0 H GLU A 48 -4.840 -1.503 9.058 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.121 0.769 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.378 0.342 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.876 1.684 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.461 2.052 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.660 1.040 10.226 1.00 0.00 H new ATOM 749 N VAL A 49 -1.828 -0.061 6.858 1.00 0.00 N ATOM 750 CA VAL A 49 -0.577 -0.661 6.427 1.00 0.00 C ATOM 751 C VAL A 49 0.512 0.413 6.388 1.00 0.00 C ATOM 752 O VAL A 49 0.213 1.606 6.392 1.00 0.00 O ATOM 753 CB VAL A 49 -0.770 -1.366 5.083 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.821 -2.473 5.191 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.137 -0.365 3.987 1.00 0.00 C ATOM 0 H VAL A 49 -2.055 0.824 6.404 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.256 -1.424 7.136 1.00 0.00 H new ATOM 0 HB VAL A 49 0.177 -1.830 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.939 -2.958 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.500 -3.209 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.773 -2.042 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.268 -0.892 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.065 0.141 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.339 0.371 3.884 1.00 0.00 H new ATOM 765 N TYR A 50 1.753 -0.049 6.351 1.00 0.00 N ATOM 766 CA TYR A 50 2.888 0.857 6.311 1.00 0.00 C ATOM 767 C TYR A 50 3.869 0.460 5.206 1.00 0.00 C ATOM 768 O TYR A 50 4.237 -0.708 5.088 1.00 0.00 O ATOM 769 CB TYR A 50 3.584 0.722 7.667 1.00 0.00 C ATOM 770 CG TYR A 50 3.168 1.782 8.689 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.452 3.112 8.457 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.510 1.407 9.842 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.060 4.110 9.419 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.118 2.405 10.804 1.00 0.00 C ATOM 775 CZ TYR A 50 2.413 3.707 10.545 1.00 0.00 C ATOM 776 OH TYR A 50 2.043 4.649 11.453 1.00 0.00 O ATOM 0 H TYR A 50 1.997 -1.039 6.348 1.00 0.00 H new ATOM 0 HA TYR A 50 2.558 1.876 6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.371 -0.266 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.662 0.780 7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.968 3.405 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.289 0.366 10.023 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.275 5.155 9.250 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.602 2.126 11.710 1.00 0.00 H new ATOM 0 HH TYR A 50 2.319 5.535 11.136 1.00 0.00 H new ATOM 786 N ILE A 51 4.264 1.454 4.424 1.00 0.00 N ATOM 787 CA ILE A 51 5.195 1.222 3.332 1.00 0.00 C ATOM 788 C ILE A 51 6.514 1.936 3.633 1.00 0.00 C ATOM 789 O ILE A 51 6.558 3.163 3.707 1.00 0.00 O ATOM 790 CB ILE A 51 4.566 1.628 1.997 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.077 1.278 1.964 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.327 1.010 0.823 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.486 1.531 0.575 1.00 0.00 C ATOM 0 H ILE A 51 3.957 2.421 4.525 1.00 0.00 H new ATOM 0 HA ILE A 51 5.420 0.159 3.242 1.00 0.00 H new ATOM 0 HB ILE A 51 4.644 2.711 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.939 0.232 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.543 1.873 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.860 1.314 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.362 1.352 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.302 -0.077 0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.427 1.274 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.604 2.583 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.006 0.916 -0.159 1.00 0.00 H new ATOM 805 N LYS A 52 7.558 1.136 3.798 1.00 0.00 N ATOM 806 CA LYS A 52 8.875 1.676 4.089 1.00 0.00 C ATOM 807 C LYS A 52 9.891 1.088 3.107 1.00 0.00 C ATOM 808 O LYS A 52 9.791 -0.078 2.728 1.00 0.00 O ATOM 809 CB LYS A 52 9.236 1.446 5.558 1.00 0.00 C ATOM 810 CG LYS A 52 10.702 1.796 5.824 1.00 0.00 C ATOM 811 CD LYS A 52 11.235 1.036 7.040 1.00 0.00 C ATOM 812 CE LYS A 52 12.763 0.960 7.011 1.00 0.00 C ATOM 813 NZ LYS A 52 13.345 1.816 8.069 1.00 0.00 N ATOM 0 H LYS A 52 7.518 0.119 3.736 1.00 0.00 H new ATOM 0 HA LYS A 52 8.883 2.757 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.592 2.054 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.053 0.404 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.302 1.553 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.799 2.869 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.909 1.531 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.817 0.029 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.084 -0.072 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.130 1.278 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.383 1.753 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.053 2.803 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.009 1.495 8.999 1.00 0.00 H new ATOM 827 N SER A 53 10.845 1.923 2.722 1.00 0.00 N ATOM 828 CA SER A 53 11.878 1.501 1.791 1.00 0.00 C ATOM 829 C SER A 53 12.944 0.685 2.526 1.00 0.00 C ATOM 830 O SER A 53 13.482 1.131 3.539 1.00 0.00 O ATOM 831 CB SER A 53 12.517 2.703 1.094 1.00 0.00 C ATOM 832 OG SER A 53 12.977 2.380 -0.215 1.00 0.00 O ATOM 0 H SER A 53 10.924 2.890 3.038 1.00 0.00 H new ATOM 0 HA SER A 53 11.414 0.877 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.792 3.514 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.353 3.067 1.692 1.00 0.00 H new ATOM 0 HG SER A 53 13.377 3.174 -0.627 1.00 0.00 H new ATOM 838 N THR A 54 13.217 -0.494 1.988 1.00 0.00 N ATOM 839 CA THR A 54 14.208 -1.375 2.581 1.00 0.00 C ATOM 840 C THR A 54 15.609 -1.012 2.085 1.00 0.00 C ATOM 841 O THR A 54 16.570 -1.736 2.341 1.00 0.00 O ATOM 842 CB THR A 54 13.807 -2.818 2.266 1.00 0.00 C ATOM 843 OG1 THR A 54 13.915 -2.907 0.848 1.00 0.00 O ATOM 844 CG2 THR A 54 12.327 -3.089 2.545 1.00 0.00 C ATOM 0 H THR A 54 12.769 -0.860 1.148 1.00 0.00 H new ATOM 0 HA THR A 54 14.241 -1.261 3.664 1.00 0.00 H new ATOM 0 HB THR A 54 14.418 -3.501 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.095 -2.564 0.435 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.096 -4.127 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.116 -2.905 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.714 -2.429 1.931 1.00 0.00 H new ATOM 852 N GLU A 55 15.681 0.110 1.383 1.00 0.00 N ATOM 853 CA GLU A 55 16.948 0.578 0.848 1.00 0.00 C ATOM 854 C GLU A 55 17.394 1.849 1.575 1.00 0.00 C ATOM 855 O GLU A 55 18.384 1.837 2.304 1.00 0.00 O ATOM 856 CB GLU A 55 16.854 0.813 -0.660 1.00 0.00 C ATOM 857 CG GLU A 55 18.205 1.242 -1.234 1.00 0.00 C ATOM 858 CD GLU A 55 18.663 0.284 -2.336 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.441 -0.933 -2.157 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.223 0.790 -3.332 1.00 0.00 O ATOM 0 H GLU A 55 14.882 0.708 1.173 1.00 0.00 H new ATOM 0 HA GLU A 55 17.698 -0.195 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.519 -0.099 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.107 1.580 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.129 2.253 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.950 1.269 -0.439 1.00 0.00 H new ATOM 867 N THR A 56 16.640 2.915 1.350 1.00 0.00 N ATOM 868 CA THR A 56 16.945 4.192 1.973 1.00 0.00 C ATOM 869 C THR A 56 16.559 4.168 3.454 1.00 0.00 C ATOM 870 O THR A 56 17.325 4.613 4.306 1.00 0.00 O ATOM 871 CB THR A 56 16.234 5.288 1.178 1.00 0.00 C ATOM 872 OG1 THR A 56 14.888 4.831 1.082 1.00 0.00 O ATOM 873 CG2 THR A 56 16.708 5.359 -0.275 1.00 0.00 C ATOM 0 H THR A 56 15.819 2.921 0.745 1.00 0.00 H new ATOM 0 HA THR A 56 18.015 4.397 1.951 1.00 0.00 H new ATOM 0 HB THR A 56 16.399 6.251 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.356 5.484 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.172 6.153 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.778 5.568 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.513 4.407 -0.768 1.00 0.00 H new ATOM 881 N GLY A 57 15.370 3.643 3.714 1.00 0.00 N ATOM 882 CA GLY A 57 14.873 3.555 5.076 1.00 0.00 C ATOM 883 C GLY A 57 13.895 4.692 5.378 1.00 0.00 C ATOM 884 O GLY A 57 13.835 5.182 6.504 1.00 0.00 O ATOM 0 H GLY A 57 14.737 3.274 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.378 2.596 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.709 3.594 5.775 1.00 0.00 H new ATOM 888 N GLN A 58 13.152 5.079 4.351 1.00 0.00 N ATOM 889 CA GLN A 58 12.180 6.149 4.491 1.00 0.00 C ATOM 890 C GLN A 58 10.759 5.586 4.439 1.00 0.00 C ATOM 891 O GLN A 58 10.556 4.440 4.041 1.00 0.00 O ATOM 892 CB GLN A 58 12.385 7.221 3.418 1.00 0.00 C ATOM 893 CG GLN A 58 13.873 7.472 3.171 1.00 0.00 C ATOM 894 CD GLN A 58 14.080 8.423 1.990 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.735 9.447 2.092 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.487 8.027 0.867 1.00 0.00 N ATOM 0 H GLN A 58 13.204 4.670 3.418 1.00 0.00 H new ATOM 0 HA GLN A 58 12.327 6.621 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.906 6.908 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.903 8.148 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.328 7.895 4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.377 6.526 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.953 7.158 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.566 8.592 0.022 1.00 0.00 H new ATOM 905 N TYR A 59 9.811 6.417 4.847 1.00 0.00 N ATOM 906 CA TYR A 59 8.415 6.016 4.852 1.00 0.00 C ATOM 907 C TYR A 59 7.635 6.729 3.745 1.00 0.00 C ATOM 908 O TYR A 59 7.827 7.922 3.516 1.00 0.00 O ATOM 909 CB TYR A 59 7.857 6.446 6.210 1.00 0.00 C ATOM 910 CG TYR A 59 8.703 5.993 7.402 1.00 0.00 C ATOM 911 CD1 TYR A 59 9.433 4.825 7.326 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.736 6.754 8.553 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.229 4.399 8.448 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.532 6.328 9.675 1.00 0.00 C ATOM 915 CZ TYR A 59 10.240 5.172 9.567 1.00 0.00 C ATOM 916 OH TYR A 59 10.992 4.769 10.626 1.00 0.00 O ATOM 0 H TYR A 59 9.983 7.367 5.177 1.00 0.00 H new ATOM 0 HA TYR A 59 8.324 4.943 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.773 7.533 6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.849 6.046 6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.408 4.230 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.165 7.669 8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.804 3.486 8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.566 6.913 10.582 1.00 0.00 H new ATOM 0 HH TYR A 59 10.905 5.418 11.355 1.00 0.00 H new ATOM 926 N LEU A 60 6.773 5.967 3.088 1.00 0.00 N ATOM 927 CA LEU A 60 5.964 6.511 2.010 1.00 0.00 C ATOM 928 C LEU A 60 4.814 7.327 2.604 1.00 0.00 C ATOM 929 O LEU A 60 3.950 6.782 3.288 1.00 0.00 O ATOM 930 CB LEU A 60 5.505 5.395 1.070 1.00 0.00 C ATOM 931 CG LEU A 60 4.652 5.832 -0.123 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.531 6.229 -1.310 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.637 4.750 -0.497 1.00 0.00 C ATOM 0 H LEU A 60 6.617 4.978 3.281 1.00 0.00 H new ATOM 0 HA LEU A 60 6.554 7.191 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.388 4.880 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.937 4.668 1.651 1.00 0.00 H new ATOM 0 HG LEU A 60 4.086 6.717 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.900 6.535 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.179 7.057 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.142 5.378 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.044 5.086 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.164 3.833 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.979 4.559 0.351 1.00 0.00 H new ATOM 945 N ALA A 61 4.841 8.621 2.320 1.00 0.00 N ATOM 946 CA ALA A 61 3.812 9.518 2.817 1.00 0.00 C ATOM 947 C ALA A 61 3.390 10.473 1.699 1.00 0.00 C ATOM 948 O ALA A 61 4.198 10.825 0.840 1.00 0.00 O ATOM 949 CB ALA A 61 4.332 10.258 4.051 1.00 0.00 C ATOM 0 H ALA A 61 5.560 9.070 1.752 1.00 0.00 H new ATOM 0 HA ALA A 61 2.929 8.957 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.560 10.931 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.590 9.536 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.217 10.835 3.783 1.00 0.00 H new ATOM 955 N MET A 62 2.126 10.865 1.745 1.00 0.00 N ATOM 956 CA MET A 62 1.587 11.773 0.746 1.00 0.00 C ATOM 957 C MET A 62 1.423 13.183 1.317 1.00 0.00 C ATOM 958 O MET A 62 0.637 13.395 2.239 1.00 0.00 O ATOM 959 CB MET A 62 0.229 11.256 0.266 1.00 0.00 C ATOM 960 CG MET A 62 -0.338 12.150 -0.839 1.00 0.00 C ATOM 961 SD MET A 62 -1.790 11.393 -1.551 1.00 0.00 S ATOM 962 CE MET A 62 -1.134 9.784 -1.957 1.00 0.00 C ATOM 0 H MET A 62 1.459 10.571 2.458 1.00 0.00 H new ATOM 0 HA MET A 62 2.285 11.819 -0.090 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.334 10.236 -0.104 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.468 11.221 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.591 13.129 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.415 12.310 -1.611 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.725 9.342 -2.760 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.098 9.885 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.178 9.141 -1.078 1.00 0.00 H new ATOM 972 N ASP A 63 2.179 14.109 0.746 1.00 0.00 N ATOM 973 CA ASP A 63 2.127 15.493 1.187 1.00 0.00 C ATOM 974 C ASP A 63 0.771 16.093 0.812 1.00 0.00 C ATOM 975 O ASP A 63 -0.151 15.369 0.442 1.00 0.00 O ATOM 976 CB ASP A 63 3.217 16.327 0.511 1.00 0.00 C ATOM 977 CG ASP A 63 4.293 16.872 1.452 1.00 0.00 C ATOM 978 OD1 ASP A 63 3.922 17.231 2.590 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.462 16.916 1.013 1.00 0.00 O ATOM 0 H ASP A 63 2.831 13.929 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 63 2.278 15.509 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.699 15.717 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.746 17.166 -0.002 1.00 0.00 H new ATOM 984 N THR A 64 0.692 17.411 0.922 1.00 0.00 N ATOM 985 CA THR A 64 -0.536 18.117 0.599 1.00 0.00 C ATOM 986 C THR A 64 -0.621 18.379 -0.906 1.00 0.00 C ATOM 987 O THR A 64 -1.663 18.795 -1.409 1.00 0.00 O ATOM 988 CB THR A 64 -0.583 19.394 1.441 1.00 0.00 C ATOM 989 OG1 THR A 64 0.480 20.190 0.925 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.190 19.148 2.899 1.00 0.00 C ATOM 0 H THR A 64 1.459 18.009 1.230 1.00 0.00 H new ATOM 0 HA THR A 64 -1.413 17.517 0.843 1.00 0.00 H new ATOM 0 HB THR A 64 -1.586 19.818 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.520 21.039 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.240 20.086 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.876 18.427 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.826 18.756 2.941 1.00 0.00 H new ATOM 998 N ASP A 65 0.489 18.123 -1.582 1.00 0.00 N ATOM 999 CA ASP A 65 0.553 18.325 -3.020 1.00 0.00 C ATOM 1000 C ASP A 65 0.024 17.078 -3.730 1.00 0.00 C ATOM 1001 O ASP A 65 -0.094 17.059 -4.954 1.00 0.00 O ATOM 1002 CB ASP A 65 1.994 18.556 -3.480 1.00 0.00 C ATOM 1003 CG ASP A 65 2.726 19.694 -2.767 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.022 20.535 -2.167 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.974 19.699 -2.838 1.00 0.00 O ATOM 0 H ASP A 65 1.351 17.777 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.048 19.201 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.558 17.634 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.989 18.762 -4.550 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.282 16.066 -2.931 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.796 14.818 -3.468 1.00 0.00 C ATOM 1012 C GLY A 66 0.340 13.937 -3.992 1.00 0.00 C ATOM 1013 O GLY A 66 0.097 12.852 -4.519 1.00 0.00 O ATOM 0 H GLY A 66 -0.184 16.085 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.347 14.284 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.500 15.027 -4.274 1.00 0.00 H new ATOM 1017 N LEU A 67 1.556 14.435 -3.827 1.00 0.00 N ATOM 1018 CA LEU A 67 2.731 13.707 -4.276 1.00 0.00 C ATOM 1019 C LEU A 67 3.186 12.751 -3.171 1.00 0.00 C ATOM 1020 O LEU A 67 2.763 12.877 -2.023 1.00 0.00 O ATOM 1021 CB LEU A 67 3.820 14.678 -4.737 1.00 0.00 C ATOM 1022 CG LEU A 67 3.505 15.491 -5.994 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.049 16.906 -5.632 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.697 15.501 -6.953 1.00 0.00 C ATOM 0 H LEU A 67 1.754 15.334 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 67 2.492 13.097 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.029 15.372 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.734 14.111 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 67 2.677 15.009 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.832 17.463 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.151 16.853 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.839 17.412 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.447 16.086 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.560 15.945 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.935 14.479 -7.248 1.00 0.00 H new ATOM 1036 N LEU A 68 4.042 11.816 -3.557 1.00 0.00 N ATOM 1037 CA LEU A 68 4.559 10.840 -2.614 1.00 0.00 C ATOM 1038 C LEU A 68 6.019 11.170 -2.294 1.00 0.00 C ATOM 1039 O LEU A 68 6.842 11.301 -3.199 1.00 0.00 O ATOM 1040 CB LEU A 68 4.352 9.420 -3.145 1.00 0.00 C ATOM 1041 CG LEU A 68 2.915 8.895 -3.112 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.722 7.764 -4.124 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.518 8.472 -1.697 1.00 0.00 C ATOM 0 H LEU A 68 4.390 11.714 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 68 4.007 10.888 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.708 9.383 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.979 8.742 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 68 2.248 9.706 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.692 7.409 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.936 8.133 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.399 6.944 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.492 8.103 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.186 7.683 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.592 9.328 -1.027 1.00 0.00 H new ATOM 1055 N TYR A 69 6.295 11.294 -1.004 1.00 0.00 N ATOM 1056 CA TYR A 69 7.640 11.606 -0.553 1.00 0.00 C ATOM 1057 C TYR A 69 8.026 10.750 0.655 1.00 0.00 C ATOM 1058 O TYR A 69 7.162 10.165 1.307 1.00 0.00 O ATOM 1059 CB TYR A 69 7.614 13.077 -0.134 1.00 0.00 C ATOM 1060 CG TYR A 69 6.921 13.330 1.206 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.501 12.889 2.377 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.714 13.999 1.243 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.848 13.127 3.639 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.061 14.238 2.504 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.661 13.789 3.640 1.00 0.00 C ATOM 1066 OH TYR A 69 5.044 14.015 4.831 1.00 0.00 O ATOM 0 H TYR A 69 5.609 11.184 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 69 8.365 11.409 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.638 13.446 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.109 13.656 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.445 12.365 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.259 14.343 0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.292 12.787 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.117 14.761 2.547 1.00 0.00 H new ATOM 0 HH TYR A 69 4.206 14.499 4.678 1.00 0.00 H new ATOM 1076 N GLY A 70 9.324 10.704 0.917 1.00 0.00 N ATOM 1077 CA GLY A 70 9.834 9.930 2.036 1.00 0.00 C ATOM 1078 C GLY A 70 9.955 10.795 3.292 1.00 0.00 C ATOM 1079 O GLY A 70 10.564 11.863 3.258 1.00 0.00 O ATOM 0 H GLY A 70 10.038 11.190 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.170 9.088 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.809 9.515 1.781 1.00 0.00 H new ATOM 1083 N SER A 71 9.364 10.301 4.370 1.00 0.00 N ATOM 1084 CA SER A 71 9.397 11.016 5.635 1.00 0.00 C ATOM 1085 C SER A 71 10.590 10.546 6.470 1.00 0.00 C ATOM 1086 O SER A 71 10.906 9.357 6.495 1.00 0.00 O ATOM 1087 CB SER A 71 8.095 10.820 6.413 1.00 0.00 C ATOM 1088 OG SER A 71 8.015 11.680 7.546 1.00 0.00 O ATOM 0 H SER A 71 8.860 9.415 4.394 1.00 0.00 H new ATOM 0 HA SER A 71 9.505 12.080 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.247 11.009 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.020 9.783 6.739 1.00 0.00 H new ATOM 0 HG SER A 71 7.972 11.141 8.363 1.00 0.00 H new ATOM 1094 N GLN A 72 11.221 11.504 7.134 1.00 0.00 N ATOM 1095 CA GLN A 72 12.372 11.203 7.968 1.00 0.00 C ATOM 1096 C GLN A 72 11.928 10.491 9.248 1.00 0.00 C ATOM 1097 O GLN A 72 12.642 9.632 9.764 1.00 0.00 O ATOM 1098 CB GLN A 72 13.161 12.473 8.293 1.00 0.00 C ATOM 1099 CG GLN A 72 14.565 12.133 8.796 1.00 0.00 C ATOM 1100 CD GLN A 72 15.609 13.070 8.185 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.295 14.012 7.477 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.864 12.760 8.499 1.00 0.00 N ATOM 0 H GLN A 72 10.957 12.489 7.111 1.00 0.00 H new ATOM 0 HA GLN A 72 13.033 10.536 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.231 13.099 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.630 13.052 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.594 12.210 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.806 11.100 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.056 11.957 9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.634 13.326 8.141 1.00 0.00 H new ATOM 1111 N THR A 73 10.753 10.876 9.724 1.00 0.00 N ATOM 1112 CA THR A 73 10.206 10.285 10.934 1.00 0.00 C ATOM 1113 C THR A 73 8.850 9.639 10.646 1.00 0.00 C ATOM 1114 O THR A 73 8.189 9.983 9.667 1.00 0.00 O ATOM 1115 CB THR A 73 10.145 11.375 12.006 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.692 12.528 11.303 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.531 11.771 12.519 1.00 0.00 C ATOM 0 H THR A 73 10.165 11.590 9.294 1.00 0.00 H new ATOM 0 HA THR A 73 10.841 9.480 11.304 1.00 0.00 H new ATOM 0 HB THR A 73 9.535 11.029 12.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.622 13.283 11.924 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.430 12.547 13.277 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.020 10.900 12.954 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.131 12.148 11.691 1.00 0.00 H new ATOM 1125 N PRO A 74 8.465 8.688 11.539 1.00 0.00 N ATOM 1126 CA PRO A 74 7.199 7.991 11.391 1.00 0.00 C ATOM 1127 C PRO A 74 6.027 8.890 11.789 1.00 0.00 C ATOM 1128 O PRO A 74 5.883 9.247 12.958 1.00 0.00 O ATOM 1129 CB PRO A 74 7.325 6.756 12.268 1.00 0.00 C ATOM 1130 CG PRO A 74 8.465 7.043 13.231 1.00 0.00 C ATOM 1131 CD PRO A 74 9.221 8.255 12.710 1.00 0.00 C ATOM 0 HA PRO A 74 6.992 7.711 10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.397 6.564 12.807 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.534 5.871 11.668 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.080 7.235 14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.129 6.182 13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.272 9.043 13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.247 7.998 12.446 1.00 0.00 H new ATOM 1139 N ASN A 75 5.219 9.231 10.796 1.00 0.00 N ATOM 1140 CA ASN A 75 4.065 10.082 11.028 1.00 0.00 C ATOM 1141 C ASN A 75 2.812 9.396 10.479 1.00 0.00 C ATOM 1142 O ASN A 75 2.899 8.577 9.565 1.00 0.00 O ATOM 1143 CB ASN A 75 4.219 11.426 10.314 1.00 0.00 C ATOM 1144 CG ASN A 75 5.177 12.345 11.075 1.00 0.00 C ATOM 1145 OD1 ASN A 75 4.782 13.313 11.704 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.455 11.988 10.984 1.00 0.00 N ATOM 0 H ASN A 75 5.341 8.933 9.828 1.00 0.00 H new ATOM 0 HA ASN A 75 3.982 10.251 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.592 11.264 9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.245 11.906 10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.173 12.537 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.717 11.166 10.441 1.00 0.00 H new ATOM 1153 N GLU A 76 1.677 9.755 11.059 1.00 0.00 N ATOM 1154 CA GLU A 76 0.408 9.184 10.640 1.00 0.00 C ATOM 1155 C GLU A 76 0.289 9.220 9.115 1.00 0.00 C ATOM 1156 O GLU A 76 -0.426 8.411 8.525 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.765 9.911 11.299 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.419 9.038 12.371 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.001 9.484 13.773 1.00 0.00 C ATOM 1160 OE1 GLU A 76 0.196 9.811 13.931 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.886 9.489 14.655 1.00 0.00 O ATOM 0 H GLU A 76 1.609 10.435 11.816 1.00 0.00 H new ATOM 0 HA GLU A 76 0.375 8.144 10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.416 10.842 11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.503 10.178 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.504 9.092 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.137 7.996 12.218 1.00 0.00 H new ATOM 1168 N GLU A 77 1.000 10.167 8.519 1.00 0.00 N ATOM 1169 CA GLU A 77 0.982 10.318 7.075 1.00 0.00 C ATOM 1170 C GLU A 77 1.544 9.064 6.402 1.00 0.00 C ATOM 1171 O GLU A 77 1.144 8.719 5.291 1.00 0.00 O ATOM 1172 CB GLU A 77 1.758 11.565 6.645 1.00 0.00 C ATOM 1173 CG GLU A 77 1.017 12.840 7.053 1.00 0.00 C ATOM 1174 CD GLU A 77 1.688 14.079 6.456 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.374 14.386 5.286 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.500 14.690 7.184 1.00 0.00 O ATOM 0 H GLU A 77 1.592 10.837 9.011 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.052 10.445 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.749 11.555 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.902 11.554 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.019 12.786 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.997 12.921 8.140 1.00 0.00 H new ATOM 1183 N CYS A 78 2.462 8.416 7.104 1.00 0.00 N ATOM 1184 CA CYS A 78 3.082 7.207 6.589 1.00 0.00 C ATOM 1185 C CYS A 78 2.094 6.051 6.756 1.00 0.00 C ATOM 1186 O CYS A 78 2.247 5.004 6.130 1.00 0.00 O ATOM 1187 CB CYS A 78 4.419 6.920 7.276 1.00 0.00 C ATOM 1188 SG CYS A 78 5.508 8.386 7.163 1.00 0.00 S ATOM 0 H CYS A 78 2.791 8.705 8.025 1.00 0.00 H new ATOM 0 HA CYS A 78 3.312 7.336 5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.252 6.661 8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.901 6.062 6.808 1.00 0.00 H new ATOM 0 HG CYS A 78 4.935 9.398 7.745 1.00 0.00 H new ATOM 1194 N LEU A 79 1.102 6.281 7.603 1.00 0.00 N ATOM 1195 CA LEU A 79 0.089 5.271 7.861 1.00 0.00 C ATOM 1196 C LEU A 79 -1.068 5.454 6.877 1.00 0.00 C ATOM 1197 O LEU A 79 -1.698 6.510 6.844 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.340 5.305 9.329 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.115 4.085 9.829 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.669 2.815 9.101 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -0.997 3.945 11.348 1.00 0.00 C ATOM 0 H LEU A 79 0.978 7.152 8.120 1.00 0.00 H new ATOM 0 HA LEU A 79 0.494 4.273 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.552 5.422 9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.955 6.191 9.487 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.170 4.234 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.236 1.963 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.847 2.927 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.394 2.649 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.557 3.070 11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.052 3.829 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.401 4.836 11.828 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.313 4.410 6.100 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.384 4.442 5.118 1.00 0.00 C ATOM 1215 C PHE A 80 -3.398 3.326 5.376 1.00 0.00 C ATOM 1216 O PHE A 80 -3.115 2.383 6.114 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.741 4.223 3.747 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.935 5.421 3.240 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.213 5.785 3.871 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.368 6.122 2.158 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.961 6.897 3.400 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.621 7.234 1.687 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.528 7.598 2.318 1.00 0.00 C ATOM 0 H PHE A 80 -0.788 3.536 6.130 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.910 5.395 5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.086 3.353 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.522 3.991 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.556 5.229 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.280 5.833 1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.873 7.186 3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.965 7.791 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.096 8.444 1.960 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.559 3.469 4.754 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.617 2.485 4.907 1.00 0.00 C ATOM 1235 C LEU A 81 -5.697 1.628 3.642 1.00 0.00 C ATOM 1236 O LEU A 81 -5.819 2.155 2.537 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.936 3.168 5.271 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.833 4.364 6.220 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.946 4.035 7.423 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.351 5.613 5.478 1.00 0.00 C ATOM 0 H LEU A 81 -4.790 4.252 4.143 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.394 1.812 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.416 3.500 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.594 2.426 5.724 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.830 4.582 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.890 4.902 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.370 3.192 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.945 3.776 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.287 6.448 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.368 5.423 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.055 5.858 4.683 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.625 0.321 3.845 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.688 -0.614 2.735 1.00 0.00 C ATOM 1254 C GLU A 82 -7.018 -1.369 2.751 1.00 0.00 C ATOM 1255 O GLU A 82 -7.621 -1.549 3.808 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.506 -1.586 2.769 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.717 -2.740 1.787 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.659 -3.794 2.374 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.599 -3.983 3.608 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.418 -4.385 1.576 1.00 0.00 O ATOM 0 H GLU A 82 -5.524 -0.113 4.763 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.625 -0.048 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.587 -1.055 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.383 -1.980 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.130 -2.357 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.757 -3.198 1.547 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.438 -1.790 1.567 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.686 -2.521 1.432 1.00 0.00 C ATOM 1269 C ARG A 83 -8.669 -3.370 0.159 1.00 0.00 C ATOM 1270 O ARG A 83 -7.826 -3.169 -0.714 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.881 -1.567 1.384 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.772 -1.742 2.616 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.053 -2.500 2.262 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.762 -2.900 3.498 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.640 -3.910 3.568 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -13.922 -4.629 2.473 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -14.236 -4.201 4.732 1.00 0.00 N ATOM 0 H ARG A 83 -6.936 -1.639 0.692 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.787 -3.168 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.527 -0.537 1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.463 -1.752 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.227 -2.283 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.025 -0.765 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.699 -1.872 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.811 -3.383 1.670 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.570 -2.374 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.468 -4.407 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.590 -5.398 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.022 -3.654 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.904 -4.970 4.785 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.610 -4.300 0.093 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.714 -5.180 -1.059 1.00 0.00 C ATOM 1293 C LEU A 84 -10.778 -4.637 -2.015 1.00 0.00 C ATOM 1294 O LEU A 84 -11.873 -4.274 -1.590 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.967 -6.621 -0.611 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.583 -7.711 -1.613 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.166 -7.416 -2.996 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.066 -7.903 -1.660 1.00 0.00 C ATOM 0 H LEU A 84 -10.308 -4.464 0.819 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.773 -5.202 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.417 -6.795 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.026 -6.727 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.017 -8.652 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.878 -8.207 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.253 -7.370 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.783 -6.461 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.820 -8.684 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.590 -6.969 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.705 -8.193 -0.673 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.418 -4.599 -3.290 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.328 -4.107 -4.310 1.00 0.00 C ATOM 1312 C GLU A 85 -11.708 -5.235 -5.271 1.00 0.00 C ATOM 1313 O GLU A 85 -11.072 -6.288 -5.280 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.716 -2.925 -5.066 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.168 -1.878 -4.095 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.798 -0.508 -4.353 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -11.075 -0.225 -5.539 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -10.989 0.226 -3.359 1.00 0.00 O ATOM 0 H GLU A 85 -9.509 -4.901 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.235 -3.753 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.915 -3.279 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.470 -2.471 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.369 -2.187 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.085 -1.810 -4.201 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.742 -4.976 -6.058 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.214 -5.957 -7.020 1.00 0.00 C ATOM 1327 C GLU A 86 -12.035 -6.561 -7.784 1.00 0.00 C ATOM 1328 O GLU A 86 -10.902 -6.101 -7.649 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.230 -5.336 -7.981 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.401 -6.289 -8.231 1.00 0.00 C ATOM 1331 CD GLU A 86 -15.853 -6.231 -9.692 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.028 -5.096 -10.187 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.014 -7.322 -10.280 1.00 0.00 O ATOM 0 H GLU A 86 -13.266 -4.101 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.718 -6.757 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.601 -4.398 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.743 -5.097 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.106 -7.307 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.234 -6.027 -7.578 1.00 0.00 H new ATOM 1340 N ASN A 87 -12.341 -7.583 -8.571 1.00 0.00 N ATOM 1341 CA ASN A 87 -11.320 -8.254 -9.357 1.00 0.00 C ATOM 1342 C ASN A 87 -10.344 -8.964 -8.417 1.00 0.00 C ATOM 1343 O ASN A 87 -10.484 -10.158 -8.156 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.525 -7.254 -10.197 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.935 -7.325 -11.669 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.895 -7.980 -12.042 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.157 -6.617 -12.483 1.00 0.00 N ATOM 0 H ASN A 87 -13.282 -7.962 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.816 -8.965 -10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.689 -6.245 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.459 -7.461 -10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.348 -6.600 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.369 -6.091 -12.105 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.376 -8.199 -7.933 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.377 -8.740 -7.027 1.00 0.00 C ATOM 1356 C HIS A 88 -7.261 -7.714 -6.822 1.00 0.00 C ATOM 1357 O HIS A 88 -6.084 -8.069 -6.795 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.857 -10.088 -7.533 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.558 -10.114 -9.013 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -7.458 -9.100 -9.920 1.00 0.00 N flip ATOM 1361 CD2 HIS A 88 -7.325 -11.286 -9.710 1.00 0.00 C flip ATOM 1362 CE1 HIS A 88 -7.177 -9.625 -11.107 1.00 0.00 C flip ATOM 1363 NE2 HIS A 88 -7.095 -10.980 -10.979 1.00 0.00 N flip ATOM 0 H HIS A 88 -9.262 -7.209 -8.151 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.830 -8.933 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -6.951 -10.345 -6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.595 -10.858 -7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -7.330 -12.281 -9.291 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.037 -9.070 -12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.892 -11.642 -11.728 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.671 -6.462 -6.683 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.721 -5.381 -6.481 1.00 0.00 C ATOM 1373 C TYR A 89 -6.856 -4.787 -5.078 1.00 0.00 C ATOM 1374 O TYR A 89 -7.854 -5.016 -4.396 1.00 0.00 O ATOM 1375 CB TYR A 89 -7.076 -4.309 -7.512 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.564 -4.608 -8.923 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -5.216 -4.813 -9.139 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -7.450 -4.673 -9.979 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.735 -5.094 -10.466 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.968 -4.954 -11.307 1.00 0.00 C ATOM 1381 CZ TYR A 89 -5.634 -5.151 -11.485 1.00 0.00 C ATOM 1382 OH TYR A 89 -5.179 -5.417 -12.738 1.00 0.00 O ATOM 0 H TYR A 89 -8.649 -6.172 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.699 -5.744 -6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.160 -4.197 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.667 -3.354 -7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.523 -4.763 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.505 -4.513 -9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.683 -5.256 -10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.650 -5.007 -12.142 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.933 -5.428 -13.364 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.837 -4.035 -4.687 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.830 -3.406 -3.377 1.00 0.00 C ATOM 1394 C ASN A 90 -5.704 -1.891 -3.545 1.00 0.00 C ATOM 1395 O ASN A 90 -5.304 -1.411 -4.604 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.644 -3.890 -2.541 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.579 -5.418 -2.513 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.559 -6.083 -3.536 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.546 -5.936 -1.289 1.00 0.00 N ATOM 0 H ASN A 90 -5.011 -3.847 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.759 -3.669 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.717 -3.491 -2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.731 -3.508 -1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.501 -6.947 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.566 -5.322 -0.475 1.00 0.00 H new ATOM 1406 N THR A 91 -6.054 -1.179 -2.483 1.00 0.00 N ATOM 1407 CA THR A 91 -5.985 0.272 -2.499 1.00 0.00 C ATOM 1408 C THR A 91 -5.280 0.787 -1.243 1.00 0.00 C ATOM 1409 O THR A 91 -5.076 0.036 -0.290 1.00 0.00 O ATOM 1410 CB THR A 91 -7.408 0.811 -2.661 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.234 -0.226 -2.139 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.829 0.920 -4.128 1.00 0.00 C ATOM 0 H THR A 91 -6.386 -1.581 -1.606 1.00 0.00 H new ATOM 0 HA THR A 91 -5.388 0.630 -3.338 1.00 0.00 H new ATOM 0 HB THR A 91 -7.481 1.791 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.049 0.165 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.846 1.307 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.153 1.596 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.789 -0.065 -4.592 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.928 2.063 -1.281 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.250 2.687 -0.158 1.00 0.00 C ATOM 1422 C TYR A 92 -4.637 4.162 -0.034 1.00 0.00 C ATOM 1423 O TYR A 92 -4.635 4.893 -1.022 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.753 2.588 -0.460 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.251 1.157 -0.659 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.397 0.228 0.352 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.653 0.794 -1.848 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.924 -1.119 0.166 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -1.181 -0.554 -2.035 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.339 -1.444 -1.019 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.893 -2.716 -1.195 1.00 0.00 O ATOM 0 H TYR A 92 -5.100 2.683 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.521 2.194 0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.535 3.167 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.197 3.047 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.866 0.512 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.539 1.521 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.031 -1.855 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.712 -0.851 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.499 -2.804 -2.088 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.961 4.555 1.190 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.350 5.929 1.456 1.00 0.00 C ATOM 1443 C ILE A 93 -4.602 6.436 2.691 1.00 0.00 C ATOM 1444 O ILE A 93 -4.421 5.697 3.658 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.871 6.043 1.568 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.546 5.700 0.238 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.281 7.426 2.079 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -9.002 5.282 0.454 1.00 0.00 C ATOM 0 H ILE A 93 -4.962 3.945 2.008 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.066 6.573 0.624 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.215 5.314 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.506 6.563 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.001 4.894 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.367 7.481 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.845 7.594 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.923 8.190 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.458 5.044 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.037 4.405 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.550 6.100 0.923 1.00 0.00 H new ATOM 1460 N SER A 94 -4.189 7.693 2.619 1.00 0.00 N ATOM 1461 CA SER A 94 -3.465 8.307 3.719 1.00 0.00 C ATOM 1462 C SER A 94 -4.422 8.597 4.877 1.00 0.00 C ATOM 1463 O SER A 94 -5.543 9.056 4.661 1.00 0.00 O ATOM 1464 CB SER A 94 -2.769 9.593 3.271 1.00 0.00 C ATOM 1465 OG SER A 94 -1.816 10.046 4.228 1.00 0.00 O ATOM 0 H SER A 94 -4.342 8.303 1.816 1.00 0.00 H new ATOM 0 HA SER A 94 -2.698 7.610 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.271 9.422 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.515 10.370 3.106 1.00 0.00 H new ATOM 0 HG SER A 94 -1.392 10.868 3.904 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.945 8.317 6.081 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.744 8.542 7.274 1.00 0.00 C ATOM 1473 C LYS A 95 -5.045 10.037 7.406 1.00 0.00 C ATOM 1474 O LYS A 95 -6.156 10.478 7.117 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.055 7.942 8.501 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.064 7.219 9.397 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.801 7.522 10.873 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.026 7.189 11.728 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.617 6.845 13.108 1.00 0.00 N ATOM 0 H LYS A 95 -3.015 7.936 6.256 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.703 8.029 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.280 7.244 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.560 8.731 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.076 7.527 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.003 6.144 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.944 6.945 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.545 8.575 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.707 8.040 11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.570 6.355 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.460 6.622 13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.985 6.019 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.118 7.652 13.533 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.034 10.774 7.843 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.177 12.210 8.018 1.00 0.00 C ATOM 1495 C LYS A 96 -4.930 12.792 6.820 1.00 0.00 C ATOM 1496 O LYS A 96 -5.637 13.790 6.953 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.812 12.858 8.260 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.727 13.446 9.670 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.392 14.161 9.886 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.336 14.811 11.270 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.570 16.076 11.218 1.00 0.00 N ATOM 0 H LYS A 96 -3.114 10.404 8.081 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.770 12.429 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.024 12.117 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.643 13.644 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.548 14.146 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.841 12.651 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.573 13.449 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.254 14.921 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.347 15.006 11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.872 14.127 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.542 16.504 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.400 15.882 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.029 16.733 10.555 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.753 12.144 5.678 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.408 12.586 4.458 1.00 0.00 C ATOM 1517 C HIS A 97 -6.245 11.442 3.882 1.00 0.00 C ATOM 1518 O HIS A 97 -6.022 11.014 2.751 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.385 13.133 3.461 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.248 13.893 4.101 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.461 13.584 5.172 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.814 15.123 3.639 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.593 14.572 5.354 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.810 15.527 4.404 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.166 11.317 5.572 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.087 13.409 4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.975 12.303 2.885 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.895 13.789 2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.224 15.662 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.839 14.613 6.127 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.291 16.399 4.301 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.190 10.979 4.687 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.061 9.893 4.272 1.00 0.00 C ATOM 1534 C ALA A 98 -9.359 10.474 3.708 1.00 0.00 C ATOM 1535 O ALA A 98 -9.736 10.178 2.575 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.308 8.955 5.455 1.00 0.00 C ATOM 0 H ALA A 98 -7.371 11.336 5.625 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.592 9.305 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.962 8.140 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.358 8.546 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.781 9.509 6.266 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.008 11.291 4.524 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.257 11.916 4.121 1.00 0.00 C ATOM 1544 C GLU A 99 -11.070 12.675 2.806 1.00 0.00 C ATOM 1545 O GLU A 99 -12.040 12.958 2.105 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.785 12.842 5.218 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.443 12.041 6.343 1.00 0.00 C ATOM 1548 CD GLU A 99 -11.471 11.829 7.506 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -10.543 11.010 7.329 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -11.677 12.492 8.546 1.00 0.00 O ATOM 0 H GLU A 99 -9.693 11.535 5.463 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.999 11.133 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.966 13.437 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.507 13.540 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.330 12.566 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.775 11.076 5.961 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.815 12.982 2.510 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.489 13.702 1.291 1.00 0.00 C ATOM 1559 C LYS A 100 -9.616 12.756 0.095 1.00 0.00 C ATOM 1560 O LYS A 100 -9.451 13.173 -1.050 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.113 14.362 1.411 1.00 0.00 C ATOM 1562 CG LYS A 100 -8.077 15.346 2.581 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.387 16.651 2.179 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.383 17.092 3.247 1.00 0.00 C ATOM 1565 NZ LYS A 100 -6.270 18.568 3.274 1.00 0.00 N ATOM 0 H LYS A 100 -9.012 12.745 3.093 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.195 14.517 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.350 13.597 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.874 14.884 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.093 15.556 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.550 14.896 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.875 16.517 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.134 17.431 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.699 16.728 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.408 16.650 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.585 18.850 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.947 18.908 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.198 18.983 3.491 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.908 11.501 0.403 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.058 10.493 -0.632 1.00 0.00 C ATOM 1581 C ASN A 101 -8.867 10.568 -1.589 1.00 0.00 C ATOM 1582 O ASN A 101 -9.028 10.900 -2.762 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.333 10.725 -1.446 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.370 11.501 -0.631 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.904 11.025 0.357 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.624 12.719 -1.100 1.00 0.00 N ATOM 0 H ASN A 101 -10.045 11.159 1.354 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.111 9.518 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.093 11.276 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.751 9.767 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.302 13.317 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.141 13.056 -1.933 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.697 10.254 -1.052 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.479 10.282 -1.843 1.00 0.00 C ATOM 1595 C TRP A 102 -5.996 8.841 -2.019 1.00 0.00 C ATOM 1596 O TRP A 102 -6.034 8.051 -1.077 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.428 11.190 -1.200 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.737 12.684 -1.323 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.788 13.262 -1.920 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.941 13.772 -0.809 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.727 14.638 -1.829 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.568 14.957 -1.131 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.730 13.754 -0.095 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.060 16.214 -0.781 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.235 15.018 0.248 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -3.854 16.221 -0.069 1.00 0.00 C ATOM 0 H TRP A 102 -7.567 9.979 -0.078 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.669 10.708 -2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.338 10.934 -0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.460 10.991 -1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.583 12.720 -2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.407 15.299 -2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.222 12.838 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.570 17.128 -1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.306 15.061 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.407 17.157 0.232 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.554 8.543 -3.232 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.064 7.211 -3.543 1.00 0.00 C ATOM 1619 C PHE A 103 -3.618 7.260 -4.040 1.00 0.00 C ATOM 1620 O PHE A 103 -3.202 8.240 -4.655 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.955 6.656 -4.657 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.444 6.627 -4.307 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.949 5.603 -3.568 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -8.263 7.625 -4.735 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.331 5.576 -3.243 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.645 7.598 -4.410 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.150 6.574 -3.671 1.00 0.00 C ATOM 0 H PHE A 103 -5.525 9.201 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.092 6.587 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.815 7.259 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.629 5.644 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.299 4.810 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.862 8.438 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.732 4.763 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.295 8.391 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.201 6.553 -3.424 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.891 6.190 -3.753 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.500 6.099 -4.163 1.00 0.00 C ATOM 1639 C VAL A 104 -1.420 5.425 -5.534 1.00 0.00 C ATOM 1640 O VAL A 104 -1.341 4.200 -5.624 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.685 5.372 -3.091 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.809 5.412 -3.417 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.960 5.956 -1.704 1.00 0.00 C ATOM 0 H VAL A 104 -3.239 5.379 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.066 7.094 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.998 4.328 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.365 4.888 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.985 4.928 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.143 6.448 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.369 5.422 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.689 7.012 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.019 5.851 -1.469 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.442 6.253 -6.568 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.373 5.753 -7.930 1.00 0.00 C ATOM 1655 C GLY A 105 -0.246 6.435 -8.708 1.00 0.00 C ATOM 1656 O GLY A 105 0.295 7.447 -8.265 1.00 0.00 O ATOM 0 H GLY A 105 -1.507 7.268 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.211 4.675 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.324 5.926 -8.433 1.00 0.00 H new ATOM 1660 N LEU A 106 0.074 5.853 -9.855 1.00 0.00 N ATOM 1661 CA LEU A 106 1.127 6.392 -10.699 1.00 0.00 C ATOM 1662 C LEU A 106 0.597 6.558 -12.124 1.00 0.00 C ATOM 1663 O LEU A 106 -0.040 5.654 -12.663 1.00 0.00 O ATOM 1664 CB LEU A 106 2.384 5.525 -10.607 1.00 0.00 C ATOM 1665 CG LEU A 106 2.959 5.323 -9.203 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.437 3.883 -9.009 1.00 0.00 C ATOM 1667 CD2 LEU A 106 4.066 6.339 -8.912 1.00 0.00 C ATOM 0 H LEU A 106 -0.377 5.014 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 106 1.425 7.381 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.158 4.546 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.156 5.972 -11.233 1.00 0.00 H new ATOM 0 HG LEU A 106 2.163 5.499 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.841 3.766 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.599 3.200 -9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.213 3.655 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.457 6.173 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.869 6.220 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.661 7.348 -8.981 1.00 0.00 H new ATOM 1679 N LYS A 107 0.880 7.720 -12.695 1.00 0.00 N ATOM 1680 CA LYS A 107 0.440 8.016 -14.048 1.00 0.00 C ATOM 1681 C LYS A 107 0.947 6.926 -14.994 1.00 0.00 C ATOM 1682 O LYS A 107 1.494 5.918 -14.550 1.00 0.00 O ATOM 1683 CB LYS A 107 0.865 9.428 -14.453 1.00 0.00 C ATOM 1684 CG LYS A 107 0.062 10.483 -13.689 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.520 11.527 -14.645 1.00 0.00 C ATOM 1686 CE LYS A 107 0.525 12.587 -15.001 1.00 0.00 C ATOM 1687 NZ LYS A 107 0.577 12.791 -16.466 1.00 0.00 N ATOM 0 H LYS A 107 1.409 8.468 -12.245 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.648 8.007 -14.105 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.929 9.562 -14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.720 9.562 -15.525 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.744 10.001 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.703 10.973 -12.956 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.871 11.038 -15.554 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.385 12.004 -14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.282 13.527 -14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.504 12.278 -14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.291 13.513 -16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.831 11.897 -16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.354 13.107 -16.806 1.00 0.00 H new ATOM 1701 N LYS A 108 0.747 7.165 -16.282 1.00 0.00 N ATOM 1702 CA LYS A 108 1.176 6.216 -17.295 1.00 0.00 C ATOM 1703 C LYS A 108 2.568 6.608 -17.797 1.00 0.00 C ATOM 1704 O LYS A 108 3.203 5.850 -18.529 1.00 0.00 O ATOM 1705 CB LYS A 108 0.130 6.108 -18.406 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.198 4.644 -18.709 1.00 0.00 C ATOM 1707 CD LYS A 108 -1.450 4.532 -19.581 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.088 4.565 -21.067 1.00 0.00 C ATOM 1709 NZ LYS A 108 -2.293 4.817 -21.889 1.00 0.00 N ATOM 0 H LYS A 108 0.293 8.002 -16.647 1.00 0.00 H new ATOM 0 HA LYS A 108 1.259 5.216 -16.869 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.777 6.634 -18.109 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.500 6.596 -19.308 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.646 4.176 -19.216 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.350 4.101 -17.776 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.976 3.605 -19.352 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.132 5.350 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.347 5.343 -21.250 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.634 3.618 -21.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.029 4.836 -22.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.988 4.060 -21.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.710 5.732 -21.623 1.00 0.00 H new ATOM 1723 N ASN A 109 3.000 7.790 -17.384 1.00 0.00 N ATOM 1724 CA ASN A 109 4.304 8.292 -17.782 1.00 0.00 C ATOM 1725 C ASN A 109 5.344 7.881 -16.738 1.00 0.00 C ATOM 1726 O ASN A 109 6.405 8.495 -16.639 1.00 0.00 O ATOM 1727 CB ASN A 109 4.303 9.819 -17.873 1.00 0.00 C ATOM 1728 CG ASN A 109 4.722 10.286 -19.269 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.540 9.600 -20.261 1.00 0.00 O ATOM 1730 ND2 ASN A 109 5.292 11.487 -19.288 1.00 0.00 N ATOM 0 H ASN A 109 2.470 8.415 -16.777 1.00 0.00 H new ATOM 0 HA ASN A 109 4.542 7.873 -18.760 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.308 10.200 -17.642 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.984 10.232 -17.128 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.608 11.888 -20.171 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.414 12.008 -18.419 1.00 0.00 H new ATOM 1737 N GLY A 110 5.003 6.845 -15.986 1.00 0.00 N ATOM 1738 CA GLY A 110 5.895 6.345 -14.953 1.00 0.00 C ATOM 1739 C GLY A 110 6.111 7.395 -13.861 1.00 0.00 C ATOM 1740 O GLY A 110 7.188 7.468 -13.271 1.00 0.00 O ATOM 0 H GLY A 110 4.122 6.338 -16.071 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.477 5.439 -14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.853 6.072 -15.395 1.00 0.00 H new ATOM 1744 N SER A 111 5.071 8.180 -13.624 1.00 0.00 N ATOM 1745 CA SER A 111 5.134 9.222 -12.614 1.00 0.00 C ATOM 1746 C SER A 111 4.054 8.990 -11.555 1.00 0.00 C ATOM 1747 O SER A 111 3.131 8.205 -11.766 1.00 0.00 O ATOM 1748 CB SER A 111 4.973 10.608 -13.241 1.00 0.00 C ATOM 1749 OG SER A 111 6.159 11.389 -13.121 1.00 0.00 O ATOM 0 H SER A 111 4.179 8.115 -14.115 1.00 0.00 H new ATOM 0 HA SER A 111 6.115 9.179 -12.140 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.714 10.502 -14.294 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.145 11.129 -12.760 1.00 0.00 H new ATOM 0 HG SER A 111 6.017 12.266 -13.535 1.00 0.00 H new ATOM 1755 N CYS A 112 4.206 9.686 -10.438 1.00 0.00 N ATOM 1756 CA CYS A 112 3.256 9.565 -9.345 1.00 0.00 C ATOM 1757 C CYS A 112 1.994 10.346 -9.718 1.00 0.00 C ATOM 1758 O CYS A 112 2.077 11.477 -10.195 1.00 0.00 O ATOM 1759 CB CYS A 112 3.853 10.045 -8.021 1.00 0.00 C ATOM 1760 SG CYS A 112 4.462 11.762 -8.194 1.00 0.00 S ATOM 0 H CYS A 112 4.973 10.336 -10.266 1.00 0.00 H new ATOM 0 HA CYS A 112 3.002 8.516 -9.194 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.100 9.995 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.671 9.389 -7.722 1.00 0.00 H new ATOM 0 HG CYS A 112 3.739 12.392 -9.072 1.00 0.00 H new ATOM 1766 N LYS A 113 0.854 9.711 -9.488 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.423 10.331 -9.794 1.00 0.00 C ATOM 1768 C LYS A 113 -0.930 11.080 -8.560 1.00 0.00 C ATOM 1769 O LYS A 113 -1.271 10.464 -7.551 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.409 9.291 -10.330 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.615 9.966 -10.987 1.00 0.00 C ATOM 1772 CD LYS A 113 -3.789 8.993 -11.109 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.447 9.098 -12.486 1.00 0.00 C ATOM 1774 NZ LYS A 113 -3.891 8.080 -13.405 1.00 0.00 N ATOM 0 H LYS A 113 0.789 8.773 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.308 11.067 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.908 8.649 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.746 8.650 -9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.916 10.833 -10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.337 10.332 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.440 7.974 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.525 9.206 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.524 8.962 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.286 10.094 -12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.348 8.165 -14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.867 8.228 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.067 7.131 -13.019 1.00 0.00 H new ATOM 1788 N ARG A 114 -0.963 12.399 -8.680 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.423 13.239 -7.586 1.00 0.00 C ATOM 1790 C ARG A 114 -2.586 12.567 -6.854 1.00 0.00 C ATOM 1791 O ARG A 114 -3.508 12.053 -7.485 1.00 0.00 O ATOM 1792 CB ARG A 114 -1.874 14.609 -8.096 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.772 15.654 -7.908 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.055 15.939 -9.229 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.669 17.110 -9.895 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.113 17.766 -10.923 1.00 0.00 C ATOM 1797 NH1 ARG A 114 1.071 17.370 -11.409 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -0.742 18.818 -11.465 1.00 0.00 N ATOM 0 H ARG A 114 -0.679 12.907 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.588 13.376 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.138 14.539 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.772 14.922 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.203 16.576 -7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.053 15.301 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.003 16.128 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.115 15.067 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.571 17.438 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.549 16.569 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.494 17.869 -12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.644 19.119 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.319 19.317 -12.247 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.504 12.593 -5.531 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.539 11.993 -4.706 1.00 0.00 C ATOM 1814 C GLY A 115 -4.910 12.593 -5.022 1.00 0.00 C ATOM 1815 O GLY A 115 -5.863 11.865 -5.294 1.00 0.00 O ATOM 0 H GLY A 115 -1.737 13.020 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.563 10.916 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.305 12.148 -3.653 1.00 0.00 H new ATOM 1819 N PRO A 116 -4.967 13.951 -4.976 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.206 14.658 -5.255 1.00 0.00 C ATOM 1821 C PRO A 116 -6.510 14.662 -6.754 1.00 0.00 C ATOM 1822 O PRO A 116 -7.039 15.639 -7.281 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.000 16.053 -4.687 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.497 16.220 -4.529 1.00 0.00 C ATOM 1825 CD PRO A 116 -3.859 14.847 -4.658 1.00 0.00 C ATOM 0 HA PRO A 116 -7.074 14.181 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.409 16.811 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.508 16.164 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.106 16.896 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.262 16.661 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.102 14.834 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.364 14.552 -3.733 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.162 13.558 -7.399 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.391 13.421 -8.827 1.00 0.00 C ATOM 1835 C ARG A 117 -6.797 11.986 -9.165 1.00 0.00 C ATOM 1836 O ARG A 117 -6.685 11.559 -10.313 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.137 13.790 -9.623 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.869 15.295 -9.557 1.00 0.00 C ATOM 1839 CD ARG A 117 -4.933 15.925 -10.950 1.00 0.00 C ATOM 1840 NE ARG A 117 -3.632 15.767 -11.638 1.00 0.00 N ATOM 1841 CZ ARG A 117 -3.459 15.910 -12.958 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -4.501 16.216 -13.742 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -2.242 15.747 -13.496 1.00 0.00 N ATOM 0 H ARG A 117 -5.723 12.750 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.196 14.103 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.278 13.246 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.258 13.484 -10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.602 15.770 -8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.888 15.474 -9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.723 15.454 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.184 16.982 -10.869 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.816 15.535 -11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.427 16.340 -13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.368 16.325 -14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -1.448 15.514 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -2.110 15.856 -14.502 1.00 0.00 H new ATOM 1857 N THR A 118 -7.261 11.280 -8.144 1.00 0.00 N ATOM 1858 CA THR A 118 -7.684 9.901 -8.318 1.00 0.00 C ATOM 1859 C THR A 118 -9.166 9.750 -7.969 1.00 0.00 C ATOM 1860 O THR A 118 -9.753 10.631 -7.343 1.00 0.00 O ATOM 1861 CB THR A 118 -6.768 9.014 -7.473 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.465 9.814 -6.334 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.408 8.778 -8.135 1.00 0.00 C ATOM 0 H THR A 118 -7.353 11.638 -7.193 1.00 0.00 H new ATOM 0 HA THR A 118 -7.593 9.588 -9.358 1.00 0.00 H new ATOM 0 HB THR A 118 -7.255 8.056 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.800 10.491 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.797 8.143 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.552 8.290 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.905 9.734 -8.284 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.729 8.626 -8.389 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.131 8.349 -8.128 1.00 0.00 C ATOM 1873 C HIS A 119 -11.332 6.842 -7.955 1.00 0.00 C ATOM 1874 O HIS A 119 -10.451 6.052 -8.290 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.016 8.943 -9.226 1.00 0.00 C ATOM 1876 CG HIS A 119 -13.466 9.095 -8.832 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -14.510 8.670 -9.635 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -14.033 9.628 -7.712 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -15.650 8.941 -9.017 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -15.352 9.535 -7.825 1.00 0.00 N ATOM 0 H HIS A 119 -9.239 7.897 -8.908 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.434 8.830 -7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.622 9.920 -9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -11.955 8.309 -10.110 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.499 10.054 -6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -16.641 8.729 -9.391 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -16.031 9.855 -7.135 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.498 6.489 -7.432 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.826 5.091 -7.210 1.00 0.00 C ATOM 1890 C TYR A 120 -13.402 4.456 -8.477 1.00 0.00 C ATOM 1891 O TYR A 120 -14.485 4.829 -8.926 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.894 5.078 -6.116 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.387 3.677 -5.745 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.479 2.690 -5.418 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.739 3.402 -5.736 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -13.943 1.373 -5.069 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.203 2.084 -5.387 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.282 1.134 -5.070 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.720 -0.110 -4.740 1.00 0.00 O ATOM 0 H TYR A 120 -13.227 7.147 -7.156 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.936 4.527 -6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.492 5.559 -5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.744 5.676 -6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.421 2.906 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.449 4.175 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.243 0.592 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.258 1.855 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.699 -0.134 -4.782 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.653 3.507 -9.018 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.076 2.816 -10.225 1.00 0.00 C ATOM 1911 C GLY A 121 -11.940 2.756 -11.249 1.00 0.00 C ATOM 1912 O GLY A 121 -12.016 2.007 -12.222 1.00 0.00 O ATOM 0 H GLY A 121 -11.756 3.200 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.399 1.805 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.935 3.327 -10.659 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.914 3.554 -10.995 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.765 3.602 -11.882 1.00 0.00 C ATOM 1918 C GLN A 122 -8.821 2.433 -11.592 1.00 0.00 C ATOM 1919 O GLN A 122 -8.904 1.812 -10.533 1.00 0.00 O ATOM 1920 CB GLN A 122 -9.033 4.940 -11.761 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.990 6.111 -11.995 1.00 0.00 C ATOM 1922 CD GLN A 122 -9.229 7.358 -12.449 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -9.247 8.354 -11.567 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -8.663 7.414 -13.528 1.00 0.00 N flip ATOM 0 H GLN A 122 -10.855 4.173 -10.187 1.00 0.00 H new ATOM 0 HA GLN A 122 -10.120 3.511 -12.909 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.584 5.025 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.219 4.980 -12.485 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.729 5.837 -12.748 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.536 6.328 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.688 6.613 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.165 8.262 -13.799 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.947 2.167 -12.551 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.989 1.084 -12.411 1.00 0.00 C ATOM 1935 C LYS A 123 -5.720 1.614 -11.741 1.00 0.00 C ATOM 1936 O LYS A 123 -4.772 0.863 -11.516 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.736 0.414 -13.763 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.891 -0.850 -13.599 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.322 -1.930 -14.594 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.448 -2.790 -14.017 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.077 -3.603 -15.081 1.00 0.00 N ATOM 0 H LYS A 123 -7.882 2.683 -13.428 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.389 0.303 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.687 0.161 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.228 1.111 -14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.838 -0.610 -13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.989 -1.228 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.655 -1.463 -15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.469 -2.561 -14.843 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.053 -3.442 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.197 -2.152 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.839 -4.181 -14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.472 -2.975 -15.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.363 -4.226 -15.510 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.742 2.905 -11.441 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.605 3.545 -10.801 1.00 0.00 C ATOM 1957 C ALA A 124 -4.588 3.177 -9.316 1.00 0.00 C ATOM 1958 O ALA A 124 -3.634 2.568 -8.835 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.676 5.056 -11.027 1.00 0.00 C ATOM 0 H ALA A 124 -6.530 3.525 -11.630 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.670 3.194 -11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.823 5.536 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.656 5.265 -12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.600 5.445 -10.599 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.654 3.563 -8.632 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.774 3.282 -7.211 1.00 0.00 C ATOM 1967 C ILE A 125 -5.552 1.787 -6.971 1.00 0.00 C ATOM 1968 O ILE A 125 -5.123 1.385 -5.891 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.109 3.800 -6.673 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.239 2.809 -6.963 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.417 5.195 -7.219 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.573 3.325 -6.421 1.00 0.00 C ATOM 0 H ILE A 125 -6.443 4.068 -9.035 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.004 3.813 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.028 3.889 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.318 2.646 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.007 1.845 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.371 5.539 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.629 5.885 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.471 5.156 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.359 2.602 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.498 3.464 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.814 4.277 -6.893 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.855 1.004 -7.996 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.694 -0.437 -7.910 1.00 0.00 C ATOM 1986 C LEU A 126 -4.203 -0.781 -7.919 1.00 0.00 C ATOM 1987 O LEU A 126 -3.541 -0.665 -8.949 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.491 -1.132 -9.016 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.989 -0.820 -9.061 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.612 -1.310 -10.369 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.705 -1.390 -7.835 1.00 0.00 C ATOM 0 H LEU A 126 -6.211 1.341 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.102 -0.810 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.054 -0.860 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.368 -2.209 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.114 0.262 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.677 -1.076 -10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.127 -0.816 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.477 -2.388 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.768 -1.154 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.574 -2.472 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.284 -0.951 -6.931 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.718 -1.197 -6.758 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.317 -1.559 -6.619 1.00 0.00 C ATOM 2005 C PHE A 127 -2.165 -3.043 -6.279 1.00 0.00 C ATOM 2006 O PHE A 127 -2.763 -3.528 -5.320 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.752 -0.724 -5.468 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.969 0.510 -5.920 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.246 1.089 -7.119 1.00 0.00 C ATOM 2010 CD2 PHE A 127 0.004 1.028 -5.123 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.519 2.235 -7.539 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.730 2.173 -5.543 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.454 2.753 -6.742 1.00 0.00 C ATOM 0 H PHE A 127 -4.270 -1.291 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.790 -1.372 -7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.574 -0.405 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.100 -1.353 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.019 0.678 -7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.224 0.568 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.739 2.695 -8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.502 2.584 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.007 3.624 -7.061 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.362 -3.722 -7.085 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.124 -5.141 -6.882 1.00 0.00 C ATOM 2025 C LEU A 128 0.292 -5.343 -6.339 1.00 0.00 C ATOM 2026 O LEU A 128 1.271 -5.045 -7.021 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.407 -5.921 -8.167 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.252 -7.187 -8.011 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.636 -6.857 -7.450 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.336 -7.956 -9.331 1.00 0.00 C ATOM 0 H LEU A 128 -0.868 -3.316 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.812 -5.540 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.911 -5.256 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.454 -6.197 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.760 -7.839 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.216 -7.774 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.530 -6.386 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -4.150 -6.175 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.942 -8.851 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.792 -7.323 -10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.334 -8.242 -9.650 1.00 0.00 H new ATOM 2042 N PRO A 129 0.357 -5.863 -5.084 1.00 0.00 N ATOM 2043 CA PRO A 129 1.637 -6.109 -4.441 1.00 0.00 C ATOM 2044 C PRO A 129 2.316 -7.349 -5.027 1.00 0.00 C ATOM 2045 O PRO A 129 1.762 -8.446 -4.977 1.00 0.00 O ATOM 2046 CB PRO A 129 1.315 -6.252 -2.963 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.175 -6.543 -2.888 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.781 -6.229 -4.246 1.00 0.00 C ATOM 0 HA PRO A 129 2.350 -5.301 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.894 -7.059 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.563 -5.340 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.347 -7.587 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.643 -5.938 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.311 -7.091 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.502 -5.414 -4.179 1.00 0.00 H new ATOM 2056 N LEU A 130 3.505 -7.133 -5.570 1.00 0.00 N ATOM 2057 CA LEU A 130 4.265 -8.219 -6.165 1.00 0.00 C ATOM 2058 C LEU A 130 5.294 -8.729 -5.155 1.00 0.00 C ATOM 2059 O LEU A 130 5.980 -7.938 -4.509 1.00 0.00 O ATOM 2060 CB LEU A 130 4.876 -7.778 -7.497 1.00 0.00 C ATOM 2061 CG LEU A 130 3.913 -7.694 -8.682 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.305 -9.064 -8.993 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.839 -6.631 -8.442 1.00 0.00 C ATOM 0 H LEU A 130 3.961 -6.221 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 130 3.610 -9.057 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.335 -6.799 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.677 -8.471 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 130 4.479 -7.386 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.624 -8.976 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.100 -9.768 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.757 -9.425 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.168 -6.592 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.270 -6.884 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.313 -5.659 -8.308 1.00 0.00 H new ATOM 2075 N PRO A 131 5.371 -10.082 -5.046 1.00 0.00 N ATOM 2076 CA PRO A 131 6.305 -10.708 -4.125 1.00 0.00 C ATOM 2077 C PRO A 131 7.736 -10.634 -4.662 1.00 0.00 C ATOM 2078 O PRO A 131 8.101 -11.379 -5.570 1.00 0.00 O ATOM 2079 CB PRO A 131 5.803 -12.133 -3.964 1.00 0.00 C ATOM 2080 CG PRO A 131 4.888 -12.390 -5.150 1.00 0.00 C ATOM 2081 CD PRO A 131 4.574 -11.050 -5.795 1.00 0.00 C ATOM 0 HA PRO A 131 6.347 -10.204 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.633 -12.840 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.266 -12.254 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.370 -13.055 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 131 3.971 -12.882 -4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.839 -11.048 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.510 -10.820 -5.733 1.00 0.00 H new ATOM 2089 N VAL A 132 8.508 -9.730 -4.077 1.00 0.00 N ATOM 2090 CA VAL A 132 9.890 -9.550 -4.485 1.00 0.00 C ATOM 2091 C VAL A 132 10.804 -10.324 -3.532 1.00 0.00 C ATOM 2092 O VAL A 132 12.025 -10.289 -3.671 1.00 0.00 O ATOM 2093 CB VAL A 132 10.226 -8.059 -4.554 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.741 -7.549 -3.206 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.234 -7.774 -5.669 1.00 0.00 C ATOM 0 H VAL A 132 8.202 -9.114 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 132 10.047 -9.952 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 132 9.308 -7.520 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.972 -6.487 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.976 -7.700 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.642 -8.097 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.455 -6.707 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.152 -8.330 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 132 10.814 -8.082 -6.627 1.00 0.00 H new