USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 661 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 36 SER OG : rot -120:sc= 0.691 USER MOD Set 1.2: A 51 GLN : amide:sc= 0.774 X(o=1.5,f=1.4) USER MOD Set 2.1: A 24 THR OG1 : rot 38:sc= 1.13 USER MOD Set 2.2: A 98 THR OG1 : rot -40:sc= 0.0456 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.189) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= -0.126 (180deg=-0.305) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.897 F(o=-1.9!,f=-0.9) USER MOD Single : A 31 ASN :FLIP amide:sc= -2.66! C(o=-3.8!,f=-2.7!) USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 56 THR OG1 : rot -64:sc= 1.3 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00551 USER MOD Single : A 71 THR OG1 : rot -27:sc= 0.497 USER MOD Single : A 74 ASN : amide:sc= -1.35! C(o=-1.3!,f=-4.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0485) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -2.67 (180deg=-3.56!) USER MOD Single : A 82 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 83 LYS NZ :NH3+ 137:sc= -1.15 (180deg=-3.17!) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.396 (180deg=0.376) USER MOD Single : A 89 MET CE :methyl -155:sc= -0.508 (180deg=-1.17) USER MOD Single : A 91 GLN : amide:sc= 0.215 X(o=0.22,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0.39 (180deg=0.35) USER MOD Single : A 100 HIS : no HD1:sc= -0.953 X(o=-0.95,f=-0.58) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.9!) USER MOD Single : A 109 LYS NZ :NH3+ 179:sc= 0.944 (180deg=0.877) USER MOD Single : A 110 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.38) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 2.384 5.717 8.479 1.00 0.00 N ATOM 113 CA LYS A 22 1.159 4.947 8.566 1.00 0.00 C ATOM 114 C LYS A 22 -0.035 5.823 8.201 1.00 0.00 C ATOM 115 O LYS A 22 -0.511 6.635 8.998 1.00 0.00 O ATOM 116 CB LYS A 22 0.982 4.307 9.961 1.00 0.00 C ATOM 117 CG LYS A 22 0.828 5.281 11.126 1.00 0.00 C ATOM 118 CD LYS A 22 2.144 5.920 11.536 1.00 0.00 C ATOM 119 CE LYS A 22 1.945 6.918 12.668 1.00 0.00 C ATOM 120 NZ LYS A 22 1.373 6.281 13.883 1.00 0.00 N ATOM 0 HA LYS A 22 1.221 4.127 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.105 3.661 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.843 3.668 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.120 6.063 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.403 4.754 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.844 5.146 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.589 6.424 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.901 7.378 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.284 7.718 12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.442 6.939 14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.374 6.045 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.902 5.412 14.101 1.00 0.00 H new ATOM 134 N VAL A 23 -0.505 5.678 6.976 1.00 0.00 N ATOM 135 CA VAL A 23 -1.617 6.483 6.508 1.00 0.00 C ATOM 136 C VAL A 23 -2.764 5.590 6.062 1.00 0.00 C ATOM 137 O VAL A 23 -2.545 4.483 5.565 1.00 0.00 O ATOM 138 CB VAL A 23 -1.201 7.446 5.367 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.144 8.417 5.856 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.680 6.691 4.159 1.00 0.00 C ATOM 0 H VAL A 23 -0.138 5.016 6.292 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.949 7.099 7.344 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.091 7.998 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.138 9.087 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.542 9.001 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.733 7.862 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.399 7.400 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.191 6.102 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.458 6.027 3.781 1.00 0.00 H new ATOM 150 N THR A 24 -3.982 6.051 6.272 1.00 0.00 N ATOM 151 CA THR A 24 -5.148 5.281 5.897 1.00 0.00 C ATOM 152 C THR A 24 -5.957 6.026 4.839 1.00 0.00 C ATOM 153 O THR A 24 -6.536 7.081 5.092 1.00 0.00 O ATOM 154 CB THR A 24 -6.024 4.920 7.127 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.166 4.157 6.718 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.478 6.160 7.885 1.00 0.00 C ATOM 0 H THR A 24 -4.188 6.954 6.700 1.00 0.00 H new ATOM 0 HA THR A 24 -4.803 4.340 5.469 1.00 0.00 H new ATOM 0 HB THR A 24 -5.408 4.323 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.910 3.546 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.088 5.862 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.606 6.711 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.066 6.796 7.223 1.00 0.00 H new ATOM 164 N LEU A 25 -5.951 5.484 3.635 1.00 0.00 N ATOM 165 CA LEU A 25 -6.672 6.082 2.525 1.00 0.00 C ATOM 166 C LEU A 25 -7.881 5.226 2.190 1.00 0.00 C ATOM 167 O LEU A 25 -8.285 4.364 2.975 1.00 0.00 O ATOM 168 CB LEU A 25 -5.775 6.212 1.278 1.00 0.00 C ATOM 169 CG LEU A 25 -4.531 7.097 1.415 1.00 0.00 C ATOM 170 CD1 LEU A 25 -4.863 8.400 2.123 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.418 6.353 2.131 1.00 0.00 C ATOM 0 H LEU A 25 -5.452 4.626 3.400 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.989 7.082 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.452 5.213 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.382 6.602 0.461 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.180 7.345 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.962 9.008 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.616 8.943 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.249 8.185 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.545 7.000 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.755 6.064 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.154 5.460 1.564 1.00 0.00 H new ATOM 183 N GLN A 26 -8.445 5.465 1.024 1.00 0.00 N ATOM 184 CA GLN A 26 -9.566 4.705 0.543 1.00 0.00 C ATOM 185 C GLN A 26 -9.298 4.260 -0.868 1.00 0.00 C ATOM 186 O GLN A 26 -8.657 4.971 -1.642 1.00 0.00 O ATOM 187 CB GLN A 26 -10.859 5.511 0.624 1.00 0.00 C ATOM 188 CG GLN A 26 -11.395 5.600 2.036 1.00 0.00 C ATOM 189 CD GLN A 26 -12.627 6.472 2.154 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.816 7.416 1.386 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.469 6.166 3.127 1.00 0.00 N ATOM 0 H GLN A 26 -8.133 6.196 0.385 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.694 3.828 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.682 6.516 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.611 5.053 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.633 4.597 2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.616 5.993 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.274 5.375 3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.314 6.721 3.264 1.00 0.00 H new ATOM 200 N LYS A 27 -9.772 3.069 -1.165 1.00 0.00 N ATOM 201 CA LYS A 27 -9.563 2.436 -2.464 1.00 0.00 C ATOM 202 C LYS A 27 -9.871 3.385 -3.612 1.00 0.00 C ATOM 203 O LYS A 27 -10.737 4.254 -3.514 1.00 0.00 O ATOM 204 CB LYS A 27 -10.467 1.217 -2.628 1.00 0.00 C ATOM 205 CG LYS A 27 -10.331 0.164 -1.550 1.00 0.00 C ATOM 206 CD LYS A 27 -8.927 -0.372 -1.498 1.00 0.00 C ATOM 207 CE LYS A 27 -8.896 -1.841 -1.150 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.392 -2.092 0.222 1.00 0.00 N ATOM 0 H LYS A 27 -10.317 2.504 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.513 2.146 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.503 1.554 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.256 0.756 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.598 0.591 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.029 -0.651 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.444 -0.218 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.352 0.188 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.505 -2.396 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.876 -2.215 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.323 -3.108 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.817 -1.555 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.385 -1.790 0.293 1.00 0.00 H new ATOM 222 N ASP A 28 -9.168 3.179 -4.703 1.00 0.00 N ATOM 223 CA ASP A 28 -9.385 3.937 -5.924 1.00 0.00 C ATOM 224 C ASP A 28 -10.546 3.312 -6.696 1.00 0.00 C ATOM 225 O ASP A 28 -11.130 2.332 -6.233 1.00 0.00 O ATOM 226 CB ASP A 28 -8.096 3.930 -6.764 1.00 0.00 C ATOM 227 CG ASP A 28 -8.172 4.799 -8.004 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.161 6.037 -7.872 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.264 4.242 -9.118 1.00 0.00 O ATOM 0 H ASP A 28 -8.428 2.481 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.636 4.972 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.267 4.269 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.873 2.906 -7.062 1.00 0.00 H new ATOM 234 N ALA A 29 -10.878 3.852 -7.861 1.00 0.00 N ATOM 235 CA ALA A 29 -11.918 3.271 -8.708 1.00 0.00 C ATOM 236 C ALA A 29 -11.556 1.838 -9.100 1.00 0.00 C ATOM 237 O ALA A 29 -12.412 1.043 -9.487 1.00 0.00 O ATOM 238 CB ALA A 29 -12.112 4.122 -9.950 1.00 0.00 C ATOM 0 H ALA A 29 -10.444 4.692 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.851 3.247 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.889 3.682 -10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.409 5.129 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.178 4.167 -10.510 1.00 0.00 H new ATOM 244 N GLN A 30 -10.275 1.523 -8.975 1.00 0.00 N ATOM 245 CA GLN A 30 -9.746 0.223 -9.298 1.00 0.00 C ATOM 246 C GLN A 30 -9.721 -0.671 -8.059 1.00 0.00 C ATOM 247 O GLN A 30 -9.079 -1.718 -8.045 1.00 0.00 O ATOM 248 CB GLN A 30 -8.350 0.435 -9.807 1.00 0.00 C ATOM 249 CG GLN A 30 -8.171 0.226 -11.296 1.00 0.00 C ATOM 250 CD GLN A 30 -6.711 0.256 -11.690 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.066 -0.896 -11.624 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.163 1.305 -12.031 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.570 2.180 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.368 -0.270 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.039 1.450 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.680 -0.242 -9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.607 -0.730 -11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.712 1.000 -11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.699 2.172 -12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.173 1.307 -12.276 1.00 0.00 H new ATOM 261 N ASN A 31 -10.388 -0.194 -7.014 1.00 0.00 N ATOM 262 CA ASN A 31 -10.532 -0.878 -5.723 1.00 0.00 C ATOM 263 C ASN A 31 -9.183 -1.216 -5.086 1.00 0.00 C ATOM 264 O ASN A 31 -9.077 -2.097 -4.232 1.00 0.00 O ATOM 265 CB ASN A 31 -11.446 -2.114 -5.823 1.00 0.00 C ATOM 266 CG ASN A 31 -10.795 -3.388 -6.339 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.275 -4.197 -5.434 1.00 0.00 O flip ATOM 268 ND2 ASN A 31 -10.790 -3.661 -7.538 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.861 0.709 -7.038 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.022 -0.171 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.859 -2.316 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.284 -1.869 -6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.201 -3.013 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.375 -4.535 -7.860 1.00 0.00 H new ATOM 275 N LEU A 32 -8.169 -0.465 -5.468 1.00 0.00 N ATOM 276 CA LEU A 32 -6.821 -0.654 -4.943 1.00 0.00 C ATOM 277 C LEU A 32 -6.223 0.667 -4.472 1.00 0.00 C ATOM 278 O LEU A 32 -6.946 1.649 -4.313 1.00 0.00 O ATOM 279 CB LEU A 32 -5.937 -1.302 -6.014 1.00 0.00 C ATOM 280 CG LEU A 32 -6.132 -0.762 -7.438 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.617 0.664 -7.585 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.460 -1.674 -8.447 1.00 0.00 C ATOM 0 H LEU A 32 -8.250 0.291 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.873 -1.315 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.893 -1.167 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.129 -2.375 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.204 -0.742 -7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.776 1.004 -8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.154 1.318 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.552 0.692 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.608 -1.277 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.393 -1.730 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.896 -2.671 -8.383 1.00 0.00 H new ATOM 294 N ILE A 33 -4.913 0.694 -4.251 1.00 0.00 N ATOM 295 CA ILE A 33 -4.252 1.889 -3.789 1.00 0.00 C ATOM 296 C ILE A 33 -3.522 2.618 -4.914 1.00 0.00 C ATOM 297 O ILE A 33 -3.393 3.840 -4.878 1.00 0.00 O ATOM 298 CB ILE A 33 -3.263 1.571 -2.658 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.017 0.052 -2.534 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.787 2.156 -1.361 1.00 0.00 C ATOM 301 CD1 ILE A 33 -1.959 -0.296 -1.512 1.00 0.00 C ATOM 0 H ILE A 33 -4.294 -0.105 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.034 2.547 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.299 2.025 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.951 -0.440 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.719 -0.342 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.089 1.934 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.890 3.236 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.759 1.719 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.833 -1.378 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.014 0.169 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.266 0.070 -0.532 1.00 0.00 H new ATOM 313 N GLY A 34 -3.066 1.867 -5.909 1.00 0.00 N ATOM 314 CA GLY A 34 -2.352 2.454 -7.029 1.00 0.00 C ATOM 315 C GLY A 34 -0.843 2.302 -6.924 1.00 0.00 C ATOM 316 O GLY A 34 -0.095 3.149 -7.418 1.00 0.00 O ATOM 0 H GLY A 34 -3.179 0.855 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.694 1.989 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.600 3.513 -7.095 1.00 0.00 H new ATOM 320 N ILE A 35 -0.389 1.223 -6.297 1.00 0.00 N ATOM 321 CA ILE A 35 1.045 0.991 -6.107 1.00 0.00 C ATOM 322 C ILE A 35 1.482 -0.341 -6.706 1.00 0.00 C ATOM 323 O ILE A 35 0.673 -1.083 -7.262 1.00 0.00 O ATOM 324 CB ILE A 35 1.440 1.024 -4.611 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.574 0.075 -3.781 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.355 2.433 -4.056 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.099 -1.338 -3.713 1.00 0.00 C ATOM 0 H ILE A 35 -0.989 0.494 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 35 1.556 1.802 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 35 2.474 0.686 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.490 0.469 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.432 0.058 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.638 2.427 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.032 3.084 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.334 2.802 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.428 -1.947 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.156 -1.754 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.092 -1.336 -3.264 1.00 0.00 H new ATOM 339 N SER A 36 2.767 -0.634 -6.587 1.00 0.00 N ATOM 340 CA SER A 36 3.309 -1.901 -7.042 1.00 0.00 C ATOM 341 C SER A 36 4.307 -2.455 -6.048 1.00 0.00 C ATOM 342 O SER A 36 5.228 -1.757 -5.624 1.00 0.00 O ATOM 343 CB SER A 36 3.946 -1.743 -8.414 1.00 0.00 C ATOM 344 OG SER A 36 2.938 -1.532 -9.377 1.00 0.00 O ATOM 0 H SER A 36 3.457 -0.005 -6.176 1.00 0.00 H new ATOM 0 HA SER A 36 2.488 -2.613 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.642 -0.904 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.523 -2.634 -8.664 1.00 0.00 H new ATOM 0 HG SER A 36 2.972 -2.245 -10.048 1.00 0.00 H new ATOM 350 N ILE A 37 4.117 -3.717 -5.689 1.00 0.00 N ATOM 351 CA ILE A 37 4.951 -4.351 -4.674 1.00 0.00 C ATOM 352 C ILE A 37 6.077 -5.173 -5.296 1.00 0.00 C ATOM 353 O ILE A 37 5.894 -5.860 -6.305 1.00 0.00 O ATOM 354 CB ILE A 37 4.111 -5.226 -3.707 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.126 -4.341 -2.932 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.003 -6.004 -2.745 1.00 0.00 C ATOM 357 CD1 ILE A 37 2.264 -5.095 -1.942 1.00 0.00 C ATOM 0 H ILE A 37 3.396 -4.321 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 37 5.404 -3.546 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 37 3.553 -5.953 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.686 -3.573 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.479 -3.827 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.383 -6.607 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.668 -6.656 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.596 -5.306 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.596 -4.398 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.674 -5.844 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.900 -5.587 -1.206 1.00 0.00 H new ATOM 369 N GLY A 38 7.245 -5.077 -4.680 1.00 0.00 N ATOM 370 CA GLY A 38 8.417 -5.789 -5.154 1.00 0.00 C ATOM 371 C GLY A 38 9.591 -5.646 -4.207 1.00 0.00 C ATOM 372 O GLY A 38 9.450 -5.078 -3.128 1.00 0.00 O ATOM 0 H GLY A 38 7.405 -4.510 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.175 -6.845 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.697 -5.412 -6.138 1.00 0.00 H new ATOM 514 N ILE A 49 7.229 -1.036 -2.131 1.00 0.00 N ATOM 515 CA ILE A 49 6.710 -0.104 -3.111 1.00 0.00 C ATOM 516 C ILE A 49 7.780 0.220 -4.165 1.00 0.00 C ATOM 517 O ILE A 49 8.849 0.760 -3.869 1.00 0.00 O ATOM 518 CB ILE A 49 6.075 1.153 -2.455 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.860 1.601 -3.271 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.066 2.296 -2.318 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.203 2.511 -4.431 1.00 0.00 C ATOM 0 HA ILE A 49 5.886 -0.585 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 49 5.764 0.878 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.346 0.719 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.162 2.116 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.574 3.151 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.904 1.979 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.433 2.580 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.291 2.785 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.689 3.411 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.876 1.993 -5.113 1.00 0.00 H new ATOM 533 N VAL A 50 7.505 -0.190 -5.396 1.00 0.00 N ATOM 534 CA VAL A 50 8.449 -0.019 -6.495 1.00 0.00 C ATOM 535 C VAL A 50 8.015 1.110 -7.427 1.00 0.00 C ATOM 536 O VAL A 50 8.849 1.792 -8.025 1.00 0.00 O ATOM 537 CB VAL A 50 8.600 -1.326 -7.307 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.637 -1.173 -8.410 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.965 -2.485 -6.393 1.00 0.00 C ATOM 0 H VAL A 50 6.632 -0.646 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 50 9.412 0.239 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 50 7.639 -1.540 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.720 -2.108 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.332 -0.376 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.603 -0.925 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.067 -3.396 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.909 -2.270 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.181 -2.621 -5.648 1.00 0.00 H new ATOM 549 N GLN A 51 6.710 1.321 -7.530 1.00 0.00 N ATOM 550 CA GLN A 51 6.169 2.342 -8.410 1.00 0.00 C ATOM 551 C GLN A 51 4.787 2.736 -7.919 1.00 0.00 C ATOM 552 O GLN A 51 4.098 1.940 -7.277 1.00 0.00 O ATOM 553 CB GLN A 51 6.090 1.846 -9.864 1.00 0.00 C ATOM 554 CG GLN A 51 4.715 1.336 -10.262 1.00 0.00 C ATOM 555 CD GLN A 51 4.685 0.691 -11.630 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.435 1.065 -12.534 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.826 -0.300 -11.785 1.00 0.00 N ATOM 0 H GLN A 51 6.006 0.795 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 51 6.833 3.206 -8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.373 2.660 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.819 1.048 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.375 0.613 -9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.009 2.166 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.223 -0.578 -11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.765 -0.787 -12.679 1.00 0.00 H new ATOM 566 N VAL A 52 4.400 3.957 -8.208 1.00 0.00 N ATOM 567 CA VAL A 52 3.093 4.453 -7.825 1.00 0.00 C ATOM 568 C VAL A 52 2.530 5.336 -8.932 1.00 0.00 C ATOM 569 O VAL A 52 3.274 5.822 -9.788 1.00 0.00 O ATOM 570 CB VAL A 52 3.150 5.242 -6.497 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.779 6.612 -6.692 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.769 5.360 -5.874 1.00 0.00 C ATOM 0 H VAL A 52 4.975 4.632 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 52 2.439 3.594 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 52 3.784 4.683 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.803 7.140 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.795 6.496 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.190 7.184 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.837 5.919 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.103 5.881 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.375 4.364 -5.672 1.00 0.00 H new ATOM 582 N PHE A 53 1.226 5.532 -8.917 1.00 0.00 N ATOM 583 CA PHE A 53 0.573 6.374 -9.883 1.00 0.00 C ATOM 584 C PHE A 53 -0.015 7.585 -9.168 1.00 0.00 C ATOM 585 O PHE A 53 -0.777 7.463 -8.217 1.00 0.00 O ATOM 586 CB PHE A 53 -0.487 5.587 -10.657 1.00 0.00 C ATOM 587 CG PHE A 53 0.092 4.465 -11.478 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.253 3.197 -10.936 1.00 0.00 C ATOM 589 CD2 PHE A 53 0.483 4.683 -12.790 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.795 2.171 -11.690 1.00 0.00 C ATOM 591 CE2 PHE A 53 1.023 3.660 -13.546 1.00 0.00 C ATOM 592 CZ PHE A 53 1.179 2.403 -12.995 1.00 0.00 C ATOM 0 H PHE A 53 0.596 5.110 -8.234 1.00 0.00 H new ATOM 0 HA PHE A 53 1.296 6.727 -10.618 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.212 5.178 -9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.029 6.268 -11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.048 3.010 -9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.364 5.664 -13.226 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.917 1.189 -11.257 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.323 3.843 -14.567 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.601 1.603 -13.585 1.00 0.00 H new ATOM 602 N ASP A 54 0.362 8.738 -9.666 1.00 0.00 N ATOM 603 CA ASP A 54 0.201 10.047 -8.998 1.00 0.00 C ATOM 604 C ASP A 54 -1.230 10.354 -8.531 1.00 0.00 C ATOM 605 O ASP A 54 -1.426 11.073 -7.553 1.00 0.00 O ATOM 606 CB ASP A 54 0.680 11.151 -9.949 1.00 0.00 C ATOM 607 CG ASP A 54 0.533 12.548 -9.372 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.473 13.024 -8.701 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.515 13.184 -9.607 1.00 0.00 O ATOM 0 H ASP A 54 0.808 8.814 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 54 0.804 10.007 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.727 10.977 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.116 11.089 -10.880 1.00 0.00 H new ATOM 614 N ASN A 55 -2.217 9.790 -9.198 1.00 0.00 N ATOM 615 CA ASN A 55 -3.608 10.156 -8.967 1.00 0.00 C ATOM 616 C ASN A 55 -4.287 9.127 -8.091 1.00 0.00 C ATOM 617 O ASN A 55 -5.485 9.210 -7.819 1.00 0.00 O ATOM 618 CB ASN A 55 -4.371 10.302 -10.287 1.00 0.00 C ATOM 619 CG ASN A 55 -4.284 11.693 -10.872 1.00 0.00 C ATOM 620 OD1 ASN A 55 -3.162 12.355 -10.666 1.00 0.00 O flip ATOM 621 ND2 ASN A 55 -5.219 12.167 -11.514 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.084 9.071 -9.910 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.617 11.120 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.977 9.586 -11.008 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.418 10.048 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.071 11.623 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.143 13.104 -11.909 1.00 0.00 H new ATOM 628 N THR A 56 -3.509 8.165 -7.636 1.00 0.00 N ATOM 629 CA THR A 56 -4.039 7.085 -6.836 1.00 0.00 C ATOM 630 C THR A 56 -3.941 7.472 -5.384 1.00 0.00 C ATOM 631 O THR A 56 -3.003 8.170 -5.030 1.00 0.00 O ATOM 632 CB THR A 56 -3.252 5.785 -7.063 1.00 0.00 C ATOM 633 OG1 THR A 56 -1.940 5.901 -6.493 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.116 5.502 -8.543 1.00 0.00 C ATOM 0 H THR A 56 -2.505 8.112 -7.809 1.00 0.00 H new ATOM 0 HA THR A 56 -5.076 6.911 -7.124 1.00 0.00 H new ATOM 0 HB THR A 56 -3.794 4.969 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.438 6.597 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.556 4.578 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.106 5.399 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.587 6.325 -9.024 1.00 0.00 H new ATOM 642 N PRO A 57 -4.874 7.053 -4.524 1.00 0.00 N ATOM 643 CA PRO A 57 -4.894 7.480 -3.123 1.00 0.00 C ATOM 644 C PRO A 57 -3.516 7.363 -2.479 1.00 0.00 C ATOM 645 O PRO A 57 -3.088 8.234 -1.717 1.00 0.00 O ATOM 646 CB PRO A 57 -5.879 6.506 -2.459 1.00 0.00 C ATOM 647 CG PRO A 57 -6.149 5.447 -3.482 1.00 0.00 C ATOM 648 CD PRO A 57 -5.951 6.105 -4.813 1.00 0.00 C ATOM 0 HA PRO A 57 -5.182 8.526 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.454 6.076 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.798 7.015 -2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.471 4.602 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.163 5.059 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.669 5.389 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.855 6.607 -5.159 1.00 0.00 H new ATOM 656 N ALA A 58 -2.825 6.286 -2.836 1.00 0.00 N ATOM 657 CA ALA A 58 -1.475 6.019 -2.358 1.00 0.00 C ATOM 658 C ALA A 58 -0.500 7.143 -2.717 1.00 0.00 C ATOM 659 O ALA A 58 0.176 7.682 -1.839 1.00 0.00 O ATOM 660 CB ALA A 58 -0.985 4.698 -2.922 1.00 0.00 C ATOM 0 H ALA A 58 -3.187 5.572 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.514 5.964 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.025 4.501 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.648 3.896 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.980 4.747 -4.011 1.00 0.00 H new ATOM 666 N ALA A 59 -0.413 7.498 -3.997 1.00 0.00 N ATOM 667 CA ALA A 59 0.478 8.582 -4.409 1.00 0.00 C ATOM 668 C ALA A 59 -0.119 9.922 -4.027 1.00 0.00 C ATOM 669 O ALA A 59 0.520 10.745 -3.376 1.00 0.00 O ATOM 670 CB ALA A 59 0.709 8.548 -5.905 1.00 0.00 C ATOM 0 H ALA A 59 -0.937 7.061 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 59 1.432 8.447 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.375 9.363 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.162 7.596 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.244 8.660 -6.423 1.00 0.00 H new ATOM 676 N LEU A 60 -1.355 10.100 -4.460 1.00 0.00 N ATOM 677 CA LEU A 60 -2.136 11.313 -4.261 1.00 0.00 C ATOM 678 C LEU A 60 -2.001 11.871 -2.840 1.00 0.00 C ATOM 679 O LEU A 60 -1.308 12.865 -2.617 1.00 0.00 O ATOM 680 CB LEU A 60 -3.592 10.925 -4.546 1.00 0.00 C ATOM 681 CG LEU A 60 -4.581 12.029 -4.924 1.00 0.00 C ATOM 682 CD1 LEU A 60 -4.808 12.998 -3.778 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.107 12.761 -6.164 1.00 0.00 C ATOM 0 H LEU A 60 -1.861 9.381 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.780 12.103 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.588 10.193 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.980 10.421 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.539 11.556 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.516 13.767 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.209 12.459 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.862 13.465 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.821 13.543 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.132 13.209 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.026 12.058 -6.993 1.00 0.00 H new ATOM 695 N ASP A 61 -2.666 11.231 -1.890 1.00 0.00 N ATOM 696 CA ASP A 61 -2.635 11.685 -0.506 1.00 0.00 C ATOM 697 C ASP A 61 -1.602 10.922 0.307 1.00 0.00 C ATOM 698 O ASP A 61 -0.823 11.508 1.059 1.00 0.00 O ATOM 699 CB ASP A 61 -4.014 11.537 0.139 1.00 0.00 C ATOM 700 CG ASP A 61 -4.074 12.161 1.522 1.00 0.00 C ATOM 701 OD1 ASP A 61 -3.739 11.475 2.509 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.461 13.345 1.624 1.00 0.00 O ATOM 0 H ASP A 61 -3.232 10.398 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.354 12.738 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.763 12.004 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.268 10.479 0.209 1.00 0.00 H new ATOM 707 N GLY A 62 -1.586 9.610 0.105 1.00 0.00 N ATOM 708 CA GLY A 62 -0.913 8.693 1.025 1.00 0.00 C ATOM 709 C GLY A 62 0.568 8.961 1.222 1.00 0.00 C ATOM 710 O GLY A 62 1.122 8.654 2.279 1.00 0.00 O ATOM 0 H GLY A 62 -2.032 9.153 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.409 8.744 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.038 7.675 0.657 1.00 0.00 H new ATOM 714 N THR A 63 1.201 9.538 0.214 1.00 0.00 N ATOM 715 CA THR A 63 2.626 9.784 0.224 1.00 0.00 C ATOM 716 C THR A 63 3.413 8.499 0.476 1.00 0.00 C ATOM 717 O THR A 63 4.314 8.441 1.318 1.00 0.00 O ATOM 718 CB THR A 63 3.017 10.849 1.250 1.00 0.00 C ATOM 719 OG1 THR A 63 1.906 11.724 1.516 1.00 0.00 O ATOM 720 CG2 THR A 63 4.157 11.646 0.678 1.00 0.00 C ATOM 0 H THR A 63 0.734 9.849 -0.638 1.00 0.00 H new ATOM 0 HA THR A 63 2.882 10.160 -0.766 1.00 0.00 H new ATOM 0 HB THR A 63 3.308 10.372 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.171 12.399 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.457 12.415 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.001 10.985 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.841 12.117 -0.253 1.00 0.00 H new ATOM 728 N VAL A 64 3.048 7.475 -0.267 1.00 0.00 N ATOM 729 CA VAL A 64 3.719 6.181 -0.218 1.00 0.00 C ATOM 730 C VAL A 64 4.192 5.811 -1.591 1.00 0.00 C ATOM 731 O VAL A 64 3.912 4.741 -2.129 1.00 0.00 O ATOM 732 CB VAL A 64 2.853 5.076 0.387 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.800 5.308 1.869 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.456 5.062 -0.214 1.00 0.00 C ATOM 0 H VAL A 64 2.272 7.512 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 64 4.575 6.280 0.449 1.00 0.00 H new ATOM 0 HB VAL A 64 3.288 4.101 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.189 4.536 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.809 5.270 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.364 6.287 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.872 4.263 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.970 6.019 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.524 4.894 -1.289 1.00 0.00 H new ATOM 744 N ALA A 65 4.913 6.745 -2.137 1.00 0.00 N ATOM 745 CA ALA A 65 5.328 6.695 -3.523 1.00 0.00 C ATOM 746 C ALA A 65 6.598 5.878 -3.687 1.00 0.00 C ATOM 747 O ALA A 65 7.205 5.453 -2.702 1.00 0.00 O ATOM 748 CB ALA A 65 5.522 8.104 -4.064 1.00 0.00 C ATOM 0 H ALA A 65 5.236 7.573 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 65 4.542 6.204 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.834 8.053 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.584 8.654 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.288 8.616 -3.481 1.00 0.00 H new ATOM 754 N ALA A 66 6.988 5.670 -4.940 1.00 0.00 N ATOM 755 CA ALA A 66 8.111 4.810 -5.280 1.00 0.00 C ATOM 756 C ALA A 66 9.361 5.167 -4.485 1.00 0.00 C ATOM 757 O ALA A 66 9.832 6.307 -4.522 1.00 0.00 O ATOM 758 CB ALA A 66 8.389 4.894 -6.771 1.00 0.00 C ATOM 0 H ALA A 66 6.533 6.094 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 66 7.842 3.787 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.231 4.248 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.507 4.571 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.629 5.923 -7.039 1.00 0.00 H new ATOM 764 N GLY A 67 9.882 4.193 -3.755 1.00 0.00 N ATOM 765 CA GLY A 67 11.079 4.417 -2.978 1.00 0.00 C ATOM 766 C GLY A 67 10.853 4.237 -1.490 1.00 0.00 C ATOM 767 O GLY A 67 11.797 4.309 -0.709 1.00 0.00 O ATOM 0 H GLY A 67 9.496 3.251 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.856 3.728 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.446 5.426 -3.166 1.00 0.00 H new ATOM 771 N ASP A 68 9.605 4.008 -1.096 1.00 0.00 N ATOM 772 CA ASP A 68 9.274 3.794 0.306 1.00 0.00 C ATOM 773 C ASP A 68 9.148 2.307 0.585 1.00 0.00 C ATOM 774 O ASP A 68 9.190 1.489 -0.340 1.00 0.00 O ATOM 775 CB ASP A 68 7.963 4.498 0.671 1.00 0.00 C ATOM 776 CG ASP A 68 8.086 6.007 0.744 1.00 0.00 C ATOM 777 OD1 ASP A 68 9.197 6.541 0.537 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.063 6.672 1.018 1.00 0.00 O ATOM 0 H ASP A 68 8.806 3.966 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 68 10.075 4.214 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.203 4.239 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.614 4.123 1.633 1.00 0.00 H new ATOM 783 N GLU A 69 8.994 1.942 1.849 1.00 0.00 N ATOM 784 CA GLU A 69 8.824 0.544 2.185 1.00 0.00 C ATOM 785 C GLU A 69 7.636 0.349 3.106 1.00 0.00 C ATOM 786 O GLU A 69 7.319 1.218 3.925 1.00 0.00 O ATOM 787 CB GLU A 69 10.089 -0.028 2.821 1.00 0.00 C ATOM 788 CG GLU A 69 10.094 -1.547 2.872 1.00 0.00 C ATOM 789 CD GLU A 69 11.441 -2.109 3.246 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.452 -1.670 2.653 1.00 0.00 O ATOM 791 OE2 GLU A 69 11.497 -2.983 4.132 1.00 0.00 O ATOM 0 H GLU A 69 8.984 2.583 2.642 1.00 0.00 H new ATOM 0 HA GLU A 69 8.634 0.003 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.958 0.314 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.189 0.364 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.350 -1.885 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.797 -1.941 1.900 1.00 0.00 H new ATOM 798 N ILE A 70 6.962 -0.778 2.930 1.00 0.00 N ATOM 799 CA ILE A 70 5.837 -1.154 3.772 1.00 0.00 C ATOM 800 C ILE A 70 6.179 -2.405 4.590 1.00 0.00 C ATOM 801 O ILE A 70 6.609 -3.414 4.035 1.00 0.00 O ATOM 802 CB ILE A 70 4.569 -1.423 2.921 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.131 -0.159 2.165 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.429 -1.929 3.795 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.920 0.135 0.904 1.00 0.00 C ATOM 0 H ILE A 70 7.180 -1.457 2.200 1.00 0.00 H new ATOM 0 HA ILE A 70 5.634 -0.323 4.448 1.00 0.00 H new ATOM 0 HB ILE A 70 4.819 -2.192 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.078 -0.257 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.215 0.696 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.550 -2.111 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.728 -2.857 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.192 -1.182 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.539 1.045 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.972 0.269 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.817 -0.698 0.208 1.00 0.00 H new ATOM 817 N THR A 71 5.974 -2.340 5.904 1.00 0.00 N ATOM 818 CA THR A 71 6.290 -3.461 6.780 1.00 0.00 C ATOM 819 C THR A 71 5.010 -4.114 7.300 1.00 0.00 C ATOM 820 O THR A 71 5.051 -5.144 7.977 1.00 0.00 O ATOM 821 CB THR A 71 7.207 -3.055 7.971 1.00 0.00 C ATOM 822 OG1 THR A 71 7.461 -4.187 8.816 1.00 0.00 O ATOM 823 CG2 THR A 71 6.609 -1.927 8.808 1.00 0.00 C ATOM 0 H THR A 71 5.591 -1.524 6.382 1.00 0.00 H new ATOM 0 HA THR A 71 6.846 -4.180 6.178 1.00 0.00 H new ATOM 0 HB THR A 71 8.140 -2.694 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.717 -4.821 8.746 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.287 -1.682 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.463 -1.047 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.650 -2.246 9.216 1.00 0.00 H new ATOM 831 N GLY A 72 3.872 -3.520 6.969 1.00 0.00 N ATOM 832 CA GLY A 72 2.605 -4.090 7.365 1.00 0.00 C ATOM 833 C GLY A 72 1.460 -3.605 6.506 1.00 0.00 C ATOM 834 O GLY A 72 1.330 -2.407 6.244 1.00 0.00 O ATOM 0 H GLY A 72 3.806 -2.654 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.665 -5.177 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.406 -3.838 8.407 1.00 0.00 H new ATOM 838 N VAL A 73 0.631 -4.540 6.071 1.00 0.00 N ATOM 839 CA VAL A 73 -0.503 -4.255 5.242 1.00 0.00 C ATOM 840 C VAL A 73 -1.770 -4.301 6.082 1.00 0.00 C ATOM 841 O VAL A 73 -2.059 -5.318 6.706 1.00 0.00 O ATOM 842 CB VAL A 73 -0.608 -5.287 4.092 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.024 -6.635 4.501 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.053 -5.475 3.703 1.00 0.00 C ATOM 0 H VAL A 73 0.739 -5.530 6.294 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.381 -3.261 4.811 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.038 -4.902 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.113 -7.337 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.027 -6.512 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.568 -7.021 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.120 -6.202 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.617 -5.836 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.467 -4.523 3.371 1.00 0.00 H new ATOM 854 N ASN A 74 -2.499 -3.195 6.127 1.00 0.00 N ATOM 855 CA ASN A 74 -3.793 -3.151 6.808 1.00 0.00 C ATOM 856 C ASN A 74 -3.688 -3.638 8.254 1.00 0.00 C ATOM 857 O ASN A 74 -4.635 -4.193 8.811 1.00 0.00 O ATOM 858 CB ASN A 74 -4.825 -3.983 6.035 1.00 0.00 C ATOM 859 CG ASN A 74 -5.234 -3.337 4.723 1.00 0.00 C ATOM 860 OD1 ASN A 74 -5.170 -2.116 4.567 1.00 0.00 O ATOM 861 ND2 ASN A 74 -5.670 -4.150 3.772 1.00 0.00 N ATOM 0 H ASN A 74 -2.219 -2.312 5.700 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.120 -2.112 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.412 -4.972 5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.709 -4.126 6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.967 -3.770 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.708 -5.156 3.939 1.00 0.00 H new ATOM 868 N GLY A 75 -2.520 -3.430 8.852 1.00 0.00 N ATOM 869 CA GLY A 75 -2.313 -3.779 10.244 1.00 0.00 C ATOM 870 C GLY A 75 -1.549 -5.080 10.447 1.00 0.00 C ATOM 871 O GLY A 75 -0.953 -5.281 11.507 1.00 0.00 O ATOM 0 H GLY A 75 -1.706 -3.022 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.771 -2.970 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.282 -3.858 10.737 1.00 0.00 H new ATOM 875 N ARG A 76 -1.535 -5.959 9.450 1.00 0.00 N ATOM 876 CA ARG A 76 -0.834 -7.212 9.563 1.00 0.00 C ATOM 877 C ARG A 76 0.504 -7.151 8.835 1.00 0.00 C ATOM 878 O ARG A 76 0.599 -6.617 7.734 1.00 0.00 O ATOM 879 CB ARG A 76 -1.704 -8.327 9.004 1.00 0.00 C ATOM 880 CG ARG A 76 -2.304 -8.028 7.649 1.00 0.00 C ATOM 881 CD ARG A 76 -3.283 -9.105 7.216 1.00 0.00 C ATOM 882 NE ARG A 76 -2.645 -10.414 7.084 1.00 0.00 N ATOM 883 CZ ARG A 76 -3.291 -11.516 6.713 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.589 -11.469 6.427 1.00 0.00 N ATOM 885 NH2 ARG A 76 -2.636 -12.666 6.619 1.00 0.00 N ATOM 0 H ARG A 76 -2.006 -5.817 8.556 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.628 -7.413 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.107 -9.236 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.510 -8.531 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.814 -7.065 7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.508 -7.942 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.093 -9.170 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.731 -8.824 6.263 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.648 -10.486 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.094 -10.585 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.080 -12.317 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.639 -12.704 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.129 -13.512 6.335 1.00 0.00 H new ATOM 899 N SER A 77 1.538 -7.694 9.460 1.00 0.00 N ATOM 900 CA SER A 77 2.884 -7.650 8.905 1.00 0.00 C ATOM 901 C SER A 77 2.978 -8.466 7.615 1.00 0.00 C ATOM 902 O SER A 77 2.253 -9.442 7.427 1.00 0.00 O ATOM 903 CB SER A 77 3.887 -8.175 9.936 1.00 0.00 C ATOM 904 OG SER A 77 3.813 -7.435 11.147 1.00 0.00 O ATOM 0 H SER A 77 1.470 -8.173 10.358 1.00 0.00 H new ATOM 0 HA SER A 77 3.121 -6.614 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.689 -9.228 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.897 -8.113 9.530 1.00 0.00 H new ATOM 0 HG SER A 77 4.462 -7.792 11.789 1.00 0.00 H new ATOM 910 N ILE A 78 3.888 -8.063 6.733 1.00 0.00 N ATOM 911 CA ILE A 78 4.084 -8.745 5.460 1.00 0.00 C ATOM 912 C ILE A 78 5.189 -9.780 5.626 1.00 0.00 C ATOM 913 O ILE A 78 5.633 -10.424 4.684 1.00 0.00 O ATOM 914 CB ILE A 78 4.467 -7.773 4.309 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.972 -7.438 4.334 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.642 -6.498 4.394 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.444 -6.704 5.570 1.00 0.00 C ATOM 0 H ILE A 78 4.504 -7.263 6.879 1.00 0.00 H new ATOM 0 HA ILE A 78 3.138 -9.212 5.187 1.00 0.00 H new ATOM 0 HB ILE A 78 4.250 -8.273 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.537 -8.366 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.209 -6.834 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.922 -5.828 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.583 -6.744 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.828 -6.007 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.515 -6.514 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.912 -5.756 5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.246 -7.312 6.452 1.00 0.00 H new ATOM 929 N LYS A 79 5.664 -9.894 6.836 1.00 0.00 N ATOM 930 CA LYS A 79 6.660 -10.882 7.166 1.00 0.00 C ATOM 931 C LYS A 79 5.992 -12.244 7.335 1.00 0.00 C ATOM 932 O LYS A 79 5.694 -12.662 8.454 1.00 0.00 O ATOM 933 CB LYS A 79 7.391 -10.457 8.444 1.00 0.00 C ATOM 934 CG LYS A 79 8.517 -11.391 8.863 1.00 0.00 C ATOM 935 CD LYS A 79 9.646 -11.390 7.846 1.00 0.00 C ATOM 936 CE LYS A 79 10.815 -12.253 8.297 1.00 0.00 C ATOM 937 NZ LYS A 79 10.450 -13.691 8.394 1.00 0.00 N ATOM 0 H LYS A 79 5.375 -9.309 7.620 1.00 0.00 H new ATOM 0 HA LYS A 79 7.392 -10.961 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.800 -9.457 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.668 -10.391 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.902 -11.086 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.129 -12.403 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.273 -11.755 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.990 -10.368 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.641 -12.137 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.169 -11.904 9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.300 -14.251 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.752 -13.821 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.042 -14.007 7.491 1.00 0.00 H new ATOM 951 N GLY A 80 5.722 -12.922 6.222 1.00 0.00 N ATOM 952 CA GLY A 80 5.100 -14.226 6.310 1.00 0.00 C ATOM 953 C GLY A 80 4.404 -14.694 5.040 1.00 0.00 C ATOM 954 O GLY A 80 4.346 -15.900 4.793 1.00 0.00 O ATOM 0 H GLY A 80 5.920 -12.596 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.862 -14.958 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.372 -14.210 7.121 1.00 0.00 H new ATOM 958 N LYS A 81 3.868 -13.782 4.226 1.00 0.00 N ATOM 959 CA LYS A 81 3.058 -14.218 3.083 1.00 0.00 C ATOM 960 C LYS A 81 3.739 -13.909 1.741 1.00 0.00 C ATOM 961 O LYS A 81 4.963 -13.953 1.633 1.00 0.00 O ATOM 962 CB LYS A 81 1.658 -13.582 3.166 1.00 0.00 C ATOM 963 CG LYS A 81 1.554 -12.114 2.751 1.00 0.00 C ATOM 964 CD LYS A 81 2.530 -11.205 3.480 1.00 0.00 C ATOM 965 CE LYS A 81 3.863 -11.061 2.744 1.00 0.00 C ATOM 966 NZ LYS A 81 3.771 -10.274 1.488 1.00 0.00 N ATOM 0 H LYS A 81 3.973 -12.773 4.328 1.00 0.00 H new ATOM 0 HA LYS A 81 2.955 -15.302 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.981 -14.163 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.301 -13.673 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.729 -12.035 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.538 -11.764 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.080 -10.220 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.712 -11.601 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.585 -10.585 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.249 -12.054 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.596 -10.478 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.901 -10.532 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.751 -9.259 1.715 1.00 0.00 H new ATOM 980 N THR A 82 2.937 -13.573 0.733 1.00 0.00 N ATOM 981 CA THR A 82 3.442 -13.279 -0.596 1.00 0.00 C ATOM 982 C THR A 82 2.775 -12.013 -1.146 1.00 0.00 C ATOM 983 O THR A 82 1.673 -11.666 -0.721 1.00 0.00 O ATOM 984 CB THR A 82 3.178 -14.455 -1.558 1.00 0.00 C ATOM 985 OG1 THR A 82 3.199 -15.691 -0.831 1.00 0.00 O ATOM 986 CG2 THR A 82 4.223 -14.501 -2.663 1.00 0.00 C ATOM 0 H THR A 82 1.923 -13.498 0.819 1.00 0.00 H new ATOM 0 HA THR A 82 4.518 -13.122 -0.520 1.00 0.00 H new ATOM 0 HB THR A 82 2.198 -14.310 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.303 -15.880 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.013 -15.339 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.193 -13.571 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.213 -14.625 -2.223 1.00 0.00 H new ATOM 994 N LYS A 83 3.469 -11.294 -2.017 1.00 0.00 N ATOM 995 CA LYS A 83 2.922 -10.119 -2.704 1.00 0.00 C ATOM 996 C LYS A 83 1.516 -10.367 -3.249 1.00 0.00 C ATOM 997 O LYS A 83 0.589 -9.615 -2.953 1.00 0.00 O ATOM 998 CB LYS A 83 3.833 -9.721 -3.860 1.00 0.00 C ATOM 999 CG LYS A 83 4.995 -10.676 -4.062 1.00 0.00 C ATOM 1000 CD LYS A 83 5.785 -10.356 -5.313 1.00 0.00 C ATOM 1001 CE LYS A 83 6.309 -8.936 -5.295 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.266 -8.711 -6.395 1.00 0.00 N ATOM 0 H LYS A 83 4.434 -11.506 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 83 2.865 -9.318 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.246 -9.674 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.222 -8.719 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.655 -10.631 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.618 -11.697 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.620 -11.051 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.153 -10.500 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.478 -8.237 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.794 -8.736 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.076 -7.789 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.236 -8.721 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.162 -9.464 -7.105 1.00 0.00 H new ATOM 1016 N VAL A 84 1.373 -11.418 -4.049 1.00 0.00 N ATOM 1017 CA VAL A 84 0.103 -11.784 -4.636 1.00 0.00 C ATOM 1018 C VAL A 84 -1.009 -11.887 -3.582 1.00 0.00 C ATOM 1019 O VAL A 84 -2.178 -11.594 -3.855 1.00 0.00 O ATOM 1020 CB VAL A 84 0.251 -13.117 -5.395 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.847 -14.193 -4.502 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.075 -13.562 -5.941 1.00 0.00 C ATOM 0 H VAL A 84 2.141 -12.038 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.187 -10.997 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 84 0.934 -12.955 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.940 -15.122 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.832 -13.877 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.197 -14.353 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.951 -14.505 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.779 -13.699 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.459 -12.806 -6.626 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.635 -12.281 -2.374 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.585 -12.423 -1.289 1.00 0.00 C ATOM 1034 C GLU A 85 -1.870 -11.079 -0.634 1.00 0.00 C ATOM 1035 O GLU A 85 -3.011 -10.783 -0.305 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.053 -13.408 -0.255 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.633 -14.734 -0.858 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.206 -15.735 0.188 1.00 0.00 C ATOM 1039 OE1 GLU A 85 0.973 -15.699 0.595 1.00 0.00 O ATOM 1040 OE2 GLU A 85 -1.045 -16.558 0.610 1.00 0.00 O ATOM 0 H GLU A 85 0.327 -12.509 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.519 -12.805 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.200 -12.962 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.821 -13.585 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.461 -15.146 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.189 -14.569 -1.555 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.838 -10.257 -0.459 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.013 -8.973 0.214 1.00 0.00 C ATOM 1049 C VAL A 86 -1.800 -7.996 -0.644 1.00 0.00 C ATOM 1050 O VAL A 86 -2.616 -7.231 -0.137 1.00 0.00 O ATOM 1051 CB VAL A 86 0.318 -8.338 0.662 1.00 0.00 C ATOM 1052 CG1 VAL A 86 0.970 -9.188 1.710 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.308 -8.166 -0.458 1.00 0.00 C ATOM 0 H VAL A 86 0.114 -10.453 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.585 -9.189 1.117 1.00 0.00 H new ATOM 0 HB VAL A 86 0.056 -7.352 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.909 -8.729 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.308 -9.274 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.167 -10.180 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.221 -7.714 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.540 -9.139 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.881 -7.520 -1.225 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.546 -8.024 -1.941 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.384 -7.311 -2.905 1.00 0.00 C ATOM 1065 C ALA A 87 -3.841 -7.701 -2.722 1.00 0.00 C ATOM 1066 O ALA A 87 -4.734 -6.853 -2.767 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.955 -7.618 -4.322 1.00 0.00 C ATOM 0 H ALA A 87 -0.766 -8.532 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.268 -6.242 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.593 -7.076 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.919 -7.310 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.044 -8.689 -4.505 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.077 -8.995 -2.520 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.416 -9.479 -2.237 1.00 0.00 C ATOM 1075 C LYS A 88 -5.892 -8.921 -0.908 1.00 0.00 C ATOM 1076 O LYS A 88 -6.959 -8.349 -0.831 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.470 -11.001 -2.206 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.849 -11.524 -1.879 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.968 -13.002 -2.177 1.00 0.00 C ATOM 1080 CE LYS A 88 -8.402 -13.489 -2.027 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.898 -13.366 -0.629 1.00 0.00 N ATOM 0 H LYS A 88 -3.360 -9.720 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.072 -9.138 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.157 -11.392 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.760 -11.372 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.066 -11.346 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.593 -10.975 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.620 -13.199 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.320 -13.563 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.049 -12.916 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.464 -14.531 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.908 -13.613 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.363 -14.011 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.770 -12.388 -0.300 1.00 0.00 H new ATOM 1095 N MET A 89 -5.066 -9.072 0.117 1.00 0.00 N ATOM 1096 CA MET A 89 -5.369 -8.584 1.464 1.00 0.00 C ATOM 1097 C MET A 89 -5.796 -7.122 1.433 1.00 0.00 C ATOM 1098 O MET A 89 -6.732 -6.719 2.126 1.00 0.00 O ATOM 1099 CB MET A 89 -4.146 -8.750 2.362 1.00 0.00 C ATOM 1100 CG MET A 89 -3.755 -10.201 2.582 1.00 0.00 C ATOM 1101 SD MET A 89 -2.169 -10.389 3.415 1.00 0.00 S ATOM 1102 CE MET A 89 -2.033 -12.175 3.435 1.00 0.00 C ATOM 0 H MET A 89 -4.162 -9.538 0.042 1.00 0.00 H new ATOM 0 HA MET A 89 -6.195 -9.172 1.864 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.304 -8.217 1.920 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.347 -8.285 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.528 -10.694 3.171 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.715 -10.710 1.619 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.388 -12.482 4.258 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.022 -12.614 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.606 -12.518 2.493 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.103 -6.340 0.619 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.422 -4.938 0.440 1.00 0.00 C ATOM 1114 C ILE A 90 -6.790 -4.761 -0.209 1.00 0.00 C ATOM 1115 O ILE A 90 -7.666 -4.114 0.365 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.330 -4.221 -0.389 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.054 -4.122 0.453 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.800 -2.836 -0.844 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.814 -3.785 -0.339 1.00 0.00 C ATOM 0 H ILE A 90 -4.307 -6.661 0.067 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.456 -4.480 1.429 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.125 -4.799 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.198 -3.363 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.897 -5.070 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.012 -2.357 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.693 -2.939 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.031 -2.225 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.956 -3.734 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.642 -4.556 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.947 -2.822 -0.831 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.997 -5.354 -1.379 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.239 -5.148 -2.109 1.00 0.00 C ATOM 1133 C GLN A 91 -9.412 -5.887 -1.453 1.00 0.00 C ATOM 1134 O GLN A 91 -10.563 -5.476 -1.588 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.067 -5.579 -3.564 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.819 -7.061 -3.753 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.449 -7.418 -5.178 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.312 -7.721 -6.001 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.160 -7.383 -5.476 1.00 0.00 N ATOM 0 H GLN A 91 -6.329 -5.974 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.475 -4.084 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.961 -5.299 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.234 -5.026 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.019 -7.379 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.713 -7.614 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.478 -7.126 -4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.848 -7.613 -6.420 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.092 -6.940 -0.712 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.075 -7.804 -0.064 1.00 0.00 C ATOM 1150 C GLU A 92 -10.966 -7.033 0.892 1.00 0.00 C ATOM 1151 O GLU A 92 -12.193 -7.108 0.812 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.340 -8.898 0.703 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.236 -9.781 1.538 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.463 -10.883 2.223 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.856 -11.716 1.519 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.436 -10.908 3.473 1.00 0.00 O ATOM 0 H GLU A 92 -8.127 -7.224 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.712 -8.233 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.796 -9.521 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.599 -8.434 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.746 -9.175 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.007 -10.219 0.904 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.331 -6.310 1.802 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.041 -5.525 2.807 1.00 0.00 C ATOM 1165 C VAL A 93 -12.010 -4.537 2.157 1.00 0.00 C ATOM 1166 O VAL A 93 -13.048 -4.214 2.734 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.062 -4.768 3.737 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.047 -5.733 4.326 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.354 -3.633 3.009 1.00 0.00 C ATOM 0 H VAL A 93 -9.315 -6.249 1.867 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.613 -6.229 3.412 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.646 -4.326 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.364 -5.189 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.565 -6.500 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.483 -6.204 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.676 -3.127 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.786 -4.037 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.092 -2.922 2.638 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.667 -4.099 0.938 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.486 -3.167 0.154 1.00 0.00 C ATOM 1181 C LYS A 94 -12.675 -1.816 0.854 1.00 0.00 C ATOM 1182 O LYS A 94 -12.637 -1.714 2.076 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.849 -3.789 -0.160 1.00 0.00 C ATOM 1184 CG LYS A 94 -13.750 -5.098 -0.925 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.114 -5.723 -1.151 1.00 0.00 C ATOM 1186 CE LYS A 94 -14.990 -7.117 -1.745 1.00 0.00 C ATOM 1187 NZ LYS A 94 -14.299 -8.056 -0.818 1.00 0.00 N ATOM 0 H LYS A 94 -10.809 -4.383 0.466 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.947 -2.978 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.386 -3.961 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.439 -3.080 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.267 -4.922 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.118 -5.794 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.654 -5.775 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.700 -5.091 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.983 -7.502 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.440 -7.064 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.250 -8.999 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.336 -7.711 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.828 -8.114 0.075 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.800 -0.765 0.059 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.207 0.522 0.590 1.00 0.00 C ATOM 1203 C GLY A 95 -12.052 1.350 1.111 1.00 0.00 C ATOM 1204 O GLY A 95 -11.858 2.483 0.683 1.00 0.00 O ATOM 0 H GLY A 95 -12.627 -0.779 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.723 1.082 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.924 0.364 1.396 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.257 0.779 1.998 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.225 1.526 2.673 1.00 0.00 C ATOM 1210 C GLU A 96 -8.900 0.803 2.563 1.00 0.00 C ATOM 1211 O GLU A 96 -8.825 -0.317 2.054 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.568 1.703 4.146 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.449 0.405 4.912 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.584 0.572 6.408 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.584 0.932 7.059 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.687 0.338 6.944 1.00 0.00 O ATOM 0 H GLU A 96 -11.311 -0.204 2.265 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.152 2.505 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.904 2.447 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.584 2.088 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.215 -0.286 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.484 -0.051 4.691 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.873 1.451 3.059 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.516 0.904 3.083 1.00 0.00 C ATOM 1225 C VAL A 97 -5.749 1.487 4.265 1.00 0.00 C ATOM 1226 O VAL A 97 -6.055 2.591 4.722 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.712 1.223 1.789 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.499 0.874 0.539 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.291 2.684 1.753 1.00 0.00 C ATOM 0 H VAL A 97 -7.945 2.384 3.464 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.620 -0.178 3.165 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.816 0.602 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.904 1.111 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.735 -0.190 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.424 1.450 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.731 2.879 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.177 3.319 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.663 2.903 2.617 1.00 0.00 H new ATOM 1239 N THR A 98 -4.784 0.743 4.781 1.00 0.00 N ATOM 1240 CA THR A 98 -3.863 1.277 5.771 1.00 0.00 C ATOM 1241 C THR A 98 -2.447 0.749 5.534 1.00 0.00 C ATOM 1242 O THR A 98 -2.204 -0.457 5.601 1.00 0.00 O ATOM 1243 CB THR A 98 -4.305 0.935 7.206 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.674 1.311 7.400 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.439 1.661 8.217 1.00 0.00 C ATOM 0 H THR A 98 -4.618 -0.232 4.531 1.00 0.00 H new ATOM 0 HA THR A 98 -3.869 2.361 5.660 1.00 0.00 H new ATOM 0 HB THR A 98 -4.196 -0.140 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.845 2.167 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.766 1.407 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.399 1.362 8.087 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.528 2.737 8.067 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.521 1.652 5.245 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.123 1.281 5.064 1.00 0.00 C ATOM 1255 C ILE A 99 0.661 1.555 6.337 1.00 0.00 C ATOM 1256 O ILE A 99 0.329 2.472 7.086 1.00 0.00 O ATOM 1257 CB ILE A 99 0.567 2.012 3.882 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.003 3.422 3.651 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.471 1.180 2.611 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.296 3.451 2.854 1.00 0.00 C ATOM 0 H ILE A 99 -1.712 2.647 5.131 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.125 0.217 4.829 1.00 0.00 H new ATOM 0 HB ILE A 99 1.617 2.133 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.175 3.894 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.744 4.022 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.960 1.708 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.961 0.219 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.577 1.016 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.628 4.482 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.128 3.011 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.061 2.881 3.381 1.00 0.00 H new ATOM 1272 N HIS A 100 1.684 0.751 6.585 1.00 0.00 N ATOM 1273 CA HIS A 100 2.476 0.879 7.803 1.00 0.00 C ATOM 1274 C HIS A 100 3.953 0.594 7.556 1.00 0.00 C ATOM 1275 O HIS A 100 4.308 -0.516 7.160 1.00 0.00 O ATOM 1276 CB HIS A 100 1.969 -0.094 8.874 1.00 0.00 C ATOM 1277 CG HIS A 100 1.080 0.522 9.910 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.489 0.770 11.203 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.210 0.920 9.848 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.489 1.292 11.888 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.553 1.394 11.088 1.00 0.00 N ATOM 0 H HIS A 100 1.986 0.003 5.961 1.00 0.00 H new ATOM 0 HA HIS A 100 2.368 1.910 8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.426 -0.902 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.828 -0.543 9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.853 0.873 8.981 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.520 1.585 12.927 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.467 1.765 11.349 1.00 0.00 H new ATOM 1290 N TYR A 101 4.794 1.610 7.758 1.00 0.00 N ATOM 1291 CA TYR A 101 6.239 1.423 7.926 1.00 0.00 C ATOM 1292 C TYR A 101 6.947 2.756 8.106 1.00 0.00 C ATOM 1293 O TYR A 101 6.680 3.482 9.063 1.00 0.00 O ATOM 1294 CB TYR A 101 6.904 0.648 6.778 1.00 0.00 C ATOM 1295 CG TYR A 101 8.335 0.185 7.069 1.00 0.00 C ATOM 1296 CD1 TYR A 101 8.891 0.282 8.347 1.00 0.00 C ATOM 1297 CD2 TYR A 101 9.124 -0.352 6.065 1.00 0.00 C ATOM 1298 CE1 TYR A 101 10.183 -0.140 8.601 1.00 0.00 C ATOM 1299 CE2 TYR A 101 10.417 -0.775 6.313 1.00 0.00 C ATOM 1300 CZ TYR A 101 10.942 -0.668 7.581 1.00 0.00 C ATOM 1301 OH TYR A 101 12.233 -1.083 7.830 1.00 0.00 O ATOM 0 H TYR A 101 4.495 2.584 7.810 1.00 0.00 H new ATOM 0 HA TYR A 101 6.344 0.817 8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.294 -0.224 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.913 1.278 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.300 0.694 9.152 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.721 -0.442 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.595 -0.056 9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 101 11.014 -1.188 5.513 1.00 0.00 H new ATOM 0 HH TYR A 101 12.630 -1.431 7.004 1.00 0.00 H new ATOM 1311 N ASN A 102 7.812 3.094 7.164 1.00 0.00 N ATOM 1312 CA ASN A 102 8.782 4.140 7.384 1.00 0.00 C ATOM 1313 C ASN A 102 9.328 4.641 6.047 1.00 0.00 C ATOM 1314 O ASN A 102 8.976 4.105 4.986 1.00 0.00 O ATOM 1315 CB ASN A 102 9.887 3.587 8.307 1.00 0.00 C ATOM 1316 CG ASN A 102 11.099 3.030 7.574 1.00 0.00 C ATOM 1317 OD1 ASN A 102 10.995 2.488 6.478 1.00 0.00 O ATOM 1318 ND2 ASN A 102 12.263 3.148 8.190 1.00 0.00 N ATOM 0 H ASN A 102 7.858 2.657 6.243 1.00 0.00 H new ATOM 0 HA ASN A 102 8.325 5.001 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.216 4.382 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.462 2.801 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.110 2.783 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.314 3.604 9.101 1.00 0.00 H new ATOM 1393 N ASP A 107 21.425 3.263 5.418 1.00 0.00 N ATOM 1394 CA ASP A 107 22.665 3.224 4.649 1.00 0.00 C ATOM 1395 C ASP A 107 23.165 1.795 4.590 1.00 0.00 C ATOM 1396 O ASP A 107 22.970 1.087 5.546 1.00 0.00 O ATOM 1397 CB ASP A 107 23.685 4.136 5.345 1.00 0.00 C ATOM 1398 CG ASP A 107 25.056 4.124 4.709 1.00 0.00 C ATOM 1399 OD1 ASP A 107 25.288 4.920 3.778 1.00 0.00 O ATOM 1400 OD2 ASP A 107 25.912 3.336 5.158 1.00 0.00 O ATOM 0 HA ASP A 107 22.508 3.573 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 107 23.304 5.157 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.777 3.832 6.388 1.00 0.00 H new ATOM 1405 N PRO A 108 23.821 1.361 3.486 1.00 0.00 N ATOM 1406 CA PRO A 108 24.243 -0.035 3.258 1.00 0.00 C ATOM 1407 C PRO A 108 24.553 -0.846 4.526 1.00 0.00 C ATOM 1408 O PRO A 108 24.023 -1.944 4.706 1.00 0.00 O ATOM 1409 CB PRO A 108 25.504 0.167 2.433 1.00 0.00 C ATOM 1410 CG PRO A 108 25.195 1.348 1.571 1.00 0.00 C ATOM 1411 CD PRO A 108 24.197 2.198 2.331 1.00 0.00 C ATOM 0 HA PRO A 108 23.450 -0.621 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 108 26.370 0.354 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 108 25.733 -0.714 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 108 26.100 1.916 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 108 24.782 1.030 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 108 24.638 3.143 2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 108 23.331 2.442 1.716 1.00 0.00 H new ATOM 1419 N LYS A 109 25.400 -0.305 5.395 1.00 0.00 N ATOM 1420 CA LYS A 109 25.731 -0.956 6.669 1.00 0.00 C ATOM 1421 C LYS A 109 24.483 -1.206 7.518 1.00 0.00 C ATOM 1422 O LYS A 109 24.271 -2.299 8.036 1.00 0.00 O ATOM 1423 CB LYS A 109 26.708 -0.087 7.464 1.00 0.00 C ATOM 1424 CG LYS A 109 26.207 1.333 7.701 1.00 0.00 C ATOM 1425 CD LYS A 109 27.142 2.113 8.607 1.00 0.00 C ATOM 1426 CE LYS A 109 26.741 3.576 8.701 1.00 0.00 C ATOM 1427 NZ LYS A 109 26.976 4.299 7.423 1.00 0.00 N ATOM 0 H LYS A 109 25.874 0.586 5.245 1.00 0.00 H new ATOM 0 HA LYS A 109 26.188 -1.918 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 109 26.902 -0.560 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.659 -0.044 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 109 26.111 1.849 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 109 25.213 1.299 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 109 27.138 1.670 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 109 28.162 2.038 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 109 25.687 3.647 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 109 27.306 4.057 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 26.674 5.289 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 27.989 4.268 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 26.430 3.846 6.662 1.00 0.00 H new ATOM 1441 N GLN A 110 23.674 -0.174 7.643 1.00 0.00 N ATOM 1442 CA GLN A 110 22.461 -0.202 8.427 1.00 0.00 C ATOM 1443 C GLN A 110 21.321 -0.798 7.622 1.00 0.00 C ATOM 1444 O GLN A 110 20.316 -1.242 8.168 1.00 0.00 O ATOM 1445 CB GLN A 110 22.120 1.217 8.852 1.00 0.00 C ATOM 1446 CG GLN A 110 23.042 1.783 9.913 1.00 0.00 C ATOM 1447 CD GLN A 110 23.146 0.890 11.133 1.00 0.00 C ATOM 1448 OE1 GLN A 110 24.019 0.024 11.210 1.00 0.00 O ATOM 1449 NE2 GLN A 110 22.255 1.087 12.089 1.00 0.00 N ATOM 0 H GLN A 110 23.847 0.725 7.193 1.00 0.00 H new ATOM 0 HA GLN A 110 22.612 -0.825 9.309 1.00 0.00 H new ATOM 0 HB2 GLN A 110 22.151 1.865 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 110 21.097 1.237 9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 110 24.035 1.926 9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 110 22.680 2.765 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 110 21.548 1.815 11.985 1.00 0.00 H new ATOM 0 HE22 GLN A 110 22.274 0.511 12.930 1.00 0.00 H new ATOM 1458 N LEU A 111 21.515 -0.828 6.319 1.00 0.00 N ATOM 1459 CA LEU A 111 20.521 -1.302 5.385 1.00 0.00 C ATOM 1460 C LEU A 111 20.278 -2.776 5.627 1.00 0.00 C ATOM 1461 O LEU A 111 19.145 -3.200 5.769 1.00 0.00 O ATOM 1462 CB LEU A 111 21.010 -1.014 3.951 1.00 0.00 C ATOM 1463 CG LEU A 111 20.157 -1.532 2.775 1.00 0.00 C ATOM 1464 CD1 LEU A 111 20.373 -3.018 2.537 1.00 0.00 C ATOM 1465 CD2 LEU A 111 18.683 -1.240 2.996 1.00 0.00 C ATOM 0 H LEU A 111 22.380 -0.519 5.876 1.00 0.00 H new ATOM 0 HA LEU A 111 19.571 -0.786 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 111 21.107 0.066 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 111 22.010 -1.436 3.849 1.00 0.00 H new ATOM 0 HG LEU A 111 20.484 -0.998 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 111 19.755 -3.346 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.423 -3.201 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.096 -3.574 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 111 18.107 -1.617 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.348 -1.730 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.535 -0.164 3.085 1.00 0.00 H new ATOM 1477 N GLU A 112 21.356 -3.544 5.725 1.00 0.00 N ATOM 1478 CA GLU A 112 21.240 -4.974 5.969 1.00 0.00 C ATOM 1479 C GLU A 112 20.761 -5.244 7.395 1.00 0.00 C ATOM 1480 O GLU A 112 20.176 -6.288 7.681 1.00 0.00 O ATOM 1481 CB GLU A 112 22.580 -5.657 5.737 1.00 0.00 C ATOM 1482 CG GLU A 112 23.697 -5.038 6.544 1.00 0.00 C ATOM 1483 CD GLU A 112 24.835 -6.003 6.783 1.00 0.00 C ATOM 1484 OE1 GLU A 112 24.749 -6.803 7.735 1.00 0.00 O ATOM 1485 OE2 GLU A 112 25.817 -5.977 6.011 1.00 0.00 O ATOM 0 H GLU A 112 22.313 -3.203 5.640 1.00 0.00 H new ATOM 0 HA GLU A 112 20.506 -5.380 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.494 -6.713 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.831 -5.605 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.074 -4.158 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 112 23.305 -4.698 7.502 1.00 0.00 H new ATOM 1492 N VAL A 113 21.025 -4.296 8.288 1.00 0.00 N ATOM 1493 CA VAL A 113 20.579 -4.393 9.674 1.00 0.00 C ATOM 1494 C VAL A 113 19.064 -4.244 9.740 1.00 0.00 C ATOM 1495 O VAL A 113 18.370 -5.018 10.403 1.00 0.00 O ATOM 1496 CB VAL A 113 21.247 -3.310 10.552 1.00 0.00 C ATOM 1497 CG1 VAL A 113 20.711 -3.345 11.975 1.00 0.00 C ATOM 1498 CG2 VAL A 113 22.755 -3.482 10.551 1.00 0.00 C ATOM 0 H VAL A 113 21.549 -3.447 8.075 1.00 0.00 H new ATOM 0 HA VAL A 113 20.869 -5.371 10.057 1.00 0.00 H new ATOM 0 HB VAL A 113 21.004 -2.337 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 113 21.200 -2.572 12.567 1.00 0.00 H new ATOM 0 HG12 VAL A 113 19.636 -3.167 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 113 20.912 -4.321 12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 113 23.209 -2.712 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 113 23.009 -4.465 10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 113 23.131 -3.393 9.532 1.00 0.00 H new ATOM 1508 N LEU A 114 18.558 -3.256 9.022 1.00 0.00 N ATOM 1509 CA LEU A 114 17.130 -3.012 8.952 1.00 0.00 C ATOM 1510 C LEU A 114 16.473 -4.012 8.011 1.00 0.00 C ATOM 1511 O LEU A 114 15.264 -4.222 8.056 1.00 0.00 O ATOM 1512 CB LEU A 114 16.856 -1.577 8.481 1.00 0.00 C ATOM 1513 CG LEU A 114 16.881 -0.493 9.570 1.00 0.00 C ATOM 1514 CD1 LEU A 114 18.215 -0.459 10.301 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.587 0.866 8.961 1.00 0.00 C ATOM 0 H LEU A 114 19.122 -2.605 8.475 1.00 0.00 H new ATOM 0 HA LEU A 114 16.705 -3.137 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 114 17.594 -1.318 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 114 15.880 -1.555 7.997 1.00 0.00 H new ATOM 0 HG LEU A 114 16.109 -0.739 10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 114 18.193 0.320 11.063 1.00 0.00 H new ATOM 0 HD12 LEU A 114 18.395 -1.424 10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 114 19.014 -0.249 9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 114 16.607 1.627 9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 114 17.341 1.098 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 114 15.602 0.850 8.495 1.00 0.00 H new ATOM 1527 N PHE A 115 17.288 -4.650 7.181 1.00 0.00 N ATOM 1528 CA PHE A 115 16.797 -5.604 6.194 1.00 0.00 C ATOM 1529 C PHE A 115 16.800 -7.016 6.772 1.00 0.00 C ATOM 1530 O PHE A 115 16.563 -7.994 6.066 1.00 0.00 O ATOM 1531 CB PHE A 115 17.679 -5.538 4.944 1.00 0.00 C ATOM 1532 CG PHE A 115 17.141 -6.260 3.745 1.00 0.00 C ATOM 1533 CD1 PHE A 115 16.015 -5.795 3.086 1.00 0.00 C ATOM 1534 CD2 PHE A 115 17.775 -7.395 3.264 1.00 0.00 C ATOM 1535 CE1 PHE A 115 15.530 -6.451 1.974 1.00 0.00 C ATOM 1536 CE2 PHE A 115 17.291 -8.054 2.155 1.00 0.00 C ATOM 1537 CZ PHE A 115 16.169 -7.581 1.509 1.00 0.00 C ATOM 0 H PHE A 115 18.300 -4.523 7.172 1.00 0.00 H new ATOM 0 HA PHE A 115 15.772 -5.349 5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.830 -4.491 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 115 18.658 -5.950 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 115 15.512 -4.910 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 115 18.657 -7.767 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 115 14.651 -6.080 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 115 17.790 -8.940 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 115 15.790 -8.096 0.638 1.00 0.00 H new ATOM 1721 N LEU A 126 4.072 -6.992 -8.839 1.00 0.00 N ATOM 1722 CA LEU A 126 2.838 -6.864 -8.084 1.00 0.00 C ATOM 1723 C LEU A 126 2.250 -5.487 -8.307 1.00 0.00 C ATOM 1724 O LEU A 126 2.956 -4.569 -8.714 1.00 0.00 O ATOM 1725 CB LEU A 126 3.133 -7.070 -6.598 1.00 0.00 C ATOM 1726 CG LEU A 126 1.978 -7.455 -5.690 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.253 -6.230 -5.244 1.00 0.00 C ATOM 1728 CD2 LEU A 126 1.037 -8.439 -6.371 1.00 0.00 C ATOM 0 HA LEU A 126 2.122 -7.615 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.897 -7.843 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.568 -6.148 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 126 2.382 -7.959 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.426 -6.513 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.938 -5.580 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.865 -5.700 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.222 -8.693 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.629 -7.986 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.585 -9.344 -6.634 1.00 0.00 H new ATOM 1740 N LYS A 127 0.971 -5.342 -8.016 1.00 0.00 N ATOM 1741 CA LYS A 127 0.308 -4.066 -8.120 1.00 0.00 C ATOM 1742 C LYS A 127 -1.051 -4.089 -7.438 1.00 0.00 C ATOM 1743 O LYS A 127 -1.874 -4.979 -7.669 1.00 0.00 O ATOM 1744 CB LYS A 127 0.157 -3.627 -9.579 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.752 -4.508 -10.424 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.919 -3.945 -11.829 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.551 -2.559 -11.815 1.00 0.00 C ATOM 1748 NZ LYS A 127 -1.700 -2.002 -13.184 1.00 0.00 N ATOM 0 H LYS A 127 0.369 -6.104 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 127 0.939 -3.339 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.229 -2.608 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.145 -3.602 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.337 -5.514 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.728 -4.592 -9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.054 -3.895 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.538 -4.620 -12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.529 -2.611 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.938 -1.887 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.134 -1.058 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.765 -1.928 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.306 -2.629 -13.750 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.245 -3.131 -6.556 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.563 -2.786 -6.082 1.00 0.00 C ATOM 1764 C VAL A 128 -2.740 -1.312 -6.325 1.00 0.00 C ATOM 1765 O VAL A 128 -2.831 -0.575 -5.344 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.813 -3.048 -4.579 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -3.966 -4.010 -4.382 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -1.574 -3.542 -3.867 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.717 -0.892 -7.495 1.00 0.00 O ATOM 0 H VAL A 128 -0.494 -2.573 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.268 -3.421 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.079 -2.091 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.122 -4.178 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -4.871 -3.588 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.736 -4.958 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.802 -3.711 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.242 -4.476 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.784 -2.796 -3.952 1.00 0.00 H new