USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 Single : A 13 LYS NZ :NH3+ -151:sc= -1.57 (180deg=-3.13!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -78:sc= -2.57 USER MOD Single : A 27 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.66) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 29 SER OG : rot 180:sc= -0.259 USER MOD Single : A 32 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.3) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0708 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.21! C(o=-3.2!,f=-1.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.01 USER MOD Single : A 71 HIS : no HD1:sc= -6.65! C(o=-6.6!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot -46:sc= -4.13! USER MOD Single : A 80 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.5!) USER MOD Single : A 81 THR OG1 : rot -92:sc= 0.728 USER MOD Single : A 83 GLN : amide:sc=-0.000418 K(o=-0.00042,f=-1.3) USER MOD Single : A 86 HIS : no HD1:sc= -1.65! K(o=-1.6!,f=-0.93) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.615 -2.304 -5.601 1.00 15.00 N ATOM 73 CA ILE A 6 -10.168 -2.293 -5.701 1.00 15.00 C ATOM 74 C ILE A 6 -9.679 -1.080 -6.486 1.00 15.00 C ATOM 75 O ILE A 6 -10.295 -0.676 -7.473 1.00 15.00 O ATOM 76 CB ILE A 6 -9.676 -3.586 -6.385 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.237 -4.607 -5.336 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.537 -3.299 -7.361 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.348 -5.025 -4.397 1.00 15.00 C ATOM 0 HA ILE A 6 -9.761 -2.236 -4.691 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.507 -4.002 -6.955 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.848 -5.491 -5.842 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.418 -4.187 -4.752 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.213 -4.230 -7.826 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.883 -2.610 -8.131 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.701 -2.852 -6.823 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.964 -5.751 -3.680 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.722 -4.151 -3.864 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.159 -5.475 -4.970 1.00 15.00 H new ATOM 91 N PHE A 7 -8.557 -0.519 -6.055 1.00 15.00 N ATOM 92 CA PHE A 7 -7.975 0.628 -6.735 1.00 15.00 C ATOM 93 C PHE A 7 -6.455 0.508 -6.777 1.00 15.00 C ATOM 94 O PHE A 7 -5.860 -0.213 -5.979 1.00 15.00 O ATOM 95 CB PHE A 7 -8.403 1.938 -6.059 1.00 15.00 C ATOM 96 CG PHE A 7 -7.586 2.313 -4.852 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.309 2.833 -4.995 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.101 2.154 -3.575 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.561 3.185 -3.889 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.359 2.507 -2.465 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.087 3.024 -2.623 1.00 15.00 C ATOM 0 H PHE A 7 -8.034 -0.839 -5.240 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.345 0.644 -7.760 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.342 2.745 -6.789 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.449 1.855 -5.763 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.894 2.964 -5.983 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.094 1.749 -3.447 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.566 3.586 -4.014 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.772 2.379 -1.475 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.505 3.302 -1.757 1.00 15.00 H new ATOM 111 N GLU A 8 -5.834 1.208 -7.718 1.00 15.00 N ATOM 112 CA GLU A 8 -4.384 1.165 -7.868 1.00 15.00 C ATOM 113 C GLU A 8 -3.772 2.557 -7.792 1.00 15.00 C ATOM 114 O GLU A 8 -4.340 3.533 -8.283 1.00 15.00 O ATOM 115 CB GLU A 8 -4.016 0.519 -9.199 1.00 15.00 C ATOM 116 CG GLU A 8 -4.727 1.136 -10.384 1.00 15.00 C ATOM 117 CD GLU A 8 -5.616 0.148 -11.115 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.090 -0.872 -11.607 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.837 0.396 -11.195 1.00 15.00 O ATOM 0 H GLU A 8 -6.310 1.812 -8.388 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.984 0.572 -7.046 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.939 0.600 -9.348 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.253 -0.544 -9.156 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.330 1.977 -10.042 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.988 1.535 -11.078 1.00 15.00 H new ATOM 126 N VAL A 9 -2.597 2.626 -7.186 1.00 15.00 N ATOM 127 CA VAL A 9 -1.864 3.877 -7.044 1.00 15.00 C ATOM 128 C VAL A 9 -0.756 3.940 -8.084 1.00 15.00 C ATOM 129 O VAL A 9 0.172 3.134 -8.062 1.00 15.00 O ATOM 130 CB VAL A 9 -1.277 4.046 -5.612 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.504 2.793 -4.779 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.210 4.391 -5.642 1.00 15.00 C ATOM 0 H VAL A 9 -2.124 1.819 -6.779 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.562 4.698 -7.205 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.806 4.879 -5.149 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -1.085 2.937 -3.783 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.574 2.599 -4.698 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -1.017 1.944 -5.259 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.579 4.500 -4.622 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.759 3.593 -6.143 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.356 5.326 -6.182 1.00 15.00 H new ATOM 142 N GLU A 10 -0.871 4.883 -9.006 1.00 15.00 N ATOM 143 CA GLU A 10 0.112 5.030 -10.066 1.00 15.00 C ATOM 144 C GLU A 10 1.010 6.244 -9.849 1.00 15.00 C ATOM 145 O GLU A 10 0.930 7.228 -10.584 1.00 15.00 O ATOM 146 CB GLU A 10 -0.597 5.126 -11.410 1.00 15.00 C ATOM 147 CG GLU A 10 0.340 5.343 -12.587 1.00 15.00 C ATOM 148 CD GLU A 10 -0.267 4.902 -13.905 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.267 5.515 -14.333 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.258 3.943 -14.509 1.00 15.00 O ATOM 0 H GLU A 10 -1.635 5.558 -9.041 1.00 15.00 H new ATOM 0 HA GLU A 10 0.755 4.150 -10.053 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.166 4.211 -11.575 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.314 5.946 -11.373 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.603 6.399 -12.648 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.266 4.794 -12.416 1.00 15.00 H new ATOM 157 N LEU A 11 1.878 6.158 -8.848 1.00 15.00 N ATOM 158 CA LEU A 11 2.807 7.242 -8.548 1.00 15.00 C ATOM 159 C LEU A 11 4.086 7.072 -9.359 1.00 15.00 C ATOM 160 O LEU A 11 4.364 5.989 -9.868 1.00 15.00 O ATOM 161 CB LEU A 11 3.142 7.270 -7.055 1.00 15.00 C ATOM 162 CG LEU A 11 3.383 8.662 -6.463 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.176 9.562 -6.683 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.711 8.558 -4.980 1.00 15.00 C ATOM 0 H LEU A 11 1.958 5.350 -8.231 1.00 15.00 H new ATOM 0 HA LEU A 11 2.332 8.186 -8.816 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.327 6.797 -6.508 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.032 6.663 -6.888 1.00 15.00 H new ATOM 0 HG LEU A 11 4.235 9.109 -6.976 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.372 10.545 -6.254 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.988 9.664 -7.752 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.302 9.123 -6.201 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.880 9.555 -4.574 1.00 15.00 H new ATOM 0 HD22 LEU A 11 2.879 8.088 -4.455 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.610 7.956 -4.848 1.00 15.00 H new ATOM 176 N ALA A 12 4.861 8.141 -9.480 1.00 15.00 N ATOM 177 CA ALA A 12 6.110 8.090 -10.232 1.00 15.00 C ATOM 178 C ALA A 12 7.298 7.859 -9.305 1.00 15.00 C ATOM 179 O ALA A 12 7.792 8.792 -8.672 1.00 15.00 O ATOM 180 CB ALA A 12 6.303 9.368 -11.032 1.00 15.00 C ATOM 0 H ALA A 12 4.650 9.051 -9.070 1.00 15.00 H new ATOM 0 HA ALA A 12 6.052 7.250 -10.925 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.240 9.312 -11.587 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.475 9.489 -11.730 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.333 10.221 -10.354 1.00 15.00 H new ATOM 186 N LYS A 13 7.752 6.611 -9.226 1.00 15.00 N ATOM 187 CA LYS A 13 8.885 6.251 -8.372 1.00 15.00 C ATOM 188 C LYS A 13 10.198 6.898 -8.829 1.00 15.00 C ATOM 189 O LYS A 13 11.278 6.362 -8.579 1.00 15.00 O ATOM 190 CB LYS A 13 9.054 4.733 -8.327 1.00 15.00 C ATOM 191 CG LYS A 13 10.121 4.257 -7.347 1.00 15.00 C ATOM 192 CD LYS A 13 10.226 5.164 -6.127 1.00 15.00 C ATOM 193 CE LYS A 13 8.998 5.049 -5.236 1.00 15.00 C ATOM 194 NZ LYS A 13 8.277 6.346 -5.111 1.00 15.00 N ATOM 0 H LYS A 13 7.353 5.828 -9.744 1.00 15.00 H new ATOM 0 HA LYS A 13 8.660 6.632 -7.376 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.100 4.279 -8.058 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.307 4.376 -9.325 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.889 3.242 -7.024 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.086 4.218 -7.853 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.117 4.904 -5.555 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.346 6.198 -6.451 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.323 4.297 -5.644 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.299 4.704 -4.247 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 7.795 6.388 -4.190 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 8.957 7.130 -5.182 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.575 6.428 -5.874 1.00 15.00 H new ATOM 259 N LEU A 18 8.692 6.705 -1.839 1.00 15.00 N ATOM 260 CA LEU A 18 7.431 6.939 -1.160 1.00 15.00 C ATOM 261 C LEU A 18 7.660 7.670 0.160 1.00 15.00 C ATOM 262 O LEU A 18 8.754 8.168 0.424 1.00 15.00 O ATOM 263 CB LEU A 18 6.692 5.616 -0.921 1.00 15.00 C ATOM 264 CG LEU A 18 6.058 4.998 -2.170 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.974 3.944 -2.771 1.00 15.00 C ATOM 266 CD2 LEU A 18 4.700 4.397 -1.836 1.00 15.00 C ATOM 0 HA LEU A 18 6.811 7.568 -1.798 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.391 4.898 -0.493 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.911 5.782 -0.179 1.00 15.00 H new ATOM 0 HG LEU A 18 5.914 5.787 -2.908 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.505 3.517 -3.658 1.00 15.00 H new ATOM 0 HD12 LEU A 18 7.923 4.402 -3.048 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.151 3.156 -2.039 1.00 15.00 H new ATOM 0 HD21 LEU A 18 4.263 3.962 -2.735 1.00 15.00 H new ATOM 0 HD22 LEU A 18 4.821 3.621 -1.080 1.00 15.00 H new ATOM 0 HD23 LEU A 18 4.041 5.177 -1.453 1.00 15.00 H new ATOM 278 N GLY A 19 6.622 7.730 0.982 1.00 15.00 N ATOM 279 CA GLY A 19 6.717 8.402 2.262 1.00 15.00 C ATOM 280 C GLY A 19 5.623 7.962 3.200 1.00 15.00 C ATOM 281 O GLY A 19 5.060 8.768 3.937 1.00 15.00 O ATOM 0 H GLY A 19 5.709 7.322 0.783 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.688 8.195 2.712 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.658 9.480 2.113 1.00 15.00 H new ATOM 285 N ILE A 20 5.310 6.678 3.151 1.00 15.00 N ATOM 286 CA ILE A 20 4.268 6.113 3.985 1.00 15.00 C ATOM 287 C ILE A 20 4.833 5.151 5.025 1.00 15.00 C ATOM 288 O ILE A 20 5.722 4.352 4.731 1.00 15.00 O ATOM 289 CB ILE A 20 3.212 5.385 3.122 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.820 5.903 3.461 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.281 3.883 3.326 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.712 4.911 3.207 1.00 15.00 C ATOM 0 H ILE A 20 5.768 6.005 2.537 1.00 15.00 H new ATOM 0 HA ILE A 20 3.795 6.942 4.511 1.00 15.00 H new ATOM 0 HB ILE A 20 3.424 5.590 2.073 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.799 6.194 4.511 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.627 6.803 2.877 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.527 3.397 2.707 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.270 3.523 3.044 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.095 3.649 4.374 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.245 5.358 3.474 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.703 4.638 2.152 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.877 4.019 3.811 1.00 15.00 H new ATOM 304 N SER A 21 4.274 5.203 6.224 1.00 15.00 N ATOM 305 CA SER A 21 4.678 4.306 7.292 1.00 15.00 C ATOM 306 C SER A 21 3.708 3.131 7.305 1.00 15.00 C ATOM 307 O SER A 21 2.548 3.280 7.685 1.00 15.00 O ATOM 308 CB SER A 21 4.682 5.034 8.640 1.00 15.00 C ATOM 309 OG SER A 21 4.961 4.139 9.703 1.00 15.00 O ATOM 0 H SER A 21 3.537 5.860 6.481 1.00 15.00 H new ATOM 0 HA SER A 21 5.693 3.948 7.122 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.427 5.829 8.625 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.714 5.508 8.804 1.00 15.00 H new ATOM 0 HG SER A 21 4.959 4.629 10.552 1.00 15.00 H new ATOM 315 N VAL A 22 4.168 1.978 6.831 1.00 15.00 N ATOM 316 CA VAL A 22 3.308 0.804 6.734 1.00 15.00 C ATOM 317 C VAL A 22 3.399 -0.103 7.949 1.00 15.00 C ATOM 318 O VAL A 22 4.421 -0.163 8.633 1.00 15.00 O ATOM 319 CB VAL A 22 3.633 -0.016 5.469 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.575 0.869 4.235 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.000 -0.675 5.582 1.00 15.00 C ATOM 0 H VAL A 22 5.125 1.831 6.510 1.00 15.00 H new ATOM 0 HA VAL A 22 2.289 1.188 6.679 1.00 15.00 H new ATOM 0 HB VAL A 22 2.884 -0.802 5.374 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.807 0.276 3.351 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.575 1.291 4.137 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.302 1.676 4.331 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.204 -1.247 4.677 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.764 0.092 5.707 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.012 -1.343 6.443 1.00 15.00 H new ATOM 331 N THR A 23 2.302 -0.806 8.201 1.00 15.00 N ATOM 332 CA THR A 23 2.210 -1.722 9.323 1.00 15.00 C ATOM 333 C THR A 23 1.269 -2.881 8.992 1.00 15.00 C ATOM 334 O THR A 23 0.625 -2.890 7.939 1.00 15.00 O ATOM 335 CB THR A 23 1.725 -0.968 10.560 1.00 15.00 C ATOM 336 OG1 THR A 23 1.888 0.428 10.385 1.00 15.00 O ATOM 337 CG2 THR A 23 2.460 -1.357 11.819 1.00 15.00 C ATOM 0 H THR A 23 1.456 -0.755 7.634 1.00 15.00 H new ATOM 0 HA THR A 23 3.197 -2.138 9.527 1.00 15.00 H new ATOM 0 HB THR A 23 0.674 -1.236 10.673 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.827 0.668 10.528 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.068 -0.786 12.660 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.321 -2.422 12.007 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.523 -1.145 11.700 1.00 15.00 H new ATOM 345 N GLY A 24 1.192 -3.857 9.891 1.00 15.00 N ATOM 346 CA GLY A 24 0.326 -5.000 9.665 1.00 15.00 C ATOM 347 C GLY A 24 0.958 -6.030 8.752 1.00 15.00 C ATOM 348 O GLY A 24 2.010 -6.585 9.067 1.00 15.00 O ATOM 0 H GLY A 24 1.711 -3.877 10.769 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.085 -5.465 10.621 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.614 -4.660 9.230 1.00 15.00 H new ATOM 352 N GLY A 25 0.320 -6.274 7.612 1.00 15.00 N ATOM 353 CA GLY A 25 0.843 -7.231 6.653 1.00 15.00 C ATOM 354 C GLY A 25 0.827 -8.661 7.156 1.00 15.00 C ATOM 355 O GLY A 25 0.119 -9.505 6.607 1.00 15.00 O ATOM 0 H GLY A 25 -0.553 -5.825 7.334 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.258 -7.170 5.735 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.866 -6.955 6.398 1.00 15.00 H new ATOM 359 N VAL A 26 1.625 -8.932 8.188 1.00 15.00 N ATOM 360 CA VAL A 26 1.734 -10.273 8.777 1.00 15.00 C ATOM 361 C VAL A 26 0.453 -11.086 8.612 1.00 15.00 C ATOM 362 O VAL A 26 -0.652 -10.561 8.748 1.00 15.00 O ATOM 363 CB VAL A 26 2.091 -10.202 10.276 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.590 -10.365 10.476 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.606 -8.895 10.881 1.00 15.00 C ATOM 0 H VAL A 26 2.214 -8.233 8.641 1.00 15.00 H new ATOM 0 HA VAL A 26 2.535 -10.774 8.234 1.00 15.00 H new ATOM 0 HB VAL A 26 1.587 -11.021 10.789 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.823 -10.312 11.539 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.907 -11.331 10.083 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.116 -9.569 9.949 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.868 -8.865 11.939 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.078 -8.058 10.366 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.524 -8.823 10.773 1.00 15.00 H new ATOM 375 N ASN A 27 0.615 -12.371 8.313 1.00 15.00 N ATOM 376 CA ASN A 27 -0.520 -13.266 8.123 1.00 15.00 C ATOM 377 C ASN A 27 -1.150 -13.643 9.461 1.00 15.00 C ATOM 378 O ASN A 27 -1.186 -14.816 9.834 1.00 15.00 O ATOM 379 CB ASN A 27 -0.076 -14.529 7.381 1.00 15.00 C ATOM 380 CG ASN A 27 0.732 -14.215 6.137 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.185 -14.090 5.042 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.044 -14.087 6.301 1.00 15.00 N ATOM 0 H ASN A 27 1.525 -12.817 8.197 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.268 -12.743 7.527 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.519 -15.150 8.050 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.954 -15.111 7.103 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.640 -13.877 5.500 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.455 -14.199 7.228 1.00 15.00 H new ATOM 389 N THR A 28 -1.645 -12.642 10.181 1.00 15.00 N ATOM 390 CA THR A 28 -2.273 -12.871 11.477 1.00 15.00 C ATOM 391 C THR A 28 -3.322 -11.804 11.770 1.00 15.00 C ATOM 392 O THR A 28 -4.512 -12.100 11.874 1.00 15.00 O ATOM 393 CB THR A 28 -1.218 -12.883 12.584 1.00 15.00 C ATOM 394 OG1 THR A 28 0.019 -13.370 12.092 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.606 -13.735 13.773 1.00 15.00 C ATOM 0 H THR A 28 -1.624 -11.665 9.889 1.00 15.00 H new ATOM 0 HA THR A 28 -2.768 -13.842 11.446 1.00 15.00 H new ATOM 0 HB THR A 28 -1.133 -11.847 12.913 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.682 -13.369 12.814 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.814 -13.699 14.521 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.531 -13.355 14.206 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.753 -14.765 13.450 1.00 15.00 H new ATOM 403 N SER A 29 -2.872 -10.560 11.903 1.00 15.00 N ATOM 404 CA SER A 29 -3.770 -9.447 12.185 1.00 15.00 C ATOM 405 C SER A 29 -4.665 -9.151 10.986 1.00 15.00 C ATOM 406 O SER A 29 -5.881 -9.025 11.122 1.00 15.00 O ATOM 407 CB SER A 29 -2.968 -8.199 12.558 1.00 15.00 C ATOM 408 OG SER A 29 -2.309 -7.659 11.425 1.00 15.00 O ATOM 0 H SER A 29 -1.890 -10.298 11.820 1.00 15.00 H new ATOM 0 HA SER A 29 -4.403 -9.729 13.026 1.00 15.00 H new ATOM 0 HB2 SER A 29 -3.634 -7.450 12.987 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.234 -8.450 13.324 1.00 15.00 H new ATOM 0 HG SER A 29 -1.805 -6.861 11.689 1.00 15.00 H new ATOM 414 N VAL A 30 -4.053 -9.040 9.811 1.00 15.00 N ATOM 415 CA VAL A 30 -4.794 -8.758 8.588 1.00 15.00 C ATOM 416 C VAL A 30 -5.636 -9.959 8.166 1.00 15.00 C ATOM 417 O VAL A 30 -5.727 -10.950 8.890 1.00 15.00 O ATOM 418 CB VAL A 30 -3.845 -8.370 7.435 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.001 -7.166 7.823 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.960 -9.545 7.046 1.00 15.00 C ATOM 0 H VAL A 30 -3.046 -9.141 9.681 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.454 -7.917 8.801 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.450 -8.101 6.569 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.337 -6.906 6.998 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.653 -6.321 8.045 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.407 -7.407 8.705 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.299 -9.249 6.231 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.363 -9.851 7.905 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.583 -10.379 6.723 1.00 15.00 H new ATOM 430 N ARG A 31 -6.252 -9.863 6.991 1.00 15.00 N ATOM 431 CA ARG A 31 -7.088 -10.942 6.475 1.00 15.00 C ATOM 432 C ARG A 31 -6.311 -12.254 6.409 1.00 15.00 C ATOM 433 O ARG A 31 -6.609 -13.200 7.138 1.00 15.00 O ATOM 434 CB ARG A 31 -7.625 -10.579 5.088 1.00 15.00 C ATOM 435 CG ARG A 31 -9.142 -10.487 5.027 1.00 15.00 C ATOM 436 CD ARG A 31 -9.780 -11.861 4.889 1.00 15.00 C ATOM 437 NE ARG A 31 -10.413 -12.042 3.585 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.295 -13.002 3.316 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.650 -13.868 4.258 1.00 15.00 N ATOM 440 NH2 ARG A 31 -11.824 -13.097 2.104 1.00 15.00 N ATOM 0 H ARG A 31 -6.188 -9.050 6.379 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.927 -11.076 7.158 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.199 -9.624 4.781 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.285 -11.325 4.369 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.514 -10.001 5.929 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.436 -9.862 4.184 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.021 -12.629 5.033 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -10.523 -11.996 5.675 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.165 -11.395 2.837 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.246 -13.799 5.192 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.326 -14.602 4.047 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -11.555 -12.434 1.377 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.500 -13.833 1.899 1.00 15.00 H new ATOM 454 N HIS A 32 -5.316 -12.306 5.529 1.00 15.00 N ATOM 455 CA HIS A 32 -4.500 -13.505 5.367 1.00 15.00 C ATOM 456 C HIS A 32 -3.028 -13.146 5.187 1.00 15.00 C ATOM 457 O HIS A 32 -2.152 -13.757 5.798 1.00 15.00 O ATOM 458 CB HIS A 32 -4.988 -14.320 4.169 1.00 15.00 C ATOM 459 CG HIS A 32 -5.268 -13.489 2.955 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.523 -13.012 2.643 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.445 -13.048 1.974 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.461 -12.314 1.523 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.211 -12.319 1.097 1.00 15.00 N ATOM 0 H HIS A 32 -5.055 -11.533 4.917 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.599 -14.105 6.272 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.238 -15.071 3.921 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.895 -14.856 4.450 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -7.368 -13.173 3.191 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.384 -13.235 1.896 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.292 -11.823 1.038 1.00 15.00 H new ATOM 472 N GLY A 33 -2.762 -12.157 4.341 1.00 15.00 N ATOM 473 CA GLY A 33 -1.394 -11.736 4.092 1.00 15.00 C ATOM 474 C GLY A 33 -1.319 -10.429 3.326 1.00 15.00 C ATOM 475 O GLY A 33 -0.325 -10.152 2.655 1.00 15.00 O ATOM 0 H GLY A 33 -3.470 -11.638 3.822 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.872 -11.627 5.043 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.875 -12.513 3.531 1.00 15.00 H new ATOM 479 N GLY A 34 -2.362 -9.612 3.444 1.00 15.00 N ATOM 480 CA GLY A 34 -2.376 -8.328 2.774 1.00 15.00 C ATOM 481 C GLY A 34 -1.886 -7.244 3.702 1.00 15.00 C ATOM 482 O GLY A 34 -2.010 -7.377 4.920 1.00 15.00 O ATOM 0 H GLY A 34 -3.197 -9.818 3.992 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.745 -8.367 1.886 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.387 -8.098 2.437 1.00 15.00 H new ATOM 486 N ILE A 35 -1.315 -6.177 3.159 1.00 15.00 N ATOM 487 CA ILE A 35 -0.808 -5.116 4.015 1.00 15.00 C ATOM 488 C ILE A 35 -1.807 -3.986 4.186 1.00 15.00 C ATOM 489 O ILE A 35 -2.645 -3.731 3.322 1.00 15.00 O ATOM 490 CB ILE A 35 0.544 -4.554 3.520 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.534 -4.524 4.688 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.384 -3.168 2.900 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.739 -3.634 4.467 1.00 15.00 C ATOM 0 H ILE A 35 -1.194 -6.025 2.158 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.647 -5.579 4.989 1.00 15.00 H new ATOM 0 HB ILE A 35 0.930 -5.206 2.737 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.010 -4.189 5.583 1.00 15.00 H new ATOM 0 HG13 ILE A 35 1.879 -5.540 4.882 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.355 -2.806 2.564 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.296 -3.226 2.050 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.022 -2.482 3.643 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.386 -3.673 5.343 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.291 -3.979 3.593 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.409 -2.608 4.305 1.00 15.00 H new ATOM 505 N TYR A 36 -1.685 -3.307 5.313 1.00 15.00 N ATOM 506 CA TYR A 36 -2.541 -2.181 5.639 1.00 15.00 C ATOM 507 C TYR A 36 -1.688 -1.047 6.182 1.00 15.00 C ATOM 508 O TYR A 36 -1.182 -1.120 7.302 1.00 15.00 O ATOM 509 CB TYR A 36 -3.599 -2.593 6.663 1.00 15.00 C ATOM 510 CG TYR A 36 -4.618 -3.567 6.117 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.274 -4.885 5.839 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.926 -3.166 5.877 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.204 -5.774 5.340 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.863 -4.051 5.378 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.498 -5.353 5.111 1.00 15.00 C ATOM 516 OH TYR A 36 -7.429 -6.237 4.615 1.00 15.00 O ATOM 0 H TYR A 36 -0.990 -3.521 6.028 1.00 15.00 H new ATOM 0 HA TYR A 36 -3.056 -1.846 4.739 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.104 -3.041 7.525 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.115 -1.702 7.020 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.262 -5.219 6.016 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.215 -2.146 6.084 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.920 -6.795 5.130 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.876 -3.724 5.198 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.291 -5.781 4.513 1.00 15.00 H new ATOM 526 N VAL A 37 -1.505 -0.014 5.373 1.00 15.00 N ATOM 527 CA VAL A 37 -0.676 1.116 5.774 1.00 15.00 C ATOM 528 C VAL A 37 -1.145 1.714 7.093 1.00 15.00 C ATOM 529 O VAL A 37 -2.334 1.726 7.397 1.00 15.00 O ATOM 530 CB VAL A 37 -0.616 2.233 4.691 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.848 1.682 3.299 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.594 3.363 4.962 1.00 15.00 C ATOM 0 H VAL A 37 -1.915 0.067 4.442 1.00 15.00 H new ATOM 0 HA VAL A 37 0.329 0.714 5.899 1.00 15.00 H new ATOM 0 HB VAL A 37 0.394 2.640 4.745 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.798 2.494 2.573 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.082 0.941 3.068 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.831 1.214 3.252 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.510 4.114 4.176 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.610 2.969 4.979 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.365 3.819 5.925 1.00 15.00 H new ATOM 542 N LYS A 38 -0.201 2.235 7.860 1.00 15.00 N ATOM 543 CA LYS A 38 -0.529 2.867 9.124 1.00 15.00 C ATOM 544 C LYS A 38 -1.023 4.281 8.844 1.00 15.00 C ATOM 545 O LYS A 38 -2.078 4.688 9.326 1.00 15.00 O ATOM 546 CB LYS A 38 0.686 2.858 10.066 1.00 15.00 C ATOM 547 CG LYS A 38 0.976 4.180 10.774 1.00 15.00 C ATOM 548 CD LYS A 38 1.272 3.963 12.250 1.00 15.00 C ATOM 549 CE LYS A 38 2.332 2.894 12.455 1.00 15.00 C ATOM 550 NZ LYS A 38 3.435 3.365 13.338 1.00 15.00 N ATOM 0 H LYS A 38 0.793 2.232 7.630 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.319 2.312 9.629 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.533 2.087 10.821 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.567 2.572 9.492 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.825 4.671 10.299 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.121 4.848 10.667 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.607 4.899 12.696 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.357 3.673 12.767 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.873 2.007 12.890 1.00 15.00 H new ATOM 0 HE3 LYS A 38 2.742 2.599 11.489 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 4.137 2.606 13.452 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 3.891 4.196 12.911 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 3.049 3.622 14.269 1.00 15.00 H new ATOM 564 N ALA A 39 -0.257 5.018 8.042 1.00 15.00 N ATOM 565 CA ALA A 39 -0.621 6.378 7.669 1.00 15.00 C ATOM 566 C ALA A 39 0.320 6.918 6.601 1.00 15.00 C ATOM 567 O ALA A 39 1.325 6.288 6.281 1.00 15.00 O ATOM 568 CB ALA A 39 -0.631 7.281 8.889 1.00 15.00 C ATOM 0 H ALA A 39 0.621 4.693 7.638 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.627 6.360 7.250 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.905 8.293 8.590 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.356 6.907 9.612 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.361 7.292 9.341 1.00 15.00 H new ATOM 574 N VAL A 40 0.002 8.096 6.068 1.00 15.00 N ATOM 575 CA VAL A 40 0.836 8.727 5.043 1.00 15.00 C ATOM 576 C VAL A 40 1.769 9.742 5.696 1.00 15.00 C ATOM 577 O VAL A 40 1.321 10.744 6.253 1.00 15.00 O ATOM 578 CB VAL A 40 -0.004 9.432 3.949 1.00 15.00 C ATOM 579 CG1 VAL A 40 0.021 8.636 2.652 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.436 9.648 4.412 1.00 15.00 C ATOM 0 H VAL A 40 -0.825 8.633 6.327 1.00 15.00 H new ATOM 0 HA VAL A 40 1.410 7.936 4.559 1.00 15.00 H new ATOM 0 HB VAL A 40 0.444 10.408 3.764 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.575 9.150 1.898 1.00 15.00 H new ATOM 0 HG12 VAL A 40 1.049 8.544 2.301 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.393 7.643 2.827 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.002 10.145 3.624 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.895 8.685 4.637 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.439 10.269 5.308 1.00 15.00 H new ATOM 590 N ILE A 41 3.064 9.447 5.668 1.00 15.00 N ATOM 591 CA ILE A 41 4.057 10.304 6.305 1.00 15.00 C ATOM 592 C ILE A 41 4.402 11.545 5.483 1.00 15.00 C ATOM 593 O ILE A 41 4.897 11.444 4.359 1.00 15.00 O ATOM 594 CB ILE A 41 5.340 9.504 6.656 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.077 8.513 7.802 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.484 10.434 7.029 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.632 8.078 7.941 1.00 15.00 C ATOM 0 H ILE A 41 3.451 8.621 5.211 1.00 15.00 H new ATOM 0 HA ILE A 41 3.600 10.662 7.227 1.00 15.00 H new ATOM 0 HB ILE A 41 5.626 8.943 5.766 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.696 7.629 7.649 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.397 8.968 8.739 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.369 9.844 7.270 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.705 11.094 6.190 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.200 11.031 7.895 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.541 7.380 8.773 1.00 15.00 H new ATOM 0 HD12 ILE A 41 3.006 8.950 8.128 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.309 7.590 7.021 1.00 15.00 H new ATOM 609 N PRO A 42 4.148 12.744 6.064 1.00 15.00 N ATOM 610 CA PRO A 42 4.426 14.033 5.416 1.00 15.00 C ATOM 611 C PRO A 42 5.916 14.274 5.185 1.00 15.00 C ATOM 612 O PRO A 42 6.486 15.232 5.708 1.00 15.00 O ATOM 613 CB PRO A 42 3.871 15.064 6.404 1.00 15.00 C ATOM 614 CG PRO A 42 3.864 14.368 7.718 1.00 15.00 C ATOM 615 CD PRO A 42 3.574 12.929 7.412 1.00 15.00 C ATOM 0 HA PRO A 42 3.976 14.082 4.425 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.494 15.958 6.434 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.868 15.383 6.120 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.824 14.475 8.223 1.00 15.00 H new ATOM 0 HG3 PRO A 42 3.107 14.788 8.380 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.036 12.262 8.140 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.504 12.723 7.425 1.00 15.00 H new ATOM 623 N GLN A 43 6.546 13.406 4.400 1.00 15.00 N ATOM 624 CA GLN A 43 7.968 13.543 4.111 1.00 15.00 C ATOM 625 C GLN A 43 8.325 12.958 2.745 1.00 15.00 C ATOM 626 O GLN A 43 9.075 13.566 1.981 1.00 15.00 O ATOM 627 CB GLN A 43 8.797 12.863 5.203 1.00 15.00 C ATOM 628 CG GLN A 43 9.403 13.836 6.201 1.00 15.00 C ATOM 629 CD GLN A 43 9.358 13.316 7.624 1.00 15.00 C ATOM 630 OE1 GLN A 43 8.283 13.114 8.190 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.528 13.095 8.211 1.00 15.00 N ATOM 0 H GLN A 43 6.097 12.605 3.955 1.00 15.00 H new ATOM 0 HA GLN A 43 8.200 14.608 4.090 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.166 12.153 5.738 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.597 12.289 4.736 1.00 15.00 H new ATOM 0 HG2 GLN A 43 10.438 14.037 5.924 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.869 14.785 6.148 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.395 13.276 7.705 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.560 12.744 9.168 1.00 15.00 H new ATOM 640 N GLY A 44 7.801 11.773 2.448 1.00 15.00 N ATOM 641 CA GLY A 44 8.103 11.134 1.176 1.00 15.00 C ATOM 642 C GLY A 44 7.166 11.538 0.052 1.00 15.00 C ATOM 643 O GLY A 44 6.104 12.114 0.284 1.00 15.00 O ATOM 0 H GLY A 44 7.177 11.246 3.059 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.126 11.379 0.890 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.058 10.052 1.303 1.00 15.00 H new ATOM 647 N ALA A 45 7.576 11.223 -1.173 1.00 15.00 N ATOM 648 CA ALA A 45 6.804 11.545 -2.372 1.00 15.00 C ATOM 649 C ALA A 45 5.379 10.993 -2.325 1.00 15.00 C ATOM 650 O ALA A 45 4.526 11.407 -3.110 1.00 15.00 O ATOM 651 CB ALA A 45 7.521 11.017 -3.605 1.00 15.00 C ATOM 0 H ALA A 45 8.452 10.737 -1.364 1.00 15.00 H new ATOM 0 HA ALA A 45 6.725 12.631 -2.419 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.941 11.260 -4.495 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.507 11.477 -3.678 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.630 9.935 -3.527 1.00 15.00 H new ATOM 657 N ALA A 46 5.122 10.057 -1.420 1.00 15.00 N ATOM 658 CA ALA A 46 3.796 9.461 -1.305 1.00 15.00 C ATOM 659 C ALA A 46 2.803 10.441 -0.699 1.00 15.00 C ATOM 660 O ALA A 46 1.775 10.748 -1.304 1.00 15.00 O ATOM 661 CB ALA A 46 3.854 8.193 -0.471 1.00 15.00 C ATOM 0 H ALA A 46 5.809 9.696 -0.758 1.00 15.00 H new ATOM 0 HA ALA A 46 3.455 9.209 -2.309 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.856 7.761 -0.395 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.525 7.476 -0.945 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.223 8.430 0.527 1.00 15.00 H new ATOM 667 N GLU A 47 3.114 10.933 0.496 1.00 15.00 N ATOM 668 CA GLU A 47 2.242 11.886 1.174 1.00 15.00 C ATOM 669 C GLU A 47 2.009 13.114 0.294 1.00 15.00 C ATOM 670 O GLU A 47 0.895 13.631 0.212 1.00 15.00 O ATOM 671 CB GLU A 47 2.854 12.321 2.515 1.00 15.00 C ATOM 672 CG GLU A 47 4.070 13.214 2.338 1.00 15.00 C ATOM 673 CD GLU A 47 3.703 14.675 2.153 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.546 15.039 2.450 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.574 15.454 1.712 1.00 15.00 O ATOM 0 H GLU A 47 3.959 10.689 1.013 1.00 15.00 H new ATOM 0 HA GLU A 47 1.287 11.396 1.364 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.101 12.850 3.100 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.137 11.436 3.085 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.719 13.114 3.208 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.642 12.875 1.474 1.00 15.00 H new ATOM 682 N SER A 48 3.079 13.579 -0.353 1.00 15.00 N ATOM 683 CA SER A 48 3.009 14.752 -1.218 1.00 15.00 C ATOM 684 C SER A 48 1.919 14.588 -2.265 1.00 15.00 C ATOM 685 O SER A 48 0.894 15.268 -2.219 1.00 15.00 O ATOM 686 CB SER A 48 4.359 14.992 -1.899 1.00 15.00 C ATOM 687 OG SER A 48 4.568 16.372 -2.146 1.00 15.00 O ATOM 0 H SER A 48 4.006 13.158 -0.292 1.00 15.00 H new ATOM 0 HA SER A 48 2.766 15.616 -0.599 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.161 14.607 -1.269 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.399 14.441 -2.839 1.00 15.00 H new ATOM 0 HG SER A 48 5.438 16.499 -2.580 1.00 15.00 H new ATOM 693 N ASP A 49 2.134 13.672 -3.201 1.00 15.00 N ATOM 694 CA ASP A 49 1.151 13.418 -4.240 1.00 15.00 C ATOM 695 C ASP A 49 -0.132 12.896 -3.611 1.00 15.00 C ATOM 696 O ASP A 49 -1.235 13.252 -4.025 1.00 15.00 O ATOM 697 CB ASP A 49 1.691 12.408 -5.254 1.00 15.00 C ATOM 698 CG ASP A 49 0.734 12.176 -6.407 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.460 11.918 -6.145 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.178 12.251 -7.572 1.00 15.00 O ATOM 0 H ASP A 49 2.975 13.098 -3.260 1.00 15.00 H new ATOM 0 HA ASP A 49 0.941 14.350 -4.764 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.645 12.763 -5.644 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.885 11.461 -4.751 1.00 15.00 H new ATOM 705 N GLY A 50 0.031 12.050 -2.600 1.00 15.00 N ATOM 706 CA GLY A 50 -1.108 11.485 -1.909 1.00 15.00 C ATOM 707 C GLY A 50 -1.696 10.310 -2.663 1.00 15.00 C ATOM 708 O GLY A 50 -2.911 10.215 -2.831 1.00 15.00 O ATOM 0 H GLY A 50 0.938 11.745 -2.247 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.806 11.163 -0.912 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.871 12.252 -1.778 1.00 15.00 H new ATOM 712 N ARG A 51 -0.828 9.418 -3.130 1.00 15.00 N ATOM 713 CA ARG A 51 -1.264 8.249 -3.884 1.00 15.00 C ATOM 714 C ARG A 51 -1.781 7.168 -2.944 1.00 15.00 C ATOM 715 O ARG A 51 -2.898 6.674 -3.100 1.00 15.00 O ATOM 716 CB ARG A 51 -0.104 7.705 -4.721 1.00 15.00 C ATOM 717 CG ARG A 51 -0.460 7.454 -6.176 1.00 15.00 C ATOM 718 CD ARG A 51 -0.919 8.724 -6.871 1.00 15.00 C ATOM 719 NE ARG A 51 -2.374 8.799 -6.972 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.017 9.620 -7.799 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.337 10.435 -8.596 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.343 9.626 -7.830 1.00 15.00 N ATOM 0 H ARG A 51 0.182 9.483 -2.999 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.075 8.547 -4.548 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.726 8.411 -4.677 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.246 6.773 -4.277 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.406 7.047 -6.697 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.248 6.703 -6.233 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.549 9.591 -6.323 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.484 8.768 -7.869 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.929 8.187 -6.374 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -1.317 10.434 -8.576 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -2.834 11.062 -9.228 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.870 9.001 -7.220 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.835 10.255 -8.464 1.00 15.00 H new ATOM 736 N ILE A 52 -0.962 6.811 -1.964 1.00 15.00 N ATOM 737 CA ILE A 52 -1.326 5.799 -0.991 1.00 15.00 C ATOM 738 C ILE A 52 -2.190 6.409 0.115 1.00 15.00 C ATOM 739 O ILE A 52 -2.268 7.631 0.243 1.00 15.00 O ATOM 740 CB ILE A 52 -0.059 5.158 -0.395 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.412 3.901 0.394 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.693 6.158 0.472 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.204 2.890 -0.403 1.00 15.00 C ATOM 0 H ILE A 52 -0.035 7.213 -1.824 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.906 5.024 -1.491 1.00 15.00 H new ATOM 0 HB ILE A 52 0.597 4.866 -1.215 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.507 3.434 0.747 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.985 4.185 1.277 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.585 5.685 0.883 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.984 7.017 -0.132 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.049 6.489 1.287 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.419 2.023 0.221 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.140 3.340 -0.734 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.625 2.577 -1.272 1.00 15.00 H new ATOM 755 N HIS A 53 -2.851 5.563 0.902 1.00 15.00 N ATOM 756 CA HIS A 53 -3.717 6.045 1.975 1.00 15.00 C ATOM 757 C HIS A 53 -3.739 5.104 3.162 1.00 15.00 C ATOM 758 O HIS A 53 -3.414 3.925 3.056 1.00 15.00 O ATOM 759 CB HIS A 53 -5.138 6.266 1.455 1.00 15.00 C ATOM 760 CG HIS A 53 -5.255 7.412 0.499 1.00 15.00 C ATOM 761 ND1 HIS A 53 -4.890 7.326 -0.828 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.700 8.678 0.683 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.104 8.489 -1.418 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.596 9.325 -0.523 1.00 15.00 N ATOM 0 H HIS A 53 -2.804 4.548 0.818 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.304 6.994 2.317 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.481 5.356 0.962 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.803 6.440 2.301 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.068 9.100 1.607 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -4.909 8.717 -2.456 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.857 10.295 -0.699 1.00 15.00 H new ATOM 773 N LYS A 54 -4.108 5.671 4.300 1.00 15.00 N ATOM 774 CA LYS A 54 -4.168 4.955 5.562 1.00 15.00 C ATOM 775 C LYS A 54 -4.801 3.566 5.431 1.00 15.00 C ATOM 776 O LYS A 54 -5.851 3.402 4.809 1.00 15.00 O ATOM 777 CB LYS A 54 -4.949 5.781 6.587 1.00 15.00 C ATOM 778 CG LYS A 54 -4.071 6.459 7.622 1.00 15.00 C ATOM 779 CD LYS A 54 -4.881 6.928 8.819 1.00 15.00 C ATOM 780 CE LYS A 54 -5.001 5.839 9.872 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.324 6.395 11.214 1.00 15.00 N ATOM 0 H LYS A 54 -4.377 6.652 4.373 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.140 4.808 5.894 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.529 6.540 6.062 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.661 5.132 7.097 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.297 5.767 7.954 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.564 7.311 7.169 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.409 7.808 9.256 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.876 7.229 8.491 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.776 5.132 9.576 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.066 5.282 9.926 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.397 5.619 11.903 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.572 7.050 11.509 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.229 6.905 11.170 1.00 15.00 H new ATOM 795 N GLY A 55 -4.153 2.575 6.045 1.00 15.00 N ATOM 796 CA GLY A 55 -4.651 1.209 6.021 1.00 15.00 C ATOM 797 C GLY A 55 -5.003 0.715 4.634 1.00 15.00 C ATOM 798 O GLY A 55 -5.902 -0.112 4.479 1.00 15.00 O ATOM 0 H GLY A 55 -3.283 2.698 6.563 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.898 0.549 6.452 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.534 1.142 6.656 1.00 15.00 H new ATOM 802 N ASP A 56 -4.298 1.204 3.621 1.00 15.00 N ATOM 803 CA ASP A 56 -4.566 0.774 2.254 1.00 15.00 C ATOM 804 C ASP A 56 -4.221 -0.700 2.073 1.00 15.00 C ATOM 805 O ASP A 56 -3.126 -1.137 2.429 1.00 15.00 O ATOM 806 CB ASP A 56 -3.789 1.624 1.246 1.00 15.00 C ATOM 807 CG ASP A 56 -4.705 2.472 0.388 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.780 1.971 -0.005 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.349 3.635 0.108 1.00 15.00 O ATOM 0 H ASP A 56 -3.548 1.888 3.717 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.631 0.909 2.068 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.092 2.270 1.779 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.194 0.973 0.606 1.00 15.00 H new ATOM 814 N ARG A 57 -5.156 -1.459 1.509 1.00 15.00 N ATOM 815 CA ARG A 57 -4.942 -2.881 1.269 1.00 15.00 C ATOM 816 C ARG A 57 -4.137 -3.082 -0.009 1.00 15.00 C ATOM 817 O ARG A 57 -4.700 -3.190 -1.098 1.00 15.00 O ATOM 818 CB ARG A 57 -6.283 -3.613 1.170 1.00 15.00 C ATOM 819 CG ARG A 57 -6.401 -4.793 2.121 1.00 15.00 C ATOM 820 CD ARG A 57 -6.236 -6.119 1.395 1.00 15.00 C ATOM 821 NE ARG A 57 -7.280 -7.075 1.755 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.167 -8.392 1.599 1.00 15.00 C ATOM 823 NH1 ARG A 57 -6.059 -8.914 1.087 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.164 -9.189 1.956 1.00 15.00 N ATOM 0 H ARG A 57 -6.068 -1.113 1.210 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.381 -3.295 2.107 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -7.089 -2.908 1.376 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.421 -3.965 0.148 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.645 -4.709 2.901 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.372 -4.767 2.615 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -6.257 -5.948 0.319 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -5.260 -6.542 1.631 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.148 -6.712 2.150 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -5.289 -8.305 0.811 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -5.978 -9.924 0.970 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.017 -8.793 2.350 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.078 -10.198 1.837 1.00 15.00 H new ATOM 838 N VAL A 58 -2.815 -3.113 0.126 1.00 15.00 N ATOM 839 CA VAL A 58 -1.937 -3.281 -1.025 1.00 15.00 C ATOM 840 C VAL A 58 -1.790 -4.753 -1.410 1.00 15.00 C ATOM 841 O VAL A 58 -1.249 -5.561 -0.647 1.00 15.00 O ATOM 842 CB VAL A 58 -0.547 -2.645 -0.776 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.683 -1.358 0.026 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.395 -3.613 -0.071 1.00 15.00 C ATOM 0 H VAL A 58 -2.330 -3.024 1.019 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.404 -2.759 -1.860 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.115 -2.410 -1.748 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.304 -0.926 0.191 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.302 -0.650 -0.525 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.149 -1.576 0.987 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.360 -3.132 0.087 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.030 -3.898 0.891 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.529 -4.503 -0.686 1.00 15.00 H new ATOM 854 N LEU A 59 -2.297 -5.092 -2.595 1.00 15.00 N ATOM 855 CA LEU A 59 -2.242 -6.464 -3.095 1.00 15.00 C ATOM 856 C LEU A 59 -1.234 -6.632 -4.238 1.00 15.00 C ATOM 857 O LEU A 59 -0.921 -7.756 -4.625 1.00 15.00 O ATOM 858 CB LEU A 59 -3.627 -6.912 -3.562 1.00 15.00 C ATOM 859 CG LEU A 59 -4.651 -7.125 -2.445 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.098 -8.066 -1.385 1.00 15.00 C ATOM 861 CD2 LEU A 59 -5.046 -5.794 -1.824 1.00 15.00 C ATOM 0 H LEU A 59 -2.751 -4.433 -3.227 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.908 -7.090 -2.268 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.018 -6.167 -4.255 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.522 -7.843 -4.120 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.542 -7.581 -2.877 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.840 -8.205 -0.599 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.865 -9.029 -1.839 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.192 -7.639 -0.956 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.775 -5.964 -1.032 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.163 -5.311 -1.407 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.484 -5.152 -2.588 1.00 15.00 H new ATOM 873 N ALA A 60 -0.750 -5.525 -4.801 1.00 15.00 N ATOM 874 CA ALA A 60 0.192 -5.600 -5.919 1.00 15.00 C ATOM 875 C ALA A 60 1.161 -4.418 -5.953 1.00 15.00 C ATOM 876 O ALA A 60 0.822 -3.303 -5.561 1.00 15.00 O ATOM 877 CB ALA A 60 -0.573 -5.686 -7.231 1.00 15.00 C ATOM 0 H ALA A 60 -0.990 -4.578 -4.507 1.00 15.00 H new ATOM 0 HA ALA A 60 0.792 -6.499 -5.777 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.132 -5.742 -8.060 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.201 -6.577 -7.228 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.199 -4.801 -7.346 1.00 15.00 H new ATOM 883 N VAL A 61 2.366 -4.684 -6.454 1.00 15.00 N ATOM 884 CA VAL A 61 3.409 -3.670 -6.586 1.00 15.00 C ATOM 885 C VAL A 61 4.177 -3.900 -7.875 1.00 15.00 C ATOM 886 O VAL A 61 5.046 -4.770 -7.943 1.00 15.00 O ATOM 887 CB VAL A 61 4.395 -3.698 -5.407 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.355 -2.522 -5.486 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.647 -3.700 -4.085 1.00 15.00 C ATOM 0 H VAL A 61 2.646 -5.609 -6.780 1.00 15.00 H new ATOM 0 HA VAL A 61 2.920 -2.696 -6.595 1.00 15.00 H new ATOM 0 HB VAL A 61 4.979 -4.617 -5.467 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.045 -2.559 -4.643 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.917 -2.573 -6.418 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.792 -1.590 -5.453 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.362 -3.720 -3.262 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.035 -2.801 -4.012 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.007 -4.580 -4.031 1.00 15.00 H new ATOM 899 N ASN A 62 3.829 -3.142 -8.906 1.00 15.00 N ATOM 900 CA ASN A 62 4.466 -3.294 -10.205 1.00 15.00 C ATOM 901 C ASN A 62 4.139 -4.669 -10.787 1.00 15.00 C ATOM 902 O ASN A 62 4.792 -5.134 -11.721 1.00 15.00 O ATOM 903 CB ASN A 62 5.982 -3.107 -10.092 1.00 15.00 C ATOM 904 CG ASN A 62 6.394 -1.651 -10.200 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.307 -1.307 -10.950 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.720 -0.786 -9.449 1.00 15.00 N ATOM 0 H ASN A 62 3.111 -2.418 -8.868 1.00 15.00 H new ATOM 0 HA ASN A 62 4.080 -2.525 -10.874 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.325 -3.509 -9.139 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.476 -3.681 -10.876 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.953 0.207 -9.481 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.970 -1.115 -8.841 1.00 15.00 H new ATOM 913 N GLY A 63 3.109 -5.308 -10.226 1.00 15.00 N ATOM 914 CA GLY A 63 2.688 -6.615 -10.692 1.00 15.00 C ATOM 915 C GLY A 63 3.042 -7.742 -9.739 1.00 15.00 C ATOM 916 O GLY A 63 2.829 -8.912 -10.057 1.00 15.00 O ATOM 0 H GLY A 63 2.558 -4.936 -9.452 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.609 -6.606 -10.847 1.00 15.00 H new ATOM 0 HA3 GLY A 63 3.147 -6.812 -11.661 1.00 15.00 H new ATOM 920 N VAL A 64 3.567 -7.405 -8.564 1.00 15.00 N ATOM 921 CA VAL A 64 3.920 -8.421 -7.580 1.00 15.00 C ATOM 922 C VAL A 64 2.770 -8.642 -6.598 1.00 15.00 C ATOM 923 O VAL A 64 2.531 -7.830 -5.705 1.00 15.00 O ATOM 924 CB VAL A 64 5.215 -8.060 -6.813 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.959 -7.002 -5.753 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.829 -9.305 -6.192 1.00 15.00 C ATOM 0 H VAL A 64 3.756 -6.446 -8.273 1.00 15.00 H new ATOM 0 HA VAL A 64 4.106 -9.346 -8.125 1.00 15.00 H new ATOM 0 HB VAL A 64 5.922 -7.642 -7.530 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.890 -6.773 -5.235 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.576 -6.098 -6.226 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.227 -7.375 -5.036 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.739 -9.034 -5.656 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.119 -9.753 -5.497 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.070 -10.022 -6.977 1.00 15.00 H new ATOM 936 N SER A 65 2.050 -9.742 -6.779 1.00 15.00 N ATOM 937 CA SER A 65 0.918 -10.062 -5.918 1.00 15.00 C ATOM 938 C SER A 65 1.348 -10.152 -4.458 1.00 15.00 C ATOM 939 O SER A 65 2.291 -10.868 -4.119 1.00 15.00 O ATOM 940 CB SER A 65 0.275 -11.380 -6.355 1.00 15.00 C ATOM 941 OG SER A 65 0.551 -11.655 -7.718 1.00 15.00 O ATOM 0 H SER A 65 2.229 -10.427 -7.513 1.00 15.00 H new ATOM 0 HA SER A 65 0.187 -9.259 -6.011 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.648 -12.194 -5.734 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.803 -11.331 -6.202 1.00 15.00 H new ATOM 0 HG SER A 65 0.131 -12.503 -7.972 1.00 15.00 H new ATOM 947 N LEU A 66 0.648 -9.420 -3.598 1.00 15.00 N ATOM 948 CA LEU A 66 0.950 -9.412 -2.173 1.00 15.00 C ATOM 949 C LEU A 66 0.210 -10.534 -1.449 1.00 15.00 C ATOM 950 O LEU A 66 0.547 -10.877 -0.316 1.00 15.00 O ATOM 951 CB LEU A 66 0.581 -8.059 -1.560 1.00 15.00 C ATOM 952 CG LEU A 66 1.669 -7.425 -0.693 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.082 -8.374 0.421 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.871 -7.045 -1.545 1.00 15.00 C ATOM 0 H LEU A 66 -0.135 -8.823 -3.865 1.00 15.00 H new ATOM 0 HA LEU A 66 2.021 -9.577 -2.054 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.330 -7.368 -2.365 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.318 -8.184 -0.956 1.00 15.00 H new ATOM 0 HG LEU A 66 1.267 -6.519 -0.240 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.857 -7.907 1.028 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.218 -8.599 1.046 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.467 -9.297 -0.012 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.637 -6.595 -0.913 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.274 -7.937 -2.024 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.564 -6.330 -2.309 1.00 15.00 H new ATOM 966 N GLU A 67 -0.800 -11.103 -2.108 1.00 15.00 N ATOM 967 CA GLU A 67 -1.587 -12.188 -1.526 1.00 15.00 C ATOM 968 C GLU A 67 -0.683 -13.230 -0.872 1.00 15.00 C ATOM 969 O GLU A 67 -0.173 -14.131 -1.538 1.00 15.00 O ATOM 970 CB GLU A 67 -2.454 -12.848 -2.602 1.00 15.00 C ATOM 971 CG GLU A 67 -3.942 -12.810 -2.294 1.00 15.00 C ATOM 972 CD GLU A 67 -4.511 -14.182 -1.991 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.070 -14.803 -1.001 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.397 -14.637 -2.745 1.00 15.00 O ATOM 0 H GLU A 67 -1.092 -10.829 -3.046 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.233 -11.764 -0.757 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.276 -12.350 -3.555 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.143 -13.886 -2.721 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.116 -12.153 -1.442 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.474 -12.380 -3.143 1.00 15.00 H new ATOM 981 N GLY A 68 -0.484 -13.095 0.435 1.00 15.00 N ATOM 982 CA GLY A 68 0.363 -14.025 1.157 1.00 15.00 C ATOM 983 C GLY A 68 1.721 -13.433 1.479 1.00 15.00 C ATOM 984 O GLY A 68 2.736 -13.850 0.921 1.00 15.00 O ATOM 0 H GLY A 68 -0.895 -12.357 1.007 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.131 -14.320 2.083 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.495 -14.930 0.563 1.00 15.00 H new ATOM 988 N ALA A 69 1.740 -12.457 2.381 1.00 15.00 N ATOM 989 CA ALA A 69 2.981 -11.804 2.777 1.00 15.00 C ATOM 990 C ALA A 69 2.749 -10.847 3.941 1.00 15.00 C ATOM 991 O ALA A 69 1.717 -10.180 4.015 1.00 15.00 O ATOM 992 CB ALA A 69 3.588 -11.063 1.594 1.00 15.00 C ATOM 0 H ALA A 69 0.908 -12.101 2.852 1.00 15.00 H new ATOM 0 HA ALA A 69 3.679 -12.573 3.107 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.515 -10.580 1.904 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.798 -11.770 0.791 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.886 -10.308 1.239 1.00 15.00 H new ATOM 998 N THR A 70 3.713 -10.788 4.851 1.00 15.00 N ATOM 999 CA THR A 70 3.614 -9.917 6.016 1.00 15.00 C ATOM 1000 C THR A 70 3.834 -8.455 5.634 1.00 15.00 C ATOM 1001 O THR A 70 3.922 -8.114 4.455 1.00 15.00 O ATOM 1002 CB THR A 70 4.636 -10.334 7.075 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.937 -9.910 6.711 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.687 -11.830 7.302 1.00 15.00 C ATOM 0 H THR A 70 4.574 -11.334 4.805 1.00 15.00 H new ATOM 0 HA THR A 70 2.608 -10.017 6.424 1.00 15.00 H new ATOM 0 HB THR A 70 4.308 -9.854 7.997 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.559 -10.663 6.785 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.432 -12.057 8.065 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.710 -12.181 7.633 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.956 -12.330 6.372 1.00 15.00 H new ATOM 1012 N HIS A 71 3.918 -7.597 6.645 1.00 15.00 N ATOM 1013 CA HIS A 71 4.127 -6.170 6.435 1.00 15.00 C ATOM 1014 C HIS A 71 5.462 -5.923 5.746 1.00 15.00 C ATOM 1015 O HIS A 71 5.515 -5.362 4.652 1.00 15.00 O ATOM 1016 CB HIS A 71 4.043 -5.434 7.784 1.00 15.00 C ATOM 1017 CG HIS A 71 5.034 -4.324 7.974 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.732 -4.139 9.149 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.430 -3.329 7.145 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.511 -3.080 9.035 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.348 -2.570 7.830 1.00 15.00 N ATOM 0 H HIS A 71 3.844 -7.869 7.625 1.00 15.00 H new ATOM 0 HA HIS A 71 3.346 -5.781 5.782 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.039 -5.024 7.893 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.179 -6.161 8.584 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.088 -3.163 6.134 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.170 -2.696 9.799 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.826 -1.746 7.466 1.00 15.00 H new ATOM 1030 N LYS A 72 6.533 -6.357 6.390 1.00 15.00 N ATOM 1031 CA LYS A 72 7.872 -6.198 5.839 1.00 15.00 C ATOM 1032 C LYS A 72 7.939 -6.755 4.422 1.00 15.00 C ATOM 1033 O LYS A 72 8.655 -6.229 3.571 1.00 15.00 O ATOM 1034 CB LYS A 72 8.890 -6.905 6.732 1.00 15.00 C ATOM 1035 CG LYS A 72 10.332 -6.554 6.410 1.00 15.00 C ATOM 1036 CD LYS A 72 11.301 -7.535 7.051 1.00 15.00 C ATOM 1037 CE LYS A 72 11.227 -7.481 8.569 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.234 -8.841 9.174 1.00 15.00 N ATOM 0 H LYS A 72 6.503 -6.823 7.297 1.00 15.00 H new ATOM 0 HA LYS A 72 8.109 -5.135 5.802 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.687 -6.650 7.772 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.758 -7.983 6.636 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.475 -6.554 5.329 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.549 -5.545 6.761 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.075 -8.546 6.711 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.317 -7.309 6.727 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.071 -6.908 8.953 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.321 -6.955 8.870 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.182 -8.761 10.210 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 10.415 -9.379 8.827 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.110 -9.335 8.908 1.00 15.00 H new ATOM 1052 N GLN A 73 7.178 -7.816 4.170 1.00 15.00 N ATOM 1053 CA GLN A 73 7.148 -8.426 2.848 1.00 15.00 C ATOM 1054 C GLN A 73 6.683 -7.403 1.821 1.00 15.00 C ATOM 1055 O GLN A 73 7.360 -7.160 0.822 1.00 15.00 O ATOM 1056 CB GLN A 73 6.228 -9.648 2.838 1.00 15.00 C ATOM 1057 CG GLN A 73 6.756 -10.809 3.664 1.00 15.00 C ATOM 1058 CD GLN A 73 6.349 -12.158 3.104 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.748 -12.976 3.800 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.677 -12.397 1.840 1.00 15.00 N ATOM 0 H GLN A 73 6.578 -8.268 4.860 1.00 15.00 H new ATOM 0 HA GLN A 73 8.154 -8.757 2.591 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.248 -9.358 3.217 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.087 -9.979 1.809 1.00 15.00 H new ATOM 0 HG2 GLN A 73 7.844 -10.752 3.710 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.389 -10.719 4.686 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.175 -11.690 1.300 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.431 -13.288 1.409 1.00 15.00 H new ATOM 1069 N ALA A 74 5.538 -6.783 2.090 1.00 15.00 N ATOM 1070 CA ALA A 74 5.008 -5.762 1.201 1.00 15.00 C ATOM 1071 C ALA A 74 5.917 -4.544 1.219 1.00 15.00 C ATOM 1072 O ALA A 74 6.220 -3.970 0.175 1.00 15.00 O ATOM 1073 CB ALA A 74 3.598 -5.376 1.597 1.00 15.00 C ATOM 0 H ALA A 74 4.964 -6.970 2.912 1.00 15.00 H new ATOM 0 HA ALA A 74 4.972 -6.167 0.190 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.225 -4.611 0.916 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.953 -6.253 1.546 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.600 -4.986 2.615 1.00 15.00 H new ATOM 1079 N VAL A 75 6.371 -4.172 2.417 1.00 15.00 N ATOM 1080 CA VAL A 75 7.277 -3.040 2.577 1.00 15.00 C ATOM 1081 C VAL A 75 8.354 -3.114 1.508 1.00 15.00 C ATOM 1082 O VAL A 75 8.745 -2.107 0.917 1.00 15.00 O ATOM 1083 CB VAL A 75 7.911 -3.047 3.990 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.406 -3.344 3.949 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.650 -1.738 4.708 1.00 15.00 C ATOM 0 H VAL A 75 6.124 -4.640 3.289 1.00 15.00 H new ATOM 0 HA VAL A 75 6.719 -2.110 2.466 1.00 15.00 H new ATOM 0 HB VAL A 75 7.434 -3.853 4.547 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.806 -3.338 4.963 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.570 -4.323 3.500 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.912 -2.583 3.355 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.106 -1.769 5.698 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.081 -0.917 4.135 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.575 -1.586 4.808 1.00 15.00 H new ATOM 1095 N GLU A 76 8.802 -4.336 1.255 1.00 15.00 N ATOM 1096 CA GLU A 76 9.809 -4.585 0.241 1.00 15.00 C ATOM 1097 C GLU A 76 9.245 -4.297 -1.148 1.00 15.00 C ATOM 1098 O GLU A 76 9.906 -3.672 -1.970 1.00 15.00 O ATOM 1099 CB GLU A 76 10.299 -6.033 0.319 1.00 15.00 C ATOM 1100 CG GLU A 76 10.849 -6.416 1.683 1.00 15.00 C ATOM 1101 CD GLU A 76 12.365 -6.416 1.721 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.985 -6.783 0.700 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.933 -6.050 2.771 1.00 15.00 O ATOM 0 H GLU A 76 8.480 -5.172 1.742 1.00 15.00 H new ATOM 0 HA GLU A 76 10.653 -3.920 0.423 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.475 -6.701 0.068 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.074 -6.187 -0.432 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.470 -5.720 2.432 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.482 -7.406 1.954 1.00 15.00 H new ATOM 1110 N THR A 77 8.018 -4.755 -1.407 1.00 15.00 N ATOM 1111 CA THR A 77 7.388 -4.530 -2.707 1.00 15.00 C ATOM 1112 C THR A 77 7.155 -3.045 -2.962 1.00 15.00 C ATOM 1113 O THR A 77 7.616 -2.501 -3.966 1.00 15.00 O ATOM 1114 CB THR A 77 6.070 -5.292 -2.820 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.076 -4.712 -1.996 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.186 -6.753 -2.448 1.00 15.00 C ATOM 0 H THR A 77 7.448 -5.278 -0.742 1.00 15.00 H new ATOM 0 HA THR A 77 8.074 -4.906 -3.466 1.00 15.00 H new ATOM 0 HB THR A 77 5.793 -5.225 -3.872 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.450 -4.534 -1.108 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.213 -7.233 -2.551 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.903 -7.241 -3.108 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.526 -6.840 -1.416 1.00 15.00 H new ATOM 1124 N LEU A 78 6.438 -2.388 -2.050 1.00 15.00 N ATOM 1125 CA LEU A 78 6.152 -0.961 -2.193 1.00 15.00 C ATOM 1126 C LEU A 78 7.447 -0.190 -2.399 1.00 15.00 C ATOM 1127 O LEU A 78 7.553 0.651 -3.292 1.00 15.00 O ATOM 1128 CB LEU A 78 5.427 -0.416 -0.957 1.00 15.00 C ATOM 1129 CG LEU A 78 4.427 -1.369 -0.299 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.667 -0.657 0.810 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.462 -1.933 -1.332 1.00 15.00 C ATOM 0 H LEU A 78 6.048 -2.817 -1.211 1.00 15.00 H new ATOM 0 HA LEU A 78 5.504 -0.833 -3.060 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.174 -0.134 -0.215 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.900 0.495 -1.240 1.00 15.00 H new ATOM 0 HG LEU A 78 4.981 -2.200 0.139 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.960 -1.348 1.268 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.370 -0.304 1.565 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.126 0.192 0.393 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.760 -2.608 -0.843 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.914 -1.116 -1.802 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.021 -2.479 -2.092 1.00 15.00 H new ATOM 1143 N ARG A 79 8.430 -0.497 -1.567 1.00 15.00 N ATOM 1144 CA ARG A 79 9.731 0.145 -1.643 1.00 15.00 C ATOM 1145 C ARG A 79 10.466 -0.271 -2.916 1.00 15.00 C ATOM 1146 O ARG A 79 10.807 0.565 -3.752 1.00 15.00 O ATOM 1147 CB ARG A 79 10.558 -0.221 -0.410 1.00 15.00 C ATOM 1148 CG ARG A 79 11.688 0.754 -0.123 1.00 15.00 C ATOM 1149 CD ARG A 79 13.026 0.209 -0.597 1.00 15.00 C ATOM 1150 NE ARG A 79 14.126 1.124 -0.304 1.00 15.00 N ATOM 1151 CZ ARG A 79 15.339 1.018 -0.840 1.00 15.00 C ATOM 1152 NH1 ARG A 79 15.610 0.041 -1.697 1.00 15.00 N ATOM 1153 NH2 ARG A 79 16.285 1.892 -0.520 1.00 15.00 N ATOM 0 H ARG A 79 8.349 -1.193 -0.826 1.00 15.00 H new ATOM 0 HA ARG A 79 9.588 1.225 -1.672 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.900 -0.267 0.458 1.00 15.00 H new ATOM 0 HB3 ARG A 79 10.976 -1.218 -0.546 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.485 1.704 -0.617 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.734 0.955 0.947 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.216 -0.751 -0.118 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.983 0.026 -1.671 1.00 15.00 H new ATOM 0 HE ARG A 79 13.954 1.888 0.349 1.00 15.00 H new ATOM 0 HH11 ARG A 79 14.887 -0.633 -1.947 1.00 15.00 H new ATOM 0 HH12 ARG A 79 16.542 -0.036 -2.105 1.00 15.00 H new ATOM 0 HH21 ARG A 79 16.082 2.645 0.137 1.00 15.00 H new ATOM 0 HH22 ARG A 79 17.215 1.810 -0.931 1.00 15.00 H new ATOM 1167 N ASN A 80 10.710 -1.573 -3.046 1.00 15.00 N ATOM 1168 CA ASN A 80 11.409 -2.126 -4.206 1.00 15.00 C ATOM 1169 C ASN A 80 10.604 -1.966 -5.497 1.00 15.00 C ATOM 1170 O ASN A 80 10.269 -2.954 -6.151 1.00 15.00 O ATOM 1171 CB ASN A 80 11.719 -3.607 -3.977 1.00 15.00 C ATOM 1172 CG ASN A 80 12.518 -3.840 -2.709 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.858 -2.898 -1.994 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.821 -5.102 -2.425 1.00 15.00 N ATOM 0 H ASN A 80 10.432 -2.271 -2.356 1.00 15.00 H new ATOM 0 HA ASN A 80 12.336 -1.565 -4.320 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.785 -4.167 -3.923 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.275 -3.995 -4.830 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.357 -5.321 -1.585 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.518 -5.852 -3.047 1.00 15.00 H new ATOM 1181 N THR A 81 10.313 -0.727 -5.878 1.00 15.00 N ATOM 1182 CA THR A 81 9.570 -0.472 -7.107 1.00 15.00 C ATOM 1183 C THR A 81 10.544 -0.180 -8.248 1.00 15.00 C ATOM 1184 O THR A 81 10.799 -1.040 -9.090 1.00 15.00 O ATOM 1185 CB THR A 81 8.587 0.688 -6.919 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.871 1.401 -5.729 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.139 0.238 -6.850 1.00 15.00 C ATOM 0 H THR A 81 10.577 0.110 -5.359 1.00 15.00 H new ATOM 0 HA THR A 81 8.990 -1.360 -7.358 1.00 15.00 H new ATOM 0 HB THR A 81 8.716 1.321 -7.797 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.345 1.028 -4.991 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.494 1.106 -6.716 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.872 -0.273 -7.775 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.009 -0.443 -6.009 1.00 15.00 H new ATOM 1195 N GLY A 82 11.106 1.026 -8.256 1.00 15.00 N ATOM 1196 CA GLY A 82 12.066 1.387 -9.281 1.00 15.00 C ATOM 1197 C GLY A 82 11.569 2.463 -10.225 1.00 15.00 C ATOM 1198 O GLY A 82 11.641 3.654 -9.920 1.00 15.00 O ATOM 0 H GLY A 82 10.913 1.757 -7.572 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.984 1.730 -8.803 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.320 0.498 -9.858 1.00 15.00 H new ATOM 1202 N GLN A 83 11.086 2.038 -11.383 1.00 15.00 N ATOM 1203 CA GLN A 83 10.593 2.964 -12.401 1.00 15.00 C ATOM 1204 C GLN A 83 9.371 3.743 -11.912 1.00 15.00 C ATOM 1205 O GLN A 83 9.504 4.841 -11.373 1.00 15.00 O ATOM 1206 CB GLN A 83 10.265 2.218 -13.703 1.00 15.00 C ATOM 1207 CG GLN A 83 9.754 0.799 -13.497 1.00 15.00 C ATOM 1208 CD GLN A 83 8.661 0.424 -14.478 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.666 1.135 -14.619 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.840 -0.700 -15.163 1.00 15.00 N ATOM 0 H GLN A 83 11.023 1.054 -11.645 1.00 15.00 H new ATOM 0 HA GLN A 83 11.388 3.682 -12.599 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.516 2.786 -14.255 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.160 2.183 -14.324 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.584 0.100 -13.599 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.375 0.698 -12.480 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.680 -1.259 -15.015 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.137 -1.004 -15.837 1.00 15.00 H new ATOM 1219 N VAL A 84 8.184 3.177 -12.111 1.00 15.00 N ATOM 1220 CA VAL A 84 6.947 3.823 -11.695 1.00 15.00 C ATOM 1221 C VAL A 84 6.315 3.084 -10.519 1.00 15.00 C ATOM 1222 O VAL A 84 6.578 1.902 -10.296 1.00 15.00 O ATOM 1223 CB VAL A 84 5.940 3.900 -12.864 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.589 4.421 -12.395 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.493 4.778 -13.975 1.00 15.00 C ATOM 0 H VAL A 84 8.055 2.270 -12.559 1.00 15.00 H new ATOM 0 HA VAL A 84 7.197 4.837 -11.381 1.00 15.00 H new ATOM 0 HB VAL A 84 5.792 2.892 -13.251 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.902 4.464 -13.240 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.186 3.753 -11.633 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.710 5.420 -11.975 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.775 4.825 -14.793 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.671 5.782 -13.591 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.430 4.357 -14.339 1.00 15.00 H new ATOM 1235 N VAL A 85 5.470 3.785 -9.776 1.00 15.00 N ATOM 1236 CA VAL A 85 4.797 3.196 -8.632 1.00 15.00 C ATOM 1237 C VAL A 85 3.391 2.749 -9.019 1.00 15.00 C ATOM 1238 O VAL A 85 2.411 3.452 -8.777 1.00 15.00 O ATOM 1239 CB VAL A 85 4.737 4.196 -7.450 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.605 3.868 -6.484 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.068 4.230 -6.717 1.00 15.00 C ATOM 0 H VAL A 85 5.236 4.763 -9.947 1.00 15.00 H new ATOM 0 HA VAL A 85 5.368 2.325 -8.312 1.00 15.00 H new ATOM 0 HB VAL A 85 4.535 5.183 -7.866 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.599 4.594 -5.671 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.653 3.908 -7.013 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.752 2.868 -6.077 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.010 4.937 -5.890 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.296 3.237 -6.330 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.854 4.541 -7.405 1.00 15.00 H new ATOM 1251 N HIS A 86 3.306 1.569 -9.623 1.00 15.00 N ATOM 1252 CA HIS A 86 2.024 1.012 -10.041 1.00 15.00 C ATOM 1253 C HIS A 86 1.557 -0.032 -9.035 1.00 15.00 C ATOM 1254 O HIS A 86 1.773 -1.230 -9.218 1.00 15.00 O ATOM 1255 CB HIS A 86 2.139 0.388 -11.432 1.00 15.00 C ATOM 1256 CG HIS A 86 0.819 0.180 -12.106 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.357 0.737 -11.648 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.491 -0.528 -13.213 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.350 0.379 -12.442 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.862 -0.388 -13.400 1.00 15.00 N ATOM 0 H HIS A 86 4.111 0.979 -9.835 1.00 15.00 H new ATOM 0 HA HIS A 86 1.291 1.818 -10.083 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.760 1.028 -12.058 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.651 -0.571 -11.350 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.168 -1.097 -13.833 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.385 0.665 -12.327 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.403 -0.808 -14.156 1.00 15.00 H new ATOM 1269 N LEU A 87 0.938 0.438 -7.961 1.00 15.00 N ATOM 1270 CA LEU A 87 0.461 -0.440 -6.903 1.00 15.00 C ATOM 1271 C LEU A 87 -1.051 -0.638 -6.961 1.00 15.00 C ATOM 1272 O LEU A 87 -1.816 0.301 -6.760 1.00 15.00 O ATOM 1273 CB LEU A 87 0.853 0.141 -5.544 1.00 15.00 C ATOM 1274 CG LEU A 87 1.804 -0.726 -4.726 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.956 0.105 -4.182 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.054 -1.409 -3.594 1.00 15.00 C ATOM 0 H LEU A 87 0.754 1.428 -7.800 1.00 15.00 H new ATOM 0 HA LEU A 87 0.926 -1.416 -7.044 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.317 1.115 -5.701 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.053 0.310 -4.962 1.00 15.00 H new ATOM 0 HG LEU A 87 2.219 -1.494 -5.379 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.622 -0.533 -3.602 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.508 0.548 -5.011 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.564 0.896 -3.543 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.746 -2.025 -3.019 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.612 -0.655 -2.943 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.266 -2.038 -4.007 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.474 -1.874 -7.208 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.895 -2.198 -7.258 1.00 15.00 C ATOM 1290 C LEU A 88 -3.361 -2.650 -5.880 1.00 15.00 C ATOM 1291 O LEU A 88 -3.092 -3.775 -5.460 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.157 -3.293 -8.295 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.293 -2.802 -9.740 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.267 -1.718 -10.040 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.143 -3.963 -10.711 1.00 15.00 C ATOM 0 H LEU A 88 -0.854 -2.666 -7.376 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.454 -1.310 -7.552 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.344 -4.017 -8.249 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.070 -3.821 -8.020 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.287 -2.373 -9.864 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.382 -1.384 -11.071 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.421 -0.875 -9.366 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.263 -2.118 -9.898 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.242 -3.598 -11.733 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.162 -4.420 -10.583 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.917 -4.704 -10.514 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.032 -1.754 -5.168 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.503 -2.046 -3.819 1.00 15.00 C ATOM 1309 C LEU A 89 -6.008 -2.278 -3.775 1.00 15.00 C ATOM 1310 O LEU A 89 -6.650 -2.529 -4.795 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.147 -0.897 -2.872 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.140 0.106 -3.419 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.071 1.331 -2.529 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.780 -0.545 -3.544 1.00 15.00 C ATOM 0 H LEU A 89 -4.263 -0.818 -5.502 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.007 -2.963 -3.500 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.062 -0.364 -2.613 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.751 -1.318 -1.948 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.464 0.428 -4.409 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.346 2.036 -2.936 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.052 1.804 -2.484 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.765 1.035 -1.526 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.065 0.178 -3.936 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.449 -0.888 -2.564 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.845 -1.395 -4.223 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.555 -2.171 -2.569 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.982 -2.342 -2.339 1.00 15.00 C ATOM 1328 C GLU A 90 -8.445 -1.377 -1.251 1.00 15.00 C ATOM 1329 O GLU A 90 -7.784 -1.224 -0.223 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.287 -3.795 -1.949 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.400 -3.952 -0.921 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.709 -5.404 -0.614 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.305 -6.278 -1.409 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.354 -5.666 0.423 1.00 15.00 O ATOM 0 H GLU A 90 -6.021 -1.963 -1.725 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.525 -2.119 -3.257 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.558 -4.350 -2.847 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.379 -4.251 -1.555 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.114 -3.443 -0.001 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.302 -3.462 -1.289 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.577 -0.721 -1.482 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.115 0.235 -0.520 1.00 15.00 C ATOM 1343 C LYS A 91 -10.128 -0.352 0.889 1.00 15.00 C ATOM 1344 O LYS A 91 -10.977 -1.178 1.224 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.524 0.660 -0.929 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.923 2.026 -0.393 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.332 3.149 -1.232 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.587 4.158 -0.372 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.373 5.408 -0.175 1.00 15.00 N ATOM 0 H LYS A 91 -10.139 -0.833 -2.326 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.468 1.112 -0.515 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.590 0.671 -2.017 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.237 -0.084 -0.574 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.010 2.111 -0.383 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.586 2.126 0.639 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.652 2.730 -1.974 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.129 3.654 -1.778 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.363 3.713 0.598 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.633 4.399 -0.840 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -10.831 6.070 0.416 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.565 5.846 -1.098 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.273 5.182 0.295 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.173 0.081 1.706 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.078 -0.409 3.069 1.00 15.00 C ATOM 1365 C GLY A 92 -10.291 -0.052 3.905 1.00 15.00 C ATOM 1366 O GLY A 92 -10.794 1.069 3.835 1.00 15.00 O ATOM 0 H GLY A 92 -8.461 0.764 1.447 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.958 -1.492 3.054 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.185 0.004 3.538 1.00 15.00 H new