USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 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 Set 1.1: A 62 ASN : amide:sc= -5.15! C(o=-5.8!,f=-3.6!) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.639 K(o=-5.8,f=-9.6!) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= -1.8 (180deg=-4.67!) USER MOD Single : A 21 SER OG : rot 170:sc=-0.00398 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.84 USER MOD Single : A 27 ASN : amide:sc= -3.28 K(o=-3.3,f=-7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 130:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00716 X(o=-0.0072,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.24) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 71 HIS : no HE2:sc= -7.11! C(o=-7.1!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.35 K(o=-2.4,f=-5.3!) USER MOD Single : A 77 THR OG1 : rot -20:sc= -2.75 USER MOD Single : A 80 ASN : amide:sc= -3.13 K(o=-3.1,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -89:sc= 0.907 USER MOD Single : A 86 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.3) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= -0.479 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.554 -2.151 -6.154 1.00 15.00 N ATOM 73 CA ILE A 6 -10.105 -2.093 -6.067 1.00 15.00 C ATOM 74 C ILE A 6 -9.567 -0.862 -6.794 1.00 15.00 C ATOM 75 O ILE A 6 -10.157 -0.402 -7.772 1.00 15.00 O ATOM 76 CB ILE A 6 -9.490 -3.372 -6.678 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.049 -4.331 -5.572 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.317 -3.044 -7.598 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.197 -4.866 -4.745 1.00 15.00 C ATOM 0 HA ILE A 6 -9.826 -2.023 -5.016 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.259 -3.857 -7.280 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.513 -5.168 -6.020 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.347 -3.818 -4.915 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.909 -3.967 -8.010 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.660 -2.404 -8.411 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.543 -2.527 -7.031 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.811 -5.540 -3.980 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.720 -4.037 -4.268 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.889 -5.408 -5.390 1.00 15.00 H new ATOM 91 N PHE A 7 -8.439 -0.344 -6.323 1.00 15.00 N ATOM 92 CA PHE A 7 -7.823 0.818 -6.948 1.00 15.00 C ATOM 93 C PHE A 7 -6.304 0.673 -6.976 1.00 15.00 C ATOM 94 O PHE A 7 -5.729 -0.072 -6.183 1.00 15.00 O ATOM 95 CB PHE A 7 -8.232 2.105 -6.221 1.00 15.00 C ATOM 96 CG PHE A 7 -7.476 2.359 -4.947 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.184 2.859 -4.980 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.059 2.102 -3.717 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.488 3.098 -3.812 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.368 2.339 -2.544 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.081 2.838 -2.593 1.00 15.00 C ATOM 0 H PHE A 7 -7.935 -0.709 -5.515 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.178 0.881 -7.977 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.085 2.951 -6.893 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.297 2.059 -5.995 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.716 3.064 -5.931 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.065 1.712 -3.674 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.482 3.488 -3.852 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.833 2.135 -1.591 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.539 3.025 -1.678 1.00 15.00 H new ATOM 111 N GLU A 8 -5.661 1.378 -7.899 1.00 15.00 N ATOM 112 CA GLU A 8 -4.210 1.316 -8.037 1.00 15.00 C ATOM 113 C GLU A 8 -3.579 2.699 -7.939 1.00 15.00 C ATOM 114 O GLU A 8 -4.121 3.686 -8.434 1.00 15.00 O ATOM 115 CB GLU A 8 -3.840 0.684 -9.375 1.00 15.00 C ATOM 116 CG GLU A 8 -4.540 1.328 -10.554 1.00 15.00 C ATOM 117 CD GLU A 8 -4.366 0.544 -11.840 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.500 -0.697 -11.801 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.096 1.171 -12.886 1.00 15.00 O ATOM 0 H GLU A 8 -6.121 2.000 -8.564 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.826 0.706 -7.220 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.762 0.756 -9.518 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.088 -0.377 -9.349 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.603 1.422 -10.332 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.153 2.337 -10.694 1.00 15.00 H new ATOM 126 N VAL A 9 -2.417 2.743 -7.308 1.00 15.00 N ATOM 127 CA VAL A 9 -1.664 3.980 -7.142 1.00 15.00 C ATOM 128 C VAL A 9 -0.528 4.029 -8.153 1.00 15.00 C ATOM 129 O VAL A 9 0.369 3.189 -8.130 1.00 15.00 O ATOM 130 CB VAL A 9 -1.105 4.128 -5.699 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.127 2.795 -4.965 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.307 4.705 -5.703 1.00 15.00 C ATOM 0 H VAL A 9 -1.968 1.925 -6.896 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.345 4.813 -7.315 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.755 4.826 -5.171 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.731 2.927 -3.958 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.152 2.429 -4.906 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.514 2.073 -5.504 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.666 4.795 -4.678 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.969 4.044 -6.263 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.297 5.689 -6.171 1.00 15.00 H new ATOM 142 N GLU A 10 -0.582 5.002 -9.049 1.00 15.00 N ATOM 143 CA GLU A 10 0.435 5.138 -10.078 1.00 15.00 C ATOM 144 C GLU A 10 1.376 6.307 -9.804 1.00 15.00 C ATOM 145 O GLU A 10 1.318 7.335 -10.479 1.00 15.00 O ATOM 146 CB GLU A 10 -0.233 5.301 -11.437 1.00 15.00 C ATOM 147 CG GLU A 10 0.745 5.503 -12.583 1.00 15.00 C ATOM 148 CD GLU A 10 0.109 5.273 -13.940 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.462 4.182 -14.151 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.180 6.184 -14.791 1.00 15.00 O ATOM 0 H GLU A 10 -1.318 5.707 -9.084 1.00 15.00 H new ATOM 0 HA GLU A 10 1.041 4.232 -10.073 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.840 4.419 -11.641 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.912 6.153 -11.397 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.145 6.516 -12.540 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.588 4.822 -12.461 1.00 15.00 H new ATOM 157 N LEU A 11 2.257 6.134 -8.826 1.00 15.00 N ATOM 158 CA LEU A 11 3.228 7.167 -8.484 1.00 15.00 C ATOM 159 C LEU A 11 4.484 6.997 -9.329 1.00 15.00 C ATOM 160 O LEU A 11 4.724 5.929 -9.883 1.00 15.00 O ATOM 161 CB LEU A 11 3.587 7.104 -6.998 1.00 15.00 C ATOM 162 CG LEU A 11 3.990 8.439 -6.365 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.812 9.401 -6.338 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.530 8.218 -4.960 1.00 15.00 C ATOM 0 H LEU A 11 2.319 5.290 -8.257 1.00 15.00 H new ATOM 0 HA LEU A 11 2.783 8.141 -8.690 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.733 6.705 -6.451 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.407 6.397 -6.869 1.00 15.00 H new ATOM 0 HG LEU A 11 4.778 8.883 -6.974 1.00 15.00 H new ATOM 0 HD11 LEU A 11 3.121 10.342 -5.884 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.469 9.584 -7.356 1.00 15.00 H new ATOM 0 HD13 LEU A 11 2.001 8.966 -5.754 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.812 9.176 -4.524 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.761 7.751 -4.344 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.404 7.568 -5.004 1.00 15.00 H new ATOM 176 N ALA A 12 5.276 8.053 -9.438 1.00 15.00 N ATOM 177 CA ALA A 12 6.500 7.999 -10.231 1.00 15.00 C ATOM 178 C ALA A 12 7.723 7.721 -9.363 1.00 15.00 C ATOM 179 O ALA A 12 8.314 8.641 -8.797 1.00 15.00 O ATOM 180 CB ALA A 12 6.685 9.291 -11.010 1.00 15.00 C ATOM 0 H ALA A 12 5.097 8.953 -8.992 1.00 15.00 H new ATOM 0 HA ALA A 12 6.400 7.172 -10.935 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.602 9.234 -11.596 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.836 9.438 -11.678 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.749 10.129 -10.315 1.00 15.00 H new ATOM 186 N LYS A 13 8.106 6.450 -9.267 1.00 15.00 N ATOM 187 CA LYS A 13 9.269 6.047 -8.474 1.00 15.00 C ATOM 188 C LYS A 13 10.586 6.588 -9.042 1.00 15.00 C ATOM 189 O LYS A 13 11.639 5.974 -8.871 1.00 15.00 O ATOM 190 CB LYS A 13 9.348 4.524 -8.388 1.00 15.00 C ATOM 191 CG LYS A 13 10.446 4.011 -7.463 1.00 15.00 C ATOM 192 CD LYS A 13 10.658 4.925 -6.262 1.00 15.00 C ATOM 193 CE LYS A 13 9.490 4.852 -5.291 1.00 15.00 C ATOM 194 NZ LYS A 13 8.738 6.136 -5.225 1.00 15.00 N ATOM 0 H LYS A 13 7.627 5.677 -9.730 1.00 15.00 H new ATOM 0 HA LYS A 13 9.134 6.475 -7.481 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.388 4.140 -8.044 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.512 4.122 -9.388 1.00 15.00 H new ATOM 0 HG2 LYS A 13 10.188 3.011 -7.115 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.378 3.924 -8.021 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.577 4.644 -5.748 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.785 5.952 -6.604 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.815 4.052 -5.595 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.860 4.597 -4.298 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 8.484 6.339 -4.237 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 9.332 6.905 -5.595 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.872 6.061 -5.796 1.00 15.00 H new ATOM 259 N LEU A 18 9.058 6.722 -1.755 1.00 15.00 N ATOM 260 CA LEU A 18 7.832 6.871 -0.993 1.00 15.00 C ATOM 261 C LEU A 18 8.120 7.469 0.380 1.00 15.00 C ATOM 262 O LEU A 18 9.232 7.925 0.647 1.00 15.00 O ATOM 263 CB LEU A 18 7.124 5.522 -0.847 1.00 15.00 C ATOM 264 CG LEU A 18 6.882 4.773 -2.158 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.118 3.483 -1.903 1.00 15.00 C ATOM 266 CD2 LEU A 18 6.128 5.655 -3.142 1.00 15.00 C ATOM 0 HA LEU A 18 7.175 7.552 -1.534 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.716 4.887 -0.188 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.164 5.684 -0.356 1.00 15.00 H new ATOM 0 HG LEU A 18 7.848 4.518 -2.593 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.955 2.964 -2.847 1.00 15.00 H new ATOM 0 HD12 LEU A 18 6.694 2.845 -1.233 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.156 3.714 -1.446 1.00 15.00 H new ATOM 0 HD21 LEU A 18 5.964 5.107 -4.070 1.00 15.00 H new ATOM 0 HD22 LEU A 18 5.167 5.939 -2.713 1.00 15.00 H new ATOM 0 HD23 LEU A 18 6.712 6.552 -3.349 1.00 15.00 H new ATOM 278 N GLY A 19 7.113 7.470 1.245 1.00 15.00 N ATOM 279 CA GLY A 19 7.280 8.021 2.576 1.00 15.00 C ATOM 280 C GLY A 19 6.099 7.730 3.470 1.00 15.00 C ATOM 281 O GLY A 19 5.608 8.613 4.165 1.00 15.00 O ATOM 0 H GLY A 19 6.183 7.099 1.048 1.00 15.00 H new ATOM 0 HA2 GLY A 19 8.183 7.610 3.026 1.00 15.00 H new ATOM 0 HA3 GLY A 19 7.422 9.099 2.505 1.00 15.00 H new ATOM 285 N ILE A 20 5.639 6.488 3.439 1.00 15.00 N ATOM 286 CA ILE A 20 4.505 6.066 4.247 1.00 15.00 C ATOM 287 C ILE A 20 4.933 5.076 5.325 1.00 15.00 C ATOM 288 O ILE A 20 5.722 4.167 5.069 1.00 15.00 O ATOM 289 CB ILE A 20 3.409 5.434 3.361 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.090 6.159 3.580 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.250 3.951 3.653 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.888 5.426 3.040 1.00 15.00 C ATOM 0 H ILE A 20 6.037 5.750 2.858 1.00 15.00 H new ATOM 0 HA ILE A 20 4.100 6.953 4.734 1.00 15.00 H new ATOM 0 HB ILE A 20 3.710 5.537 2.318 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.952 6.324 4.648 1.00 15.00 H new ATOM 0 HG13 ILE A 20 2.145 7.141 3.110 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.471 3.536 3.013 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.192 3.439 3.457 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.973 3.814 4.698 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.012 6.009 3.236 1.00 15.00 H new ATOM 0 HD12 ILE A 20 1.001 5.284 1.965 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.805 4.455 3.528 1.00 15.00 H new ATOM 304 N SER A 21 4.377 5.234 6.517 1.00 15.00 N ATOM 305 CA SER A 21 4.671 4.327 7.613 1.00 15.00 C ATOM 306 C SER A 21 3.662 3.187 7.578 1.00 15.00 C ATOM 307 O SER A 21 2.499 3.366 7.935 1.00 15.00 O ATOM 308 CB SER A 21 4.619 5.066 8.954 1.00 15.00 C ATOM 309 OG SER A 21 4.600 4.155 10.039 1.00 15.00 O ATOM 0 H SER A 21 3.721 5.980 6.748 1.00 15.00 H new ATOM 0 HA SER A 21 5.678 3.926 7.503 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.483 5.725 9.043 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.732 5.698 8.990 1.00 15.00 H new ATOM 0 HG SER A 21 4.729 4.644 10.879 1.00 15.00 H new ATOM 315 N VAL A 22 4.096 2.029 7.095 1.00 15.00 N ATOM 316 CA VAL A 22 3.203 0.883 6.962 1.00 15.00 C ATOM 317 C VAL A 22 3.255 -0.044 8.169 1.00 15.00 C ATOM 318 O VAL A 22 4.244 -0.086 8.901 1.00 15.00 O ATOM 319 CB VAL A 22 3.535 0.074 5.698 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.325 0.916 4.449 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.962 -0.443 5.760 1.00 15.00 C ATOM 0 H VAL A 22 5.054 1.858 6.790 1.00 15.00 H new ATOM 0 HA VAL A 22 2.195 1.292 6.890 1.00 15.00 H new ATOM 0 HB VAL A 22 2.859 -0.780 5.650 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.566 0.324 3.566 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.285 1.237 4.398 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.974 1.791 4.487 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.182 -1.014 4.858 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.651 0.398 5.834 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.079 -1.085 6.633 1.00 15.00 H new ATOM 331 N THR A 23 2.169 -0.788 8.362 1.00 15.00 N ATOM 332 CA THR A 23 2.060 -1.725 9.472 1.00 15.00 C ATOM 333 C THR A 23 1.177 -2.917 9.092 1.00 15.00 C ATOM 334 O THR A 23 0.708 -3.018 7.956 1.00 15.00 O ATOM 335 CB THR A 23 1.489 -1.013 10.700 1.00 15.00 C ATOM 336 OG1 THR A 23 1.521 0.392 10.525 1.00 15.00 O ATOM 337 CG2 THR A 23 2.235 -1.329 11.977 1.00 15.00 C ATOM 0 H THR A 23 1.347 -0.758 7.758 1.00 15.00 H new ATOM 0 HA THR A 23 3.056 -2.101 9.708 1.00 15.00 H new ATOM 0 HB THR A 23 0.466 -1.378 10.794 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.622 0.828 11.397 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.778 -0.792 12.808 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.189 -2.401 12.169 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.276 -1.023 11.876 1.00 15.00 H new ATOM 345 N GLY A 24 0.953 -3.815 10.050 1.00 15.00 N ATOM 346 CA GLY A 24 0.126 -4.985 9.797 1.00 15.00 C ATOM 347 C GLY A 24 0.781 -5.964 8.843 1.00 15.00 C ATOM 348 O GLY A 24 1.861 -6.480 9.121 1.00 15.00 O ATOM 0 H GLY A 24 1.329 -3.753 10.996 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.084 -5.488 10.741 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.832 -4.667 9.385 1.00 15.00 H new ATOM 352 N GLY A 25 0.129 -6.213 7.711 1.00 15.00 N ATOM 353 CA GLY A 25 0.675 -7.127 6.723 1.00 15.00 C ATOM 354 C GLY A 25 0.701 -8.572 7.185 1.00 15.00 C ATOM 355 O GLY A 25 0.006 -9.418 6.622 1.00 15.00 O ATOM 0 H GLY A 25 -0.768 -5.798 7.460 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.085 -7.057 5.809 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.689 -6.816 6.473 1.00 15.00 H new ATOM 359 N VAL A 26 1.519 -8.854 8.200 1.00 15.00 N ATOM 360 CA VAL A 26 1.663 -10.210 8.747 1.00 15.00 C ATOM 361 C VAL A 26 0.382 -11.029 8.615 1.00 15.00 C ATOM 362 O VAL A 26 -0.723 -10.498 8.728 1.00 15.00 O ATOM 363 CB VAL A 26 2.073 -10.174 10.231 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.572 -9.966 10.371 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.305 -9.089 10.966 1.00 15.00 C ATOM 0 H VAL A 26 2.099 -8.156 8.666 1.00 15.00 H new ATOM 0 HA VAL A 26 2.446 -10.688 8.158 1.00 15.00 H new ATOM 0 HB VAL A 26 1.824 -11.135 10.681 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.839 -9.944 11.428 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.100 -10.783 9.880 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.853 -9.021 9.906 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.606 -9.076 12.014 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.521 -8.121 10.515 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.236 -9.290 10.898 1.00 15.00 H new ATOM 375 N ASN A 27 0.543 -12.327 8.375 1.00 15.00 N ATOM 376 CA ASN A 27 -0.594 -13.228 8.225 1.00 15.00 C ATOM 377 C ASN A 27 -1.222 -13.544 9.580 1.00 15.00 C ATOM 378 O ASN A 27 -1.263 -14.699 10.004 1.00 15.00 O ATOM 379 CB ASN A 27 -0.150 -14.522 7.539 1.00 15.00 C ATOM 380 CG ASN A 27 -1.277 -15.528 7.401 1.00 15.00 C ATOM 381 OD1 ASN A 27 -2.405 -15.277 7.827 1.00 15.00 O ATOM 382 ND2 ASN A 27 -0.976 -16.674 6.803 1.00 15.00 N ATOM 0 H ASN A 27 1.453 -12.779 8.280 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.344 -12.733 7.608 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.245 -14.287 6.551 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.664 -14.970 8.109 1.00 15.00 H new ATOM 0 HD21 ASN A 27 -1.693 -17.389 6.681 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.028 -16.839 6.465 1.00 15.00 H new ATOM 389 N THR A 28 -1.709 -12.510 10.256 1.00 15.00 N ATOM 390 CA THR A 28 -2.334 -12.679 11.562 1.00 15.00 C ATOM 391 C THR A 28 -3.377 -11.595 11.814 1.00 15.00 C ATOM 392 O THR A 28 -4.572 -11.877 11.901 1.00 15.00 O ATOM 393 CB THR A 28 -1.275 -12.648 12.665 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.119 -13.365 12.270 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.756 -13.238 13.973 1.00 15.00 C ATOM 0 H THR A 28 -1.683 -11.547 9.922 1.00 15.00 H new ATOM 0 HA THR A 28 -2.834 -13.647 11.573 1.00 15.00 H new ATOM 0 HB THR A 28 -1.051 -11.593 12.821 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.547 -13.332 12.988 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.957 -13.185 14.712 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.619 -12.676 14.330 1.00 15.00 H new ATOM 0 HG23 THR A 28 -2.040 -14.279 13.820 1.00 15.00 H new ATOM 403 N SER A 29 -2.917 -10.354 11.932 1.00 15.00 N ATOM 404 CA SER A 29 -3.809 -9.227 12.176 1.00 15.00 C ATOM 405 C SER A 29 -4.691 -8.953 10.963 1.00 15.00 C ATOM 406 O SER A 29 -5.887 -8.695 11.099 1.00 15.00 O ATOM 407 CB SER A 29 -2.999 -7.976 12.524 1.00 15.00 C ATOM 408 OG SER A 29 -2.787 -7.878 13.921 1.00 15.00 O ATOM 0 H SER A 29 -1.931 -10.103 11.863 1.00 15.00 H new ATOM 0 HA SER A 29 -4.453 -9.483 13.018 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.039 -8.006 12.009 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.524 -7.089 12.170 1.00 15.00 H new ATOM 0 HG SER A 29 -2.266 -7.072 14.117 1.00 15.00 H new ATOM 414 N VAL A 30 -4.094 -9.009 9.777 1.00 15.00 N ATOM 415 CA VAL A 30 -4.828 -8.764 8.541 1.00 15.00 C ATOM 416 C VAL A 30 -5.711 -9.955 8.178 1.00 15.00 C ATOM 417 O VAL A 30 -5.841 -10.903 8.953 1.00 15.00 O ATOM 418 CB VAL A 30 -3.870 -8.464 7.370 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.942 -7.312 7.724 1.00 15.00 C ATOM 420 CG2 VAL A 30 -3.071 -9.703 6.993 1.00 15.00 C ATOM 0 H VAL A 30 -3.105 -9.222 9.646 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.459 -7.892 8.714 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.467 -8.172 6.506 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.273 -7.113 6.887 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.533 -6.421 7.936 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.355 -7.575 8.604 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.403 -9.467 6.165 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.484 -10.032 7.851 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.753 -10.498 6.693 1.00 15.00 H new ATOM 430 N ARG A 31 -6.315 -9.899 6.995 1.00 15.00 N ATOM 431 CA ARG A 31 -7.186 -10.972 6.529 1.00 15.00 C ATOM 432 C ARG A 31 -6.398 -12.262 6.320 1.00 15.00 C ATOM 433 O ARG A 31 -6.701 -13.290 6.925 1.00 15.00 O ATOM 434 CB ARG A 31 -7.879 -10.564 5.227 1.00 15.00 C ATOM 435 CG ARG A 31 -9.371 -10.855 5.215 1.00 15.00 C ATOM 436 CD ARG A 31 -9.648 -12.348 5.277 1.00 15.00 C ATOM 437 NE ARG A 31 -10.755 -12.663 6.178 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.036 -12.475 5.871 1.00 15.00 C ATOM 439 NH1 ARG A 31 -12.375 -11.975 4.689 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.980 -12.788 6.747 1.00 15.00 N ATOM 0 H ARG A 31 -6.217 -9.122 6.342 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.942 -11.152 7.293 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.724 -9.498 5.061 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.408 -11.088 4.395 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.846 -10.360 6.062 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.817 -10.438 4.312 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.879 -12.716 4.277 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.750 -12.870 5.609 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.533 -13.049 7.095 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.652 -11.733 4.011 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -13.358 -11.833 4.458 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.725 -13.173 7.656 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.962 -12.644 6.512 1.00 15.00 H new ATOM 454 N HIS A 32 -5.387 -12.200 5.459 1.00 15.00 N ATOM 455 CA HIS A 32 -4.558 -13.365 5.171 1.00 15.00 C ATOM 456 C HIS A 32 -3.081 -12.987 5.117 1.00 15.00 C ATOM 457 O HIS A 32 -2.255 -13.574 5.814 1.00 15.00 O ATOM 458 CB HIS A 32 -4.981 -14.001 3.846 1.00 15.00 C ATOM 459 CG HIS A 32 -6.327 -14.655 3.900 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.575 -15.811 4.610 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.505 -14.309 3.327 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.845 -16.148 4.471 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.431 -15.252 3.698 1.00 15.00 N ATOM 0 H HIS A 32 -5.122 -11.357 4.949 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.699 -14.086 5.976 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.989 -13.235 3.071 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.237 -14.742 3.554 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.682 -13.451 2.696 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.322 -17.009 4.914 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.413 -15.259 3.421 1.00 15.00 H new ATOM 472 N GLY A 33 -2.755 -12.007 4.283 1.00 15.00 N ATOM 473 CA GLY A 33 -1.375 -11.570 4.151 1.00 15.00 C ATOM 474 C GLY A 33 -1.243 -10.265 3.388 1.00 15.00 C ATOM 475 O GLY A 33 -0.177 -9.956 2.857 1.00 15.00 O ATOM 0 H GLY A 33 -3.421 -11.506 3.695 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.940 -11.451 5.143 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.801 -12.344 3.641 1.00 15.00 H new ATOM 479 N GLY A 34 -2.321 -9.487 3.347 1.00 15.00 N ATOM 480 CA GLY A 34 -2.283 -8.211 2.661 1.00 15.00 C ATOM 481 C GLY A 34 -1.758 -7.126 3.571 1.00 15.00 C ATOM 482 O GLY A 34 -1.888 -7.228 4.791 1.00 15.00 O ATOM 0 H GLY A 34 -3.217 -9.718 3.776 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.650 -8.288 1.777 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.283 -7.949 2.316 1.00 15.00 H new ATOM 486 N ILE A 35 -1.154 -6.089 3.004 1.00 15.00 N ATOM 487 CA ILE A 35 -0.615 -5.019 3.829 1.00 15.00 C ATOM 488 C ILE A 35 -1.638 -3.929 4.082 1.00 15.00 C ATOM 489 O ILE A 35 -2.556 -3.714 3.290 1.00 15.00 O ATOM 490 CB ILE A 35 0.660 -4.390 3.222 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.732 -4.245 4.311 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.357 -3.046 2.560 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.825 -2.862 4.925 1.00 15.00 C ATOM 0 H ILE A 35 -1.027 -5.968 1.999 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.351 -5.486 4.778 1.00 15.00 H new ATOM 0 HB ILE A 35 1.038 -5.051 2.442 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.527 -4.966 5.102 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.701 -4.505 3.885 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.275 -2.631 2.143 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.372 -3.189 1.762 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.048 -2.358 3.302 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.608 -2.853 5.684 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.063 -2.135 4.149 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.871 -2.603 5.385 1.00 15.00 H new ATOM 505 N TYR A 36 -1.449 -3.233 5.187 1.00 15.00 N ATOM 506 CA TYR A 36 -2.325 -2.142 5.560 1.00 15.00 C ATOM 507 C TYR A 36 -1.511 -0.991 6.118 1.00 15.00 C ATOM 508 O TYR A 36 -0.972 -1.073 7.221 1.00 15.00 O ATOM 509 CB TYR A 36 -3.359 -2.603 6.584 1.00 15.00 C ATOM 510 CG TYR A 36 -4.345 -3.599 6.028 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.963 -4.906 5.761 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.657 -3.230 5.767 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.861 -5.820 5.250 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.563 -4.138 5.257 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.161 -5.433 5.000 1.00 15.00 C ATOM 516 OH TYR A 36 -7.060 -6.341 4.491 1.00 15.00 O ATOM 0 H TYR A 36 -0.690 -3.407 5.846 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.855 -1.804 4.669 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.844 -3.048 7.435 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.902 -1.735 6.958 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.946 -5.213 5.956 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.974 -2.217 5.966 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.548 -6.833 5.047 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.581 -3.837 5.060 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.878 -6.328 5.030 1.00 15.00 H new ATOM 526 N VAL A 37 -1.409 0.074 5.340 1.00 15.00 N ATOM 527 CA VAL A 37 -0.635 1.238 5.759 1.00 15.00 C ATOM 528 C VAL A 37 -1.114 1.756 7.107 1.00 15.00 C ATOM 529 O VAL A 37 -2.262 1.552 7.497 1.00 15.00 O ATOM 530 CB VAL A 37 -0.645 2.395 4.710 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.970 1.898 3.316 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.587 3.532 5.081 1.00 15.00 C ATOM 0 H VAL A 37 -1.847 0.160 4.423 1.00 15.00 H new ATOM 0 HA VAL A 37 0.396 0.895 5.847 1.00 15.00 H new ATOM 0 HB VAL A 37 0.371 2.791 4.716 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.966 2.737 2.620 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.223 1.167 3.007 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.955 1.432 3.316 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.547 4.303 4.312 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.605 3.150 5.160 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.284 3.958 6.038 1.00 15.00 H new ATOM 542 N LYS A 38 -0.230 2.451 7.800 1.00 15.00 N ATOM 543 CA LYS A 38 -0.566 3.030 9.088 1.00 15.00 C ATOM 544 C LYS A 38 -1.086 4.438 8.858 1.00 15.00 C ATOM 545 O LYS A 38 -2.126 4.825 9.388 1.00 15.00 O ATOM 546 CB LYS A 38 0.651 3.007 10.031 1.00 15.00 C ATOM 547 CG LYS A 38 1.259 4.369 10.356 1.00 15.00 C ATOM 548 CD LYS A 38 1.718 4.433 11.803 1.00 15.00 C ATOM 549 CE LYS A 38 0.840 5.362 12.625 1.00 15.00 C ATOM 550 NZ LYS A 38 1.000 5.129 14.087 1.00 15.00 N ATOM 0 H LYS A 38 0.726 2.628 7.492 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.344 2.442 9.576 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.356 2.529 10.965 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.423 2.382 9.583 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.104 4.560 9.695 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.524 5.152 10.169 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.698 3.433 12.237 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.751 4.777 11.843 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.090 6.397 12.393 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.204 5.216 12.346 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.384 5.782 14.612 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.737 4.149 14.313 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.990 5.293 14.358 1.00 15.00 H new ATOM 564 N ALA A 39 -0.353 5.189 8.040 1.00 15.00 N ATOM 565 CA ALA A 39 -0.732 6.546 7.696 1.00 15.00 C ATOM 566 C ALA A 39 0.185 7.084 6.610 1.00 15.00 C ATOM 567 O ALA A 39 1.185 6.453 6.278 1.00 15.00 O ATOM 568 CB ALA A 39 -0.709 7.435 8.924 1.00 15.00 C ATOM 0 H ALA A 39 0.513 4.872 7.603 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.752 6.541 7.311 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.996 8.449 8.645 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.410 7.050 9.665 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.296 7.446 9.346 1.00 15.00 H new ATOM 574 N VAL A 40 -0.141 8.254 6.076 1.00 15.00 N ATOM 575 CA VAL A 40 0.683 8.867 5.038 1.00 15.00 C ATOM 576 C VAL A 40 1.628 9.873 5.679 1.00 15.00 C ATOM 577 O VAL A 40 1.204 10.915 6.178 1.00 15.00 O ATOM 578 CB VAL A 40 -0.162 9.563 3.943 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.172 8.735 2.663 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.582 9.812 4.424 1.00 15.00 C ATOM 0 H VAL A 40 -0.964 8.796 6.341 1.00 15.00 H new ATOM 0 HA VAL A 40 1.246 8.072 4.549 1.00 15.00 H new ATOM 0 HB VAL A 40 0.298 10.528 3.729 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.771 9.242 1.907 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.848 8.617 2.298 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.600 7.754 2.868 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.153 10.302 3.635 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.053 8.862 4.676 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.560 10.451 5.306 1.00 15.00 H new ATOM 590 N ILE A 41 2.906 9.515 5.715 1.00 15.00 N ATOM 591 CA ILE A 41 3.919 10.341 6.355 1.00 15.00 C ATOM 592 C ILE A 41 4.356 11.537 5.508 1.00 15.00 C ATOM 593 O ILE A 41 4.895 11.376 4.411 1.00 15.00 O ATOM 594 CB ILE A 41 5.135 9.470 6.767 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.810 8.658 8.028 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.385 10.308 6.989 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.371 8.189 8.107 1.00 15.00 C ATOM 0 H ILE A 41 3.265 8.653 5.306 1.00 15.00 H new ATOM 0 HA ILE A 41 3.461 10.766 7.248 1.00 15.00 H new ATOM 0 HB ILE A 41 5.339 8.786 5.943 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.467 7.789 8.067 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.032 9.265 8.906 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.212 9.659 7.276 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.639 10.834 6.069 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.201 11.033 7.782 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.223 7.623 9.027 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.706 9.053 8.101 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.148 7.554 7.250 1.00 15.00 H new ATOM 609 N PRO A 42 4.127 12.764 6.039 1.00 15.00 N ATOM 610 CA PRO A 42 4.485 14.022 5.366 1.00 15.00 C ATOM 611 C PRO A 42 5.990 14.187 5.177 1.00 15.00 C ATOM 612 O PRO A 42 6.591 15.125 5.702 1.00 15.00 O ATOM 613 CB PRO A 42 3.947 15.106 6.307 1.00 15.00 C ATOM 614 CG PRO A 42 3.853 14.446 7.635 1.00 15.00 C ATOM 615 CD PRO A 42 3.501 13.016 7.354 1.00 15.00 C ATOM 0 HA PRO A 42 4.069 14.064 4.360 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.614 15.967 6.340 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.974 15.469 5.976 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.797 14.518 8.175 1.00 15.00 H new ATOM 0 HG3 PRO A 42 3.093 14.921 8.256 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.892 12.347 8.121 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.422 12.866 7.321 1.00 15.00 H new ATOM 623 N GLN A 43 6.596 13.277 4.424 1.00 15.00 N ATOM 624 CA GLN A 43 8.028 13.337 4.171 1.00 15.00 C ATOM 625 C GLN A 43 8.377 12.753 2.805 1.00 15.00 C ATOM 626 O GLN A 43 9.151 13.342 2.050 1.00 15.00 O ATOM 627 CB GLN A 43 8.791 12.591 5.267 1.00 15.00 C ATOM 628 CG GLN A 43 9.273 13.490 6.393 1.00 15.00 C ATOM 629 CD GLN A 43 10.494 14.302 6.009 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.430 15.526 5.895 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.617 13.622 5.806 1.00 15.00 N ATOM 0 H GLN A 43 6.119 12.492 3.980 1.00 15.00 H new ATOM 0 HA GLN A 43 8.323 14.386 4.177 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.147 11.816 5.683 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.650 12.088 4.822 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.468 14.166 6.683 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.507 12.880 7.265 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.625 12.608 5.912 1.00 15.00 H new ATOM 0 HE22 GLN A 43 12.471 14.114 5.545 1.00 15.00 H new ATOM 640 N GLY A 44 7.816 11.588 2.495 1.00 15.00 N ATOM 641 CA GLY A 44 8.103 10.948 1.222 1.00 15.00 C ATOM 642 C GLY A 44 7.187 11.385 0.097 1.00 15.00 C ATOM 643 O GLY A 44 6.157 12.020 0.321 1.00 15.00 O ATOM 0 H GLY A 44 7.171 11.077 3.098 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.134 11.163 0.942 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.024 9.868 1.343 1.00 15.00 H new ATOM 647 N ALA A 45 7.574 11.022 -1.119 1.00 15.00 N ATOM 648 CA ALA A 45 6.812 11.359 -2.319 1.00 15.00 C ATOM 649 C ALA A 45 5.395 10.792 -2.282 1.00 15.00 C ATOM 650 O ALA A 45 4.547 11.180 -3.086 1.00 15.00 O ATOM 651 CB ALA A 45 7.540 10.861 -3.557 1.00 15.00 C ATOM 0 H ALA A 45 8.423 10.487 -1.303 1.00 15.00 H new ATOM 0 HA ALA A 45 6.727 12.445 -2.355 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.964 11.117 -4.446 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.523 11.329 -3.614 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.657 9.779 -3.500 1.00 15.00 H new ATOM 657 N ALA A 46 5.137 9.875 -1.357 1.00 15.00 N ATOM 658 CA ALA A 46 3.819 9.270 -1.241 1.00 15.00 C ATOM 659 C ALA A 46 2.817 10.263 -0.667 1.00 15.00 C ATOM 660 O ALA A 46 1.782 10.543 -1.283 1.00 15.00 O ATOM 661 CB ALA A 46 3.884 8.022 -0.373 1.00 15.00 C ATOM 0 H ALA A 46 5.821 9.536 -0.680 1.00 15.00 H new ATOM 0 HA ALA A 46 3.485 8.985 -2.239 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.890 7.581 -0.296 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.567 7.301 -0.822 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.241 8.289 0.622 1.00 15.00 H new ATOM 667 N GLU A 47 3.137 10.801 0.511 1.00 15.00 N ATOM 668 CA GLU A 47 2.276 11.782 1.168 1.00 15.00 C ATOM 669 C GLU A 47 2.053 12.989 0.260 1.00 15.00 C ATOM 670 O GLU A 47 0.942 13.510 0.159 1.00 15.00 O ATOM 671 CB GLU A 47 2.891 12.247 2.497 1.00 15.00 C ATOM 672 CG GLU A 47 4.129 13.106 2.301 1.00 15.00 C ATOM 673 CD GLU A 47 3.797 14.569 2.072 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.679 14.989 2.438 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.655 15.295 1.527 1.00 15.00 O ATOM 0 H GLU A 47 3.986 10.573 1.028 1.00 15.00 H new ATOM 0 HA GLU A 47 1.318 11.303 1.372 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.147 12.812 3.059 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.150 11.375 3.098 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.771 13.016 3.177 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.697 12.729 1.450 1.00 15.00 H new ATOM 682 N SER A 48 3.131 13.435 -0.389 1.00 15.00 N ATOM 683 CA SER A 48 3.075 14.590 -1.279 1.00 15.00 C ATOM 684 C SER A 48 1.985 14.406 -2.319 1.00 15.00 C ATOM 685 O SER A 48 0.955 15.079 -2.277 1.00 15.00 O ATOM 686 CB SER A 48 4.425 14.800 -1.966 1.00 15.00 C ATOM 687 OG SER A 48 4.415 15.971 -2.765 1.00 15.00 O ATOM 0 H SER A 48 4.055 13.010 -0.312 1.00 15.00 H new ATOM 0 HA SER A 48 2.844 15.472 -0.682 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.211 14.876 -1.215 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.659 13.935 -2.586 1.00 15.00 H new ATOM 0 HG SER A 48 5.290 16.083 -3.192 1.00 15.00 H new ATOM 693 N ASP A 49 2.201 13.474 -3.237 1.00 15.00 N ATOM 694 CA ASP A 49 1.211 13.196 -4.263 1.00 15.00 C ATOM 695 C ASP A 49 -0.089 12.770 -3.597 1.00 15.00 C ATOM 696 O ASP A 49 -1.176 13.189 -3.993 1.00 15.00 O ATOM 697 CB ASP A 49 1.708 12.101 -5.209 1.00 15.00 C ATOM 698 CG ASP A 49 2.108 12.648 -6.565 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.205 12.988 -7.358 1.00 15.00 O ATOM 700 OD2 ASP A 49 3.325 12.737 -6.834 1.00 15.00 O ATOM 0 H ASP A 49 3.045 12.904 -3.291 1.00 15.00 H new ATOM 0 HA ASP A 49 1.041 14.097 -4.852 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.562 11.595 -4.758 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.926 11.353 -5.338 1.00 15.00 H new ATOM 705 N GLY A 50 0.044 11.937 -2.569 1.00 15.00 N ATOM 706 CA GLY A 50 -1.113 11.465 -1.840 1.00 15.00 C ATOM 707 C GLY A 50 -1.796 10.323 -2.557 1.00 15.00 C ATOM 708 O GLY A 50 -3.022 10.290 -2.658 1.00 15.00 O ATOM 0 H GLY A 50 0.937 11.581 -2.229 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.809 11.140 -0.845 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.819 12.285 -1.706 1.00 15.00 H new ATOM 712 N ARG A 51 -1.003 9.392 -3.073 1.00 15.00 N ATOM 713 CA ARG A 51 -1.555 8.255 -3.803 1.00 15.00 C ATOM 714 C ARG A 51 -2.071 7.188 -2.846 1.00 15.00 C ATOM 715 O ARG A 51 -3.137 6.611 -3.063 1.00 15.00 O ATOM 716 CB ARG A 51 -0.511 7.652 -4.746 1.00 15.00 C ATOM 717 CG ARG A 51 -0.240 8.500 -5.978 1.00 15.00 C ATOM 718 CD ARG A 51 -1.346 8.358 -7.011 1.00 15.00 C ATOM 719 NE ARG A 51 -1.916 9.650 -7.384 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.072 9.792 -8.028 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.783 8.725 -8.372 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.519 11.004 -8.329 1.00 15.00 N ATOM 0 H ARG A 51 0.014 9.400 -3.001 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.392 8.621 -4.397 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.422 7.512 -4.200 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.847 6.664 -5.062 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.146 9.546 -5.687 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.712 8.206 -6.421 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.951 7.866 -7.900 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.132 7.716 -6.614 1.00 15.00 H new ATOM 0 HE ARG A 51 -1.398 10.493 -7.136 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.444 7.791 -8.143 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.668 8.840 -8.865 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -2.977 11.827 -8.067 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.405 11.113 -8.823 1.00 15.00 H new ATOM 736 N ILE A 52 -1.316 6.933 -1.786 1.00 15.00 N ATOM 737 CA ILE A 52 -1.709 5.939 -0.799 1.00 15.00 C ATOM 738 C ILE A 52 -2.525 6.578 0.324 1.00 15.00 C ATOM 739 O ILE A 52 -2.496 7.794 0.514 1.00 15.00 O ATOM 740 CB ILE A 52 -0.480 5.223 -0.202 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.273 4.460 -1.294 1.00 15.00 C ATOM 742 CG2 ILE A 52 -0.902 4.269 0.903 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.309 3.090 -1.580 1.00 15.00 C ATOM 0 H ILE A 52 -0.431 7.400 -1.589 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.326 5.201 -1.312 1.00 15.00 H new ATOM 0 HB ILE A 52 0.183 5.977 0.223 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.264 5.049 -2.211 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.316 4.349 -0.997 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -0.021 3.773 1.312 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.404 4.827 1.693 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.584 3.521 0.498 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.272 2.604 -2.364 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -0.275 2.484 -0.675 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.343 3.195 -1.908 1.00 15.00 H new ATOM 755 N HIS A 53 -3.251 5.746 1.062 1.00 15.00 N ATOM 756 CA HIS A 53 -4.077 6.211 2.165 1.00 15.00 C ATOM 757 C HIS A 53 -4.045 5.232 3.320 1.00 15.00 C ATOM 758 O HIS A 53 -3.770 4.045 3.148 1.00 15.00 O ATOM 759 CB HIS A 53 -5.517 6.436 1.702 1.00 15.00 C ATOM 760 CG HIS A 53 -5.648 7.483 0.640 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.620 7.194 -0.709 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.810 8.824 0.732 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.757 8.313 -1.399 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.875 9.315 -0.548 1.00 15.00 N ATOM 0 H HIS A 53 -3.283 4.737 0.913 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.668 7.160 2.511 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.920 5.496 1.325 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.125 6.722 2.560 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.876 9.400 1.643 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.770 8.394 -2.476 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.995 10.296 -0.801 1.00 15.00 H new ATOM 773 N LYS A 54 -4.304 5.767 4.501 1.00 15.00 N ATOM 774 CA LYS A 54 -4.292 5.004 5.735 1.00 15.00 C ATOM 775 C LYS A 54 -4.858 3.589 5.568 1.00 15.00 C ATOM 776 O LYS A 54 -5.922 3.397 4.981 1.00 15.00 O ATOM 777 CB LYS A 54 -5.080 5.755 6.810 1.00 15.00 C ATOM 778 CG LYS A 54 -4.252 6.121 8.027 1.00 15.00 C ATOM 779 CD LYS A 54 -4.934 5.698 9.319 1.00 15.00 C ATOM 780 CE LYS A 54 -5.064 4.186 9.414 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.688 3.762 10.698 1.00 15.00 N ATOM 0 H LYS A 54 -4.531 6.753 4.630 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.250 4.894 6.035 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.494 6.665 6.376 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.923 5.141 7.126 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.274 5.644 7.959 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.082 7.198 8.041 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.364 6.069 10.171 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.923 6.153 9.375 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.664 3.820 8.581 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.078 3.730 9.322 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.759 2.725 10.724 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.103 4.089 11.493 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.639 4.176 10.775 1.00 15.00 H new ATOM 795 N GLY A 55 -4.135 2.606 6.109 1.00 15.00 N ATOM 796 CA GLY A 55 -4.570 1.219 6.035 1.00 15.00 C ATOM 797 C GLY A 55 -4.951 0.774 4.639 1.00 15.00 C ATOM 798 O GLY A 55 -5.841 -0.061 4.476 1.00 15.00 O ATOM 0 H GLY A 55 -3.252 2.748 6.599 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.771 0.577 6.406 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.425 1.080 6.697 1.00 15.00 H new ATOM 802 N ASP A 56 -4.276 1.307 3.627 1.00 15.00 N ATOM 803 CA ASP A 56 -4.567 0.920 2.255 1.00 15.00 C ATOM 804 C ASP A 56 -4.217 -0.548 2.037 1.00 15.00 C ATOM 805 O ASP A 56 -3.121 -0.990 2.390 1.00 15.00 O ATOM 806 CB ASP A 56 -3.789 1.799 1.275 1.00 15.00 C ATOM 807 CG ASP A 56 -4.665 2.839 0.604 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.894 2.819 0.829 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.121 3.674 -0.149 1.00 15.00 O ATOM 0 H ASP A 56 -3.534 1.999 3.729 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.633 1.059 2.074 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.979 2.299 1.805 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.330 1.169 0.513 1.00 15.00 H new ATOM 814 N ARG A 57 -5.151 -1.298 1.456 1.00 15.00 N ATOM 815 CA ARG A 57 -4.938 -2.717 1.190 1.00 15.00 C ATOM 816 C ARG A 57 -4.172 -2.907 -0.113 1.00 15.00 C ATOM 817 O ARG A 57 -4.763 -2.930 -1.193 1.00 15.00 O ATOM 818 CB ARG A 57 -6.277 -3.457 1.114 1.00 15.00 C ATOM 819 CG ARG A 57 -7.293 -3.001 2.148 1.00 15.00 C ATOM 820 CD ARG A 57 -8.459 -3.974 2.244 1.00 15.00 C ATOM 821 NE ARG A 57 -9.219 -3.803 3.479 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.039 -4.725 3.977 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.216 -5.877 3.342 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.684 -4.495 5.112 1.00 15.00 N ATOM 0 H ARG A 57 -6.062 -0.946 1.161 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.351 -3.131 2.010 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.700 -3.321 0.119 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.098 -4.525 1.241 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.810 -2.912 3.121 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.664 -2.011 1.884 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -9.120 -3.831 1.389 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.083 -4.996 2.189 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.115 -2.926 3.989 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.722 -6.059 2.468 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.846 -6.581 3.728 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.552 -3.611 5.604 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.313 -5.202 5.494 1.00 15.00 H new ATOM 838 N VAL A 58 -2.854 -3.038 -0.010 1.00 15.00 N ATOM 839 CA VAL A 58 -2.015 -3.219 -1.188 1.00 15.00 C ATOM 840 C VAL A 58 -1.891 -4.699 -1.552 1.00 15.00 C ATOM 841 O VAL A 58 -1.385 -5.507 -0.768 1.00 15.00 O ATOM 842 CB VAL A 58 -0.613 -2.589 -0.990 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.710 -1.320 -0.154 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.359 -3.572 -0.352 1.00 15.00 C ATOM 0 H VAL A 58 -2.345 -3.022 0.874 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.501 -2.701 -2.015 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.226 -2.332 -1.976 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.284 -0.892 -0.026 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.353 -0.599 -0.660 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.131 -1.559 0.823 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.331 -3.095 -0.229 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.021 -3.878 0.623 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.463 -4.448 -0.992 1.00 15.00 H new ATOM 854 N LEU A 59 -2.383 -5.047 -2.740 1.00 15.00 N ATOM 855 CA LEU A 59 -2.349 -6.429 -3.208 1.00 15.00 C ATOM 856 C LEU A 59 -1.315 -6.649 -4.316 1.00 15.00 C ATOM 857 O LEU A 59 -0.998 -7.790 -4.649 1.00 15.00 O ATOM 858 CB LEU A 59 -3.732 -6.852 -3.705 1.00 15.00 C ATOM 859 CG LEU A 59 -4.768 -7.097 -2.607 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.413 -8.341 -1.807 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.872 -5.885 -1.693 1.00 15.00 C ATOM 0 H LEU A 59 -2.809 -4.391 -3.394 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.054 -7.044 -2.358 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.111 -6.081 -4.376 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.627 -7.763 -4.294 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.738 -7.257 -3.078 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -5.161 -8.500 -1.030 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.389 -9.206 -2.470 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.434 -8.210 -1.346 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.614 -6.077 -0.918 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.904 -5.694 -1.230 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.173 -5.015 -2.276 1.00 15.00 H new ATOM 873 N ALA A 60 -0.808 -5.568 -4.908 1.00 15.00 N ATOM 874 CA ALA A 60 0.165 -5.696 -5.992 1.00 15.00 C ATOM 875 C ALA A 60 1.138 -4.520 -6.049 1.00 15.00 C ATOM 876 O ALA A 60 0.778 -3.379 -5.760 1.00 15.00 O ATOM 877 CB ALA A 60 -0.561 -5.836 -7.321 1.00 15.00 C ATOM 0 H ALA A 60 -1.050 -4.608 -4.661 1.00 15.00 H new ATOM 0 HA ALA A 60 0.756 -6.590 -5.794 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.168 -5.931 -8.126 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.194 -6.723 -7.298 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.178 -4.954 -7.493 1.00 15.00 H new ATOM 883 N VAL A 61 2.371 -4.820 -6.453 1.00 15.00 N ATOM 884 CA VAL A 61 3.419 -3.814 -6.591 1.00 15.00 C ATOM 885 C VAL A 61 4.220 -4.090 -7.852 1.00 15.00 C ATOM 886 O VAL A 61 5.071 -4.979 -7.876 1.00 15.00 O ATOM 887 CB VAL A 61 4.373 -3.799 -5.381 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.396 -2.682 -5.522 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.591 -3.658 -4.085 1.00 15.00 C ATOM 0 H VAL A 61 2.670 -5.765 -6.693 1.00 15.00 H new ATOM 0 HA VAL A 61 2.934 -2.839 -6.647 1.00 15.00 H new ATOM 0 HB VAL A 61 4.908 -4.748 -5.351 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.061 -2.687 -4.659 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.979 -2.835 -6.430 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.882 -1.723 -5.579 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.282 -3.649 -3.242 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.026 -2.726 -4.101 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.903 -4.497 -3.982 1.00 15.00 H new ATOM 899 N ASN A 62 3.917 -3.348 -8.910 1.00 15.00 N ATOM 900 CA ASN A 62 4.585 -3.543 -10.188 1.00 15.00 C ATOM 901 C ASN A 62 4.244 -4.923 -10.749 1.00 15.00 C ATOM 902 O ASN A 62 4.912 -5.421 -11.655 1.00 15.00 O ATOM 903 CB ASN A 62 6.101 -3.388 -10.036 1.00 15.00 C ATOM 904 CG ASN A 62 6.554 -1.951 -10.211 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.531 -1.676 -10.907 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.843 -1.025 -9.577 1.00 15.00 N ATOM 0 H ASN A 62 3.215 -2.608 -8.907 1.00 15.00 H new ATOM 0 HA ASN A 62 4.234 -2.781 -10.884 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.403 -3.744 -9.051 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.604 -4.017 -10.771 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.100 -0.041 -9.657 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.040 -1.298 -9.010 1.00 15.00 H new ATOM 913 N GLY A 63 3.187 -5.529 -10.202 1.00 15.00 N ATOM 914 CA GLY A 63 2.754 -6.838 -10.651 1.00 15.00 C ATOM 915 C GLY A 63 3.065 -7.947 -9.663 1.00 15.00 C ATOM 916 O GLY A 63 2.818 -9.119 -9.947 1.00 15.00 O ATOM 0 H GLY A 63 2.623 -5.130 -9.452 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.680 -6.814 -10.833 1.00 15.00 H new ATOM 0 HA3 GLY A 63 3.234 -7.065 -11.603 1.00 15.00 H new ATOM 920 N VAL A 64 3.598 -7.589 -8.497 1.00 15.00 N ATOM 921 CA VAL A 64 3.921 -8.582 -7.480 1.00 15.00 C ATOM 922 C VAL A 64 2.766 -8.741 -6.491 1.00 15.00 C ATOM 923 O VAL A 64 2.514 -7.867 -5.663 1.00 15.00 O ATOM 924 CB VAL A 64 5.224 -8.226 -6.726 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.994 -7.135 -5.692 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.818 -9.467 -6.077 1.00 15.00 C ATOM 0 H VAL A 64 3.813 -6.627 -8.236 1.00 15.00 H new ATOM 0 HA VAL A 64 4.079 -9.531 -7.993 1.00 15.00 H new ATOM 0 HB VAL A 64 5.935 -7.839 -7.456 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.932 -6.912 -5.183 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.627 -6.236 -6.187 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.258 -7.474 -4.963 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.734 -9.199 -5.551 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.102 -9.886 -5.370 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.044 -10.207 -6.845 1.00 15.00 H new ATOM 936 N SER A 65 2.057 -9.860 -6.592 1.00 15.00 N ATOM 937 CA SER A 65 0.924 -10.126 -5.714 1.00 15.00 C ATOM 938 C SER A 65 1.347 -10.093 -4.248 1.00 15.00 C ATOM 939 O SER A 65 2.331 -10.722 -3.860 1.00 15.00 O ATOM 940 CB SER A 65 0.301 -11.483 -6.047 1.00 15.00 C ATOM 941 OG SER A 65 -0.784 -11.339 -6.946 1.00 15.00 O ATOM 0 H SER A 65 2.247 -10.596 -7.272 1.00 15.00 H new ATOM 0 HA SER A 65 0.183 -9.343 -5.875 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.056 -12.136 -6.485 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.043 -11.963 -5.131 1.00 15.00 H new ATOM 0 HG SER A 65 -1.164 -12.220 -7.144 1.00 15.00 H new ATOM 947 N LEU A 66 0.595 -9.354 -3.440 1.00 15.00 N ATOM 948 CA LEU A 66 0.886 -9.235 -2.017 1.00 15.00 C ATOM 949 C LEU A 66 0.212 -10.356 -1.230 1.00 15.00 C ATOM 950 O LEU A 66 0.686 -10.749 -0.163 1.00 15.00 O ATOM 951 CB LEU A 66 0.423 -7.873 -1.492 1.00 15.00 C ATOM 952 CG LEU A 66 1.483 -7.081 -0.727 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.955 -7.859 0.492 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.656 -6.746 -1.636 1.00 15.00 C ATOM 0 H LEU A 66 -0.223 -8.827 -3.748 1.00 15.00 H new ATOM 0 HA LEU A 66 1.964 -9.319 -1.882 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.081 -7.273 -2.335 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.437 -8.025 -0.839 1.00 15.00 H new ATOM 0 HG LEU A 66 1.036 -6.148 -0.385 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.709 -7.279 1.024 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.109 -8.047 1.153 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.385 -8.809 0.173 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.401 -6.182 -1.075 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.103 -7.668 -2.008 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.305 -6.148 -2.477 1.00 15.00 H new ATOM 966 N GLU A 67 -0.895 -10.869 -1.763 1.00 15.00 N ATOM 967 CA GLU A 67 -1.632 -11.947 -1.110 1.00 15.00 C ATOM 968 C GLU A 67 -0.690 -13.061 -0.662 1.00 15.00 C ATOM 969 O GLU A 67 -0.226 -13.861 -1.475 1.00 15.00 O ATOM 970 CB GLU A 67 -2.694 -12.513 -2.056 1.00 15.00 C ATOM 971 CG GLU A 67 -3.847 -11.558 -2.319 1.00 15.00 C ATOM 972 CD GLU A 67 -4.940 -12.184 -3.164 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.616 -13.036 -4.017 1.00 15.00 O ATOM 974 OE2 GLU A 67 -6.120 -11.821 -2.971 1.00 15.00 O ATOM 0 H GLU A 67 -1.301 -10.555 -2.645 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.121 -11.534 -0.228 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.223 -12.771 -3.005 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -3.088 -13.438 -1.634 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.269 -11.233 -1.368 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.469 -10.667 -2.821 1.00 15.00 H new ATOM 981 N GLY A 68 -0.409 -13.103 0.636 1.00 15.00 N ATOM 982 CA GLY A 68 0.480 -14.117 1.170 1.00 15.00 C ATOM 983 C GLY A 68 1.817 -13.546 1.599 1.00 15.00 C ATOM 984 O GLY A 68 2.865 -13.958 1.100 1.00 15.00 O ATOM 0 H GLY A 68 -0.781 -12.452 1.328 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.004 -14.601 2.023 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.642 -14.888 0.416 1.00 15.00 H new ATOM 988 N ALA A 69 1.781 -12.594 2.525 1.00 15.00 N ATOM 989 CA ALA A 69 2.996 -11.962 3.022 1.00 15.00 C ATOM 990 C ALA A 69 2.691 -11.031 4.192 1.00 15.00 C ATOM 991 O ALA A 69 1.537 -10.684 4.439 1.00 15.00 O ATOM 992 CB ALA A 69 3.690 -11.200 1.902 1.00 15.00 C ATOM 0 H ALA A 69 0.921 -12.243 2.947 1.00 15.00 H new ATOM 0 HA ALA A 69 3.664 -12.745 3.381 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.596 -10.733 2.287 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.950 -11.890 1.099 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.021 -10.431 1.516 1.00 15.00 H new ATOM 998 N THR A 70 3.735 -10.634 4.910 1.00 15.00 N ATOM 999 CA THR A 70 3.584 -9.745 6.057 1.00 15.00 C ATOM 1000 C THR A 70 3.762 -8.287 5.647 1.00 15.00 C ATOM 1001 O THR A 70 3.870 -7.969 4.462 1.00 15.00 O ATOM 1002 CB THR A 70 4.602 -10.105 7.139 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.899 -9.669 6.773 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.679 -11.590 7.419 1.00 15.00 C ATOM 0 H THR A 70 4.697 -10.914 4.718 1.00 15.00 H new ATOM 0 HA THR A 70 2.576 -9.872 6.452 1.00 15.00 H new ATOM 0 HB THR A 70 4.255 -9.600 8.040 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.536 -9.907 7.479 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.420 -11.776 8.196 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.705 -11.948 7.753 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.967 -12.117 6.510 1.00 15.00 H new ATOM 1012 N HIS A 71 3.789 -7.407 6.640 1.00 15.00 N ATOM 1013 CA HIS A 71 3.951 -5.978 6.405 1.00 15.00 C ATOM 1014 C HIS A 71 5.303 -5.691 5.763 1.00 15.00 C ATOM 1015 O HIS A 71 5.379 -5.149 4.660 1.00 15.00 O ATOM 1016 CB HIS A 71 3.791 -5.220 7.734 1.00 15.00 C ATOM 1017 CG HIS A 71 4.814 -4.153 7.988 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.526 -4.064 9.166 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.234 -3.123 7.218 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.339 -3.025 9.109 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.182 -2.438 7.938 1.00 15.00 N ATOM 0 H HIS A 71 3.700 -7.661 7.624 1.00 15.00 H new ATOM 0 HA HIS A 71 3.181 -5.635 5.713 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.801 -4.765 7.757 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.830 -5.940 8.551 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.438 -4.701 9.958 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.888 -2.884 6.223 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.017 -2.710 9.888 1.00 15.00 H new ATOM 1030 N LYS A 72 6.365 -6.064 6.462 1.00 15.00 N ATOM 1031 CA LYS A 72 7.721 -5.857 5.967 1.00 15.00 C ATOM 1032 C LYS A 72 7.879 -6.432 4.564 1.00 15.00 C ATOM 1033 O LYS A 72 8.613 -5.889 3.740 1.00 15.00 O ATOM 1034 CB LYS A 72 8.727 -6.503 6.918 1.00 15.00 C ATOM 1035 CG LYS A 72 10.166 -6.094 6.653 1.00 15.00 C ATOM 1036 CD LYS A 72 11.146 -7.021 7.354 1.00 15.00 C ATOM 1037 CE LYS A 72 11.013 -8.452 6.860 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.331 -9.036 6.486 1.00 15.00 N ATOM 0 H LYS A 72 6.315 -6.513 7.377 1.00 15.00 H new ATOM 0 HA LYS A 72 7.912 -4.785 5.920 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.466 -6.239 7.943 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.646 -7.587 6.837 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.357 -6.105 5.580 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.323 -5.071 6.994 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.164 -6.670 7.185 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.972 -6.989 8.430 1.00 15.00 H new ATOM 0 HE2 LYS A 72 10.553 -9.063 7.637 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.347 -8.478 5.998 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.196 -10.012 6.154 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.759 -8.469 5.727 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.959 -9.035 7.315 1.00 15.00 H new ATOM 1052 N GLN A 73 7.177 -7.528 4.294 1.00 15.00 N ATOM 1053 CA GLN A 73 7.238 -8.157 2.982 1.00 15.00 C ATOM 1054 C GLN A 73 6.782 -7.170 1.919 1.00 15.00 C ATOM 1055 O GLN A 73 7.478 -6.939 0.930 1.00 15.00 O ATOM 1056 CB GLN A 73 6.368 -9.414 2.947 1.00 15.00 C ATOM 1057 CG GLN A 73 6.919 -10.549 3.792 1.00 15.00 C ATOM 1058 CD GLN A 73 6.574 -11.915 3.232 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.838 -12.685 3.849 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.108 -12.225 2.056 1.00 15.00 N ATOM 0 H GLN A 73 6.564 -7.995 4.962 1.00 15.00 H new ATOM 0 HA GLN A 73 8.268 -8.450 2.780 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.366 -9.164 3.296 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.271 -9.752 1.915 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.002 -10.452 3.861 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.526 -10.466 4.805 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.713 -11.557 1.579 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.913 -13.131 1.630 1.00 15.00 H new ATOM 1069 N ALA A 74 5.621 -6.565 2.147 1.00 15.00 N ATOM 1070 CA ALA A 74 5.093 -5.575 1.223 1.00 15.00 C ATOM 1071 C ALA A 74 5.981 -4.342 1.231 1.00 15.00 C ATOM 1072 O ALA A 74 6.322 -3.805 0.180 1.00 15.00 O ATOM 1073 CB ALA A 74 3.670 -5.202 1.582 1.00 15.00 C ATOM 0 H ALA A 74 5.032 -6.744 2.960 1.00 15.00 H new ATOM 0 HA ALA A 74 5.084 -6.005 0.221 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.299 -4.460 0.875 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.039 -6.090 1.540 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.646 -4.787 2.590 1.00 15.00 H new ATOM 1079 N VAL A 75 6.379 -3.917 2.432 1.00 15.00 N ATOM 1080 CA VAL A 75 7.264 -2.766 2.584 1.00 15.00 C ATOM 1081 C VAL A 75 8.370 -2.857 1.549 1.00 15.00 C ATOM 1082 O VAL A 75 8.731 -1.872 0.907 1.00 15.00 O ATOM 1083 CB VAL A 75 7.861 -2.720 4.013 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.365 -2.971 4.015 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.544 -1.402 4.691 1.00 15.00 C ATOM 0 H VAL A 75 6.101 -4.354 3.311 1.00 15.00 H new ATOM 0 HA VAL A 75 6.695 -1.849 2.432 1.00 15.00 H new ATOM 0 HB VAL A 75 7.393 -3.526 4.578 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.739 -2.929 5.038 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.570 -3.955 3.593 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.862 -2.208 3.415 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.974 -1.395 5.692 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.966 -0.583 4.109 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.463 -1.279 4.760 1.00 15.00 H new ATOM 1095 N GLU A 76 8.874 -4.070 1.379 1.00 15.00 N ATOM 1096 CA GLU A 76 9.912 -4.331 0.402 1.00 15.00 C ATOM 1097 C GLU A 76 9.361 -4.144 -1.008 1.00 15.00 C ATOM 1098 O GLU A 76 10.004 -3.533 -1.854 1.00 15.00 O ATOM 1099 CB GLU A 76 10.458 -5.751 0.567 1.00 15.00 C ATOM 1100 CG GLU A 76 10.791 -6.112 2.006 1.00 15.00 C ATOM 1101 CD GLU A 76 12.188 -6.684 2.155 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.135 -6.092 1.596 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.335 -7.724 2.831 1.00 15.00 O ATOM 0 H GLU A 76 8.577 -4.890 1.909 1.00 15.00 H new ATOM 0 HA GLU A 76 10.726 -3.625 0.563 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.724 -6.460 0.184 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.355 -5.860 -0.043 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.698 -5.224 2.631 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.064 -6.837 2.372 1.00 15.00 H new ATOM 1110 N THR A 77 8.160 -4.672 -1.257 1.00 15.00 N ATOM 1111 CA THR A 77 7.536 -4.552 -2.572 1.00 15.00 C ATOM 1112 C THR A 77 7.233 -3.095 -2.920 1.00 15.00 C ATOM 1113 O THR A 77 7.654 -2.603 -3.966 1.00 15.00 O ATOM 1114 CB THR A 77 6.259 -5.387 -2.647 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.298 -4.928 -1.715 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.490 -6.859 -2.386 1.00 15.00 C ATOM 0 H THR A 77 7.606 -5.183 -0.570 1.00 15.00 H new ATOM 0 HA THR A 77 8.248 -4.933 -3.304 1.00 15.00 H new ATOM 0 HB THR A 77 5.899 -5.268 -3.669 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.743 -4.401 -1.019 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.543 -7.394 -2.455 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.185 -7.255 -3.127 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.909 -6.990 -1.388 1.00 15.00 H new ATOM 1124 N LEU A 78 6.504 -2.406 -2.041 1.00 15.00 N ATOM 1125 CA LEU A 78 6.158 -1.004 -2.276 1.00 15.00 C ATOM 1126 C LEU A 78 7.415 -0.198 -2.559 1.00 15.00 C ATOM 1127 O LEU A 78 7.486 0.557 -3.528 1.00 15.00 O ATOM 1128 CB LEU A 78 5.436 -0.399 -1.066 1.00 15.00 C ATOM 1129 CG LEU A 78 4.441 -1.319 -0.357 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.778 -0.589 0.801 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.394 -1.832 -1.337 1.00 15.00 C ATOM 0 H LEU A 78 6.145 -2.792 -1.168 1.00 15.00 H new ATOM 0 HA LEU A 78 5.490 -0.966 -3.136 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.185 -0.079 -0.342 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.906 0.496 -1.393 1.00 15.00 H new ATOM 0 HG LEU A 78 4.985 -2.176 0.041 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.073 -1.257 1.296 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.539 -0.272 1.514 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.247 0.285 0.424 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.695 -2.485 -0.814 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.852 -0.989 -1.765 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.885 -2.390 -2.134 1.00 15.00 H new ATOM 1143 N ARG A 79 8.406 -0.378 -1.701 1.00 15.00 N ATOM 1144 CA ARG A 79 9.676 0.313 -1.834 1.00 15.00 C ATOM 1145 C ARG A 79 10.437 -0.186 -3.061 1.00 15.00 C ATOM 1146 O ARG A 79 10.757 0.589 -3.962 1.00 15.00 O ATOM 1147 CB ARG A 79 10.502 0.101 -0.565 1.00 15.00 C ATOM 1148 CG ARG A 79 11.332 1.312 -0.167 1.00 15.00 C ATOM 1149 CD ARG A 79 11.448 1.436 1.344 1.00 15.00 C ATOM 1150 NE ARG A 79 10.704 2.585 1.857 1.00 15.00 N ATOM 1151 CZ ARG A 79 11.161 3.834 1.834 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.357 4.101 1.322 1.00 15.00 N ATOM 1153 NH2 ARG A 79 10.421 4.820 2.322 1.00 15.00 N ATOM 0 H ARG A 79 8.353 -1.004 -0.897 1.00 15.00 H new ATOM 0 HA ARG A 79 9.491 1.379 -1.968 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.832 -0.155 0.256 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.166 -0.751 -0.712 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.327 1.232 -0.604 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.877 2.215 -0.573 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.076 0.525 1.812 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.498 1.531 1.621 1.00 15.00 H new ATOM 0 HE ARG A 79 9.780 2.419 2.256 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.930 3.347 0.944 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.703 5.061 1.307 1.00 15.00 H new ATOM 0 HH21 ARG A 79 9.501 4.621 2.715 1.00 15.00 H new ATOM 0 HH22 ARG A 79 10.772 5.778 2.304 1.00 15.00 H new ATOM 1167 N ASN A 80 10.723 -1.485 -3.084 1.00 15.00 N ATOM 1168 CA ASN A 80 11.446 -2.103 -4.195 1.00 15.00 C ATOM 1169 C ASN A 80 10.637 -2.068 -5.492 1.00 15.00 C ATOM 1170 O ASN A 80 10.296 -3.113 -6.045 1.00 15.00 O ATOM 1171 CB ASN A 80 11.802 -3.553 -3.855 1.00 15.00 C ATOM 1172 CG ASN A 80 12.610 -3.666 -2.577 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.448 -2.813 -2.281 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.363 -4.722 -1.811 1.00 15.00 N ATOM 0 H ASN A 80 10.464 -2.135 -2.342 1.00 15.00 H new ATOM 0 HA ASN A 80 12.357 -1.525 -4.349 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.886 -4.135 -3.755 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.368 -3.988 -4.679 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.876 -4.851 -0.939 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.660 -5.404 -2.095 1.00 15.00 H new ATOM 1181 N THR A 81 10.344 -0.870 -5.984 1.00 15.00 N ATOM 1182 CA THR A 81 9.591 -0.729 -7.226 1.00 15.00 C ATOM 1183 C THR A 81 10.547 -0.548 -8.403 1.00 15.00 C ATOM 1184 O THR A 81 10.750 -1.469 -9.194 1.00 15.00 O ATOM 1185 CB THR A 81 8.611 0.444 -7.137 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.815 1.183 -5.945 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.159 0.008 -7.161 1.00 15.00 C ATOM 0 H THR A 81 10.613 0.011 -5.547 1.00 15.00 H new ATOM 0 HA THR A 81 9.012 -1.638 -7.386 1.00 15.00 H new ATOM 0 HB THR A 81 8.810 1.055 -8.017 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.263 0.807 -5.228 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.515 0.885 -7.095 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.954 -0.524 -8.090 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.963 -0.651 -6.315 1.00 15.00 H new ATOM 1195 N GLY A 82 11.148 0.635 -8.504 1.00 15.00 N ATOM 1196 CA GLY A 82 12.089 0.898 -9.575 1.00 15.00 C ATOM 1197 C GLY A 82 11.700 2.082 -10.436 1.00 15.00 C ATOM 1198 O GLY A 82 11.846 3.234 -10.029 1.00 15.00 O ATOM 0 H GLY A 82 10.999 1.414 -7.863 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.075 1.077 -9.147 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.171 0.011 -10.204 1.00 15.00 H new ATOM 1202 N GLN A 83 11.217 1.792 -11.634 1.00 15.00 N ATOM 1203 CA GLN A 83 10.814 2.841 -12.574 1.00 15.00 C ATOM 1204 C GLN A 83 9.626 3.635 -12.038 1.00 15.00 C ATOM 1205 O GLN A 83 9.796 4.704 -11.453 1.00 15.00 O ATOM 1206 CB GLN A 83 10.482 2.271 -13.970 1.00 15.00 C ATOM 1207 CG GLN A 83 10.503 0.751 -14.072 1.00 15.00 C ATOM 1208 CD GLN A 83 9.350 0.096 -13.337 1.00 15.00 C ATOM 1209 OE1 GLN A 83 9.375 -0.039 -12.113 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.331 -0.316 -14.082 1.00 15.00 N ATOM 0 H GLN A 83 11.092 0.842 -11.983 1.00 15.00 H new ATOM 0 HA GLN A 83 11.667 3.512 -12.679 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.494 2.625 -14.264 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.193 2.677 -14.689 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.469 0.462 -15.122 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.444 0.377 -13.668 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.352 -0.184 -15.093 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.527 -0.765 -13.643 1.00 15.00 H new ATOM 1219 N VAL A 84 8.424 3.109 -12.249 1.00 15.00 N ATOM 1220 CA VAL A 84 7.206 3.767 -11.794 1.00 15.00 C ATOM 1221 C VAL A 84 6.570 2.996 -10.641 1.00 15.00 C ATOM 1222 O VAL A 84 6.841 1.810 -10.446 1.00 15.00 O ATOM 1223 CB VAL A 84 6.191 3.907 -12.951 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.865 4.469 -12.459 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.766 4.786 -14.050 1.00 15.00 C ATOM 0 H VAL A 84 8.268 2.225 -12.734 1.00 15.00 H new ATOM 0 HA VAL A 84 7.479 4.762 -11.443 1.00 15.00 H new ATOM 0 HB VAL A 84 6.001 2.913 -13.356 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.173 4.555 -13.297 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.443 3.802 -11.707 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.028 5.453 -12.020 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.042 4.877 -14.859 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.986 5.775 -13.647 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.683 4.337 -14.432 1.00 15.00 H new ATOM 1235 N VAL A 85 5.718 3.672 -9.883 1.00 15.00 N ATOM 1236 CA VAL A 85 5.043 3.052 -8.757 1.00 15.00 C ATOM 1237 C VAL A 85 3.642 2.603 -9.165 1.00 15.00 C ATOM 1238 O VAL A 85 2.655 3.293 -8.915 1.00 15.00 O ATOM 1239 CB VAL A 85 4.970 4.026 -7.555 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.830 3.676 -6.606 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.294 4.045 -6.808 1.00 15.00 C ATOM 0 H VAL A 85 5.479 4.653 -10.030 1.00 15.00 H new ATOM 0 HA VAL A 85 5.617 2.177 -8.451 1.00 15.00 H new ATOM 0 HB VAL A 85 4.770 5.021 -7.952 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.816 4.384 -5.778 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.882 3.725 -7.142 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.976 2.668 -6.219 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.227 4.734 -5.966 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.519 3.044 -6.440 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.087 4.371 -7.481 1.00 15.00 H new ATOM 1251 N HIS A 86 3.572 1.439 -9.802 1.00 15.00 N ATOM 1252 CA HIS A 86 2.301 0.883 -10.251 1.00 15.00 C ATOM 1253 C HIS A 86 1.769 -0.118 -9.231 1.00 15.00 C ATOM 1254 O HIS A 86 1.924 -1.328 -9.394 1.00 15.00 O ATOM 1255 CB HIS A 86 2.468 0.205 -11.612 1.00 15.00 C ATOM 1256 CG HIS A 86 1.254 0.302 -12.483 1.00 15.00 C ATOM 1257 ND1 HIS A 86 0.040 0.776 -12.033 1.00 15.00 N ATOM 1258 CD2 HIS A 86 1.070 -0.018 -13.786 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -0.838 0.743 -13.020 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.237 0.266 -14.095 1.00 15.00 N ATOM 0 H HIS A 86 4.384 0.861 -10.019 1.00 15.00 H new ATOM 0 HA HIS A 86 1.584 1.698 -10.350 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.314 0.655 -12.131 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.711 -0.846 -11.457 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.813 -0.422 -14.457 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -1.871 1.053 -12.958 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.673 0.131 -15.007 1.00 15.00 H new ATOM 1269 N LEU A 87 1.154 0.398 -8.173 1.00 15.00 N ATOM 1270 CA LEU A 87 0.613 -0.446 -7.116 1.00 15.00 C ATOM 1271 C LEU A 87 -0.899 -0.595 -7.234 1.00 15.00 C ATOM 1272 O LEU A 87 -1.630 0.392 -7.246 1.00 15.00 O ATOM 1273 CB LEU A 87 0.965 0.140 -5.747 1.00 15.00 C ATOM 1274 CG LEU A 87 1.885 -0.728 -4.893 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.026 0.099 -4.321 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.094 -1.394 -3.778 1.00 15.00 C ATOM 0 H LEU A 87 1.018 1.398 -8.025 1.00 15.00 H new ATOM 0 HA LEU A 87 1.060 -1.435 -7.221 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.439 1.110 -5.895 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.042 0.317 -5.196 1.00 15.00 H new ATOM 0 HG LEU A 87 2.314 -1.505 -5.526 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.670 -0.539 -3.716 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.606 0.531 -5.136 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.621 0.898 -3.701 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.762 -2.010 -3.176 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.639 -0.630 -3.148 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.313 -2.020 -4.210 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.363 -1.837 -7.297 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.791 -2.116 -7.386 1.00 15.00 C ATOM 1290 C LEU A 88 -3.314 -2.548 -6.024 1.00 15.00 C ATOM 1291 O LEU A 88 -3.152 -3.699 -5.620 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.060 -3.202 -8.431 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.201 -2.698 -9.870 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.150 -1.639 -10.174 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.093 -3.855 -10.851 1.00 15.00 C ATOM 0 H LEU A 88 -0.771 -2.668 -7.288 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.311 -1.209 -7.695 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.248 -3.928 -8.395 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.973 -3.730 -8.156 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.185 -2.243 -9.980 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.268 -1.294 -11.201 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.274 -0.797 -9.492 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.155 -2.066 -10.046 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.195 -3.480 -11.869 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.122 -4.338 -10.738 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.884 -4.578 -10.650 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.921 -1.609 -5.310 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.444 -1.883 -3.979 1.00 15.00 C ATOM 1309 C LEU A 89 -5.957 -2.054 -3.989 1.00 15.00 C ATOM 1310 O LEU A 89 -6.570 -2.280 -5.033 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.077 -0.755 -3.011 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.038 0.235 -3.516 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.072 1.495 -2.677 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.662 -0.392 -3.481 1.00 15.00 C ATOM 0 H LEU A 89 -4.063 -0.651 -5.631 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.990 -2.817 -3.648 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.985 -0.205 -2.761 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.709 -1.200 -2.086 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.270 0.500 -4.548 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.325 2.198 -3.046 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.061 1.949 -2.742 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.855 1.246 -1.638 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.926 0.325 -3.845 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.417 -0.676 -2.457 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.650 -1.278 -4.116 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.546 -1.921 -2.806 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.987 -2.034 -2.635 1.00 15.00 C ATOM 1328 C GLU A 90 -8.470 -0.997 -1.624 1.00 15.00 C ATOM 1329 O GLU A 90 -7.776 -0.697 -0.653 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.359 -3.454 -2.182 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.501 -3.515 -1.176 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.802 -4.930 -0.723 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.947 -5.816 -0.933 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.893 -5.152 -0.157 1.00 15.00 O ATOM 0 H GLU A 90 -6.038 -1.732 -1.942 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.478 -1.844 -3.590 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.631 -4.042 -3.058 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.479 -3.924 -1.743 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.249 -2.905 -0.308 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.396 -3.081 -1.621 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.657 -0.450 -1.858 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.219 0.555 -0.963 1.00 15.00 C ATOM 1343 C LYS A 91 -10.281 0.036 0.470 1.00 15.00 C ATOM 1344 O LYS A 91 -11.133 -0.786 0.808 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.613 0.965 -1.437 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.014 2.364 -1.000 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.322 3.429 -1.836 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.134 4.718 -1.053 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.516 4.473 0.280 1.00 15.00 N ATOM 0 H LYS A 91 -10.247 -0.684 -2.656 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.568 1.429 -0.981 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.650 0.908 -2.525 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.343 0.251 -1.056 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.095 2.477 -1.086 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.762 2.504 0.051 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.352 3.059 -2.168 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.910 3.629 -2.732 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.506 5.401 -1.624 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.099 5.207 -0.921 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.941 5.296 0.553 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.264 4.324 0.987 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -9.911 3.628 0.232 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.369 0.522 1.305 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.330 0.099 2.692 1.00 15.00 C ATOM 1365 C GLY A 92 -10.592 0.464 3.448 1.00 15.00 C ATOM 1366 O GLY A 92 -10.809 1.629 3.783 1.00 15.00 O ATOM 0 H GLY A 92 -8.655 1.203 1.045 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.184 -0.980 2.735 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.471 0.556 3.184 1.00 15.00 H new