USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 43 ASN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 15 ASN : amide:sc= -0.0554 K(o=-0.055,f=-2.2!) USER MOD Single : A 17 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.2!) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= -0.349 (180deg=-0.352) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.5 USER MOD Single : A 24 TYR OH : rot 133:sc= 0.365 USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -0.21 (180deg=-0.936) USER MOD Single : A 27 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-4.7!) USER MOD Single : A 28 ASN : amide:sc= -4.23! C(o=-4.2!,f=-2.6!) USER MOD Single : A 33 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 54 ASN : amide:sc=-0.00891 X(o=-0.0089,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.846 K(o=-0.85,f=-0.0071) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0087) USER MOD Single : A 58 ASN : amide:sc= -0.0699 K(o=-0.07,f=-2.2!) USER MOD Single : A 60 SER OG : rot 75:sc= 1.25 USER MOD Single : A 62 THR OG1 : rot -25:sc= 0.858 USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= -0.0343 (180deg=-0.558) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.349) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 0.102 (180deg=-0.735!) USER MOD Single : A 79 MET CE :methyl 153:sc= -0.217 (180deg=-1.37!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.181 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.367 10.879 -11.715 1.00 0.00 N ATOM 12 CA PHE A 13 -9.083 10.061 -10.690 1.00 0.00 C ATOM 13 C PHE A 13 -8.163 8.955 -10.155 1.00 0.00 C ATOM 14 O PHE A 13 -8.094 8.710 -8.964 1.00 0.00 O ATOM 15 CB PHE A 13 -10.327 9.430 -11.338 1.00 0.00 C ATOM 16 CG PHE A 13 -11.482 10.412 -11.318 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.330 11.685 -11.879 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.703 10.049 -10.731 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.395 12.593 -11.855 1.00 0.00 C ATOM 20 CE2 PHE A 13 -13.766 10.958 -10.706 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.612 12.229 -11.268 1.00 0.00 C ATOM 0 HA PHE A 13 -9.379 10.700 -9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.104 9.140 -12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.603 8.521 -10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.390 11.967 -12.331 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.823 9.067 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.277 13.575 -12.290 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.705 10.678 -10.253 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.433 12.930 -11.249 1.00 0.00 H new ATOM 31 N PHE A 14 -7.470 8.278 -11.025 1.00 0.00 N ATOM 32 CA PHE A 14 -6.567 7.181 -10.572 1.00 0.00 C ATOM 33 C PHE A 14 -5.453 7.755 -9.694 1.00 0.00 C ATOM 34 O PHE A 14 -5.068 7.174 -8.697 1.00 0.00 O ATOM 35 CB PHE A 14 -5.946 6.498 -11.790 1.00 0.00 C ATOM 36 CG PHE A 14 -6.987 5.663 -12.501 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.807 6.243 -13.476 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.129 4.307 -12.185 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.766 5.468 -14.136 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.089 3.531 -12.844 1.00 0.00 C ATOM 41 CZ PHE A 14 -8.908 4.112 -13.821 1.00 0.00 C ATOM 0 H PHE A 14 -7.489 8.436 -12.033 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.144 6.457 -9.997 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.542 7.247 -12.471 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.113 5.868 -11.479 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.699 7.290 -13.719 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.497 3.859 -11.432 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.397 5.916 -14.889 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.199 2.485 -12.600 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.649 3.514 -14.331 1.00 0.00 H new ATOM 51 N ASN A 15 -4.924 8.887 -10.068 1.00 0.00 N ATOM 52 CA ASN A 15 -3.823 9.501 -9.273 1.00 0.00 C ATOM 53 C ASN A 15 -4.319 9.847 -7.862 1.00 0.00 C ATOM 54 O ASN A 15 -3.621 9.655 -6.886 1.00 0.00 O ATOM 55 CB ASN A 15 -3.354 10.778 -9.976 1.00 0.00 C ATOM 56 CG ASN A 15 -2.488 10.419 -11.186 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.018 9.304 -11.305 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.255 11.325 -12.098 1.00 0.00 N ATOM 0 H ASN A 15 -5.208 9.415 -10.893 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.997 8.794 -9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.215 11.365 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.786 11.398 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.679 11.097 -12.909 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.649 12.261 -12.000 1.00 0.00 H new ATOM 65 N GLU A 16 -5.513 10.364 -7.749 1.00 0.00 N ATOM 66 CA GLU A 16 -6.047 10.730 -6.404 1.00 0.00 C ATOM 67 C GLU A 16 -6.234 9.468 -5.554 1.00 0.00 C ATOM 68 O GLU A 16 -5.963 9.458 -4.368 1.00 0.00 O ATOM 69 CB GLU A 16 -7.398 11.426 -6.576 1.00 0.00 C ATOM 70 CG GLU A 16 -7.214 12.789 -7.248 1.00 0.00 C ATOM 71 CD GLU A 16 -6.495 13.743 -6.292 1.00 0.00 C ATOM 72 OE1 GLU A 16 -6.341 13.385 -5.135 1.00 0.00 O ATOM 73 OE2 GLU A 16 -6.125 14.821 -6.727 1.00 0.00 O ATOM 0 H GLU A 16 -6.142 10.549 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.343 11.396 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.061 10.804 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.875 11.554 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.638 12.677 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.184 13.201 -7.527 1.00 0.00 H new ATOM 80 N GLN A 17 -6.704 8.409 -6.152 1.00 0.00 N ATOM 81 CA GLN A 17 -6.922 7.144 -5.389 1.00 0.00 C ATOM 82 C GLN A 17 -5.582 6.591 -4.895 1.00 0.00 C ATOM 83 O GLN A 17 -5.469 6.097 -3.788 1.00 0.00 O ATOM 84 CB GLN A 17 -7.585 6.118 -6.308 1.00 0.00 C ATOM 85 CG GLN A 17 -9.000 6.574 -6.672 1.00 0.00 C ATOM 86 CD GLN A 17 -9.877 6.570 -5.420 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.926 5.590 -4.702 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.578 7.629 -5.124 1.00 0.00 N ATOM 0 H GLN A 17 -6.948 8.363 -7.141 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.561 7.346 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.991 5.992 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.623 5.147 -5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.971 7.574 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.424 5.912 -7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.538 8.452 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.167 7.635 -4.291 1.00 0.00 H new ATOM 97 N LYS A 18 -4.569 6.665 -5.710 1.00 0.00 N ATOM 98 CA LYS A 18 -3.232 6.144 -5.303 1.00 0.00 C ATOM 99 C LYS A 18 -2.691 6.947 -4.118 1.00 0.00 C ATOM 100 O LYS A 18 -2.103 6.404 -3.201 1.00 0.00 O ATOM 101 CB LYS A 18 -2.265 6.269 -6.479 1.00 0.00 C ATOM 102 CG LYS A 18 -2.647 5.266 -7.570 1.00 0.00 C ATOM 103 CD LYS A 18 -1.687 5.409 -8.754 1.00 0.00 C ATOM 104 CE LYS A 18 -2.067 4.402 -9.841 1.00 0.00 C ATOM 105 NZ LYS A 18 -1.143 4.546 -11.001 1.00 0.00 N ATOM 0 H LYS A 18 -4.608 7.066 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.331 5.099 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.292 7.283 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.244 6.085 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.606 4.251 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.672 5.440 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.730 6.423 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.661 5.238 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.015 3.388 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.096 4.567 -10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.454 3.921 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.151 5.532 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.179 4.285 -10.711 1.00 0.00 H new ATOM 119 N GLU A 19 -2.868 8.238 -4.139 1.00 0.00 N ATOM 120 CA GLU A 19 -2.348 9.082 -3.026 1.00 0.00 C ATOM 121 C GLU A 19 -3.086 8.747 -1.727 1.00 0.00 C ATOM 122 O GLU A 19 -2.492 8.685 -0.666 1.00 0.00 O ATOM 123 CB GLU A 19 -2.570 10.555 -3.376 1.00 0.00 C ATOM 124 CG GLU A 19 -1.724 11.450 -2.466 1.00 0.00 C ATOM 125 CD GLU A 19 -2.302 11.432 -1.051 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.507 11.289 -0.927 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.531 11.559 -0.114 1.00 0.00 O ATOM 0 H GLU A 19 -3.351 8.747 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.284 8.888 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.306 10.732 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.625 10.807 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.692 11.101 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.711 12.469 -2.852 1.00 0.00 H new ATOM 134 N LYS A 20 -4.371 8.534 -1.798 1.00 0.00 N ATOM 135 CA LYS A 20 -5.142 8.204 -0.564 1.00 0.00 C ATOM 136 C LYS A 20 -4.641 6.877 0.009 1.00 0.00 C ATOM 137 O LYS A 20 -4.482 6.718 1.205 1.00 0.00 O ATOM 138 CB LYS A 20 -6.626 8.069 -0.909 1.00 0.00 C ATOM 139 CG LYS A 20 -7.200 9.434 -1.296 1.00 0.00 C ATOM 140 CD LYS A 20 -8.689 9.285 -1.625 1.00 0.00 C ATOM 141 CE LYS A 20 -9.284 10.654 -1.966 1.00 0.00 C ATOM 142 NZ LYS A 20 -8.908 11.022 -3.360 1.00 0.00 N ATOM 0 H LYS A 20 -4.921 8.574 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.006 8.999 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.754 7.365 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.171 7.665 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.066 10.142 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.665 9.835 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.819 8.602 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.217 8.850 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.369 10.627 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.918 11.407 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.339 11.936 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.873 11.097 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.249 10.291 -4.016 1.00 0.00 H new ATOM 156 N VAL A 21 -4.402 5.921 -0.844 1.00 0.00 N ATOM 157 CA VAL A 21 -3.920 4.591 -0.377 1.00 0.00 C ATOM 158 C VAL A 21 -2.535 4.733 0.261 1.00 0.00 C ATOM 159 O VAL A 21 -2.250 4.151 1.291 1.00 0.00 O ATOM 160 CB VAL A 21 -3.825 3.651 -1.581 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.196 2.323 -1.152 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.226 3.397 -2.149 1.00 0.00 C ATOM 0 H VAL A 21 -4.521 6.005 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.614 4.190 0.361 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.203 4.112 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.130 1.657 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.197 2.505 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.813 1.861 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.155 2.727 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.852 2.940 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.668 4.343 -2.463 1.00 0.00 H new ATOM 172 N THR A 22 -1.675 5.491 -0.356 1.00 0.00 N ATOM 173 CA THR A 22 -0.296 5.670 0.182 1.00 0.00 C ATOM 174 C THR A 22 -0.351 6.313 1.571 1.00 0.00 C ATOM 175 O THR A 22 0.344 5.902 2.481 1.00 0.00 O ATOM 176 CB THR A 22 0.485 6.581 -0.767 1.00 0.00 C ATOM 177 OG1 THR A 22 0.601 5.951 -2.035 1.00 0.00 O ATOM 178 CG2 THR A 22 1.881 6.857 -0.203 1.00 0.00 C ATOM 0 H THR A 22 -1.869 6.000 -1.219 1.00 0.00 H new ATOM 0 HA THR A 22 0.192 4.699 0.263 1.00 0.00 H new ATOM 0 HB THR A 22 -0.047 7.526 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.241 6.049 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.428 7.506 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.791 7.345 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.419 5.916 -0.088 1.00 0.00 H new ATOM 186 N LEU A 23 -1.155 7.324 1.739 1.00 0.00 N ATOM 187 CA LEU A 23 -1.236 7.999 3.065 1.00 0.00 C ATOM 188 C LEU A 23 -1.755 7.026 4.128 1.00 0.00 C ATOM 189 O LEU A 23 -1.251 6.971 5.233 1.00 0.00 O ATOM 190 CB LEU A 23 -2.184 9.199 2.958 1.00 0.00 C ATOM 191 CG LEU A 23 -2.374 9.855 4.336 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.009 10.225 4.937 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.228 11.121 4.182 1.00 0.00 C ATOM 0 H LEU A 23 -1.760 7.713 1.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.241 8.335 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.782 9.927 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.148 8.875 2.566 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.875 9.152 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.155 10.689 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.405 9.325 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.498 10.924 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.365 11.589 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.726 11.819 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.201 10.856 3.767 1.00 0.00 H new ATOM 205 N TYR A 24 -2.770 6.276 3.806 1.00 0.00 N ATOM 206 CA TYR A 24 -3.343 5.318 4.796 1.00 0.00 C ATOM 207 C TYR A 24 -2.296 4.266 5.175 1.00 0.00 C ATOM 208 O TYR A 24 -2.122 3.933 6.332 1.00 0.00 O ATOM 209 CB TYR A 24 -4.564 4.635 4.179 1.00 0.00 C ATOM 210 CG TYR A 24 -5.101 3.588 5.128 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.868 3.973 6.234 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.832 2.233 4.899 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.365 3.001 7.112 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.328 1.261 5.777 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.095 1.646 6.884 1.00 0.00 C ATOM 216 OH TYR A 24 -6.584 0.690 7.752 1.00 0.00 O ATOM 0 H TYR A 24 -3.231 6.284 2.896 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.638 5.857 5.696 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.336 5.374 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.292 4.173 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.076 5.018 6.410 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.241 1.937 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.957 3.297 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.119 0.216 5.601 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.999 -0.035 7.240 1.00 0.00 H new ATOM 226 N LEU A 25 -1.612 3.733 4.204 1.00 0.00 N ATOM 227 CA LEU A 25 -0.583 2.694 4.492 1.00 0.00 C ATOM 228 C LEU A 25 0.544 3.293 5.331 1.00 0.00 C ATOM 229 O LEU A 25 1.061 2.668 6.233 1.00 0.00 O ATOM 230 CB LEU A 25 -0.009 2.174 3.174 1.00 0.00 C ATOM 231 CG LEU A 25 -1.084 1.384 2.411 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.577 1.075 0.998 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.414 0.068 3.148 1.00 0.00 C ATOM 0 H LEU A 25 -1.721 3.972 3.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.045 1.876 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.342 3.008 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.853 1.537 3.369 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.992 1.984 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.337 0.515 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.369 2.008 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.336 0.483 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.177 -0.478 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.514 -0.542 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.784 0.294 4.148 1.00 0.00 H new ATOM 245 N LYS A 26 0.941 4.495 5.031 1.00 0.00 N ATOM 246 CA LYS A 26 2.052 5.122 5.800 1.00 0.00 C ATOM 247 C LYS A 26 1.701 5.207 7.289 1.00 0.00 C ATOM 248 O LYS A 26 2.513 4.905 8.143 1.00 0.00 O ATOM 249 CB LYS A 26 2.301 6.532 5.261 1.00 0.00 C ATOM 250 CG LYS A 26 3.673 7.025 5.729 1.00 0.00 C ATOM 251 CD LYS A 26 4.006 8.362 5.055 1.00 0.00 C ATOM 252 CE LYS A 26 3.027 9.452 5.510 1.00 0.00 C ATOM 253 NZ LYS A 26 2.785 9.341 6.975 1.00 0.00 N ATOM 0 H LYS A 26 0.546 5.071 4.288 1.00 0.00 H new ATOM 0 HA LYS A 26 2.946 4.510 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.256 6.529 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.521 7.209 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.676 7.143 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.437 6.286 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.026 8.656 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.959 8.252 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.431 10.436 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.086 9.355 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.383 10.232 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.119 8.564 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.684 9.149 7.462 1.00 0.00 H new ATOM 267 N HIS A 27 0.513 5.625 7.612 1.00 0.00 N ATOM 268 CA HIS A 27 0.130 5.738 9.048 1.00 0.00 C ATOM 269 C HIS A 27 0.029 4.347 9.681 1.00 0.00 C ATOM 270 O HIS A 27 0.384 4.153 10.828 1.00 0.00 O ATOM 271 CB HIS A 27 -1.210 6.461 9.164 1.00 0.00 C ATOM 272 CG HIS A 27 -1.021 7.926 8.871 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.281 8.755 9.700 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.466 8.721 7.847 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.300 9.988 9.161 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.009 10.023 8.029 1.00 0.00 N ATOM 0 H HIS A 27 -0.211 5.894 6.946 1.00 0.00 H new ATOM 0 HA HIS A 27 0.895 6.307 9.576 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.929 6.030 8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.620 6.330 10.166 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.192 8.481 10.561 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.079 8.387 7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.197 10.845 9.591 1.00 0.00 H new ATOM 284 N ASN A 28 -0.457 3.378 8.950 1.00 0.00 N ATOM 285 CA ASN A 28 -0.581 2.006 9.520 1.00 0.00 C ATOM 286 C ASN A 28 0.725 1.251 9.297 1.00 0.00 C ATOM 287 O ASN A 28 0.896 0.142 9.766 1.00 0.00 O ATOM 288 CB ASN A 28 -1.711 1.257 8.816 1.00 0.00 C ATOM 289 CG ASN A 28 -3.009 2.057 8.930 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.762 2.147 7.982 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.303 2.645 10.056 1.00 0.00 N ATOM 0 H ASN A 28 -0.772 3.478 7.985 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.796 2.076 10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.459 1.102 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.840 0.271 9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.166 3.181 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.670 2.569 10.852 1.00 0.00 H new ATOM 298 N ILE A 29 1.651 1.845 8.585 1.00 0.00 N ATOM 299 CA ILE A 29 2.960 1.172 8.329 1.00 0.00 C ATOM 300 C ILE A 29 4.104 2.193 8.468 1.00 0.00 C ATOM 301 O ILE A 29 4.362 2.955 7.559 1.00 0.00 O ATOM 302 CB ILE A 29 2.974 0.576 6.925 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.718 -0.278 6.750 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.218 -0.306 6.781 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.730 -0.935 5.373 1.00 0.00 C ATOM 0 H ILE A 29 1.555 2.771 8.169 1.00 0.00 H new ATOM 0 HA ILE A 29 3.097 0.373 9.057 1.00 0.00 H new ATOM 0 HB ILE A 29 2.994 1.363 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.674 -1.041 7.527 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.828 0.341 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.243 -0.740 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.112 0.298 6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.186 -1.104 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.833 -1.543 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.753 -0.164 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.613 -1.568 5.279 1.00 0.00 H new ATOM 317 N PRO A 30 4.781 2.230 9.599 1.00 0.00 N ATOM 318 CA PRO A 30 5.902 3.195 9.830 1.00 0.00 C ATOM 319 C PRO A 30 7.139 2.830 9.004 1.00 0.00 C ATOM 320 O PRO A 30 8.055 3.615 8.846 1.00 0.00 O ATOM 321 CB PRO A 30 6.176 3.080 11.338 1.00 0.00 C ATOM 322 CG PRO A 30 5.728 1.703 11.711 1.00 0.00 C ATOM 323 CD PRO A 30 4.578 1.350 10.767 1.00 0.00 C ATOM 0 HA PRO A 30 5.650 4.211 9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.234 3.224 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.628 3.838 11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.545 0.989 11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.401 1.670 12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.606 0.298 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.610 1.528 11.235 1.00 0.00 H new ATOM 331 N ASP A 31 7.165 1.634 8.483 1.00 0.00 N ATOM 332 CA ASP A 31 8.328 1.187 7.666 1.00 0.00 C ATOM 333 C ASP A 31 8.070 1.520 6.195 1.00 0.00 C ATOM 334 O ASP A 31 8.838 1.164 5.322 1.00 0.00 O ATOM 335 CB ASP A 31 8.494 -0.327 7.826 1.00 0.00 C ATOM 336 CG ASP A 31 8.931 -0.646 9.258 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.351 0.268 9.948 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.836 -1.802 9.641 1.00 0.00 O ATOM 0 H ASP A 31 6.424 0.942 8.590 1.00 0.00 H new ATOM 0 HA ASP A 31 9.234 1.694 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.555 -0.832 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.234 -0.699 7.118 1.00 0.00 H new ATOM 343 N PHE A 32 6.987 2.189 5.915 1.00 0.00 N ATOM 344 CA PHE A 32 6.662 2.532 4.504 1.00 0.00 C ATOM 345 C PHE A 32 7.833 3.278 3.860 1.00 0.00 C ATOM 346 O PHE A 32 8.348 4.240 4.399 1.00 0.00 O ATOM 347 CB PHE A 32 5.422 3.425 4.477 1.00 0.00 C ATOM 348 CG PHE A 32 5.049 3.733 3.046 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.730 4.735 2.345 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.022 3.015 2.423 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.383 5.017 1.017 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.675 3.297 1.098 1.00 0.00 C ATOM 353 CZ PHE A 32 4.355 4.299 0.394 1.00 0.00 C ATOM 0 H PHE A 32 6.311 2.514 6.606 1.00 0.00 H new ATOM 0 HA PHE A 32 6.474 1.614 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.593 2.928 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.616 4.350 5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.521 5.290 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.497 2.243 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.909 5.788 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.883 2.742 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.086 4.518 -0.629 1.00 0.00 H new ATOM 363 N ASN A 33 8.249 2.829 2.702 1.00 0.00 N ATOM 364 CA ASN A 33 9.383 3.479 1.979 1.00 0.00 C ATOM 365 C ASN A 33 8.930 3.852 0.567 1.00 0.00 C ATOM 366 O ASN A 33 9.006 4.996 0.159 1.00 0.00 O ATOM 367 CB ASN A 33 10.543 2.491 1.884 1.00 0.00 C ATOM 368 CG ASN A 33 11.788 3.215 1.378 1.00 0.00 C ATOM 369 OD1 ASN A 33 12.002 4.370 1.687 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.629 2.580 0.607 1.00 0.00 N ATOM 0 H ASN A 33 7.843 2.027 2.220 1.00 0.00 H new ATOM 0 HA ASN A 33 9.699 4.374 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.738 2.048 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.285 1.674 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.465 3.054 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.450 1.610 0.347 1.00 0.00 H new ATOM 377 N THR A 34 8.455 2.893 -0.183 1.00 0.00 N ATOM 378 CA THR A 34 7.991 3.185 -1.571 1.00 0.00 C ATOM 379 C THR A 34 6.814 2.277 -1.920 1.00 0.00 C ATOM 380 O THR A 34 6.645 1.214 -1.349 1.00 0.00 O ATOM 381 CB THR A 34 9.133 2.945 -2.562 1.00 0.00 C ATOM 382 OG1 THR A 34 8.631 3.053 -3.887 1.00 0.00 O ATOM 383 CG2 THR A 34 9.721 1.550 -2.350 1.00 0.00 C ATOM 0 H THR A 34 8.368 1.919 0.106 1.00 0.00 H new ATOM 0 HA THR A 34 7.676 4.227 -1.631 1.00 0.00 H new ATOM 0 HB THR A 34 9.914 3.688 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.359 2.902 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.533 1.386 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.104 1.467 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.945 0.800 -2.507 1.00 0.00 H new ATOM 391 N VAL A 35 5.998 2.690 -2.860 1.00 0.00 N ATOM 392 CA VAL A 35 4.821 1.863 -3.262 1.00 0.00 C ATOM 393 C VAL A 35 4.662 1.890 -4.780 1.00 0.00 C ATOM 394 O VAL A 35 4.842 2.912 -5.416 1.00 0.00 O ATOM 395 CB VAL A 35 3.560 2.427 -2.609 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.341 3.875 -3.058 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.355 1.582 -3.023 1.00 0.00 C ATOM 0 H VAL A 35 6.099 3.569 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 35 4.976 0.834 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 35 3.676 2.401 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.440 4.269 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.198 4.481 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.228 3.907 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.454 1.982 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.247 1.609 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.504 0.552 -2.699 1.00 0.00 H new ATOM 407 N THR A 36 4.322 0.767 -5.363 1.00 0.00 N ATOM 408 CA THR A 36 4.136 0.692 -6.844 1.00 0.00 C ATOM 409 C THR A 36 2.739 0.149 -7.141 1.00 0.00 C ATOM 410 O THR A 36 2.338 -0.875 -6.622 1.00 0.00 O ATOM 411 CB THR A 36 5.189 -0.241 -7.438 1.00 0.00 C ATOM 412 OG1 THR A 36 6.484 0.292 -7.188 1.00 0.00 O ATOM 413 CG2 THR A 36 4.966 -0.369 -8.946 1.00 0.00 C ATOM 0 H THR A 36 4.164 -0.111 -4.869 1.00 0.00 H new ATOM 0 HA THR A 36 4.244 1.683 -7.285 1.00 0.00 H new ATOM 0 HB THR A 36 5.107 -1.226 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.162 -0.305 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.718 -1.035 -9.370 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.973 -0.777 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.048 0.614 -9.411 1.00 0.00 H new ATOM 421 N PHE A 37 1.990 0.836 -7.964 1.00 0.00 N ATOM 422 CA PHE A 37 0.609 0.380 -8.292 1.00 0.00 C ATOM 423 C PHE A 37 0.610 -0.380 -9.620 1.00 0.00 C ATOM 424 O PHE A 37 1.052 0.120 -10.637 1.00 0.00 O ATOM 425 CB PHE A 37 -0.302 1.603 -8.397 1.00 0.00 C ATOM 426 CG PHE A 37 -0.388 2.266 -7.045 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.272 1.772 -6.079 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.425 3.368 -6.750 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.348 2.378 -4.821 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.350 3.975 -5.490 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.536 3.481 -4.526 1.00 0.00 C ATOM 0 H PHE A 37 2.279 1.699 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 37 0.247 -0.286 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.090 2.302 -9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.295 1.306 -8.735 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.897 0.921 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.109 3.749 -7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.032 1.996 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.976 4.825 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.594 3.950 -3.555 1.00 0.00 H new ATOM 441 N THR A 38 0.111 -1.591 -9.613 1.00 0.00 N ATOM 442 CA THR A 38 0.065 -2.405 -10.863 1.00 0.00 C ATOM 443 C THR A 38 -1.344 -2.327 -11.454 1.00 0.00 C ATOM 444 O THR A 38 -1.566 -2.665 -12.599 1.00 0.00 O ATOM 445 CB THR A 38 0.406 -3.858 -10.521 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.602 -4.397 -9.678 1.00 0.00 O ATOM 447 CG2 THR A 38 1.755 -3.906 -9.800 1.00 0.00 C ATOM 0 H THR A 38 -0.269 -2.053 -8.787 1.00 0.00 H new ATOM 0 HA THR A 38 0.784 -2.025 -11.589 1.00 0.00 H new ATOM 0 HB THR A 38 0.462 -4.445 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.384 -5.327 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.000 -4.939 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.529 -3.493 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.698 -3.320 -8.883 1.00 0.00 H new ATOM 455 N ASN A 39 -2.292 -1.873 -10.674 1.00 0.00 N ATOM 456 CA ASN A 39 -3.700 -1.752 -11.172 1.00 0.00 C ATOM 457 C ASN A 39 -4.220 -3.110 -11.646 1.00 0.00 C ATOM 458 O ASN A 39 -3.480 -3.938 -12.141 1.00 0.00 O ATOM 459 CB ASN A 39 -3.771 -0.757 -12.337 1.00 0.00 C ATOM 460 CG ASN A 39 -3.197 0.587 -11.899 1.00 0.00 C ATOM 461 OD1 ASN A 39 -3.603 1.134 -10.893 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.266 1.149 -12.617 1.00 0.00 N ATOM 0 H ASN A 39 -2.152 -1.579 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.318 -1.395 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.213 -1.141 -13.191 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.804 -0.634 -12.661 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.878 2.049 -12.335 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.926 0.689 -13.461 1.00 0.00 H new ATOM 469 N GLU A 40 -5.503 -3.340 -11.504 1.00 0.00 N ATOM 470 CA GLU A 40 -6.096 -4.639 -11.948 1.00 0.00 C ATOM 471 C GLU A 40 -7.445 -4.393 -12.621 1.00 0.00 C ATOM 472 O GLU A 40 -7.770 -3.288 -13.014 1.00 0.00 O ATOM 473 CB GLU A 40 -6.297 -5.551 -10.736 1.00 0.00 C ATOM 474 CG GLU A 40 -4.942 -5.933 -10.139 1.00 0.00 C ATOM 475 CD GLU A 40 -4.145 -6.763 -11.148 1.00 0.00 C ATOM 476 OE1 GLU A 40 -4.758 -7.310 -12.049 1.00 0.00 O ATOM 477 OE2 GLU A 40 -2.936 -6.836 -11.003 1.00 0.00 O ATOM 0 H GLU A 40 -6.167 -2.681 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.419 -5.114 -12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.904 -5.044 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.839 -6.449 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.385 -5.034 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.087 -6.502 -9.220 1.00 0.00 H new ATOM 484 N GLU A 41 -8.223 -5.429 -12.769 1.00 0.00 N ATOM 485 CA GLU A 41 -9.552 -5.303 -13.431 1.00 0.00 C ATOM 486 C GLU A 41 -10.466 -4.361 -12.643 1.00 0.00 C ATOM 487 O GLU A 41 -10.013 -3.555 -11.853 1.00 0.00 O ATOM 488 CB GLU A 41 -10.189 -6.689 -13.516 1.00 0.00 C ATOM 489 CG GLU A 41 -9.368 -7.560 -14.465 1.00 0.00 C ATOM 490 CD GLU A 41 -9.964 -8.968 -14.517 1.00 0.00 C ATOM 491 OE1 GLU A 41 -10.947 -9.201 -13.830 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.430 -9.790 -15.242 1.00 0.00 O ATOM 0 H GLU A 41 -7.991 -6.371 -12.455 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.417 -4.887 -14.429 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.229 -7.145 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.216 -6.609 -13.872 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.360 -7.121 -15.463 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.332 -7.605 -14.129 1.00 0.00 H new ATOM 499 N PHE A 42 -11.761 -4.447 -12.869 1.00 0.00 N ATOM 500 CA PHE A 42 -12.724 -3.552 -12.153 1.00 0.00 C ATOM 501 C PHE A 42 -13.506 -4.349 -11.115 1.00 0.00 C ATOM 502 O PHE A 42 -14.042 -5.405 -11.394 1.00 0.00 O ATOM 503 CB PHE A 42 -13.690 -2.928 -13.160 1.00 0.00 C ATOM 504 CG PHE A 42 -14.518 -4.001 -13.832 1.00 0.00 C ATOM 505 CD1 PHE A 42 -14.056 -4.606 -15.008 1.00 0.00 C ATOM 506 CD2 PHE A 42 -15.753 -4.378 -13.290 1.00 0.00 C ATOM 507 CE1 PHE A 42 -14.828 -5.590 -15.639 1.00 0.00 C ATOM 508 CE2 PHE A 42 -16.525 -5.359 -13.924 1.00 0.00 C ATOM 509 CZ PHE A 42 -16.063 -5.965 -15.098 1.00 0.00 C ATOM 0 H PHE A 42 -12.190 -5.103 -13.522 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.168 -2.762 -11.647 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.345 -2.218 -12.654 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.132 -2.368 -13.910 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.105 -4.314 -15.428 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -16.110 -3.912 -12.383 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -14.470 -6.059 -16.543 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.478 -5.648 -13.507 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.659 -6.722 -15.586 1.00 0.00 H new ATOM 519 N ASN A 43 -13.569 -3.851 -9.909 1.00 0.00 N ATOM 520 CA ASN A 43 -14.304 -4.576 -8.839 1.00 0.00 C ATOM 521 C ASN A 43 -15.774 -4.117 -8.812 1.00 0.00 C ATOM 522 O ASN A 43 -16.084 -3.014 -9.216 1.00 0.00 O ATOM 523 CB ASN A 43 -13.644 -4.272 -7.484 1.00 0.00 C ATOM 524 CG ASN A 43 -12.432 -5.186 -7.284 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.140 -6.021 -8.119 1.00 0.00 O ATOM 526 ND2 ASN A 43 -11.705 -5.064 -6.210 1.00 0.00 N ATOM 0 H ASN A 43 -13.141 -2.971 -9.621 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.270 -5.648 -9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.334 -3.228 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.362 -4.422 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.894 -5.667 -6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.946 -4.365 -5.507 1.00 0.00 H new ATOM 533 N PRO A 44 -16.667 -4.946 -8.309 1.00 0.00 N ATOM 534 CA PRO A 44 -18.119 -4.600 -8.208 1.00 0.00 C ATOM 535 C PRO A 44 -18.330 -3.222 -7.558 1.00 0.00 C ATOM 536 O PRO A 44 -19.213 -2.473 -7.930 1.00 0.00 O ATOM 537 CB PRO A 44 -18.686 -5.699 -7.292 1.00 0.00 C ATOM 538 CG PRO A 44 -17.776 -6.874 -7.462 1.00 0.00 C ATOM 539 CD PRO A 44 -16.395 -6.313 -7.813 1.00 0.00 C ATOM 0 HA PRO A 44 -18.598 -4.549 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.711 -5.369 -6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.709 -5.952 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.733 -7.465 -6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.138 -7.533 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.740 -6.296 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.901 -6.920 -8.572 1.00 0.00 H new ATOM 547 N ILE A 45 -17.522 -2.895 -6.590 1.00 0.00 N ATOM 548 CA ILE A 45 -17.660 -1.581 -5.906 1.00 0.00 C ATOM 549 C ILE A 45 -17.277 -0.461 -6.874 1.00 0.00 C ATOM 550 O ILE A 45 -17.880 0.595 -6.895 1.00 0.00 O ATOM 551 CB ILE A 45 -16.732 -1.554 -4.685 1.00 0.00 C ATOM 552 CG1 ILE A 45 -17.006 -0.295 -3.856 1.00 0.00 C ATOM 553 CG2 ILE A 45 -15.270 -1.553 -5.146 1.00 0.00 C ATOM 554 CD1 ILE A 45 -16.324 -0.420 -2.492 1.00 0.00 C ATOM 0 H ILE A 45 -16.767 -3.486 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.691 -1.436 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 45 -16.919 -2.438 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -16.635 0.586 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -18.080 -0.160 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.614 -1.534 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.072 -2.452 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.083 -0.673 -5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.520 0.476 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -16.716 -1.291 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -15.249 -0.534 -2.632 1.00 0.00 H new ATOM 566 N GLY A 46 -16.272 -0.684 -7.672 1.00 0.00 N ATOM 567 CA GLY A 46 -15.843 0.365 -8.635 1.00 0.00 C ATOM 568 C GLY A 46 -14.622 -0.120 -9.412 1.00 0.00 C ATOM 569 O GLY A 46 -14.746 -0.836 -10.388 1.00 0.00 O ATOM 0 H GLY A 46 -15.729 -1.547 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.656 0.595 -9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.605 1.286 -8.103 1.00 0.00 H new ATOM 573 N ILE A 47 -13.442 0.269 -8.987 1.00 0.00 N ATOM 574 CA ILE A 47 -12.192 -0.155 -9.694 1.00 0.00 C ATOM 575 C ILE A 47 -11.285 -0.929 -8.735 1.00 0.00 C ATOM 576 O ILE A 47 -11.273 -0.690 -7.543 1.00 0.00 O ATOM 577 CB ILE A 47 -11.467 1.088 -10.214 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.158 2.044 -9.055 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.360 1.794 -11.233 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.313 3.210 -9.569 1.00 0.00 C ATOM 0 H ILE A 47 -13.291 0.867 -8.174 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.448 -0.805 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.529 0.789 -10.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.085 2.417 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.625 1.515 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.851 2.682 -11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.571 1.118 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.295 2.087 -10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.093 3.890 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.380 2.828 -9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.863 3.744 -10.344 1.00 0.00 H new ATOM 592 N SER A 48 -10.527 -1.864 -9.251 1.00 0.00 N ATOM 593 CA SER A 48 -9.619 -2.671 -8.383 1.00 0.00 C ATOM 594 C SER A 48 -8.196 -2.127 -8.492 1.00 0.00 C ATOM 595 O SER A 48 -7.643 -2.022 -9.570 1.00 0.00 O ATOM 596 CB SER A 48 -9.640 -4.126 -8.849 1.00 0.00 C ATOM 597 OG SER A 48 -9.065 -4.950 -7.845 1.00 0.00 O ATOM 0 H SER A 48 -10.499 -2.103 -10.242 1.00 0.00 H new ATOM 0 HA SER A 48 -9.954 -2.611 -7.347 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.664 -4.440 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.085 -4.229 -9.782 1.00 0.00 H new ATOM 0 HG SER A 48 -9.079 -5.884 -8.141 1.00 0.00 H new ATOM 603 N ILE A 49 -7.599 -1.790 -7.376 1.00 0.00 N ATOM 604 CA ILE A 49 -6.206 -1.257 -7.382 1.00 0.00 C ATOM 605 C ILE A 49 -5.297 -2.226 -6.639 1.00 0.00 C ATOM 606 O ILE A 49 -5.585 -2.637 -5.533 1.00 0.00 O ATOM 607 CB ILE A 49 -6.182 0.102 -6.690 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.993 1.095 -7.523 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.735 0.587 -6.571 1.00 0.00 C ATOM 610 CD1 ILE A 49 -7.205 2.386 -6.731 1.00 0.00 C ATOM 0 H ILE A 49 -8.024 -1.863 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.857 -1.145 -8.409 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.614 0.020 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.472 1.311 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.956 0.659 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.716 1.558 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.158 -0.129 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.299 0.678 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.783 3.089 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.745 2.164 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.238 2.826 -6.487 1.00 0.00 H new ATOM 622 N ASP A 50 -4.201 -2.596 -7.247 1.00 0.00 N ATOM 623 CA ASP A 50 -3.252 -3.549 -6.600 1.00 0.00 C ATOM 624 C ASP A 50 -1.839 -2.984 -6.681 1.00 0.00 C ATOM 625 O ASP A 50 -1.508 -2.236 -7.583 1.00 0.00 O ATOM 626 CB ASP A 50 -3.301 -4.888 -7.338 1.00 0.00 C ATOM 627 CG ASP A 50 -2.656 -5.978 -6.478 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.828 -5.934 -5.271 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.004 -6.840 -7.043 1.00 0.00 O ATOM 0 H ASP A 50 -3.920 -2.275 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.531 -3.693 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.334 -5.153 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.779 -4.808 -8.291 1.00 0.00 H new ATOM 634 N GLY A 51 -1.003 -3.341 -5.746 1.00 0.00 N ATOM 635 CA GLY A 51 0.392 -2.826 -5.771 1.00 0.00 C ATOM 636 C GLY A 51 1.203 -3.469 -4.649 1.00 0.00 C ATOM 637 O GLY A 51 0.717 -4.314 -3.919 1.00 0.00 O ATOM 0 H GLY A 51 -1.225 -3.964 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.852 -3.044 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.391 -1.742 -5.656 1.00 0.00 H new ATOM 641 N TYR A 52 2.441 -3.075 -4.509 1.00 0.00 N ATOM 642 CA TYR A 52 3.309 -3.654 -3.441 1.00 0.00 C ATOM 643 C TYR A 52 4.232 -2.579 -2.881 1.00 0.00 C ATOM 644 O TYR A 52 4.421 -1.535 -3.475 1.00 0.00 O ATOM 645 CB TYR A 52 4.143 -4.800 -4.017 1.00 0.00 C ATOM 646 CG TYR A 52 4.803 -4.356 -5.303 1.00 0.00 C ATOM 647 CD1 TYR A 52 6.047 -3.712 -5.274 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.171 -4.598 -6.528 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.656 -3.312 -6.472 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.778 -4.196 -7.724 1.00 0.00 C ATOM 651 CZ TYR A 52 6.021 -3.555 -7.696 1.00 0.00 C ATOM 652 OH TYR A 52 6.622 -3.163 -8.876 1.00 0.00 O ATOM 0 H TYR A 52 2.892 -2.371 -5.093 1.00 0.00 H new ATOM 0 HA TYR A 52 2.678 -4.036 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.900 -5.109 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.508 -5.666 -4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.536 -3.524 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.213 -5.096 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.615 -2.816 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.287 -4.381 -8.668 1.00 0.00 H new ATOM 0 HH TYR A 52 6.049 -3.408 -9.632 1.00 0.00 H new ATOM 662 N ILE A 53 4.798 -2.829 -1.721 1.00 0.00 N ATOM 663 CA ILE A 53 5.709 -1.825 -1.079 1.00 0.00 C ATOM 664 C ILE A 53 7.097 -2.421 -0.844 1.00 0.00 C ATOM 665 O ILE A 53 7.282 -3.621 -0.842 1.00 0.00 O ATOM 666 CB ILE A 53 5.112 -1.385 0.261 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.907 -2.602 1.174 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.769 -0.699 0.019 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.436 -2.134 2.553 1.00 0.00 C ATOM 0 H ILE A 53 4.667 -3.690 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 53 5.808 -0.968 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 53 5.798 -0.690 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.172 -3.278 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.838 -3.161 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.344 -0.386 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.916 0.174 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.088 -1.395 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.291 -2.999 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.187 -1.476 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.495 -1.594 2.452 1.00 0.00 H new ATOM 681 N ASN A 54 8.068 -1.568 -0.647 1.00 0.00 N ATOM 682 CA ASN A 54 9.464 -2.031 -0.406 1.00 0.00 C ATOM 683 C ASN A 54 9.922 -2.912 -1.572 1.00 0.00 C ATOM 684 O ASN A 54 10.702 -3.833 -1.410 1.00 0.00 O ATOM 685 CB ASN A 54 9.529 -2.807 0.919 1.00 0.00 C ATOM 686 CG ASN A 54 9.356 -1.824 2.082 1.00 0.00 C ATOM 687 OD1 ASN A 54 10.269 -1.090 2.411 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.215 -1.767 2.715 1.00 0.00 N ATOM 0 H ASN A 54 7.949 -0.555 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 54 10.130 -1.171 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.748 -3.567 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.483 -3.327 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.091 -1.108 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.448 -2.381 2.441 1.00 0.00 H new ATOM 695 N ASN A 55 9.446 -2.620 -2.753 1.00 0.00 N ATOM 696 CA ASN A 55 9.845 -3.416 -3.951 1.00 0.00 C ATOM 697 C ASN A 55 9.755 -4.907 -3.635 1.00 0.00 C ATOM 698 O ASN A 55 10.513 -5.708 -4.153 1.00 0.00 O ATOM 699 CB ASN A 55 11.272 -3.054 -4.372 1.00 0.00 C ATOM 700 CG ASN A 55 11.387 -1.536 -4.541 1.00 0.00 C ATOM 701 OD1 ASN A 55 12.446 -0.971 -4.349 1.00 0.00 O ATOM 702 ND2 ASN A 55 10.335 -0.847 -4.893 1.00 0.00 N ATOM 0 H ASN A 55 8.793 -1.859 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 55 9.167 -3.185 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.983 -3.402 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.524 -3.555 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.402 0.164 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.446 -1.320 -5.054 1.00 0.00 H new ATOM 709 N ASP A 56 8.827 -5.285 -2.791 1.00 0.00 N ATOM 710 CA ASP A 56 8.658 -6.725 -2.428 1.00 0.00 C ATOM 711 C ASP A 56 7.320 -7.230 -2.968 1.00 0.00 C ATOM 712 O ASP A 56 6.264 -6.843 -2.504 1.00 0.00 O ATOM 713 CB ASP A 56 8.687 -6.874 -0.907 1.00 0.00 C ATOM 714 CG ASP A 56 10.116 -6.654 -0.405 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.009 -6.591 -1.234 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.294 -6.555 0.797 1.00 0.00 O ATOM 0 H ASP A 56 8.173 -4.650 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 56 9.469 -7.309 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.012 -6.152 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.337 -7.866 -0.620 1.00 0.00 H new ATOM 721 N LYS A 57 7.362 -8.097 -3.941 1.00 0.00 N ATOM 722 CA LYS A 57 6.106 -8.646 -4.526 1.00 0.00 C ATOM 723 C LYS A 57 5.303 -9.363 -3.436 1.00 0.00 C ATOM 724 O LYS A 57 4.087 -9.388 -3.461 1.00 0.00 O ATOM 725 CB LYS A 57 6.463 -9.631 -5.641 1.00 0.00 C ATOM 726 CG LYS A 57 7.049 -8.870 -6.834 1.00 0.00 C ATOM 727 CD LYS A 57 7.397 -9.858 -7.953 1.00 0.00 C ATOM 728 CE LYS A 57 7.882 -9.090 -9.186 1.00 0.00 C ATOM 729 NZ LYS A 57 9.281 -8.625 -8.965 1.00 0.00 N ATOM 0 H LYS A 57 8.221 -8.452 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 57 5.504 -7.835 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.183 -10.364 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.575 -10.183 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.332 -8.133 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.941 -8.323 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.170 -10.548 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.523 -10.458 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.835 -9.730 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.230 -8.237 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.634 -8.163 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.301 -7.948 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.886 -9.440 -8.737 1.00 0.00 H new ATOM 743 N ASN A 58 5.974 -9.943 -2.481 1.00 0.00 N ATOM 744 CA ASN A 58 5.253 -10.652 -1.386 1.00 0.00 C ATOM 745 C ASN A 58 4.383 -9.649 -0.624 1.00 0.00 C ATOM 746 O ASN A 58 3.275 -9.947 -0.221 1.00 0.00 O ATOM 747 CB ASN A 58 6.271 -11.269 -0.422 1.00 0.00 C ATOM 748 CG ASN A 58 6.875 -12.530 -1.044 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.335 -13.079 -1.984 1.00 0.00 O ATOM 750 ND2 ASN A 58 7.983 -13.017 -0.551 1.00 0.00 N ATOM 0 H ASN A 58 6.991 -9.957 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 58 4.627 -11.438 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.058 -10.549 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.788 -11.514 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.395 -13.858 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.436 -12.556 0.238 1.00 0.00 H new ATOM 757 N LEU A 59 4.883 -8.462 -0.417 1.00 0.00 N ATOM 758 CA LEU A 59 4.096 -7.436 0.323 1.00 0.00 C ATOM 759 C LEU A 59 3.143 -6.746 -0.648 1.00 0.00 C ATOM 760 O LEU A 59 3.349 -5.608 -1.038 1.00 0.00 O ATOM 761 CB LEU A 59 5.055 -6.409 0.930 1.00 0.00 C ATOM 762 CG LEU A 59 6.066 -7.124 1.839 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.043 -6.098 2.428 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.327 -7.854 2.977 1.00 0.00 C ATOM 0 H LEU A 59 5.805 -8.158 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 59 3.522 -7.907 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.578 -5.872 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.496 -5.668 1.502 1.00 0.00 H new ATOM 0 HG LEU A 59 6.621 -7.855 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.760 -6.607 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.575 -5.596 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.490 -5.362 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.051 -8.358 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.763 -7.131 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.643 -8.590 2.554 1.00 0.00 H new ATOM 776 N SER A 60 2.104 -7.441 -1.050 1.00 0.00 N ATOM 777 CA SER A 60 1.119 -6.862 -2.012 1.00 0.00 C ATOM 778 C SER A 60 -0.167 -6.476 -1.287 1.00 0.00 C ATOM 779 O SER A 60 -0.463 -6.960 -0.211 1.00 0.00 O ATOM 780 CB SER A 60 0.798 -7.900 -3.087 1.00 0.00 C ATOM 781 OG SER A 60 1.902 -8.010 -3.975 1.00 0.00 O ATOM 0 H SER A 60 1.897 -8.393 -0.748 1.00 0.00 H new ATOM 0 HA SER A 60 1.550 -5.970 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.589 -8.865 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.098 -7.608 -3.636 1.00 0.00 H new ATOM 0 HG SER A 60 2.627 -8.503 -3.536 1.00 0.00 H new ATOM 787 N PHE A 61 -0.939 -5.608 -1.883 1.00 0.00 N ATOM 788 CA PHE A 61 -2.220 -5.182 -1.257 1.00 0.00 C ATOM 789 C PHE A 61 -3.236 -4.870 -2.351 1.00 0.00 C ATOM 790 O PHE A 61 -2.883 -4.438 -3.436 1.00 0.00 O ATOM 791 CB PHE A 61 -1.986 -3.932 -0.409 1.00 0.00 C ATOM 792 CG PHE A 61 -1.467 -2.811 -1.278 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.363 -1.935 -1.903 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.088 -2.640 -1.446 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.878 -0.888 -2.698 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.396 -1.593 -2.239 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.498 -0.717 -2.865 1.00 0.00 C ATOM 0 H PHE A 61 -0.734 -5.174 -2.783 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.599 -5.983 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.916 -3.630 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.271 -4.149 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.427 -2.066 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.603 -3.316 -0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.568 -0.213 -3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.460 -1.461 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.124 0.091 -3.477 1.00 0.00 H new ATOM 807 N THR A 62 -4.498 -5.083 -2.068 1.00 0.00 N ATOM 808 CA THR A 62 -5.572 -4.800 -3.068 1.00 0.00 C ATOM 809 C THR A 62 -6.636 -3.915 -2.418 1.00 0.00 C ATOM 810 O THR A 62 -7.089 -4.180 -1.320 1.00 0.00 O ATOM 811 CB THR A 62 -6.202 -6.117 -3.524 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.199 -6.933 -4.116 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.309 -5.837 -4.547 1.00 0.00 C ATOM 0 H THR A 62 -4.832 -5.445 -1.175 1.00 0.00 H new ATOM 0 HA THR A 62 -5.149 -4.288 -3.932 1.00 0.00 H new ATOM 0 HB THR A 62 -6.634 -6.631 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.480 -6.366 -4.464 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.754 -6.779 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.075 -5.210 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.886 -5.323 -5.410 1.00 0.00 H new ATOM 821 N ALA A 63 -7.034 -2.857 -3.085 1.00 0.00 N ATOM 822 CA ALA A 63 -8.067 -1.939 -2.509 1.00 0.00 C ATOM 823 C ALA A 63 -9.143 -1.653 -3.553 1.00 0.00 C ATOM 824 O ALA A 63 -8.861 -1.485 -4.725 1.00 0.00 O ATOM 825 CB ALA A 63 -7.399 -0.630 -2.088 1.00 0.00 C ATOM 0 H ALA A 63 -6.686 -2.590 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.529 -2.410 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.148 0.042 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.635 -0.836 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.938 -0.161 -2.957 1.00 0.00 H new ATOM 831 N GLY A 64 -10.386 -1.612 -3.134 1.00 0.00 N ATOM 832 CA GLY A 64 -11.499 -1.354 -4.099 1.00 0.00 C ATOM 833 C GLY A 64 -11.933 0.111 -4.031 1.00 0.00 C ATOM 834 O GLY A 64 -12.499 0.552 -3.055 1.00 0.00 O ATOM 0 H GLY A 64 -10.676 -1.746 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.176 -1.598 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.345 -2.002 -3.870 1.00 0.00 H new ATOM 838 N LYS A 65 -11.688 0.847 -5.084 1.00 0.00 N ATOM 839 CA LYS A 65 -12.089 2.291 -5.146 1.00 0.00 C ATOM 840 C LYS A 65 -11.902 2.993 -3.795 1.00 0.00 C ATOM 841 O LYS A 65 -10.921 3.674 -3.567 1.00 0.00 O ATOM 842 CB LYS A 65 -13.563 2.391 -5.557 1.00 0.00 C ATOM 843 CG LYS A 65 -13.944 3.861 -5.752 1.00 0.00 C ATOM 844 CD LYS A 65 -15.388 3.953 -6.250 1.00 0.00 C ATOM 845 CE LYS A 65 -15.761 5.420 -6.476 1.00 0.00 C ATOM 846 NZ LYS A 65 -15.668 6.162 -5.187 1.00 0.00 N ATOM 0 H LYS A 65 -11.218 0.504 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.449 2.783 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.732 1.836 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.195 1.939 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.837 4.403 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.270 4.330 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.500 3.392 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.064 3.504 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.094 5.866 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.772 5.491 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.513 6.756 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.606 5.485 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.820 6.764 -5.193 1.00 0.00 H new ATOM 860 N ASP A 66 -12.854 2.862 -2.914 1.00 0.00 N ATOM 861 CA ASP A 66 -12.758 3.541 -1.597 1.00 0.00 C ATOM 862 C ASP A 66 -11.816 2.769 -0.673 1.00 0.00 C ATOM 863 O ASP A 66 -11.991 1.585 -0.434 1.00 0.00 O ATOM 864 CB ASP A 66 -14.153 3.610 -0.977 1.00 0.00 C ATOM 865 CG ASP A 66 -14.993 4.644 -1.733 1.00 0.00 C ATOM 866 OD1 ASP A 66 -14.413 5.437 -2.458 1.00 0.00 O ATOM 867 OD2 ASP A 66 -16.202 4.626 -1.576 1.00 0.00 O ATOM 0 H ASP A 66 -13.700 2.309 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.362 4.547 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.632 2.632 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.082 3.882 0.076 1.00 0.00 H new ATOM 872 N VAL A 67 -10.822 3.441 -0.150 1.00 0.00 N ATOM 873 CA VAL A 67 -9.855 2.776 0.767 1.00 0.00 C ATOM 874 C VAL A 67 -10.606 2.239 1.990 1.00 0.00 C ATOM 875 O VAL A 67 -10.025 1.646 2.879 1.00 0.00 O ATOM 876 CB VAL A 67 -8.801 3.798 1.205 1.00 0.00 C ATOM 877 CG1 VAL A 67 -7.711 3.109 2.040 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.171 4.442 -0.036 1.00 0.00 C ATOM 0 H VAL A 67 -10.640 4.430 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.364 1.946 0.258 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.278 4.566 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.967 3.845 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.161 2.658 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.230 2.334 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.421 5.170 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.700 3.672 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.944 4.943 -0.618 1.00 0.00 H new ATOM 888 N LYS A 68 -11.897 2.435 2.033 1.00 0.00 N ATOM 889 CA LYS A 68 -12.700 1.930 3.180 1.00 0.00 C ATOM 890 C LYS A 68 -12.596 0.407 3.243 1.00 0.00 C ATOM 891 O LYS A 68 -12.447 -0.171 4.303 1.00 0.00 O ATOM 892 CB LYS A 68 -14.164 2.318 2.974 1.00 0.00 C ATOM 893 CG LYS A 68 -14.985 1.902 4.198 1.00 0.00 C ATOM 894 CD LYS A 68 -16.437 2.355 4.016 1.00 0.00 C ATOM 895 CE LYS A 68 -17.251 1.968 5.254 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.350 0.484 5.345 1.00 0.00 N ATOM 0 H LYS A 68 -12.431 2.927 1.317 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.324 2.363 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.247 3.393 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.556 1.834 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.944 0.820 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.564 2.347 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.476 3.434 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.865 1.892 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.778 2.366 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.248 2.406 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.120 0.227 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.546 0.091 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.453 0.097 5.702 1.00 0.00 H new ATOM 910 N ILE A 69 -12.675 -0.242 2.107 1.00 0.00 N ATOM 911 CA ILE A 69 -12.588 -1.735 2.073 1.00 0.00 C ATOM 912 C ILE A 69 -11.350 -2.153 1.281 1.00 0.00 C ATOM 913 O ILE A 69 -11.264 -1.953 0.077 1.00 0.00 O ATOM 914 CB ILE A 69 -13.844 -2.295 1.403 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.061 -1.979 2.280 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.705 -3.810 1.242 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.348 -2.302 1.520 1.00 0.00 C ATOM 0 H ILE A 69 -12.797 0.201 1.197 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.513 -2.125 3.088 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.972 -1.841 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.017 -2.560 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.051 -0.927 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.600 -4.209 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.835 -4.032 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.581 -4.270 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.209 -2.075 2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.394 -1.702 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -16.360 -3.360 1.257 1.00 0.00 H new ATOM 929 N PHE A 70 -10.386 -2.739 1.951 1.00 0.00 N ATOM 930 CA PHE A 70 -9.148 -3.182 1.251 1.00 0.00 C ATOM 931 C PHE A 70 -8.681 -4.517 1.817 1.00 0.00 C ATOM 932 O PHE A 70 -9.026 -4.893 2.921 1.00 0.00 O ATOM 933 CB PHE A 70 -8.044 -2.135 1.421 1.00 0.00 C ATOM 934 CG PHE A 70 -7.639 -2.039 2.873 1.00 0.00 C ATOM 935 CD1 PHE A 70 -6.609 -2.850 3.368 1.00 0.00 C ATOM 936 CD2 PHE A 70 -8.282 -1.130 3.722 1.00 0.00 C ATOM 937 CE1 PHE A 70 -6.224 -2.753 4.711 1.00 0.00 C ATOM 938 CE2 PHE A 70 -7.895 -1.032 5.065 1.00 0.00 C ATOM 939 CZ PHE A 70 -6.867 -1.844 5.558 1.00 0.00 C ATOM 0 H PHE A 70 -10.407 -2.928 2.953 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.367 -3.299 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.181 -2.403 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.394 -1.165 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.112 -3.550 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.076 -0.505 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.431 -3.379 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.390 -0.330 5.720 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.570 -1.769 6.594 1.00 0.00 H new ATOM 949 N SER A 71 -7.897 -5.237 1.054 1.00 0.00 N ATOM 950 CA SER A 71 -7.387 -6.564 1.510 1.00 0.00 C ATOM 951 C SER A 71 -5.862 -6.586 1.415 1.00 0.00 C ATOM 952 O SER A 71 -5.263 -5.856 0.649 1.00 0.00 O ATOM 953 CB SER A 71 -7.963 -7.657 0.616 1.00 0.00 C ATOM 954 OG SER A 71 -7.653 -8.926 1.174 1.00 0.00 O ATOM 0 H SER A 71 -7.586 -4.957 0.124 1.00 0.00 H new ATOM 0 HA SER A 71 -7.689 -6.735 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.043 -7.539 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.549 -7.577 -0.389 1.00 0.00 H new ATOM 0 HG SER A 71 -8.022 -9.633 0.604 1.00 0.00 H new ATOM 960 N SER A 72 -5.230 -7.426 2.190 1.00 0.00 N ATOM 961 CA SER A 72 -3.743 -7.509 2.158 1.00 0.00 C ATOM 962 C SER A 72 -3.300 -8.929 2.511 1.00 0.00 C ATOM 963 O SER A 72 -4.054 -9.712 3.056 1.00 0.00 O ATOM 964 CB SER A 72 -3.158 -6.526 3.171 1.00 0.00 C ATOM 965 OG SER A 72 -3.816 -6.693 4.419 1.00 0.00 O ATOM 0 H SER A 72 -5.683 -8.061 2.847 1.00 0.00 H new ATOM 0 HA SER A 72 -3.388 -7.258 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.088 -6.697 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.281 -5.503 2.816 1.00 0.00 H new ATOM 0 HG SER A 72 -3.442 -6.065 5.072 1.00 0.00 H new ATOM 971 N SER A 73 -2.083 -9.266 2.186 1.00 0.00 N ATOM 972 CA SER A 73 -1.576 -10.636 2.473 1.00 0.00 C ATOM 973 C SER A 73 -1.215 -10.784 3.953 1.00 0.00 C ATOM 974 O SER A 73 -1.188 -9.831 4.708 1.00 0.00 O ATOM 975 CB SER A 73 -0.335 -10.902 1.624 1.00 0.00 C ATOM 976 OG SER A 73 0.712 -10.035 2.040 1.00 0.00 O ATOM 0 H SER A 73 -1.413 -8.646 1.730 1.00 0.00 H new ATOM 0 HA SER A 73 -2.359 -11.354 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.025 -11.942 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.560 -10.740 0.570 1.00 0.00 H new ATOM 0 HG SER A 73 1.511 -10.204 1.498 1.00 0.00 H new ATOM 982 N GLU A 74 -0.936 -11.990 4.360 1.00 0.00 N ATOM 983 CA GLU A 74 -0.570 -12.253 5.777 1.00 0.00 C ATOM 984 C GLU A 74 0.769 -11.579 6.096 1.00 0.00 C ATOM 985 O GLU A 74 0.973 -11.059 7.178 1.00 0.00 O ATOM 986 CB GLU A 74 -0.438 -13.765 5.984 1.00 0.00 C ATOM 987 CG GLU A 74 -1.811 -14.446 5.836 1.00 0.00 C ATOM 988 CD GLU A 74 -2.130 -14.687 4.355 1.00 0.00 C ATOM 989 OE1 GLU A 74 -1.357 -14.252 3.520 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.146 -15.303 4.084 1.00 0.00 O ATOM 0 H GLU A 74 -0.947 -12.816 3.761 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.341 -11.853 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.261 -14.179 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.028 -13.969 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.814 -15.394 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.584 -13.822 6.284 1.00 0.00 H new ATOM 997 N GLU A 75 1.683 -11.592 5.164 1.00 0.00 N ATOM 998 CA GLU A 75 3.012 -10.961 5.404 1.00 0.00 C ATOM 999 C GLU A 75 2.837 -9.452 5.587 1.00 0.00 C ATOM 1000 O GLU A 75 3.480 -8.834 6.413 1.00 0.00 O ATOM 1001 CB GLU A 75 3.912 -11.221 4.195 1.00 0.00 C ATOM 1002 CG GLU A 75 4.160 -12.725 4.047 1.00 0.00 C ATOM 1003 CD GLU A 75 4.975 -13.232 5.237 1.00 0.00 C ATOM 1004 OE1 GLU A 75 5.613 -12.417 5.883 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.951 -14.427 5.481 1.00 0.00 O ATOM 0 H GLU A 75 1.566 -12.014 4.243 1.00 0.00 H new ATOM 0 HA GLU A 75 3.462 -11.385 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.445 -10.829 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.860 -10.697 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.210 -13.256 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.692 -12.926 3.117 1.00 0.00 H new ATOM 1012 N LEU A 76 1.978 -8.853 4.812 1.00 0.00 N ATOM 1013 CA LEU A 76 1.754 -7.384 4.930 1.00 0.00 C ATOM 1014 C LEU A 76 0.769 -7.112 6.072 1.00 0.00 C ATOM 1015 O LEU A 76 0.702 -6.023 6.606 1.00 0.00 O ATOM 1016 CB LEU A 76 1.186 -6.861 3.607 1.00 0.00 C ATOM 1017 CG LEU A 76 0.976 -5.342 3.672 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.314 -4.623 3.915 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.370 -4.870 2.346 1.00 0.00 C ATOM 0 H LEU A 76 1.418 -9.319 4.098 1.00 0.00 H new ATOM 0 HA LEU A 76 2.694 -6.876 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.867 -7.105 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.239 -7.356 3.391 1.00 0.00 H new ATOM 0 HG LEU A 76 0.304 -5.106 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.146 -3.547 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.743 -4.962 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.002 -4.850 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.216 -3.791 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.048 -5.114 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.586 -5.368 2.185 1.00 0.00 H new ATOM 1031 N ASP A 77 -0.008 -8.094 6.435 1.00 0.00 N ATOM 1032 CA ASP A 77 -1.000 -7.903 7.531 1.00 0.00 C ATOM 1033 C ASP A 77 -0.284 -7.688 8.871 1.00 0.00 C ATOM 1034 O ASP A 77 -0.606 -6.788 9.623 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.874 -9.153 7.627 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.910 -8.980 8.738 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.835 -7.988 9.444 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.761 -9.845 8.866 1.00 0.00 O ATOM 0 H ASP A 77 0.001 -9.025 6.018 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.610 -7.026 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.375 -9.331 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.254 -10.026 7.829 1.00 0.00 H new ATOM 1043 N LYS A 78 0.675 -8.522 9.178 1.00 0.00 N ATOM 1044 CA LYS A 78 1.400 -8.391 10.477 1.00 0.00 C ATOM 1045 C LYS A 78 2.175 -7.071 10.520 1.00 0.00 C ATOM 1046 O LYS A 78 2.498 -6.561 11.576 1.00 0.00 O ATOM 1047 CB LYS A 78 2.366 -9.573 10.638 1.00 0.00 C ATOM 1048 CG LYS A 78 3.456 -9.520 9.558 1.00 0.00 C ATOM 1049 CD LYS A 78 4.394 -10.720 9.718 1.00 0.00 C ATOM 1050 CE LYS A 78 5.672 -10.491 8.905 1.00 0.00 C ATOM 1051 NZ LYS A 78 5.344 -10.471 7.452 1.00 0.00 N ATOM 0 H LYS A 78 0.988 -9.290 8.584 1.00 0.00 H new ATOM 0 HA LYS A 78 0.679 -8.396 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.823 -9.546 11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.818 -10.512 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.002 -9.530 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.020 -8.591 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.642 -10.862 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.896 -11.630 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.136 -9.549 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.394 -11.280 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.122 -10.024 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.212 -11.445 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.468 -9.930 7.301 1.00 0.00 H new ATOM 1065 N MET A 79 2.479 -6.518 9.383 1.00 0.00 N ATOM 1066 CA MET A 79 3.236 -5.236 9.355 1.00 0.00 C ATOM 1067 C MET A 79 2.382 -4.123 9.972 1.00 0.00 C ATOM 1068 O MET A 79 2.888 -3.200 10.581 1.00 0.00 O ATOM 1069 CB MET A 79 3.567 -4.872 7.905 1.00 0.00 C ATOM 1070 CG MET A 79 4.710 -5.754 7.398 1.00 0.00 C ATOM 1071 SD MET A 79 5.060 -5.345 5.668 1.00 0.00 S ATOM 1072 CE MET A 79 5.641 -3.652 5.940 1.00 0.00 C ATOM 0 H MET A 79 2.236 -6.898 8.468 1.00 0.00 H new ATOM 0 HA MET A 79 4.158 -5.348 9.925 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.686 -5.005 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.849 -3.821 7.839 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.601 -5.601 8.007 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.440 -6.806 7.487 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.334 -3.373 5.146 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.790 -2.970 5.936 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.149 -3.592 6.902 1.00 0.00 H new ATOM 1082 N PHE A 80 1.094 -4.189 9.791 1.00 0.00 N ATOM 1083 CA PHE A 80 0.205 -3.124 10.332 1.00 0.00 C ATOM 1084 C PHE A 80 0.453 -2.931 11.831 1.00 0.00 C ATOM 1085 O PHE A 80 0.680 -3.869 12.570 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.262 -3.519 10.087 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.695 -3.049 8.712 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.952 -3.420 7.585 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.831 -2.241 8.567 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.343 -2.982 6.315 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.221 -1.806 7.295 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.477 -2.177 6.169 1.00 0.00 C ATOM 0 H PHE A 80 0.616 -4.938 9.290 1.00 0.00 H new ATOM 0 HA PHE A 80 0.421 -2.184 9.825 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.375 -4.600 10.165 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.901 -3.076 10.851 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.077 -4.044 7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.405 -1.954 9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.768 -3.266 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.096 -1.184 7.182 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.779 -1.842 5.188 1.00 0.00 H new ATOM 1102 N GLN A 81 0.412 -1.701 12.271 1.00 0.00 N ATOM 1103 CA GLN A 81 0.640 -1.403 13.708 1.00 0.00 C ATOM 1104 C GLN A 81 -0.667 -1.547 14.484 1.00 0.00 C ATOM 1105 O GLN A 81 -0.873 -2.512 15.194 1.00 0.00 O ATOM 1106 CB GLN A 81 1.138 0.035 13.847 1.00 0.00 C ATOM 1107 CG GLN A 81 1.510 0.311 15.305 1.00 0.00 C ATOM 1108 CD GLN A 81 1.993 1.754 15.449 1.00 0.00 C ATOM 1109 OE1 GLN A 81 1.256 2.685 15.186 1.00 0.00 O ATOM 1110 NE2 GLN A 81 3.209 1.981 15.862 1.00 0.00 N ATOM 0 H GLN A 81 0.228 -0.885 11.687 1.00 0.00 H new ATOM 0 HA GLN A 81 1.378 -2.100 14.105 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.004 0.194 13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.366 0.731 13.520 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.647 0.140 15.949 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.291 -0.378 15.628 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.827 1.200 16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.542 2.940 15.965 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.551 -0.585 14.360 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.842 -0.648 15.109 1.00 0.00 C ATOM 1121 C GLU A 82 -3.962 -1.144 14.179 1.00 0.00 C ATOM 1122 O GLU A 82 -3.894 -0.980 12.976 1.00 0.00 O ATOM 1123 CB GLU A 82 -3.182 0.756 15.635 1.00 0.00 C ATOM 1124 CG GLU A 82 -2.464 0.991 16.969 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.700 2.426 17.436 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -2.284 3.333 16.735 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -3.292 2.594 18.490 1.00 0.00 O ATOM 0 H GLU A 82 -1.432 0.240 13.772 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.749 -1.341 15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.879 1.511 14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.259 0.855 15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.831 0.290 17.719 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.396 0.807 16.855 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.996 -1.738 14.735 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.150 -2.260 13.946 1.00 0.00 C ATOM 1136 C PRO A 83 -6.580 -1.323 12.806 1.00 0.00 C ATOM 1137 O PRO A 83 -6.116 -0.203 12.688 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.266 -2.387 14.990 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.564 -2.645 16.288 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.174 -1.998 16.180 1.00 0.00 C ATOM 0 HA PRO A 83 -5.900 -3.196 13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.864 -1.477 15.040 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.946 -3.202 14.742 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.124 -2.220 17.121 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.478 -3.715 16.475 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.120 -1.076 16.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.397 -2.660 16.562 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.458 -1.791 11.960 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.921 -0.961 10.814 1.00 0.00 C ATOM 1150 C ARG A 84 -8.685 0.263 11.328 1.00 0.00 C ATOM 1151 O ARG A 84 -9.568 0.163 12.158 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.840 -1.806 9.929 1.00 0.00 C ATOM 1153 CG ARG A 84 -8.030 -2.946 9.306 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.935 -3.803 8.415 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.963 -4.490 9.250 1.00 0.00 N ATOM 1156 CZ ARG A 84 -9.681 -5.612 9.862 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -8.491 -6.140 9.758 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -10.596 -6.207 10.576 1.00 0.00 N ATOM 0 H ARG A 84 -7.876 -2.720 12.015 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.060 -0.622 10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.663 -2.209 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.281 -1.188 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.206 -2.540 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.589 -3.561 10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.421 -3.178 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.339 -4.540 7.877 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.893 -4.082 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.775 -5.678 9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.277 -7.015 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.527 -5.798 10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.381 -7.082 11.055 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.337 1.423 10.830 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.011 2.685 11.260 1.00 0.00 C ATOM 1174 C LYS A 85 -9.880 3.205 10.115 1.00 0.00 C ATOM 1175 O LYS A 85 -11.087 3.047 10.113 1.00 0.00 O ATOM 1176 CB LYS A 85 -7.934 3.726 11.586 1.00 0.00 C ATOM 1177 CG LYS A 85 -6.945 3.179 12.624 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.614 3.097 13.996 1.00 0.00 C ATOM 1179 CE LYS A 85 -6.586 2.669 15.039 1.00 0.00 C ATOM 1180 NZ LYS A 85 -7.251 2.588 16.368 1.00 0.00 N ATOM 0 H LYS A 85 -7.603 1.550 10.133 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.633 2.500 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.399 4.000 10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.402 4.634 11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.597 2.191 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.068 3.824 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.038 4.065 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.438 2.384 13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.159 1.703 14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.763 3.383 15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.557 2.297 17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.639 3.520 16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.022 1.891 16.329 1.00 0.00 H new ATOM 1194 N GLY A 86 -9.276 3.824 9.138 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.061 4.354 7.990 1.00 0.00 C ATOM 1196 C GLY A 86 -9.373 5.597 7.433 1.00 0.00 C ATOM 1197 O GLY A 86 -8.780 6.366 8.162 1.00 0.00 O ATOM 0 H GLY A 86 -8.270 3.985 9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.147 3.594 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.074 4.599 8.310 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.452 5.793 6.146 1.00 0.00 N ATOM 1202 CA TYR A 87 -8.812 6.982 5.510 1.00 0.00 C ATOM 1203 C TYR A 87 -9.417 8.266 6.095 1.00 0.00 C ATOM 1204 O TYR A 87 -8.718 9.208 6.436 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.076 6.921 4.003 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.512 8.150 3.331 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.126 8.299 3.213 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.370 9.135 2.824 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.596 9.433 2.591 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.839 10.269 2.201 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.451 10.420 2.085 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.926 11.539 1.474 1.00 0.00 O ATOM 0 H TYR A 87 -9.939 5.173 5.499 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.739 6.982 5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.621 6.025 3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.148 6.853 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.466 7.538 3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.440 9.019 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.526 9.548 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.499 11.029 1.809 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.655 12.123 1.179 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.714 8.310 6.216 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.372 9.520 6.782 1.00 0.00 C ATOM 1224 C ASP A 88 -11.088 9.595 8.287 1.00 0.00 C ATOM 1225 O ASP A 88 -11.087 10.660 8.876 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.880 9.428 6.550 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.186 9.600 5.061 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.304 10.036 4.339 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.299 9.291 4.667 1.00 0.00 O ATOM 0 H ASP A 88 -11.348 7.558 5.947 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.982 10.413 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.253 8.465 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.394 10.197 7.128 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.860 8.469 8.912 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.588 8.463 10.382 1.00 0.00 C ATOM 1236 C GLU A 89 -9.223 9.103 10.666 1.00 0.00 C ATOM 1237 O GLU A 89 -9.070 9.886 11.585 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.585 7.017 10.884 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.496 7.002 12.411 1.00 0.00 C ATOM 1240 CD GLU A 89 -10.711 5.577 12.928 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -10.737 4.668 12.115 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -10.851 5.419 14.130 1.00 0.00 O ATOM 0 H GLU A 89 -10.850 7.551 8.467 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.362 9.034 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.491 6.507 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.742 6.475 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.522 7.372 12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.246 7.670 12.835 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.232 8.774 9.883 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.875 9.359 10.097 1.00 0.00 C ATOM 1251 C ILE A 90 -6.898 10.856 9.769 1.00 0.00 C ATOM 1252 O ILE A 90 -6.245 11.651 10.417 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.853 8.630 9.213 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.346 8.609 7.766 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.681 7.196 9.717 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.260 8.042 6.850 1.00 0.00 C ATOM 0 H ILE A 90 -8.303 8.123 9.101 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.586 9.236 11.141 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.896 9.150 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.249 8.004 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.610 9.618 7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.956 6.675 9.092 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.326 7.213 10.747 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.638 6.677 9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.621 8.031 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.368 8.665 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.017 7.026 7.160 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.637 11.250 8.766 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.688 12.697 8.405 1.00 0.00 C ATOM 1270 C LEU A 91 -8.283 13.499 9.564 1.00 0.00 C ATOM 1271 O LEU A 91 -7.809 14.567 9.904 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.556 12.875 7.159 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.834 12.301 5.930 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.795 12.297 4.732 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.580 13.142 5.597 1.00 0.00 C ATOM 0 H LEU A 91 -8.205 10.635 8.183 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.679 13.057 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.513 12.371 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.772 13.932 7.004 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.517 11.281 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.286 11.890 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.664 11.681 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.118 13.316 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.081 12.721 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.877 14.169 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.897 13.129 6.447 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.314 12.994 10.176 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.932 13.720 11.315 1.00 0.00 C ATOM 1289 C GLU A 92 -8.961 13.723 12.496 1.00 0.00 C ATOM 1290 O GLU A 92 -8.848 14.692 13.225 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.222 13.006 11.718 1.00 0.00 C ATOM 1292 CG GLU A 92 -12.268 13.169 10.612 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.524 12.367 10.967 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.546 11.780 12.036 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -14.441 12.353 10.163 1.00 0.00 O ATOM 0 H GLU A 92 -9.756 12.107 9.935 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.155 14.747 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.025 11.948 11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.600 13.418 12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.520 14.222 10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.862 12.825 9.661 1.00 0.00 H new