USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 74:sc= 0.747 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.0344 X(o=0.71,f=0.75) USER MOD Set 2.1: A 14 GLN :FLIP amide:sc= -0.138 F(o=-1,f=-0.34) USER MOD Set 2.2: A 18 GLN :FLIP amide:sc= -0.205 X(o=-0.36,f=-0.34) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0609) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 27 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.31) USER MOD Single : A 30 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.25) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -140:sc= -1.14 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 75 N ARG A 5 -7.884 1.644 -1.945 1.00 0.00 N ATOM 76 CA ARG A 5 -8.917 1.860 -0.900 1.00 0.00 C ATOM 77 C ARG A 5 -8.293 2.489 0.358 1.00 0.00 C ATOM 78 O ARG A 5 -8.802 3.476 0.894 1.00 0.00 O ATOM 79 CB ARG A 5 -9.578 0.500 -0.530 1.00 0.00 C ATOM 80 CG ARG A 5 -10.230 -0.238 -1.718 1.00 0.00 C ATOM 81 CD ARG A 5 -11.587 0.352 -2.141 1.00 0.00 C ATOM 82 NE ARG A 5 -12.643 0.033 -1.165 1.00 0.00 N ATOM 83 CZ ARG A 5 -13.945 -0.114 -1.441 1.00 0.00 C ATOM 84 NH1 ARG A 5 -14.434 0.172 -2.637 1.00 0.00 N ATOM 85 NH2 ARG A 5 -14.756 -0.520 -0.492 1.00 0.00 N ATOM 0 HA ARG A 5 -9.672 2.541 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.822 -0.148 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.336 0.675 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.550 -0.210 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.366 -1.286 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.499 1.434 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.865 -0.038 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.357 -0.086 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.815 0.513 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.430 0.052 -2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.392 -0.719 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.750 -0.637 -0.686 1.00 0.00 H new ATOM 99 N LEU A 6 -7.167 1.898 0.794 1.00 0.00 N ATOM 100 CA LEU A 6 -6.418 2.346 1.981 1.00 0.00 C ATOM 101 C LEU A 6 -5.831 3.748 1.726 1.00 0.00 C ATOM 102 O LEU A 6 -5.857 4.600 2.605 1.00 0.00 O ATOM 103 CB LEU A 6 -5.310 1.284 2.321 1.00 0.00 C ATOM 104 CG LEU A 6 -4.510 1.407 3.679 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.429 2.518 3.658 1.00 0.00 C ATOM 106 CD2 LEU A 6 -5.470 1.572 4.878 1.00 0.00 C ATOM 0 H LEU A 6 -6.749 1.092 0.330 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.078 2.426 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.783 0.302 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.582 1.299 1.510 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.969 0.469 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.919 2.547 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.706 2.307 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.901 3.482 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.892 1.654 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.068 2.473 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.128 0.705 4.939 1.00 0.00 H new ATOM 118 N ASN A 7 -5.329 3.979 0.507 1.00 0.00 N ATOM 119 CA ASN A 7 -4.642 5.236 0.147 1.00 0.00 C ATOM 120 C ASN A 7 -5.606 6.444 0.185 1.00 0.00 C ATOM 121 O ASN A 7 -5.321 7.456 0.842 1.00 0.00 O ATOM 122 CB ASN A 7 -3.972 5.098 -1.249 1.00 0.00 C ATOM 123 CG ASN A 7 -2.924 3.980 -1.296 1.00 0.00 C ATOM 124 OD1 ASN A 7 -2.309 3.647 -0.285 1.00 0.00 O ATOM 125 ND2 ASN A 7 -2.709 3.400 -2.465 1.00 0.00 N ATOM 0 H ASN A 7 -5.384 3.307 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.866 5.423 0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.740 4.902 -1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.500 6.044 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.017 2.655 -2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.235 3.698 -3.287 1.00 0.00 H new ATOM 132 N GLU A 8 -6.768 6.295 -0.472 1.00 0.00 N ATOM 133 CA GLU A 8 -7.764 7.377 -0.612 1.00 0.00 C ATOM 134 C GLU A 8 -8.434 7.717 0.740 1.00 0.00 C ATOM 135 O GLU A 8 -8.707 8.895 1.027 1.00 0.00 O ATOM 136 CB GLU A 8 -8.808 7.001 -1.695 1.00 0.00 C ATOM 137 CG GLU A 8 -9.576 5.689 -1.430 1.00 0.00 C ATOM 138 CD GLU A 8 -10.434 5.244 -2.619 1.00 0.00 C ATOM 139 OE1 GLU A 8 -11.413 5.940 -2.941 1.00 0.00 O ATOM 140 OE2 GLU A 8 -10.116 4.219 -3.254 1.00 0.00 O ATOM 0 H GLU A 8 -7.046 5.423 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.247 8.280 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.528 7.815 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.300 6.920 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.863 4.900 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.215 5.819 -0.557 1.00 0.00 H new ATOM 147 N VAL A 9 -8.659 6.698 1.598 1.00 0.00 N ATOM 148 CA VAL A 9 -9.187 6.945 2.954 1.00 0.00 C ATOM 149 C VAL A 9 -8.113 7.650 3.829 1.00 0.00 C ATOM 150 O VAL A 9 -8.426 8.539 4.593 1.00 0.00 O ATOM 151 CB VAL A 9 -9.755 5.653 3.664 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.882 4.989 2.831 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.646 4.645 4.026 1.00 0.00 C ATOM 0 H VAL A 9 -8.487 5.716 1.381 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.045 7.607 2.837 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.196 5.984 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.247 4.104 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.701 5.696 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.491 4.700 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.089 3.775 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.130 4.331 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.934 5.115 4.704 1.00 0.00 H new ATOM 163 N ILE A 10 -6.829 7.294 3.668 1.00 0.00 N ATOM 164 CA ILE A 10 -5.716 7.986 4.379 1.00 0.00 C ATOM 165 C ILE A 10 -5.440 9.398 3.754 1.00 0.00 C ATOM 166 O ILE A 10 -4.667 10.199 4.293 1.00 0.00 O ATOM 167 CB ILE A 10 -4.432 7.044 4.434 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.755 5.751 5.258 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.160 7.733 5.007 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.104 5.990 6.722 1.00 0.00 C ATOM 0 H ILE A 10 -6.525 6.536 3.057 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.005 8.177 5.412 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.198 6.793 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.588 5.233 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.895 5.083 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.332 7.024 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.901 8.591 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.355 8.067 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.311 5.036 7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.266 6.476 7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.985 6.629 6.786 1.00 0.00 H new ATOM 182 N GLU A 11 -6.116 9.726 2.628 1.00 0.00 N ATOM 183 CA GLU A 11 -6.111 11.103 2.081 1.00 0.00 C ATOM 184 C GLU A 11 -7.037 12.035 2.906 1.00 0.00 C ATOM 185 O GLU A 11 -6.563 13.008 3.491 1.00 0.00 O ATOM 186 CB GLU A 11 -6.526 11.122 0.578 1.00 0.00 C ATOM 187 CG GLU A 11 -5.494 10.510 -0.392 1.00 0.00 C ATOM 188 CD GLU A 11 -4.161 11.270 -0.396 1.00 0.00 C ATOM 189 OE1 GLU A 11 -4.111 12.384 -0.960 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.162 10.778 0.174 1.00 0.00 O ATOM 0 H GLU A 11 -6.667 9.062 2.085 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.090 11.476 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.467 10.583 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.713 12.154 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.314 9.471 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.908 10.505 -1.400 1.00 0.00 H new ATOM 197 N LEU A 12 -8.350 11.715 2.979 1.00 0.00 N ATOM 198 CA LEU A 12 -9.371 12.633 3.612 1.00 0.00 C ATOM 199 C LEU A 12 -9.814 12.186 5.032 1.00 0.00 C ATOM 200 O LEU A 12 -10.131 13.022 5.887 1.00 0.00 O ATOM 201 CB LEU A 12 -10.629 12.878 2.673 1.00 0.00 C ATOM 202 CG LEU A 12 -11.151 11.721 1.730 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.274 11.568 0.463 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.312 10.377 2.470 1.00 0.00 C ATOM 0 H LEU A 12 -8.740 10.844 2.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.855 13.585 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.460 13.172 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.398 13.733 2.038 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.147 12.021 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.668 10.763 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.286 12.500 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.250 11.334 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.673 9.619 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.349 10.068 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.028 10.493 3.283 1.00 0.00 H new ATOM 216 N LEU A 13 -9.850 10.871 5.261 1.00 0.00 N ATOM 217 CA LEU A 13 -10.333 10.257 6.524 1.00 0.00 C ATOM 218 C LEU A 13 -9.215 10.167 7.576 1.00 0.00 C ATOM 219 O LEU A 13 -9.507 9.862 8.733 1.00 0.00 O ATOM 220 CB LEU A 13 -10.984 8.864 6.179 1.00 0.00 C ATOM 221 CG LEU A 13 -10.995 7.715 7.260 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.257 6.834 7.134 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.718 6.839 7.152 1.00 0.00 C ATOM 0 H LEU A 13 -9.543 10.184 4.572 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.095 10.887 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.019 9.051 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.474 8.476 5.297 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.009 8.191 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.233 6.053 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.146 7.449 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.285 6.378 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.750 6.054 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.670 6.387 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.836 7.460 7.311 1.00 0.00 H new ATOM 235 N GLN A 14 -7.957 10.509 7.181 1.00 0.00 N ATOM 236 CA GLN A 14 -6.743 10.341 8.024 1.00 0.00 C ATOM 237 C GLN A 14 -6.991 10.766 9.517 1.00 0.00 C ATOM 238 O GLN A 14 -6.850 9.907 10.390 1.00 0.00 O ATOM 239 CB GLN A 14 -5.510 11.105 7.413 1.00 0.00 C ATOM 240 CG GLN A 14 -4.158 10.356 7.454 1.00 0.00 C ATOM 241 CD GLN A 14 -3.764 9.762 8.814 1.00 0.00 C ATOM 242 OE1 GLN A 14 -4.145 8.509 9.056 1.00 0.00 O flip ATOM 243 NE2 GLN A 14 -3.131 10.417 9.643 1.00 0.00 N flip ATOM 0 H GLN A 14 -7.758 10.910 6.265 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.510 9.276 8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.737 11.347 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.395 12.050 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.189 9.549 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.373 11.044 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.852 11.375 9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.886 10.002 10.542 1.00 0.00 H new ATOM 252 N PRO A 15 -7.434 12.056 9.826 1.00 0.00 N ATOM 253 CA PRO A 15 -7.660 12.501 11.227 1.00 0.00 C ATOM 254 C PRO A 15 -8.766 11.677 11.925 1.00 0.00 C ATOM 255 O PRO A 15 -8.582 11.256 13.074 1.00 0.00 O ATOM 256 CB PRO A 15 -8.049 14.005 11.085 1.00 0.00 C ATOM 257 CG PRO A 15 -8.581 14.128 9.691 1.00 0.00 C ATOM 258 CD PRO A 15 -7.761 13.161 8.861 1.00 0.00 C ATOM 0 HA PRO A 15 -6.781 12.358 11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.799 14.292 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.187 14.654 11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.641 13.878 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.480 15.148 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.324 12.791 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.859 13.632 8.471 1.00 0.00 H new ATOM 266 N ALA A 16 -9.877 11.416 11.190 1.00 0.00 N ATOM 267 CA ALA A 16 -11.043 10.669 11.700 1.00 0.00 C ATOM 268 C ALA A 16 -10.636 9.266 12.208 1.00 0.00 C ATOM 269 O ALA A 16 -10.984 8.888 13.330 1.00 0.00 O ATOM 270 CB ALA A 16 -12.124 10.564 10.602 1.00 0.00 C ATOM 0 H ALA A 16 -9.984 11.722 10.223 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.455 11.215 12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.981 10.011 10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.440 11.564 10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.715 10.042 9.737 1.00 0.00 H new ATOM 276 N TRP A 17 -9.890 8.514 11.368 1.00 0.00 N ATOM 277 CA TRP A 17 -9.415 7.161 11.716 1.00 0.00 C ATOM 278 C TRP A 17 -8.316 7.208 12.789 1.00 0.00 C ATOM 279 O TRP A 17 -8.116 6.239 13.495 1.00 0.00 O ATOM 280 CB TRP A 17 -8.925 6.404 10.458 1.00 0.00 C ATOM 281 CG TRP A 17 -8.864 4.888 10.579 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.369 4.109 11.581 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.300 3.973 9.628 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.133 2.789 11.326 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.479 2.675 10.136 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.652 4.132 8.405 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -8.042 1.545 9.461 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -7.217 3.013 7.731 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.410 1.729 8.262 1.00 0.00 C ATOM 0 H TRP A 17 -9.604 8.826 10.440 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.261 6.615 12.133 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.582 6.657 9.626 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.931 6.769 10.201 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.883 4.485 12.453 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.403 2.012 11.930 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.493 5.117 7.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.195 0.556 9.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.720 3.125 6.779 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.053 0.870 7.714 1.00 0.00 H new ATOM 300 N GLN A 18 -7.597 8.334 12.910 1.00 0.00 N ATOM 301 CA GLN A 18 -6.579 8.495 13.987 1.00 0.00 C ATOM 302 C GLN A 18 -7.227 8.774 15.354 1.00 0.00 C ATOM 303 O GLN A 18 -6.563 8.664 16.389 1.00 0.00 O ATOM 304 CB GLN A 18 -5.514 9.563 13.632 1.00 0.00 C ATOM 305 CG GLN A 18 -4.620 9.196 12.426 1.00 0.00 C ATOM 306 CD GLN A 18 -4.011 7.794 12.492 1.00 0.00 C ATOM 307 OE1 GLN A 18 -4.701 6.801 11.936 1.00 0.00 O flip ATOM 308 NE2 GLN A 18 -2.930 7.601 13.032 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.690 9.140 12.292 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.058 7.541 14.066 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.019 10.506 13.421 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.879 9.729 14.502 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.210 9.280 11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.814 9.926 12.352 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.422 8.381 13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.536 6.661 13.064 1.00 0.00 H new ATOM 317 N LYS A 19 -8.523 9.124 15.356 1.00 0.00 N ATOM 318 CA LYS A 19 -9.308 9.239 16.605 1.00 0.00 C ATOM 319 C LYS A 19 -9.750 7.847 17.108 1.00 0.00 C ATOM 320 O LYS A 19 -10.038 7.681 18.299 1.00 0.00 O ATOM 321 CB LYS A 19 -10.541 10.162 16.407 1.00 0.00 C ATOM 322 CG LYS A 19 -10.217 11.550 15.803 1.00 0.00 C ATOM 323 CD LYS A 19 -9.060 12.288 16.527 1.00 0.00 C ATOM 324 CE LYS A 19 -8.783 13.677 15.931 1.00 0.00 C ATOM 325 NZ LYS A 19 -9.927 14.608 16.120 1.00 0.00 N ATOM 0 H LYS A 19 -9.053 9.333 14.510 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.665 9.689 17.361 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.256 9.656 15.759 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.030 10.305 17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.957 11.428 14.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.112 12.171 15.840 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.305 12.392 17.584 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.155 11.684 16.468 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.893 14.099 16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.570 13.578 14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.653 15.562 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.738 14.281 15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.192 14.633 17.125 1.00 0.00 H new ATOM 339 N GLU A 20 -9.785 6.852 16.192 1.00 0.00 N ATOM 340 CA GLU A 20 -10.214 5.475 16.510 1.00 0.00 C ATOM 341 C GLU A 20 -9.532 4.471 15.529 1.00 0.00 C ATOM 342 O GLU A 20 -10.188 3.894 14.651 1.00 0.00 O ATOM 343 CB GLU A 20 -11.770 5.402 16.467 1.00 0.00 C ATOM 344 CG GLU A 20 -12.385 4.045 16.860 1.00 0.00 C ATOM 345 CD GLU A 20 -13.922 4.064 16.826 1.00 0.00 C ATOM 346 OE1 GLU A 20 -14.512 3.925 15.726 1.00 0.00 O ATOM 347 OE2 GLU A 20 -14.548 4.252 17.893 1.00 0.00 O ATOM 0 H GLU A 20 -9.517 6.982 15.216 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.901 5.195 17.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.170 6.168 17.132 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.100 5.651 15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.019 3.274 16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.050 3.774 17.861 1.00 0.00 H new ATOM 354 N PRO A 21 -8.164 4.276 15.637 1.00 0.00 N ATOM 355 CA PRO A 21 -7.391 3.405 14.710 1.00 0.00 C ATOM 356 C PRO A 21 -7.503 1.902 15.036 1.00 0.00 C ATOM 357 O PRO A 21 -6.995 1.070 14.273 1.00 0.00 O ATOM 358 CB PRO A 21 -5.916 3.923 14.853 1.00 0.00 C ATOM 359 CG PRO A 21 -5.966 5.058 15.852 1.00 0.00 C ATOM 360 CD PRO A 21 -7.249 4.885 16.639 1.00 0.00 C ATOM 0 HA PRO A 21 -7.774 3.471 13.691 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.255 3.128 15.199 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.528 4.265 13.893 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.099 5.031 16.513 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.950 6.022 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.109 4.239 17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.629 5.837 17.009 1.00 0.00 H new ATOM 368 N ASP A 22 -8.169 1.569 16.164 1.00 0.00 N ATOM 369 CA ASP A 22 -8.325 0.176 16.638 1.00 0.00 C ATOM 370 C ASP A 22 -9.188 -0.654 15.676 1.00 0.00 C ATOM 371 O ASP A 22 -8.922 -1.837 15.444 1.00 0.00 O ATOM 372 CB ASP A 22 -8.934 0.166 18.062 1.00 0.00 C ATOM 373 CG ASP A 22 -9.024 -1.235 18.698 1.00 0.00 C ATOM 374 OD1 ASP A 22 -7.974 -1.910 18.810 1.00 0.00 O ATOM 375 OD2 ASP A 22 -10.134 -1.673 19.079 1.00 0.00 O ATOM 0 H ASP A 22 -8.613 2.258 16.771 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.337 -0.283 16.670 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.334 0.808 18.707 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.933 0.600 18.021 1.00 0.00 H new ATOM 380 N PHE A 23 -10.225 -0.012 15.127 1.00 0.00 N ATOM 381 CA PHE A 23 -11.086 -0.617 14.106 1.00 0.00 C ATOM 382 C PHE A 23 -10.313 -0.751 12.783 1.00 0.00 C ATOM 383 O PHE A 23 -9.491 0.109 12.447 1.00 0.00 O ATOM 384 CB PHE A 23 -12.386 0.211 13.930 1.00 0.00 C ATOM 385 CG PHE A 23 -13.382 0.060 15.091 1.00 0.00 C ATOM 386 CD1 PHE A 23 -13.069 0.514 16.376 1.00 0.00 C ATOM 387 CD2 PHE A 23 -14.624 -0.551 14.900 1.00 0.00 C ATOM 388 CE1 PHE A 23 -13.963 0.368 17.424 1.00 0.00 C ATOM 389 CE2 PHE A 23 -15.516 -0.696 15.950 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.186 -0.235 17.210 1.00 0.00 C ATOM 0 H PHE A 23 -10.490 0.940 15.378 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.379 -1.616 14.428 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.123 1.264 13.824 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.875 -0.090 13.003 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.114 0.986 16.554 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.893 -0.916 13.919 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.703 0.726 18.409 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -16.472 -1.171 15.783 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.884 -0.346 18.026 1.00 0.00 H new ATOM 400 N ASN A 24 -10.568 -1.859 12.060 1.00 0.00 N ATOM 401 CA ASN A 24 -9.921 -2.164 10.760 1.00 0.00 C ATOM 402 C ASN A 24 -10.439 -1.224 9.647 1.00 0.00 C ATOM 403 O ASN A 24 -11.192 -0.284 9.926 1.00 0.00 O ATOM 404 CB ASN A 24 -10.170 -3.652 10.372 1.00 0.00 C ATOM 405 CG ASN A 24 -9.651 -4.664 11.402 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.672 -4.411 12.107 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.295 -5.822 11.488 1.00 0.00 N ATOM 0 H ASN A 24 -11.231 -2.574 12.359 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.849 -2.001 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.240 -3.806 10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.694 -3.850 9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.983 -6.531 12.151 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.102 -6.002 10.891 1.00 0.00 H new ATOM 414 N LEU A 25 -10.034 -1.495 8.387 1.00 0.00 N ATOM 415 CA LEU A 25 -10.415 -0.676 7.222 1.00 0.00 C ATOM 416 C LEU A 25 -11.951 -0.685 7.056 1.00 0.00 C ATOM 417 O LEU A 25 -12.591 0.349 7.189 1.00 0.00 O ATOM 418 CB LEU A 25 -9.651 -1.194 5.951 1.00 0.00 C ATOM 419 CG LEU A 25 -9.626 -0.272 4.665 1.00 0.00 C ATOM 420 CD1 LEU A 25 -10.907 -0.382 3.810 1.00 0.00 C ATOM 421 CD2 LEU A 25 -9.335 1.201 5.034 1.00 0.00 C ATOM 0 H LEU A 25 -9.435 -2.287 8.152 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.124 0.364 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.618 -1.390 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.089 -2.151 5.666 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.809 -0.644 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.824 0.275 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.033 -1.411 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.770 -0.088 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.325 1.808 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.110 1.567 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.365 1.268 5.527 1.00 0.00 H new ATOM 433 N LEU A 26 -12.536 -1.874 6.873 1.00 0.00 N ATOM 434 CA LEU A 26 -13.999 -2.040 6.729 1.00 0.00 C ATOM 435 C LEU A 26 -14.746 -1.843 8.065 1.00 0.00 C ATOM 436 O LEU A 26 -15.922 -1.501 8.042 1.00 0.00 O ATOM 437 CB LEU A 26 -14.380 -3.424 6.093 1.00 0.00 C ATOM 438 CG LEU A 26 -14.387 -3.503 4.529 1.00 0.00 C ATOM 439 CD1 LEU A 26 -15.303 -2.411 3.915 1.00 0.00 C ATOM 440 CD2 LEU A 26 -12.964 -3.456 3.948 1.00 0.00 C ATOM 0 H LEU A 26 -12.016 -2.750 6.820 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.320 -1.254 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.683 -4.174 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.371 -3.702 6.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.806 -4.470 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.287 -2.492 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.323 -2.548 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.943 -1.426 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.013 -3.513 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.482 -2.523 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.387 -4.298 4.330 1.00 0.00 H new ATOM 452 N GLN A 27 -14.072 -2.060 9.213 1.00 0.00 N ATOM 453 CA GLN A 27 -14.724 -1.975 10.546 1.00 0.00 C ATOM 454 C GLN A 27 -14.998 -0.509 10.952 1.00 0.00 C ATOM 455 O GLN A 27 -16.083 -0.186 11.455 1.00 0.00 O ATOM 456 CB GLN A 27 -13.872 -2.700 11.620 1.00 0.00 C ATOM 457 CG GLN A 27 -13.694 -4.218 11.379 1.00 0.00 C ATOM 458 CD GLN A 27 -15.004 -5.018 11.394 1.00 0.00 C ATOM 459 OE1 GLN A 27 -15.965 -4.662 12.079 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.048 -6.115 10.648 1.00 0.00 N ATOM 0 H GLN A 27 -13.080 -2.295 9.249 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.688 -2.479 10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.888 -2.233 11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.336 -2.551 12.595 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.203 -4.366 10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.028 -4.620 12.143 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.238 -6.386 10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.892 -6.687 10.632 1.00 0.00 H new ATOM 469 N PHE A 28 -14.013 0.373 10.726 1.00 0.00 N ATOM 470 CA PHE A 28 -14.164 1.821 10.988 1.00 0.00 C ATOM 471 C PHE A 28 -15.139 2.439 9.970 1.00 0.00 C ATOM 472 O PHE A 28 -15.973 3.289 10.315 1.00 0.00 O ATOM 473 CB PHE A 28 -12.789 2.539 10.925 1.00 0.00 C ATOM 474 CG PHE A 28 -12.859 4.025 11.302 1.00 0.00 C ATOM 475 CD1 PHE A 28 -12.841 4.419 12.639 1.00 0.00 C ATOM 476 CD2 PHE A 28 -12.972 5.018 10.326 1.00 0.00 C ATOM 477 CE1 PHE A 28 -12.935 5.753 12.984 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.064 6.352 10.678 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.048 6.716 12.005 1.00 0.00 C ATOM 0 H PHE A 28 -13.097 0.112 10.361 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.568 1.952 11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.093 2.034 11.595 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.385 2.446 9.917 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -12.753 3.672 13.414 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.988 4.740 9.282 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.920 6.042 14.024 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.148 7.108 9.912 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.124 7.758 12.279 1.00 0.00 H new ATOM 489 N LEU A 29 -15.002 1.984 8.718 1.00 0.00 N ATOM 490 CA LEU A 29 -15.831 2.424 7.591 1.00 0.00 C ATOM 491 C LEU A 29 -17.312 2.074 7.806 1.00 0.00 C ATOM 492 O LEU A 29 -18.171 2.910 7.544 1.00 0.00 O ATOM 493 CB LEU A 29 -15.290 1.828 6.256 1.00 0.00 C ATOM 494 CG LEU A 29 -14.280 2.728 5.463 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.110 3.258 6.333 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.768 1.986 4.203 1.00 0.00 C ATOM 0 H LEU A 29 -14.302 1.290 8.457 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.770 3.511 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.804 0.877 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.139 1.610 5.608 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.829 3.615 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.451 3.873 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.508 3.857 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.548 2.417 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.068 2.625 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.264 1.067 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.611 1.744 3.556 1.00 0.00 H new ATOM 508 N GLN A 30 -17.599 0.847 8.295 1.00 0.00 N ATOM 509 CA GLN A 30 -18.975 0.386 8.547 1.00 0.00 C ATOM 510 C GLN A 30 -19.584 1.154 9.720 1.00 0.00 C ATOM 511 O GLN A 30 -20.790 1.364 9.748 1.00 0.00 O ATOM 512 CB GLN A 30 -19.017 -1.156 8.788 1.00 0.00 C ATOM 513 CG GLN A 30 -18.650 -1.647 10.216 1.00 0.00 C ATOM 514 CD GLN A 30 -19.863 -1.848 11.138 1.00 0.00 C ATOM 515 OE1 GLN A 30 -20.903 -2.346 10.723 1.00 0.00 O ATOM 516 NE2 GLN A 30 -19.774 -1.359 12.353 1.00 0.00 N ATOM 0 H GLN A 30 -16.885 0.155 8.524 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.576 0.589 7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.021 -1.510 8.553 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.338 -1.630 8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.106 -2.589 10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.973 -0.926 10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.897 -0.950 12.675 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.582 -1.388 12.975 1.00 0.00 H new ATOM 525 N LYS A 31 -18.741 1.557 10.695 1.00 0.00 N ATOM 526 CA LYS A 31 -19.200 2.389 11.810 1.00 0.00 C ATOM 527 C LYS A 31 -19.748 3.721 11.282 1.00 0.00 C ATOM 528 O LYS A 31 -20.946 3.973 11.404 1.00 0.00 O ATOM 529 CB LYS A 31 -18.067 2.619 12.860 1.00 0.00 C ATOM 530 CG LYS A 31 -17.799 1.423 13.808 1.00 0.00 C ATOM 531 CD LYS A 31 -19.059 0.998 14.610 1.00 0.00 C ATOM 532 CE LYS A 31 -19.695 2.149 15.423 1.00 0.00 C ATOM 533 NZ LYS A 31 -20.979 1.755 16.042 1.00 0.00 N ATOM 0 H LYS A 31 -17.750 1.319 10.726 1.00 0.00 H new ATOM 0 HA LYS A 31 -20.005 1.861 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.145 2.857 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.322 3.491 13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.442 0.575 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.003 1.688 14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.802 0.600 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.791 0.190 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.002 2.468 16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.857 3.006 14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.368 2.558 16.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.651 1.476 15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.822 0.954 16.686 1.00 0.00 H new ATOM 547 N LEU A 32 -18.894 4.495 10.578 1.00 0.00 N ATOM 548 CA LEU A 32 -19.245 5.855 10.120 1.00 0.00 C ATOM 549 C LEU A 32 -20.374 5.802 9.059 1.00 0.00 C ATOM 550 O LEU A 32 -21.211 6.708 8.996 1.00 0.00 O ATOM 551 CB LEU A 32 -17.967 6.614 9.607 1.00 0.00 C ATOM 552 CG LEU A 32 -17.416 6.270 8.161 1.00 0.00 C ATOM 553 CD1 LEU A 32 -18.042 7.168 7.054 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.870 6.339 8.112 1.00 0.00 C ATOM 0 H LEU A 32 -17.954 4.199 10.314 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.633 6.424 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.182 7.682 9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.164 6.431 10.321 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.720 5.244 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.630 6.890 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.123 7.030 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.812 8.213 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.527 6.098 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.542 7.345 8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.451 5.624 8.820 1.00 0.00 H new ATOM 566 N ALA A 33 -20.400 4.709 8.261 1.00 0.00 N ATOM 567 CA ALA A 33 -21.401 4.498 7.196 1.00 0.00 C ATOM 568 C ALA A 33 -22.795 4.235 7.787 1.00 0.00 C ATOM 569 O ALA A 33 -23.776 4.842 7.353 1.00 0.00 O ATOM 570 CB ALA A 33 -20.978 3.346 6.265 1.00 0.00 C ATOM 0 H ALA A 33 -19.725 3.949 8.340 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.454 5.412 6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.731 3.210 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.020 3.585 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.883 2.427 6.843 1.00 0.00 H new ATOM 576 N LYS A 34 -22.874 3.320 8.773 1.00 0.00 N ATOM 577 CA LYS A 34 -24.144 3.012 9.467 1.00 0.00 C ATOM 578 C LYS A 34 -24.655 4.218 10.294 1.00 0.00 C ATOM 579 O LYS A 34 -25.871 4.362 10.465 1.00 0.00 O ATOM 580 CB LYS A 34 -24.010 1.750 10.353 1.00 0.00 C ATOM 581 CG LYS A 34 -23.749 0.446 9.565 1.00 0.00 C ATOM 582 CD LYS A 34 -23.708 -0.807 10.477 1.00 0.00 C ATOM 583 CE LYS A 34 -25.083 -1.152 11.076 1.00 0.00 C ATOM 584 NZ LYS A 34 -26.083 -1.442 10.021 1.00 0.00 N ATOM 0 H LYS A 34 -22.075 2.781 9.108 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.887 2.805 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.196 1.902 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -24.923 1.632 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.529 0.318 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.803 0.532 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.343 -1.658 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -22.996 -0.640 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -24.987 -2.016 11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -25.432 -0.321 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.923 -1.879 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -26.356 -0.557 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -25.672 -2.094 9.323 1.00 0.00 H new ATOM 598 N GLU A 35 -23.731 5.086 10.786 1.00 0.00 N ATOM 599 CA GLU A 35 -24.121 6.357 11.454 1.00 0.00 C ATOM 600 C GLU A 35 -24.665 7.362 10.407 1.00 0.00 C ATOM 601 O GLU A 35 -25.472 8.228 10.732 1.00 0.00 O ATOM 602 CB GLU A 35 -22.947 6.996 12.258 1.00 0.00 C ATOM 603 CG GLU A 35 -22.258 6.071 13.295 1.00 0.00 C ATOM 604 CD GLU A 35 -23.232 5.281 14.195 1.00 0.00 C ATOM 605 OE1 GLU A 35 -23.757 5.857 15.170 1.00 0.00 O ATOM 606 OE2 GLU A 35 -23.468 4.072 13.934 1.00 0.00 O ATOM 0 H GLU A 35 -22.724 4.932 10.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -24.904 6.116 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.193 7.343 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.324 7.876 12.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.619 5.365 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.608 6.676 13.928 1.00 0.00 H new ATOM 613 N SER A 36 -24.204 7.231 9.147 1.00 0.00 N ATOM 614 CA SER A 36 -24.733 8.014 7.998 1.00 0.00 C ATOM 615 C SER A 36 -26.073 7.430 7.477 1.00 0.00 C ATOM 616 O SER A 36 -26.726 8.038 6.620 1.00 0.00 O ATOM 617 CB SER A 36 -23.687 8.052 6.857 1.00 0.00 C ATOM 618 OG SER A 36 -22.478 8.663 7.277 1.00 0.00 O ATOM 0 H SER A 36 -23.458 6.584 8.892 1.00 0.00 H new ATOM 0 HA SER A 36 -24.927 9.029 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.483 7.037 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 36 -24.095 8.598 6.007 1.00 0.00 H new ATOM 0 HG SER A 36 -21.992 8.053 7.870 1.00 0.00 H new ATOM 624 N GLY A 37 -26.462 6.249 8.000 1.00 0.00 N ATOM 625 CA GLY A 37 -27.712 5.582 7.623 1.00 0.00 C ATOM 626 C GLY A 37 -27.601 4.817 6.304 1.00 0.00 C ATOM 627 O GLY A 37 -28.516 4.865 5.470 1.00 0.00 O ATOM 0 H GLY A 37 -25.916 5.737 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.003 4.892 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.505 6.326 7.541 1.00 0.00 H new ATOM 631 N PHE A 38 -26.463 4.121 6.121 1.00 0.00 N ATOM 632 CA PHE A 38 -26.166 3.329 4.909 1.00 0.00 C ATOM 633 C PHE A 38 -27.177 2.165 4.755 1.00 0.00 C ATOM 634 O PHE A 38 -27.360 1.370 5.677 1.00 0.00 O ATOM 635 CB PHE A 38 -24.708 2.808 4.983 1.00 0.00 C ATOM 636 CG PHE A 38 -24.219 2.034 3.752 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.548 2.448 2.454 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.425 0.898 3.894 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.102 1.746 1.349 1.00 0.00 C ATOM 640 CE2 PHE A 38 -22.980 0.204 2.788 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.318 0.625 1.518 1.00 0.00 C ATOM 0 H PHE A 38 -25.716 4.091 6.815 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.266 3.962 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.045 3.658 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.615 2.163 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -25.159 3.328 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.155 0.557 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.368 2.076 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.364 -0.674 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 38 -22.968 0.076 0.656 1.00 0.00 H new ATOM 651 N ASP A 39 -27.829 2.099 3.580 1.00 0.00 N ATOM 652 CA ASP A 39 -28.893 1.114 3.286 1.00 0.00 C ATOM 653 C ASP A 39 -28.311 -0.264 2.946 1.00 0.00 C ATOM 654 O ASP A 39 -28.914 -1.291 3.275 1.00 0.00 O ATOM 655 CB ASP A 39 -29.777 1.618 2.115 1.00 0.00 C ATOM 656 CG ASP A 39 -30.566 2.888 2.480 1.00 0.00 C ATOM 657 OD1 ASP A 39 -29.996 3.999 2.403 1.00 0.00 O ATOM 658 OD2 ASP A 39 -31.751 2.775 2.867 1.00 0.00 O ATOM 0 H ASP A 39 -27.634 2.729 2.802 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.503 1.007 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -29.147 1.821 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.474 0.832 1.825 1.00 0.00 H new ATOM 663 N GLY A 40 -27.150 -0.273 2.269 1.00 0.00 N ATOM 664 CA GLY A 40 -26.473 -1.520 1.894 1.00 0.00 C ATOM 665 C GLY A 40 -25.628 -2.091 3.027 1.00 0.00 C ATOM 666 O GLY A 40 -25.643 -1.564 4.153 1.00 0.00 O ATOM 0 H GLY A 40 -26.663 0.572 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.217 -2.257 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -25.837 -1.338 1.028 1.00 0.00 H new ATOM 670 N GLU A 41 -24.883 -3.167 2.734 1.00 0.00 N ATOM 671 CA GLU A 41 -23.939 -3.774 3.694 1.00 0.00 C ATOM 672 C GLU A 41 -22.515 -3.262 3.408 1.00 0.00 C ATOM 673 O GLU A 41 -22.231 -2.809 2.290 1.00 0.00 O ATOM 674 CB GLU A 41 -23.992 -5.322 3.620 1.00 0.00 C ATOM 675 CG GLU A 41 -23.409 -5.957 2.341 1.00 0.00 C ATOM 676 CD GLU A 41 -23.473 -7.493 2.377 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.752 -8.099 3.200 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.250 -8.097 1.606 1.00 0.00 O ATOM 0 H GLU A 41 -24.915 -3.641 1.832 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.226 -3.483 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -23.456 -5.726 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.032 -5.635 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.958 -5.592 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.373 -5.640 2.219 1.00 0.00 H new ATOM 685 N LEU A 42 -21.621 -3.341 4.416 1.00 0.00 N ATOM 686 CA LEU A 42 -20.232 -2.833 4.293 1.00 0.00 C ATOM 687 C LEU A 42 -19.388 -3.660 3.302 1.00 0.00 C ATOM 688 O LEU A 42 -18.380 -3.170 2.791 1.00 0.00 O ATOM 689 CB LEU A 42 -19.513 -2.771 5.657 1.00 0.00 C ATOM 690 CG LEU A 42 -19.325 -4.137 6.420 1.00 0.00 C ATOM 691 CD1 LEU A 42 -17.955 -4.190 7.132 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.482 -4.398 7.420 1.00 0.00 C ATOM 0 H LEU A 42 -21.833 -3.751 5.325 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.325 -1.820 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.529 -2.329 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.069 -2.093 6.305 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.351 -4.933 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -17.851 -5.143 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.158 -4.089 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -17.888 -3.375 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.317 -5.349 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.514 -3.595 8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.428 -4.434 6.880 1.00 0.00 H new ATOM 704 N ALA A 43 -19.813 -4.902 3.027 1.00 0.00 N ATOM 705 CA ALA A 43 -19.177 -5.762 2.005 1.00 0.00 C ATOM 706 C ALA A 43 -19.476 -5.259 0.572 1.00 0.00 C ATOM 707 O ALA A 43 -18.858 -5.715 -0.389 1.00 0.00 O ATOM 708 CB ALA A 43 -19.640 -7.215 2.190 1.00 0.00 C ATOM 0 H ALA A 43 -20.602 -5.341 3.501 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.096 -5.716 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.170 -7.846 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.356 -7.564 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.723 -7.268 2.083 1.00 0.00 H new ATOM 714 N ASP A 44 -20.438 -4.323 0.448 1.00 0.00 N ATOM 715 CA ASP A 44 -20.796 -3.662 -0.828 1.00 0.00 C ATOM 716 C ASP A 44 -20.504 -2.138 -0.754 1.00 0.00 C ATOM 717 O ASP A 44 -20.697 -1.412 -1.738 1.00 0.00 O ATOM 718 CB ASP A 44 -22.298 -3.924 -1.133 1.00 0.00 C ATOM 719 CG ASP A 44 -22.720 -3.526 -2.563 1.00 0.00 C ATOM 720 OD1 ASP A 44 -22.404 -4.283 -3.510 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.348 -2.455 -2.755 1.00 0.00 O ATOM 0 H ASP A 44 -20.996 -4.000 1.238 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.190 -4.076 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.511 -4.982 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -22.907 -3.371 -0.417 1.00 0.00 H new ATOM 726 N LEU A 45 -20.029 -1.669 0.423 1.00 0.00 N ATOM 727 CA LEU A 45 -19.733 -0.242 0.677 1.00 0.00 C ATOM 728 C LEU A 45 -18.651 0.273 -0.298 1.00 0.00 C ATOM 729 O LEU A 45 -17.482 -0.103 -0.185 1.00 0.00 O ATOM 730 CB LEU A 45 -19.276 -0.069 2.152 1.00 0.00 C ATOM 731 CG LEU A 45 -18.939 1.375 2.635 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.137 2.354 2.489 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.402 1.346 4.086 1.00 0.00 C ATOM 0 H LEU A 45 -19.840 -2.272 1.224 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.634 0.348 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -20.061 -0.465 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.394 -0.690 2.306 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.156 1.760 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.844 3.343 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.432 2.414 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.977 1.992 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.171 2.361 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -19.158 0.918 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.498 0.738 4.127 1.00 0.00 H new ATOM 745 N THR A 46 -19.069 1.097 -1.275 1.00 0.00 N ATOM 746 CA THR A 46 -18.168 1.662 -2.292 1.00 0.00 C ATOM 747 C THR A 46 -17.312 2.781 -1.679 1.00 0.00 C ATOM 748 O THR A 46 -17.824 3.588 -0.897 1.00 0.00 O ATOM 749 CB THR A 46 -18.973 2.199 -3.528 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.983 3.114 -3.091 1.00 0.00 O ATOM 751 CG2 THR A 46 -19.633 1.056 -4.326 1.00 0.00 C ATOM 0 H THR A 46 -20.041 1.389 -1.381 1.00 0.00 H new ATOM 0 HA THR A 46 -17.510 0.867 -2.643 1.00 0.00 H new ATOM 0 HB THR A 46 -18.265 2.705 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.481 3.447 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.180 1.472 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.864 0.375 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.323 0.512 -3.680 1.00 0.00 H new ATOM 759 N ASP A 47 -16.005 2.798 -2.034 1.00 0.00 N ATOM 760 CA ASP A 47 -15.029 3.817 -1.559 1.00 0.00 C ATOM 761 C ASP A 47 -15.506 5.246 -1.878 1.00 0.00 C ATOM 762 O ASP A 47 -15.251 6.179 -1.119 1.00 0.00 O ATOM 763 CB ASP A 47 -13.618 3.552 -2.169 1.00 0.00 C ATOM 764 CG ASP A 47 -13.590 3.412 -3.714 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.876 4.388 -4.429 1.00 0.00 O ATOM 766 OD2 ASP A 47 -13.310 2.302 -4.228 1.00 0.00 O ATOM 0 H ASP A 47 -15.594 2.105 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.957 3.730 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.955 4.367 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.213 2.641 -1.729 1.00 0.00 H new ATOM 771 N ASP A 48 -16.233 5.364 -2.999 1.00 0.00 N ATOM 772 CA ASP A 48 -16.857 6.608 -3.477 1.00 0.00 C ATOM 773 C ASP A 48 -17.706 7.292 -2.383 1.00 0.00 C ATOM 774 O ASP A 48 -17.665 8.519 -2.240 1.00 0.00 O ATOM 775 CB ASP A 48 -17.729 6.281 -4.716 1.00 0.00 C ATOM 776 CG ASP A 48 -18.452 7.499 -5.323 1.00 0.00 C ATOM 777 OD1 ASP A 48 -17.772 8.393 -5.865 1.00 0.00 O ATOM 778 OD2 ASP A 48 -19.702 7.555 -5.277 1.00 0.00 O ATOM 0 H ASP A 48 -16.409 4.572 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.068 7.311 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.097 5.830 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.472 5.535 -4.436 1.00 0.00 H new ATOM 783 N ILE A 49 -18.446 6.480 -1.603 1.00 0.00 N ATOM 784 CA ILE A 49 -19.301 6.976 -0.506 1.00 0.00 C ATOM 785 C ILE A 49 -18.454 7.607 0.622 1.00 0.00 C ATOM 786 O ILE A 49 -18.705 8.748 1.024 1.00 0.00 O ATOM 787 CB ILE A 49 -20.219 5.824 0.065 1.00 0.00 C ATOM 788 CG1 ILE A 49 -21.171 5.282 -1.063 1.00 0.00 C ATOM 789 CG2 ILE A 49 -21.030 6.294 1.306 1.00 0.00 C ATOM 790 CD1 ILE A 49 -22.067 4.111 -0.660 1.00 0.00 C ATOM 0 H ILE A 49 -18.468 5.466 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.946 7.752 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.573 5.011 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.804 6.101 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.561 4.975 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.649 5.473 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.343 6.606 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.668 7.133 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.683 3.815 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.448 3.269 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.710 4.413 0.167 1.00 0.00 H new ATOM 802 N LEU A 50 -17.431 6.866 1.088 1.00 0.00 N ATOM 803 CA LEU A 50 -16.589 7.280 2.236 1.00 0.00 C ATOM 804 C LEU A 50 -15.825 8.558 1.908 1.00 0.00 C ATOM 805 O LEU A 50 -15.883 9.530 2.653 1.00 0.00 O ATOM 806 CB LEU A 50 -15.556 6.189 2.647 1.00 0.00 C ATOM 807 CG LEU A 50 -16.118 4.819 3.117 1.00 0.00 C ATOM 808 CD1 LEU A 50 -17.280 4.982 4.124 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.496 3.919 1.931 1.00 0.00 C ATOM 0 H LEU A 50 -17.163 5.968 0.685 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.273 7.442 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.898 6.010 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.938 6.594 3.449 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.315 4.312 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.641 3.999 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.927 5.523 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -18.092 5.539 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.885 2.971 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.259 4.412 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.613 3.734 1.319 1.00 0.00 H new ATOM 821 N ILE A 51 -15.137 8.528 0.766 1.00 0.00 N ATOM 822 CA ILE A 51 -14.262 9.611 0.314 1.00 0.00 C ATOM 823 C ILE A 51 -15.059 10.914 0.181 1.00 0.00 C ATOM 824 O ILE A 51 -14.693 11.916 0.791 1.00 0.00 O ATOM 825 CB ILE A 51 -13.495 9.199 -1.018 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.243 8.308 -0.685 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.064 10.421 -1.865 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.495 7.074 0.170 1.00 0.00 C ATOM 0 H ILE A 51 -15.172 7.740 0.120 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.490 9.792 1.061 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.202 8.624 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.794 7.986 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.507 8.931 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.546 10.078 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.946 10.994 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.397 11.053 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.556 6.544 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.909 7.376 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.201 6.417 -0.338 1.00 0.00 H new ATOM 840 N TYR A 52 -16.186 10.847 -0.543 1.00 0.00 N ATOM 841 CA TYR A 52 -17.130 11.972 -0.693 1.00 0.00 C ATOM 842 C TYR A 52 -17.584 12.517 0.684 1.00 0.00 C ATOM 843 O TYR A 52 -17.574 13.728 0.904 1.00 0.00 O ATOM 844 CB TYR A 52 -18.350 11.530 -1.542 1.00 0.00 C ATOM 845 CG TYR A 52 -19.262 12.692 -1.984 1.00 0.00 C ATOM 846 CD1 TYR A 52 -18.935 13.467 -3.101 1.00 0.00 C ATOM 847 CD2 TYR A 52 -20.432 13.017 -1.284 1.00 0.00 C ATOM 848 CE1 TYR A 52 -19.740 14.512 -3.501 1.00 0.00 C ATOM 849 CE2 TYR A 52 -21.235 14.062 -1.687 1.00 0.00 C ATOM 850 CZ TYR A 52 -20.885 14.801 -2.794 1.00 0.00 C ATOM 851 OH TYR A 52 -21.689 15.835 -3.204 1.00 0.00 O ATOM 0 H TYR A 52 -16.473 10.007 -1.045 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.616 12.783 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.992 11.006 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.941 10.817 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.038 13.243 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.709 12.439 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -19.473 15.102 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.134 14.300 -1.137 1.00 0.00 H new ATOM 0 HH TYR A 52 -22.458 15.910 -2.601 1.00 0.00 H new ATOM 861 N HIS A 53 -17.927 11.595 1.606 1.00 0.00 N ATOM 862 CA HIS A 53 -18.430 11.930 2.964 1.00 0.00 C ATOM 863 C HIS A 53 -17.394 12.713 3.802 1.00 0.00 C ATOM 864 O HIS A 53 -17.729 13.723 4.435 1.00 0.00 O ATOM 865 CB HIS A 53 -18.887 10.636 3.724 1.00 0.00 C ATOM 866 CG HIS A 53 -20.366 10.357 3.625 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.235 10.562 4.677 1.00 0.00 N ATOM 868 CD2 HIS A 53 -21.129 9.906 2.603 1.00 0.00 C ATOM 869 CE1 HIS A 53 -22.455 10.258 4.303 1.00 0.00 C ATOM 870 NE2 HIS A 53 -22.419 9.857 3.050 1.00 0.00 N ATOM 0 H HIS A 53 -17.865 10.592 1.434 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.292 12.583 2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.339 9.781 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -18.615 10.729 4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -20.783 9.635 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -23.339 10.325 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -23.225 9.558 2.501 1.00 0.00 H new ATOM 879 N LEU A 54 -16.142 12.245 3.789 1.00 0.00 N ATOM 880 CA LEU A 54 -15.054 12.838 4.586 1.00 0.00 C ATOM 881 C LEU A 54 -14.534 14.132 3.916 1.00 0.00 C ATOM 882 O LEU A 54 -13.999 15.010 4.597 1.00 0.00 O ATOM 883 CB LEU A 54 -13.910 11.804 4.826 1.00 0.00 C ATOM 884 CG LEU A 54 -14.130 10.729 5.955 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.256 11.375 7.347 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.315 9.786 5.668 1.00 0.00 C ATOM 0 H LEU A 54 -15.850 11.445 3.227 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.449 13.111 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.731 11.277 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.000 12.357 5.060 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.233 10.110 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.407 10.598 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.345 11.928 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.106 12.057 7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.415 9.068 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.232 10.369 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.138 9.253 4.734 1.00 0.00 H new ATOM 898 N LYS A 55 -14.702 14.237 2.580 1.00 0.00 N ATOM 899 CA LYS A 55 -14.359 15.450 1.816 1.00 0.00 C ATOM 900 C LYS A 55 -15.342 16.594 2.093 1.00 0.00 C ATOM 901 O LYS A 55 -14.975 17.750 1.931 1.00 0.00 O ATOM 902 CB LYS A 55 -14.312 15.164 0.305 1.00 0.00 C ATOM 903 CG LYS A 55 -13.085 14.351 -0.155 1.00 0.00 C ATOM 904 CD LYS A 55 -12.993 14.211 -1.690 1.00 0.00 C ATOM 905 CE LYS A 55 -14.328 13.826 -2.349 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.182 13.662 -3.814 1.00 0.00 N ATOM 0 H LYS A 55 -15.078 13.484 2.005 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.368 15.759 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.216 14.625 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.325 16.112 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.179 14.831 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.126 13.358 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.646 15.154 -2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.245 13.457 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.696 12.897 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.073 14.594 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.100 13.403 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.854 14.556 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.489 12.912 -4.012 1.00 0.00 H new ATOM 920 N MET A 56 -16.596 16.256 2.447 1.00 0.00 N ATOM 921 CA MET A 56 -17.615 17.256 2.867 1.00 0.00 C ATOM 922 C MET A 56 -17.126 18.048 4.098 1.00 0.00 C ATOM 923 O MET A 56 -17.185 19.283 4.125 1.00 0.00 O ATOM 924 CB MET A 56 -18.982 16.593 3.210 1.00 0.00 C ATOM 925 CG MET A 56 -19.660 15.823 2.069 1.00 0.00 C ATOM 926 SD MET A 56 -21.333 15.265 2.493 1.00 0.00 S ATOM 927 CE MET A 56 -21.074 14.373 4.034 1.00 0.00 C ATOM 0 H MET A 56 -16.936 15.294 2.453 1.00 0.00 H new ATOM 0 HA MET A 56 -17.758 17.928 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 56 -18.832 15.909 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.665 17.370 3.553 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.707 16.459 1.185 1.00 0.00 H new ATOM 0 HG3 MET A 56 -19.049 14.959 1.807 1.00 0.00 H new ATOM 0 HE1 MET A 56 -21.691 13.475 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.024 14.093 4.120 1.00 0.00 H new ATOM 0 HE3 MET A 56 -21.349 15.011 4.874 1.00 0.00 H new