USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=6 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 67:sc= 0.875 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.189 K(o=-0.12,f=-2.1) USER MOD Set 1.3: A 56 MET CE :methyl -126:sc= -0.803 (180deg=-1.92!) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0638 F(o=-1.4,f=-0.064) USER MOD Single : A 18 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 27 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.29) USER MOD Single : A 30 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.625 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 ----------------------------------------------------------------- ATOM 75 N ARG A 5 -7.137 1.540 -1.961 1.00 0.00 N ATOM 76 CA ARG A 5 -8.327 1.781 -1.103 1.00 0.00 C ATOM 77 C ARG A 5 -7.901 2.415 0.226 1.00 0.00 C ATOM 78 O ARG A 5 -8.491 3.398 0.687 1.00 0.00 O ATOM 79 CB ARG A 5 -9.082 0.457 -0.820 1.00 0.00 C ATOM 80 CG ARG A 5 -9.493 -0.303 -2.087 1.00 0.00 C ATOM 81 CD ARG A 5 -10.227 -1.617 -1.780 1.00 0.00 C ATOM 82 NE ARG A 5 -10.678 -2.288 -3.012 1.00 0.00 N ATOM 83 CZ ARG A 5 -11.815 -2.014 -3.663 1.00 0.00 C ATOM 84 NH1 ARG A 5 -12.654 -1.111 -3.192 1.00 0.00 N ATOM 85 NH2 ARG A 5 -12.119 -2.667 -4.774 1.00 0.00 N ATOM 0 HA ARG A 5 -8.993 2.460 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.450 -0.188 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.974 0.676 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.136 0.334 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.605 -0.518 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.566 -2.282 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.086 -1.414 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.078 -3.017 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.438 -0.617 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.519 -0.907 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.486 -3.381 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.986 -2.456 -5.268 1.00 0.00 H new ATOM 99 N LEU A 6 -6.836 1.832 0.799 1.00 0.00 N ATOM 100 CA LEU A 6 -6.232 2.277 2.061 1.00 0.00 C ATOM 101 C LEU A 6 -5.656 3.698 1.895 1.00 0.00 C ATOM 102 O LEU A 6 -5.754 4.510 2.806 1.00 0.00 O ATOM 103 CB LEU A 6 -5.143 1.233 2.499 1.00 0.00 C ATOM 104 CG LEU A 6 -4.467 1.369 3.915 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.355 2.443 3.960 1.00 0.00 C ATOM 106 CD2 LEU A 6 -5.522 1.595 5.014 1.00 0.00 C ATOM 0 H LEU A 6 -6.364 1.025 0.390 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.983 2.330 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.599 0.244 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.348 1.257 1.753 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.970 0.419 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.931 2.486 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.573 2.187 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.777 3.415 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.027 1.685 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.076 2.510 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.211 0.750 5.037 1.00 0.00 H new ATOM 118 N ASN A 7 -5.085 3.990 0.715 1.00 0.00 N ATOM 119 CA ASN A 7 -4.453 5.298 0.440 1.00 0.00 C ATOM 120 C ASN A 7 -5.491 6.431 0.411 1.00 0.00 C ATOM 121 O ASN A 7 -5.372 7.403 1.164 1.00 0.00 O ATOM 122 CB ASN A 7 -3.660 5.256 -0.892 1.00 0.00 C ATOM 123 CG ASN A 7 -2.470 4.296 -0.859 1.00 0.00 C ATOM 124 OD1 ASN A 7 -1.790 4.204 0.282 1.00 0.00 O flip ATOM 125 ND2 ASN A 7 -2.131 3.677 -1.862 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.046 3.338 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.757 5.503 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.333 4.962 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.302 6.259 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.671 3.766 -2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.310 3.073 -1.835 1.00 0.00 H new ATOM 132 N GLU A 8 -6.526 6.262 -0.437 1.00 0.00 N ATOM 133 CA GLU A 8 -7.532 7.311 -0.720 1.00 0.00 C ATOM 134 C GLU A 8 -8.375 7.644 0.532 1.00 0.00 C ATOM 135 O GLU A 8 -8.651 8.838 0.814 1.00 0.00 O ATOM 136 CB GLU A 8 -8.402 6.907 -1.945 1.00 0.00 C ATOM 137 CG GLU A 8 -9.131 5.551 -1.821 1.00 0.00 C ATOM 138 CD GLU A 8 -9.731 5.058 -3.153 1.00 0.00 C ATOM 139 OE1 GLU A 8 -10.785 5.577 -3.576 1.00 0.00 O ATOM 140 OE2 GLU A 8 -9.128 4.177 -3.808 1.00 0.00 O ATOM 0 H GLU A 8 -6.690 5.394 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.012 8.232 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.146 7.686 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.764 6.878 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.432 4.803 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.928 5.641 -1.083 1.00 0.00 H new ATOM 147 N VAL A 9 -8.732 6.609 1.330 1.00 0.00 N ATOM 148 CA VAL A 9 -9.398 6.844 2.624 1.00 0.00 C ATOM 149 C VAL A 9 -8.444 7.642 3.551 1.00 0.00 C ATOM 150 O VAL A 9 -8.839 8.643 4.105 1.00 0.00 O ATOM 151 CB VAL A 9 -9.926 5.528 3.330 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.974 4.797 2.452 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.777 4.587 3.725 1.00 0.00 C ATOM 0 H VAL A 9 -8.573 5.627 1.104 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.296 7.427 2.421 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.420 5.837 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.316 3.898 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.822 5.457 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.522 4.521 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.184 3.698 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.222 4.296 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.108 5.099 4.417 1.00 0.00 H new ATOM 163 N ILE A 10 -7.154 7.253 3.610 1.00 0.00 N ATOM 164 CA ILE A 10 -6.132 7.946 4.435 1.00 0.00 C ATOM 165 C ILE A 10 -5.867 9.406 3.933 1.00 0.00 C ATOM 166 O ILE A 10 -5.333 10.233 4.672 1.00 0.00 O ATOM 167 CB ILE A 10 -4.808 7.058 4.526 1.00 0.00 C ATOM 168 CG1 ILE A 10 -5.036 5.830 5.477 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.540 7.841 4.935 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.335 6.192 6.927 1.00 0.00 C ATOM 0 H ILE A 10 -6.788 6.454 3.092 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.516 8.058 5.449 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.616 6.708 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.862 5.235 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.148 5.198 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.689 7.161 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.346 8.626 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.690 8.289 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.478 5.281 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.500 6.758 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.241 6.796 6.972 1.00 0.00 H new ATOM 182 N GLU A 11 -6.301 9.744 2.702 1.00 0.00 N ATOM 183 CA GLU A 11 -6.199 11.130 2.187 1.00 0.00 C ATOM 184 C GLU A 11 -7.204 12.068 2.900 1.00 0.00 C ATOM 185 O GLU A 11 -6.808 13.106 3.450 1.00 0.00 O ATOM 186 CB GLU A 11 -6.394 11.188 0.644 1.00 0.00 C ATOM 187 CG GLU A 11 -5.426 10.293 -0.160 1.00 0.00 C ATOM 188 CD GLU A 11 -3.937 10.565 0.128 1.00 0.00 C ATOM 189 OE1 GLU A 11 -3.394 11.546 -0.420 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.301 9.801 0.897 1.00 0.00 O ATOM 0 H GLU A 11 -6.723 9.084 2.048 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.190 11.480 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.418 10.896 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.273 12.220 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.644 9.248 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.612 10.438 -1.224 1.00 0.00 H new ATOM 197 N LEU A 12 -8.506 11.688 2.910 1.00 0.00 N ATOM 198 CA LEU A 12 -9.597 12.568 3.478 1.00 0.00 C ATOM 199 C LEU A 12 -10.140 12.111 4.861 1.00 0.00 C ATOM 200 O LEU A 12 -10.935 12.825 5.487 1.00 0.00 O ATOM 201 CB LEU A 12 -10.784 12.772 2.460 1.00 0.00 C ATOM 202 CG LEU A 12 -11.196 11.601 1.503 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.254 11.503 0.291 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.334 10.254 2.244 1.00 0.00 C ATOM 0 H LEU A 12 -8.838 10.797 2.542 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.108 13.527 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.666 13.045 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.534 13.630 1.836 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.188 11.840 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.570 10.680 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.288 12.436 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.236 11.324 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.621 9.477 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.381 9.992 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.098 10.340 3.017 1.00 0.00 H new ATOM 216 N LEU A 13 -9.726 10.936 5.323 1.00 0.00 N ATOM 217 CA LEU A 13 -10.226 10.310 6.579 1.00 0.00 C ATOM 218 C LEU A 13 -9.100 10.147 7.610 1.00 0.00 C ATOM 219 O LEU A 13 -9.372 9.722 8.729 1.00 0.00 O ATOM 220 CB LEU A 13 -10.966 8.956 6.216 1.00 0.00 C ATOM 221 CG LEU A 13 -10.936 7.725 7.210 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.219 6.865 7.103 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.678 6.841 6.981 1.00 0.00 C ATOM 0 H LEU A 13 -9.026 10.371 4.843 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.953 10.962 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.014 9.201 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.556 8.611 5.267 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.890 8.138 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.157 6.031 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.088 7.477 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.316 6.481 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.689 6.005 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.682 6.460 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.780 7.437 7.143 1.00 0.00 H new ATOM 235 N GLN A 14 -7.856 10.573 7.251 1.00 0.00 N ATOM 236 CA GLN A 14 -6.647 10.406 8.111 1.00 0.00 C ATOM 237 C GLN A 14 -6.953 10.780 9.598 1.00 0.00 C ATOM 238 O GLN A 14 -6.872 9.895 10.447 1.00 0.00 O ATOM 239 CB GLN A 14 -5.410 11.217 7.573 1.00 0.00 C ATOM 240 CG GLN A 14 -4.029 10.508 7.666 1.00 0.00 C ATOM 241 CD GLN A 14 -3.694 9.909 9.034 1.00 0.00 C ATOM 242 OE1 GLN A 14 -4.002 8.629 9.225 1.00 0.00 O flip ATOM 243 NE2 GLN A 14 -3.154 10.584 9.907 1.00 0.00 N flip ATOM 0 H GLN A 14 -7.663 11.039 6.364 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.379 9.350 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.595 11.471 6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.351 12.156 8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.996 9.713 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.252 11.225 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.931 11.563 9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.929 10.165 10.809 1.00 0.00 H new ATOM 252 N PRO A 15 -7.416 12.056 9.931 1.00 0.00 N ATOM 253 CA PRO A 15 -7.707 12.439 11.338 1.00 0.00 C ATOM 254 C PRO A 15 -8.892 11.632 11.925 1.00 0.00 C ATOM 255 O PRO A 15 -8.810 11.153 13.064 1.00 0.00 O ATOM 256 CB PRO A 15 -8.009 13.965 11.254 1.00 0.00 C ATOM 257 CG PRO A 15 -8.479 14.185 9.846 1.00 0.00 C ATOM 258 CD PRO A 15 -7.703 13.199 8.997 1.00 0.00 C ATOM 0 HA PRO A 15 -6.879 12.221 12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.771 14.258 11.976 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.120 14.557 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.552 14.016 9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.291 15.210 9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.284 12.872 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.783 13.641 8.613 1.00 0.00 H new ATOM 266 N ALA A 16 -9.957 11.440 11.108 1.00 0.00 N ATOM 267 CA ALA A 16 -11.195 10.742 11.524 1.00 0.00 C ATOM 268 C ALA A 16 -10.905 9.316 12.039 1.00 0.00 C ATOM 269 O ALA A 16 -11.408 8.916 13.095 1.00 0.00 O ATOM 270 CB ALA A 16 -12.198 10.702 10.355 1.00 0.00 C ATOM 0 H ALA A 16 -9.980 11.766 10.142 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.632 11.302 12.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.105 10.187 10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.445 11.720 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.754 10.171 9.513 1.00 0.00 H new ATOM 276 N TRP A 17 -10.082 8.554 11.289 1.00 0.00 N ATOM 277 CA TRP A 17 -9.654 7.197 11.699 1.00 0.00 C ATOM 278 C TRP A 17 -8.645 7.256 12.864 1.00 0.00 C ATOM 279 O TRP A 17 -8.614 6.352 13.689 1.00 0.00 O ATOM 280 CB TRP A 17 -9.065 6.416 10.489 1.00 0.00 C ATOM 281 CG TRP A 17 -8.998 4.901 10.643 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.461 4.137 11.680 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.457 3.975 9.693 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.218 2.812 11.441 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.604 2.684 10.227 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.856 4.119 8.448 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -8.173 1.548 9.551 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -7.429 2.997 7.775 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.591 1.719 8.325 1.00 0.00 C ATOM 0 H TRP A 17 -9.699 8.855 10.393 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.535 6.661 12.053 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.663 6.646 9.607 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -8.058 6.787 10.297 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.949 4.525 12.562 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.457 2.044 12.068 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.726 5.099 8.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.294 0.564 9.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.962 3.104 6.807 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.251 0.855 7.773 1.00 0.00 H new ATOM 300 N GLN A 18 -7.834 8.329 12.950 1.00 0.00 N ATOM 301 CA GLN A 18 -6.851 8.481 14.062 1.00 0.00 C ATOM 302 C GLN A 18 -7.529 8.837 15.398 1.00 0.00 C ATOM 303 O GLN A 18 -6.863 8.896 16.441 1.00 0.00 O ATOM 304 CB GLN A 18 -5.713 9.482 13.719 1.00 0.00 C ATOM 305 CG GLN A 18 -4.803 9.057 12.540 1.00 0.00 C ATOM 306 CD GLN A 18 -4.441 7.566 12.532 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.456 7.149 13.137 1.00 0.00 O ATOM 308 NE2 GLN A 18 -5.241 6.760 11.837 1.00 0.00 N ATOM 0 H GLN A 18 -7.832 9.097 12.278 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.387 7.503 14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.158 10.449 13.485 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.093 9.622 14.605 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.302 9.303 11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.884 9.642 12.575 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.050 7.143 11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.045 5.760 11.794 1.00 0.00 H new ATOM 317 N LYS A 19 -8.849 9.077 15.365 1.00 0.00 N ATOM 318 CA LYS A 19 -9.664 9.175 16.594 1.00 0.00 C ATOM 319 C LYS A 19 -9.812 7.789 17.264 1.00 0.00 C ATOM 320 O LYS A 19 -9.927 7.700 18.495 1.00 0.00 O ATOM 321 CB LYS A 19 -11.052 9.805 16.296 1.00 0.00 C ATOM 322 CG LYS A 19 -10.986 11.134 15.501 1.00 0.00 C ATOM 323 CD LYS A 19 -9.987 12.150 16.107 1.00 0.00 C ATOM 324 CE LYS A 19 -9.813 13.411 15.242 1.00 0.00 C ATOM 325 NZ LYS A 19 -11.072 14.182 15.089 1.00 0.00 N ATOM 0 H LYS A 19 -9.378 9.207 14.503 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.146 9.833 17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.652 9.088 15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.568 9.984 17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.700 10.921 14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.979 11.583 15.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.331 12.441 17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.018 11.667 16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.053 14.051 15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.447 13.122 14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.897 15.020 14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.793 13.584 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.410 14.484 16.025 1.00 0.00 H new ATOM 339 N GLU A 20 -9.783 6.719 16.441 1.00 0.00 N ATOM 340 CA GLU A 20 -9.832 5.321 16.918 1.00 0.00 C ATOM 341 C GLU A 20 -9.322 4.338 15.816 1.00 0.00 C ATOM 342 O GLU A 20 -10.114 3.699 15.109 1.00 0.00 O ATOM 343 CB GLU A 20 -11.266 4.967 17.414 1.00 0.00 C ATOM 344 CG GLU A 20 -12.402 5.289 16.416 1.00 0.00 C ATOM 345 CD GLU A 20 -13.801 5.044 16.997 1.00 0.00 C ATOM 346 OE1 GLU A 20 -14.083 3.900 17.393 1.00 0.00 O ATOM 347 OE2 GLU A 20 -14.616 5.990 17.074 1.00 0.00 O ATOM 0 H GLU A 20 -9.725 6.801 15.426 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.160 5.214 17.769 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.300 3.903 17.649 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.456 5.505 18.343 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.321 6.331 16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.275 4.680 15.521 1.00 0.00 H new ATOM 354 N PRO A 21 -7.953 4.218 15.638 1.00 0.00 N ATOM 355 CA PRO A 21 -7.326 3.268 14.668 1.00 0.00 C ATOM 356 C PRO A 21 -7.487 1.783 15.074 1.00 0.00 C ATOM 357 O PRO A 21 -7.026 0.887 14.357 1.00 0.00 O ATOM 358 CB PRO A 21 -5.825 3.693 14.638 1.00 0.00 C ATOM 359 CG PRO A 21 -5.783 5.033 15.312 1.00 0.00 C ATOM 360 CD PRO A 21 -6.913 5.025 16.319 1.00 0.00 C ATOM 0 HA PRO A 21 -7.807 3.325 13.691 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.200 2.969 15.161 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.453 3.755 13.615 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.823 5.194 15.803 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.910 5.838 14.589 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.609 4.577 17.265 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.264 6.033 16.541 1.00 0.00 H new ATOM 368 N ASP A 22 -8.133 1.555 16.235 1.00 0.00 N ATOM 369 CA ASP A 22 -8.440 0.217 16.773 1.00 0.00 C ATOM 370 C ASP A 22 -9.268 -0.620 15.769 1.00 0.00 C ATOM 371 O ASP A 22 -9.056 -1.832 15.619 1.00 0.00 O ATOM 372 CB ASP A 22 -9.215 0.390 18.105 1.00 0.00 C ATOM 373 CG ASP A 22 -9.464 -0.932 18.856 1.00 0.00 C ATOM 374 OD1 ASP A 22 -10.452 -1.637 18.553 1.00 0.00 O ATOM 375 OD2 ASP A 22 -8.683 -1.268 19.769 1.00 0.00 O ATOM 0 H ASP A 22 -8.462 2.311 16.836 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.509 -0.322 16.947 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.658 1.066 18.754 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.174 0.865 17.898 1.00 0.00 H new ATOM 380 N PHE A 23 -10.221 0.051 15.103 1.00 0.00 N ATOM 381 CA PHE A 23 -11.076 -0.560 14.072 1.00 0.00 C ATOM 382 C PHE A 23 -10.303 -0.766 12.756 1.00 0.00 C ATOM 383 O PHE A 23 -9.402 0.012 12.428 1.00 0.00 O ATOM 384 CB PHE A 23 -12.347 0.307 13.845 1.00 0.00 C ATOM 385 CG PHE A 23 -13.409 0.138 14.931 1.00 0.00 C ATOM 386 CD1 PHE A 23 -13.277 0.752 16.175 1.00 0.00 C ATOM 387 CD2 PHE A 23 -14.540 -0.655 14.707 1.00 0.00 C ATOM 388 CE1 PHE A 23 -14.238 0.578 17.159 1.00 0.00 C ATOM 389 CE2 PHE A 23 -15.497 -0.825 15.690 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.347 -0.208 16.915 1.00 0.00 C ATOM 0 H PHE A 23 -10.421 1.038 15.265 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.387 -1.544 14.424 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.056 1.356 13.794 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.783 0.050 12.880 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.415 1.371 16.375 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.667 -1.142 13.751 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -14.119 1.058 18.119 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -16.363 -1.441 15.499 1.00 0.00 H new ATOM 0 HZ PHE A 23 -16.096 -0.340 17.682 1.00 0.00 H new ATOM 400 N ASN A 24 -10.675 -1.836 12.020 1.00 0.00 N ATOM 401 CA ASN A 24 -10.058 -2.203 10.724 1.00 0.00 C ATOM 402 C ASN A 24 -10.496 -1.230 9.614 1.00 0.00 C ATOM 403 O ASN A 24 -11.251 -0.284 9.871 1.00 0.00 O ATOM 404 CB ASN A 24 -10.426 -3.667 10.336 1.00 0.00 C ATOM 405 CG ASN A 24 -9.913 -4.719 11.326 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.866 -4.547 11.953 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.642 -5.819 11.469 1.00 0.00 N ATOM 0 H ASN A 24 -11.416 -2.474 12.309 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.976 -2.134 10.834 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.510 -3.751 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.020 -3.884 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.340 -6.551 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.504 -5.932 10.936 1.00 0.00 H new ATOM 414 N LEU A 25 -10.010 -1.471 8.381 1.00 0.00 N ATOM 415 CA LEU A 25 -10.331 -0.630 7.213 1.00 0.00 C ATOM 416 C LEU A 25 -11.857 -0.633 6.970 1.00 0.00 C ATOM 417 O LEU A 25 -12.502 0.396 7.098 1.00 0.00 O ATOM 418 CB LEU A 25 -9.504 -1.128 5.977 1.00 0.00 C ATOM 419 CG LEU A 25 -9.478 -0.242 4.675 1.00 0.00 C ATOM 420 CD1 LEU A 25 -10.666 -0.515 3.734 1.00 0.00 C ATOM 421 CD2 LEU A 25 -9.385 1.254 5.017 1.00 0.00 C ATOM 0 H LEU A 25 -9.387 -2.250 8.168 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.048 0.407 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.473 -1.265 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.884 -2.111 5.700 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.578 -0.531 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.590 0.127 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.651 -1.559 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.599 -0.306 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.369 1.837 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.248 1.545 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.472 1.442 5.582 1.00 0.00 H new ATOM 433 N LEU A 26 -12.429 -1.821 6.738 1.00 0.00 N ATOM 434 CA LEU A 26 -13.886 -1.990 6.528 1.00 0.00 C ATOM 435 C LEU A 26 -14.702 -1.720 7.819 1.00 0.00 C ATOM 436 O LEU A 26 -15.845 -1.273 7.735 1.00 0.00 O ATOM 437 CB LEU A 26 -14.211 -3.415 5.951 1.00 0.00 C ATOM 438 CG LEU A 26 -14.405 -3.523 4.401 1.00 0.00 C ATOM 439 CD1 LEU A 26 -15.590 -2.655 3.916 1.00 0.00 C ATOM 440 CD2 LEU A 26 -13.110 -3.192 3.641 1.00 0.00 C ATOM 0 H LEU A 26 -11.904 -2.694 6.689 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.188 -1.242 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.406 -4.090 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.119 -3.777 6.433 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.651 -4.561 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.695 -2.754 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.507 -2.987 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.403 -1.611 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.285 -3.278 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.799 -2.174 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.326 -3.889 3.938 1.00 0.00 H new ATOM 452 N GLN A 27 -14.102 -1.971 9.000 1.00 0.00 N ATOM 453 CA GLN A 27 -14.824 -1.894 10.294 1.00 0.00 C ATOM 454 C GLN A 27 -15.033 -0.441 10.763 1.00 0.00 C ATOM 455 O GLN A 27 -16.087 -0.111 11.314 1.00 0.00 O ATOM 456 CB GLN A 27 -14.096 -2.725 11.380 1.00 0.00 C ATOM 457 CG GLN A 27 -14.029 -4.238 11.078 1.00 0.00 C ATOM 458 CD GLN A 27 -15.400 -4.910 10.918 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.388 -4.500 11.531 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.467 -5.951 10.101 1.00 0.00 N ATOM 0 H GLN A 27 -13.119 -2.229 9.088 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.814 -2.321 10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.082 -2.343 11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.602 -2.578 12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.454 -4.389 10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.486 -4.734 11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.632 -6.267 9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.354 -6.437 9.965 1.00 0.00 H new ATOM 469 N PHE A 28 -14.037 0.433 10.551 1.00 0.00 N ATOM 470 CA PHE A 28 -14.195 1.871 10.851 1.00 0.00 C ATOM 471 C PHE A 28 -15.125 2.508 9.807 1.00 0.00 C ATOM 472 O PHE A 28 -15.957 3.376 10.122 1.00 0.00 O ATOM 473 CB PHE A 28 -12.836 2.614 10.876 1.00 0.00 C ATOM 474 CG PHE A 28 -12.988 4.088 11.254 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.232 4.451 12.576 1.00 0.00 C ATOM 476 CD2 PHE A 28 -12.961 5.099 10.288 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.434 5.774 12.922 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.176 6.420 10.639 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.410 6.755 11.956 1.00 0.00 C ATOM 0 H PHE A 28 -13.123 0.177 10.178 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.630 1.962 11.846 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.170 2.125 11.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.365 2.539 9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.264 3.689 13.341 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.770 4.846 9.256 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.611 6.039 13.954 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.161 7.189 9.881 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.574 7.787 12.230 1.00 0.00 H new ATOM 489 N LEU A 29 -14.942 2.064 8.559 1.00 0.00 N ATOM 490 CA LEU A 29 -15.765 2.484 7.415 1.00 0.00 C ATOM 491 C LEU A 29 -17.252 2.129 7.637 1.00 0.00 C ATOM 492 O LEU A 29 -18.129 2.905 7.267 1.00 0.00 O ATOM 493 CB LEU A 29 -15.203 1.860 6.098 1.00 0.00 C ATOM 494 CG LEU A 29 -14.141 2.711 5.321 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.051 3.316 6.240 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.532 1.880 4.167 1.00 0.00 C ATOM 0 H LEU A 29 -14.212 1.397 8.310 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.714 3.569 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.757 0.896 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.040 1.665 5.428 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.663 3.568 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.348 3.893 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.518 3.968 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.519 2.513 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.796 2.482 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.049 0.992 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.322 1.580 3.478 1.00 0.00 H new ATOM 508 N GLN A 30 -17.517 0.975 8.287 1.00 0.00 N ATOM 509 CA GLN A 30 -18.885 0.513 8.585 1.00 0.00 C ATOM 510 C GLN A 30 -19.493 1.337 9.728 1.00 0.00 C ATOM 511 O GLN A 30 -20.713 1.555 9.750 1.00 0.00 O ATOM 512 CB GLN A 30 -18.888 -1.021 8.890 1.00 0.00 C ATOM 513 CG GLN A 30 -18.725 -1.454 10.362 1.00 0.00 C ATOM 514 CD GLN A 30 -20.053 -1.574 11.126 1.00 0.00 C ATOM 515 OE1 GLN A 30 -21.057 -2.023 10.580 1.00 0.00 O ATOM 516 NE2 GLN A 30 -20.078 -1.091 12.345 1.00 0.00 N ATOM 0 H GLN A 30 -16.789 0.341 8.618 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.514 0.668 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -19.825 -1.436 8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.085 -1.480 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.211 -2.415 10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.086 -0.734 10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -19.224 -0.726 12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.952 -1.080 12.871 1.00 0.00 H new ATOM 525 N LYS A 31 -18.640 1.781 10.687 1.00 0.00 N ATOM 526 CA LYS A 31 -19.087 2.657 11.787 1.00 0.00 C ATOM 527 C LYS A 31 -19.673 3.950 11.208 1.00 0.00 C ATOM 528 O LYS A 31 -20.859 4.233 11.390 1.00 0.00 O ATOM 529 CB LYS A 31 -17.931 2.975 12.780 1.00 0.00 C ATOM 530 CG LYS A 31 -17.420 1.764 13.597 1.00 0.00 C ATOM 531 CD LYS A 31 -18.510 1.095 14.478 1.00 0.00 C ATOM 532 CE LYS A 31 -19.125 2.054 15.508 1.00 0.00 C ATOM 533 NZ LYS A 31 -20.110 1.382 16.392 1.00 0.00 N ATOM 0 H LYS A 31 -17.648 1.546 10.716 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.857 2.130 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.096 3.395 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.269 3.745 13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.014 1.020 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.599 2.090 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.300 0.706 13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.075 0.242 14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.331 2.486 16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.612 2.878 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.496 2.071 17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.883 0.991 15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.642 0.612 16.911 1.00 0.00 H new ATOM 547 N LEU A 32 -18.854 4.670 10.420 1.00 0.00 N ATOM 548 CA LEU A 32 -19.244 5.969 9.844 1.00 0.00 C ATOM 549 C LEU A 32 -20.387 5.801 8.816 1.00 0.00 C ATOM 550 O LEU A 32 -21.257 6.668 8.713 1.00 0.00 O ATOM 551 CB LEU A 32 -17.990 6.693 9.246 1.00 0.00 C ATOM 552 CG LEU A 32 -17.354 6.114 7.920 1.00 0.00 C ATOM 553 CD1 LEU A 32 -18.028 6.666 6.637 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.821 6.332 7.881 1.00 0.00 C ATOM 0 H LEU A 32 -17.912 4.371 10.167 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.638 6.607 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.263 7.731 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.214 6.701 10.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.544 5.041 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.549 6.233 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.086 6.403 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.924 7.751 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.419 5.921 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.604 7.399 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.360 5.829 8.731 1.00 0.00 H new ATOM 566 N ALA A 33 -20.370 4.666 8.079 1.00 0.00 N ATOM 567 CA ALA A 33 -21.370 4.362 7.025 1.00 0.00 C ATOM 568 C ALA A 33 -22.774 4.220 7.617 1.00 0.00 C ATOM 569 O ALA A 33 -23.721 4.871 7.168 1.00 0.00 O ATOM 570 CB ALA A 33 -20.994 3.077 6.267 1.00 0.00 C ATOM 0 H ALA A 33 -19.666 3.937 8.196 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.371 5.198 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.742 2.875 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.018 3.203 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.955 2.241 6.965 1.00 0.00 H new ATOM 576 N LYS A 34 -22.899 3.364 8.633 1.00 0.00 N ATOM 577 CA LYS A 34 -24.186 3.106 9.304 1.00 0.00 C ATOM 578 C LYS A 34 -24.644 4.328 10.138 1.00 0.00 C ATOM 579 O LYS A 34 -25.844 4.502 10.379 1.00 0.00 O ATOM 580 CB LYS A 34 -24.105 1.807 10.143 1.00 0.00 C ATOM 581 CG LYS A 34 -23.848 0.535 9.289 1.00 0.00 C ATOM 582 CD LYS A 34 -23.929 -0.775 10.104 1.00 0.00 C ATOM 583 CE LYS A 34 -25.343 -1.068 10.640 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.377 -2.273 11.508 1.00 0.00 N ATOM 0 H LYS A 34 -22.119 2.830 9.016 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.952 2.954 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.308 1.908 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -25.036 1.682 10.696 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.576 0.496 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.863 0.608 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.605 -1.606 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -23.234 -0.718 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.702 -0.207 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -26.026 -1.207 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.348 -2.431 11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -25.060 -3.101 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -24.746 -2.132 12.323 1.00 0.00 H new ATOM 598 N GLU A 35 -23.684 5.181 10.565 1.00 0.00 N ATOM 599 CA GLU A 35 -24.001 6.502 11.170 1.00 0.00 C ATOM 600 C GLU A 35 -24.587 7.473 10.120 1.00 0.00 C ATOM 601 O GLU A 35 -25.330 8.395 10.469 1.00 0.00 O ATOM 602 CB GLU A 35 -22.757 7.139 11.857 1.00 0.00 C ATOM 603 CG GLU A 35 -22.267 6.394 13.119 1.00 0.00 C ATOM 604 CD GLU A 35 -23.360 6.224 14.188 1.00 0.00 C ATOM 605 OE1 GLU A 35 -23.643 7.193 14.925 1.00 0.00 O ATOM 606 OE2 GLU A 35 -23.960 5.123 14.285 1.00 0.00 O ATOM 0 H GLU A 35 -22.686 4.982 10.503 1.00 0.00 H new ATOM 0 HA GLU A 35 -24.754 6.325 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.941 7.180 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.995 8.168 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.895 5.411 12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.428 6.939 13.551 1.00 0.00 H new ATOM 613 N SER A 36 -24.239 7.255 8.840 1.00 0.00 N ATOM 614 CA SER A 36 -24.817 8.005 7.701 1.00 0.00 C ATOM 615 C SER A 36 -26.196 7.432 7.297 1.00 0.00 C ATOM 616 O SER A 36 -26.922 8.048 6.507 1.00 0.00 O ATOM 617 CB SER A 36 -23.845 7.953 6.495 1.00 0.00 C ATOM 618 OG SER A 36 -22.539 8.364 6.873 1.00 0.00 O ATOM 0 H SER A 36 -23.550 6.556 8.562 1.00 0.00 H new ATOM 0 HA SER A 36 -24.960 9.041 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.809 6.939 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 36 -24.216 8.597 5.697 1.00 0.00 H new ATOM 0 HG SER A 36 -22.154 7.706 7.489 1.00 0.00 H new ATOM 624 N GLY A 37 -26.540 6.254 7.849 1.00 0.00 N ATOM 625 CA GLY A 37 -27.785 5.557 7.513 1.00 0.00 C ATOM 626 C GLY A 37 -27.660 4.701 6.258 1.00 0.00 C ATOM 627 O GLY A 37 -28.559 4.686 5.410 1.00 0.00 O ATOM 0 H GLY A 37 -25.964 5.765 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.080 4.925 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.580 6.289 7.371 1.00 0.00 H new ATOM 631 N PHE A 38 -26.518 4.001 6.144 1.00 0.00 N ATOM 632 CA PHE A 38 -26.237 3.080 5.030 1.00 0.00 C ATOM 633 C PHE A 38 -27.082 1.800 5.203 1.00 0.00 C ATOM 634 O PHE A 38 -26.836 1.019 6.130 1.00 0.00 O ATOM 635 CB PHE A 38 -24.720 2.758 4.997 1.00 0.00 C ATOM 636 CG PHE A 38 -24.239 2.037 3.747 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.540 2.531 2.478 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.476 0.874 3.832 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.097 1.884 1.339 1.00 0.00 C ATOM 640 CE2 PHE A 38 -23.034 0.236 2.693 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.346 0.738 1.447 1.00 0.00 C ATOM 0 H PHE A 38 -25.761 4.059 6.825 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.506 3.541 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.164 3.691 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.475 2.148 5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -25.128 3.432 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.228 0.468 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.341 2.279 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.440 -0.662 2.777 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.001 0.232 0.558 1.00 0.00 H new ATOM 651 N ASP A 39 -28.091 1.627 4.324 1.00 0.00 N ATOM 652 CA ASP A 39 -29.087 0.527 4.418 1.00 0.00 C ATOM 653 C ASP A 39 -28.438 -0.844 4.189 1.00 0.00 C ATOM 654 O ASP A 39 -28.704 -1.804 4.929 1.00 0.00 O ATOM 655 CB ASP A 39 -30.238 0.730 3.391 1.00 0.00 C ATOM 656 CG ASP A 39 -31.061 2.003 3.641 1.00 0.00 C ATOM 657 OD1 ASP A 39 -30.631 3.094 3.210 1.00 0.00 O ATOM 658 OD2 ASP A 39 -32.142 1.924 4.272 1.00 0.00 O ATOM 0 H ASP A 39 -28.243 2.244 3.526 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.496 0.554 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -29.816 0.770 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.901 -0.135 3.424 1.00 0.00 H new ATOM 663 N GLY A 40 -27.589 -0.915 3.154 1.00 0.00 N ATOM 664 CA GLY A 40 -26.857 -2.138 2.833 1.00 0.00 C ATOM 665 C GLY A 40 -25.721 -2.403 3.813 1.00 0.00 C ATOM 666 O GLY A 40 -25.432 -1.569 4.682 1.00 0.00 O ATOM 0 H GLY A 40 -27.395 -0.135 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.545 -2.983 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.453 -2.063 1.823 1.00 0.00 H new ATOM 670 N GLU A 41 -25.072 -3.564 3.672 1.00 0.00 N ATOM 671 CA GLU A 41 -23.912 -3.931 4.496 1.00 0.00 C ATOM 672 C GLU A 41 -22.655 -3.237 3.959 1.00 0.00 C ATOM 673 O GLU A 41 -22.623 -2.782 2.818 1.00 0.00 O ATOM 674 CB GLU A 41 -23.718 -5.469 4.528 1.00 0.00 C ATOM 675 CG GLU A 41 -23.316 -6.116 3.191 1.00 0.00 C ATOM 676 CD GLU A 41 -23.190 -7.640 3.295 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.244 -8.115 3.953 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.039 -8.366 2.742 1.00 0.00 O ATOM 0 H GLU A 41 -25.333 -4.273 2.987 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.091 -3.599 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.955 -5.706 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.646 -5.927 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.057 -5.866 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.366 -5.697 2.859 1.00 0.00 H new ATOM 685 N LEU A 42 -21.625 -3.197 4.793 1.00 0.00 N ATOM 686 CA LEU A 42 -20.338 -2.548 4.486 1.00 0.00 C ATOM 687 C LEU A 42 -19.593 -3.196 3.288 1.00 0.00 C ATOM 688 O LEU A 42 -18.664 -2.591 2.745 1.00 0.00 O ATOM 689 CB LEU A 42 -19.422 -2.521 5.730 1.00 0.00 C ATOM 690 CG LEU A 42 -19.152 -3.900 6.443 1.00 0.00 C ATOM 691 CD1 LEU A 42 -17.734 -3.937 7.033 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.204 -4.222 7.548 1.00 0.00 C ATOM 0 H LEU A 42 -21.651 -3.620 5.721 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.580 -1.527 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.462 -2.097 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -19.861 -1.841 6.460 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.244 -4.671 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -17.568 -4.897 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.004 -3.804 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -17.623 -3.135 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.969 -5.183 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.182 -3.443 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.198 -4.266 7.103 1.00 0.00 H new ATOM 704 N ALA A 43 -19.967 -4.432 2.913 1.00 0.00 N ATOM 705 CA ALA A 43 -19.460 -5.082 1.675 1.00 0.00 C ATOM 706 C ALA A 43 -19.961 -4.346 0.401 1.00 0.00 C ATOM 707 O ALA A 43 -19.320 -4.409 -0.657 1.00 0.00 O ATOM 708 CB ALA A 43 -19.864 -6.567 1.647 1.00 0.00 C ATOM 0 H ALA A 43 -20.619 -5.008 3.445 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.372 -5.018 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.486 -7.030 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.442 -7.075 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.951 -6.649 1.672 1.00 0.00 H new ATOM 714 N ASP A 44 -21.114 -3.657 0.526 1.00 0.00 N ATOM 715 CA ASP A 44 -21.701 -2.818 -0.546 1.00 0.00 C ATOM 716 C ASP A 44 -21.037 -1.431 -0.596 1.00 0.00 C ATOM 717 O ASP A 44 -21.195 -0.699 -1.586 1.00 0.00 O ATOM 718 CB ASP A 44 -23.224 -2.617 -0.314 1.00 0.00 C ATOM 719 CG ASP A 44 -24.036 -3.918 -0.334 1.00 0.00 C ATOM 720 OD1 ASP A 44 -24.188 -4.515 -1.417 1.00 0.00 O ATOM 721 OD2 ASP A 44 -24.548 -4.342 0.721 1.00 0.00 O ATOM 0 H ASP A 44 -21.671 -3.666 1.381 1.00 0.00 H new ATOM 0 HA ASP A 44 -21.530 -3.339 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -23.373 -2.123 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -23.612 -1.947 -1.081 1.00 0.00 H new ATOM 726 N LEU A 45 -20.332 -1.066 0.496 1.00 0.00 N ATOM 727 CA LEU A 45 -19.782 0.286 0.696 1.00 0.00 C ATOM 728 C LEU A 45 -18.676 0.585 -0.331 1.00 0.00 C ATOM 729 O LEU A 45 -17.555 0.072 -0.220 1.00 0.00 O ATOM 730 CB LEU A 45 -19.241 0.440 2.147 1.00 0.00 C ATOM 731 CG LEU A 45 -18.964 1.896 2.620 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.259 2.742 2.670 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.230 1.896 3.972 1.00 0.00 C ATOM 0 H LEU A 45 -20.129 -1.705 1.265 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.584 1.009 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -19.959 -0.013 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.316 -0.131 2.231 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.312 2.368 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -20.021 3.752 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.704 2.785 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.965 2.286 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.045 2.923 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.844 1.393 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.280 1.371 3.870 1.00 0.00 H new ATOM 745 N THR A 46 -19.030 1.372 -1.356 1.00 0.00 N ATOM 746 CA THR A 46 -18.103 1.753 -2.428 1.00 0.00 C ATOM 747 C THR A 46 -17.177 2.888 -1.952 1.00 0.00 C ATOM 748 O THR A 46 -17.598 3.748 -1.169 1.00 0.00 O ATOM 749 CB THR A 46 -18.878 2.191 -3.716 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.693 3.343 -3.437 1.00 0.00 O ATOM 751 CG2 THR A 46 -19.767 1.056 -4.265 1.00 0.00 C ATOM 0 H THR A 46 -19.966 1.762 -1.465 1.00 0.00 H new ATOM 0 HA THR A 46 -17.498 0.881 -2.678 1.00 0.00 H new ATOM 0 HB THR A 46 -18.135 2.437 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.172 3.609 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.287 1.401 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.146 0.196 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.497 0.768 -3.509 1.00 0.00 H new ATOM 759 N ASP A 47 -15.929 2.890 -2.458 1.00 0.00 N ATOM 760 CA ASP A 47 -14.887 3.881 -2.087 1.00 0.00 C ATOM 761 C ASP A 47 -15.368 5.308 -2.373 1.00 0.00 C ATOM 762 O ASP A 47 -15.029 6.244 -1.652 1.00 0.00 O ATOM 763 CB ASP A 47 -13.587 3.618 -2.882 1.00 0.00 C ATOM 764 CG ASP A 47 -13.150 2.147 -2.835 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.748 1.338 -3.581 1.00 0.00 O ATOM 766 OD2 ASP A 47 -12.235 1.784 -2.065 1.00 0.00 O ATOM 0 H ASP A 47 -15.608 2.202 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.691 3.776 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.735 3.916 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.789 4.243 -2.482 1.00 0.00 H new ATOM 771 N ASP A 48 -16.182 5.434 -3.438 1.00 0.00 N ATOM 772 CA ASP A 48 -16.777 6.706 -3.874 1.00 0.00 C ATOM 773 C ASP A 48 -17.575 7.370 -2.723 1.00 0.00 C ATOM 774 O ASP A 48 -17.485 8.593 -2.514 1.00 0.00 O ATOM 775 CB ASP A 48 -17.682 6.460 -5.110 1.00 0.00 C ATOM 776 CG ASP A 48 -18.149 7.759 -5.799 1.00 0.00 C ATOM 777 OD1 ASP A 48 -19.165 8.349 -5.372 1.00 0.00 O ATOM 778 OD2 ASP A 48 -17.501 8.191 -6.780 1.00 0.00 O ATOM 0 H ASP A 48 -16.447 4.643 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.978 7.392 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.139 5.850 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.556 5.887 -4.802 1.00 0.00 H new ATOM 783 N ILE A 49 -18.325 6.540 -1.971 1.00 0.00 N ATOM 784 CA ILE A 49 -19.064 6.983 -0.776 1.00 0.00 C ATOM 785 C ILE A 49 -18.094 7.582 0.274 1.00 0.00 C ATOM 786 O ILE A 49 -18.307 8.703 0.739 1.00 0.00 O ATOM 787 CB ILE A 49 -19.901 5.802 -0.140 1.00 0.00 C ATOM 788 CG1 ILE A 49 -20.973 5.276 -1.152 1.00 0.00 C ATOM 789 CG2 ILE A 49 -20.556 6.215 1.202 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.755 4.038 -0.703 1.00 0.00 C ATOM 0 H ILE A 49 -18.434 5.547 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.764 7.757 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.208 4.990 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.682 6.079 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.476 5.047 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.121 5.375 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.781 6.504 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.227 7.057 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.470 3.759 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.063 3.213 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.289 4.260 0.221 1.00 0.00 H new ATOM 802 N LEU A 50 -17.008 6.846 0.588 1.00 0.00 N ATOM 803 CA LEU A 50 -16.050 7.244 1.644 1.00 0.00 C ATOM 804 C LEU A 50 -15.353 8.571 1.312 1.00 0.00 C ATOM 805 O LEU A 50 -15.330 9.483 2.137 1.00 0.00 O ATOM 806 CB LEU A 50 -14.967 6.150 1.900 1.00 0.00 C ATOM 807 CG LEU A 50 -15.442 4.830 2.571 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.398 5.110 3.745 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.045 3.851 1.554 1.00 0.00 C ATOM 0 H LEU A 50 -16.771 5.969 0.124 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.643 7.369 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.508 5.898 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.186 6.585 2.524 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.560 4.341 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.711 4.167 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.887 5.714 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.274 5.648 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.363 2.943 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.904 4.314 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.296 3.600 0.803 1.00 0.00 H new ATOM 821 N ILE A 51 -14.797 8.662 0.096 1.00 0.00 N ATOM 822 CA ILE A 51 -14.016 9.837 -0.334 1.00 0.00 C ATOM 823 C ILE A 51 -14.880 11.106 -0.228 1.00 0.00 C ATOM 824 O ILE A 51 -14.557 12.001 0.548 1.00 0.00 O ATOM 825 CB ILE A 51 -13.386 9.636 -1.776 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.072 8.766 -1.709 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.087 10.991 -2.482 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.168 7.436 -0.973 1.00 0.00 C ATOM 0 H ILE A 51 -14.873 7.933 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.166 9.958 0.338 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.132 9.106 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.743 8.567 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.293 9.362 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.657 10.802 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.013 11.555 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.382 11.566 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.200 6.935 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.458 7.613 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -12.915 6.806 -1.456 1.00 0.00 H new ATOM 840 N TYR A 52 -16.018 11.109 -0.933 1.00 0.00 N ATOM 841 CA TYR A 52 -16.981 12.224 -0.905 1.00 0.00 C ATOM 842 C TYR A 52 -17.412 12.594 0.544 1.00 0.00 C ATOM 843 O TYR A 52 -17.297 13.752 0.952 1.00 0.00 O ATOM 844 CB TYR A 52 -18.224 11.881 -1.768 1.00 0.00 C ATOM 845 CG TYR A 52 -19.305 12.966 -1.714 1.00 0.00 C ATOM 846 CD1 TYR A 52 -19.109 14.201 -2.332 1.00 0.00 C ATOM 847 CD2 TYR A 52 -20.496 12.771 -1.008 1.00 0.00 C ATOM 848 CE1 TYR A 52 -20.060 15.191 -2.242 1.00 0.00 C ATOM 849 CE2 TYR A 52 -21.449 13.760 -0.928 1.00 0.00 C ATOM 850 CZ TYR A 52 -21.226 14.966 -1.546 1.00 0.00 C ATOM 851 OH TYR A 52 -22.170 15.962 -1.456 1.00 0.00 O ATOM 0 H TYR A 52 -16.300 10.339 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.480 13.097 -1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.913 11.736 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.647 10.936 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.201 14.382 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.671 11.826 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -19.892 16.146 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.366 13.589 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 52 -22.934 15.642 -0.932 1.00 0.00 H new ATOM 861 N HIS A 53 -17.875 11.585 1.302 1.00 0.00 N ATOM 862 CA HIS A 53 -18.489 11.772 2.641 1.00 0.00 C ATOM 863 C HIS A 53 -17.489 12.359 3.657 1.00 0.00 C ATOM 864 O HIS A 53 -17.832 13.244 4.452 1.00 0.00 O ATOM 865 CB HIS A 53 -19.050 10.419 3.151 1.00 0.00 C ATOM 866 CG HIS A 53 -19.835 10.506 4.422 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.090 11.056 4.485 1.00 0.00 N ATOM 868 CD2 HIS A 53 -19.543 10.102 5.677 1.00 0.00 C ATOM 869 CE1 HIS A 53 -21.531 11.003 5.717 1.00 0.00 C ATOM 870 NE2 HIS A 53 -20.617 10.420 6.469 1.00 0.00 N ATOM 0 H HIS A 53 -17.837 10.609 1.007 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.303 12.490 2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -19.685 9.990 2.376 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -18.219 9.730 3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -18.632 9.618 5.998 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -22.485 11.375 6.061 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -20.696 10.237 7.469 1.00 0.00 H new ATOM 879 N LEU A 54 -16.253 11.858 3.609 1.00 0.00 N ATOM 880 CA LEU A 54 -15.179 12.264 4.531 1.00 0.00 C ATOM 881 C LEU A 54 -14.571 13.604 4.100 1.00 0.00 C ATOM 882 O LEU A 54 -14.020 14.323 4.924 1.00 0.00 O ATOM 883 CB LEU A 54 -14.101 11.151 4.672 1.00 0.00 C ATOM 884 CG LEU A 54 -14.429 9.981 5.659 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.514 10.477 7.117 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.699 9.205 5.257 1.00 0.00 C ATOM 0 H LEU A 54 -15.963 11.156 2.928 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.615 12.406 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.920 10.724 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.170 11.617 4.993 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.598 9.279 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.743 9.638 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.560 10.916 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.299 11.228 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.879 8.405 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.552 9.883 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.565 8.777 4.264 1.00 0.00 H new ATOM 898 N LYS A 55 -14.670 13.928 2.801 1.00 0.00 N ATOM 899 CA LYS A 55 -14.310 15.259 2.307 1.00 0.00 C ATOM 900 C LYS A 55 -15.308 16.308 2.813 1.00 0.00 C ATOM 901 O LYS A 55 -14.908 17.392 3.151 1.00 0.00 O ATOM 902 CB LYS A 55 -14.242 15.308 0.772 1.00 0.00 C ATOM 903 CG LYS A 55 -13.015 14.603 0.154 1.00 0.00 C ATOM 904 CD LYS A 55 -12.907 14.789 -1.377 1.00 0.00 C ATOM 905 CE LYS A 55 -14.253 14.629 -2.098 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.155 14.919 -3.554 1.00 0.00 N ATOM 0 H LYS A 55 -14.996 13.286 2.079 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.316 15.484 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.146 14.853 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.241 16.351 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.110 14.987 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.065 13.538 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.503 15.779 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.199 14.063 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.619 13.612 -1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.986 15.297 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.089 14.797 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.832 15.898 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.476 14.265 -3.993 1.00 0.00 H new ATOM 920 N MET A 56 -16.610 15.963 2.871 1.00 0.00 N ATOM 921 CA MET A 56 -17.672 16.913 3.312 1.00 0.00 C ATOM 922 C MET A 56 -17.354 17.557 4.685 1.00 0.00 C ATOM 923 O MET A 56 -17.670 18.733 4.914 1.00 0.00 O ATOM 924 CB MET A 56 -19.070 16.243 3.358 1.00 0.00 C ATOM 925 CG MET A 56 -19.630 15.795 1.996 1.00 0.00 C ATOM 926 SD MET A 56 -21.399 15.418 2.047 1.00 0.00 S ATOM 927 CE MET A 56 -21.485 14.194 3.350 1.00 0.00 C ATOM 0 H MET A 56 -16.959 15.038 2.620 1.00 0.00 H new ATOM 0 HA MET A 56 -17.691 17.703 2.562 1.00 0.00 H new ATOM 0 HB2 MET A 56 -19.017 15.374 4.014 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.775 16.941 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.453 16.580 1.261 1.00 0.00 H new ATOM 0 HG3 MET A 56 -19.086 14.913 1.658 1.00 0.00 H new ATOM 0 HE1 MET A 56 -21.987 13.301 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.477 13.935 3.673 1.00 0.00 H new ATOM 0 HE3 MET A 56 -22.043 14.599 4.194 1.00 0.00 H new