USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 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 4 THR OG1 : rot 100:sc= 0.00683 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 1 LYS N :NH3+ 143:sc= -0.177 (180deg=-1.57!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.778 K(o=-0.78,f=-4.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.002) USER MOD Single : A 22 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.011) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 31 ASN : amide:sc= -0.541 X(o=-0.54,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0.158 USER MOD Single : A 35 ASN : amide:sc= -1.8! C(o=-1.8!,f=-7.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.283 -20.618 -1.755 1.00 0.00 N ATOM 2 CA LYS A 1 -6.822 -20.626 -2.064 1.00 0.00 C ATOM 3 C LYS A 1 -6.478 -21.825 -2.952 1.00 0.00 C ATOM 4 O LYS A 1 -6.457 -22.955 -2.505 1.00 0.00 O ATOM 5 CB LYS A 1 -6.126 -20.748 -0.709 1.00 0.00 C ATOM 6 CG LYS A 1 -6.675 -21.966 0.035 1.00 0.00 C ATOM 7 CD LYS A 1 -5.513 -22.830 0.525 1.00 0.00 C ATOM 8 CE LYS A 1 -5.541 -22.898 2.053 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.129 -24.290 2.381 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.429 -20.292 -0.778 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.773 -19.977 -2.411 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.665 -21.579 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.510 -19.730 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.050 -20.848 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.289 -19.845 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.285 -21.645 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.322 -22.546 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.588 -23.833 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.566 -22.411 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.860 -22.170 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.536 -22.679 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.124 -24.416 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.800 -24.960 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.176 -24.467 2.005 1.00 0.00 H new ATOM 25 N CYS A 2 -6.211 -21.593 -4.208 1.00 0.00 N ATOM 26 CA CYS A 2 -5.876 -22.725 -5.118 1.00 0.00 C ATOM 27 C CYS A 2 -4.509 -23.319 -4.754 1.00 0.00 C ATOM 28 O CYS A 2 -4.300 -24.512 -4.837 1.00 0.00 O ATOM 29 CB CYS A 2 -5.850 -22.114 -6.523 1.00 0.00 C ATOM 30 SG CYS A 2 -4.320 -21.171 -6.763 1.00 0.00 S ATOM 0 H CYS A 2 -6.210 -20.670 -4.643 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.597 -23.539 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.922 -22.902 -7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.713 -21.463 -6.661 1.00 0.00 H new ATOM 35 N ASN A 3 -3.577 -22.493 -4.358 1.00 0.00 N ATOM 36 CA ASN A 3 -2.228 -23.016 -4.001 1.00 0.00 C ATOM 37 C ASN A 3 -1.675 -22.292 -2.769 1.00 0.00 C ATOM 38 O ASN A 3 -1.558 -22.864 -1.702 1.00 0.00 O ATOM 39 CB ASN A 3 -1.359 -22.730 -5.226 1.00 0.00 C ATOM 40 CG ASN A 3 -0.051 -23.514 -5.116 1.00 0.00 C ATOM 41 OD1 ASN A 3 0.488 -23.673 -4.039 1.00 0.00 O ATOM 42 ND2 ASN A 3 0.487 -24.014 -6.195 1.00 0.00 N ATOM 0 H ASN A 3 -3.692 -21.484 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.253 -24.077 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.889 -23.012 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.151 -21.662 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.360 -24.538 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.035 -23.881 -7.099 1.00 0.00 H new ATOM 49 N THR A 4 -1.322 -21.041 -2.907 1.00 0.00 N ATOM 50 CA THR A 4 -0.767 -20.292 -1.742 1.00 0.00 C ATOM 51 C THR A 4 -1.720 -19.171 -1.316 1.00 0.00 C ATOM 52 O THR A 4 -2.898 -19.195 -1.619 1.00 0.00 O ATOM 53 CB THR A 4 0.557 -19.714 -2.244 1.00 0.00 C ATOM 54 OG1 THR A 4 0.332 -18.986 -3.443 1.00 0.00 O ATOM 55 CG2 THR A 4 1.541 -20.854 -2.516 1.00 0.00 C ATOM 0 H THR A 4 -1.394 -20.507 -3.773 1.00 0.00 H new ATOM 0 HA THR A 4 -0.632 -20.931 -0.869 1.00 0.00 H new ATOM 0 HB THR A 4 0.973 -19.048 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.287 -18.028 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.485 -20.442 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.714 -21.412 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.126 -21.520 -3.272 1.00 0.00 H new ATOM 63 N ALA A 5 -1.222 -18.193 -0.606 1.00 0.00 N ATOM 64 CA ALA A 5 -2.102 -17.075 -0.151 1.00 0.00 C ATOM 65 C ALA A 5 -2.443 -16.146 -1.305 1.00 0.00 C ATOM 66 O ALA A 5 -3.577 -15.790 -1.503 1.00 0.00 O ATOM 67 CB ALA A 5 -1.284 -16.300 0.874 1.00 0.00 C ATOM 0 H ALA A 5 -0.245 -18.120 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.038 -17.460 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.871 -15.463 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.019 -16.958 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.375 -15.924 0.405 1.00 0.00 H new ATOM 73 N THR A 6 -1.463 -15.730 -2.048 1.00 0.00 N ATOM 74 CA THR A 6 -1.726 -14.784 -3.168 1.00 0.00 C ATOM 75 C THR A 6 -2.852 -15.298 -4.064 1.00 0.00 C ATOM 76 O THR A 6 -3.760 -14.563 -4.397 1.00 0.00 O ATOM 77 CB THR A 6 -0.400 -14.722 -3.920 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.107 -16.005 -4.457 1.00 0.00 O ATOM 79 CG2 THR A 6 0.705 -14.308 -2.946 1.00 0.00 C ATOM 0 H THR A 6 -0.487 -16.003 -1.931 1.00 0.00 H new ATOM 0 HA THR A 6 -2.052 -13.803 -2.823 1.00 0.00 H new ATOM 0 HB THR A 6 -0.464 -13.996 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.744 -15.970 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.657 -14.261 -3.475 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.473 -13.328 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.773 -15.039 -2.141 1.00 0.00 H new ATOM 87 N CYS A 7 -2.837 -16.544 -4.443 1.00 0.00 N ATOM 88 CA CYS A 7 -3.957 -17.041 -5.286 1.00 0.00 C ATOM 89 C CYS A 7 -5.266 -16.632 -4.612 1.00 0.00 C ATOM 90 O CYS A 7 -6.162 -16.091 -5.229 1.00 0.00 O ATOM 91 CB CYS A 7 -3.810 -18.562 -5.313 1.00 0.00 C ATOM 92 SG CYS A 7 -4.892 -19.241 -6.597 1.00 0.00 S ATOM 0 H CYS A 7 -2.115 -17.227 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.949 -16.639 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.774 -18.836 -5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.070 -18.982 -4.341 1.00 0.00 H new ATOM 97 N ALA A 8 -5.355 -16.867 -3.332 1.00 0.00 N ATOM 98 CA ALA A 8 -6.572 -16.479 -2.562 1.00 0.00 C ATOM 99 C ALA A 8 -6.569 -14.978 -2.323 1.00 0.00 C ATOM 100 O ALA A 8 -7.500 -14.266 -2.628 1.00 0.00 O ATOM 101 CB ALA A 8 -6.376 -17.162 -1.219 1.00 0.00 C ATOM 0 H ALA A 8 -4.626 -17.318 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.495 -16.750 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.223 -16.939 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.305 -18.240 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.459 -16.798 -0.756 1.00 0.00 H new ATOM 107 N THR A 9 -5.494 -14.528 -1.763 1.00 0.00 N ATOM 108 CA THR A 9 -5.304 -13.101 -1.443 1.00 0.00 C ATOM 109 C THR A 9 -5.468 -12.250 -2.704 1.00 0.00 C ATOM 110 O THR A 9 -5.652 -11.052 -2.654 1.00 0.00 O ATOM 111 CB THR A 9 -3.879 -13.058 -0.902 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.883 -13.483 0.457 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.299 -11.643 -0.990 1.00 0.00 C ATOM 0 H THR A 9 -4.705 -15.120 -1.503 1.00 0.00 H new ATOM 0 HA THR A 9 -6.028 -12.704 -0.732 1.00 0.00 H new ATOM 0 HB THR A 9 -3.258 -13.721 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.969 -13.459 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.282 -11.642 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.287 -11.319 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.915 -10.960 -0.405 1.00 0.00 H new ATOM 121 N GLN A 10 -5.392 -12.855 -3.843 1.00 0.00 N ATOM 122 CA GLN A 10 -5.532 -12.060 -5.082 1.00 0.00 C ATOM 123 C GLN A 10 -6.795 -11.206 -4.975 1.00 0.00 C ATOM 124 O GLN A 10 -6.856 -10.103 -5.482 1.00 0.00 O ATOM 125 CB GLN A 10 -5.659 -13.080 -6.211 1.00 0.00 C ATOM 126 CG GLN A 10 -4.956 -12.548 -7.462 1.00 0.00 C ATOM 127 CD GLN A 10 -3.691 -13.366 -7.726 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.766 -14.497 -8.162 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.523 -12.840 -7.479 1.00 0.00 N ATOM 0 H GLN A 10 -5.241 -13.855 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.689 -11.391 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.217 -14.029 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.710 -13.272 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.625 -12.607 -8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.700 -11.497 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.459 -11.890 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.674 -13.379 -7.652 1.00 0.00 H new ATOM 138 N ARG A 11 -7.799 -11.701 -4.303 1.00 0.00 N ATOM 139 CA ARG A 11 -9.048 -10.903 -4.151 1.00 0.00 C ATOM 140 C ARG A 11 -8.918 -9.917 -2.979 1.00 0.00 C ATOM 141 O ARG A 11 -9.265 -8.762 -3.102 1.00 0.00 O ATOM 142 CB ARG A 11 -10.179 -11.915 -3.903 1.00 0.00 C ATOM 143 CG ARG A 11 -9.819 -12.877 -2.766 1.00 0.00 C ATOM 144 CD ARG A 11 -10.767 -12.649 -1.587 1.00 0.00 C ATOM 145 NE ARG A 11 -11.309 -13.997 -1.256 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.529 -14.910 -0.740 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.266 -14.655 -0.530 1.00 0.00 N ATOM 148 NH2 ARG A 11 -11.015 -16.083 -0.435 1.00 0.00 N ATOM 0 H ARG A 11 -7.808 -12.618 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.251 -10.306 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.099 -11.384 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.372 -12.480 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.892 -13.908 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.787 -12.718 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.241 -12.216 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.566 -11.957 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.291 -14.208 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.884 -13.740 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.661 -15.371 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.001 -16.285 -0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.408 -16.797 -0.032 1.00 0.00 H new ATOM 162 N LEU A 12 -8.419 -10.350 -1.848 1.00 0.00 N ATOM 163 CA LEU A 12 -8.274 -9.415 -0.695 1.00 0.00 C ATOM 164 C LEU A 12 -7.107 -8.501 -0.901 1.00 0.00 C ATOM 165 O LEU A 12 -7.056 -7.426 -0.345 1.00 0.00 O ATOM 166 CB LEU A 12 -8.157 -10.304 0.564 1.00 0.00 C ATOM 167 CG LEU A 12 -6.724 -10.372 1.139 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.748 -10.765 0.064 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.280 -9.041 1.694 1.00 0.00 C ATOM 0 H LEU A 12 -8.108 -11.306 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.129 -8.748 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.830 -9.923 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.490 -11.313 0.319 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.742 -11.112 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.743 -10.809 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.019 -11.743 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.774 -10.028 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.268 -9.131 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.296 -8.293 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.955 -8.737 2.494 1.00 0.00 H new ATOM 181 N ALA A 13 -6.178 -8.878 -1.707 1.00 0.00 N ATOM 182 CA ALA A 13 -5.045 -7.971 -1.939 1.00 0.00 C ATOM 183 C ALA A 13 -5.601 -6.579 -2.090 1.00 0.00 C ATOM 184 O ALA A 13 -5.106 -5.619 -1.549 1.00 0.00 O ATOM 185 CB ALA A 13 -4.467 -8.437 -3.254 1.00 0.00 C ATOM 0 H ALA A 13 -6.152 -9.764 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.302 -7.969 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.610 -7.817 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.149 -9.476 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.224 -8.355 -4.034 1.00 0.00 H new ATOM 191 N ASN A 14 -6.691 -6.533 -2.779 1.00 0.00 N ATOM 192 CA ASN A 14 -7.432 -5.283 -3.004 1.00 0.00 C ATOM 193 C ASN A 14 -7.825 -4.661 -1.669 1.00 0.00 C ATOM 194 O ASN A 14 -7.636 -3.489 -1.415 1.00 0.00 O ATOM 195 CB ASN A 14 -8.681 -5.787 -3.710 1.00 0.00 C ATOM 196 CG ASN A 14 -8.379 -6.067 -5.178 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.143 -5.161 -5.951 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.379 -7.305 -5.592 1.00 0.00 N ATOM 0 H ASN A 14 -7.116 -7.351 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.871 -4.528 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.040 -6.695 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.477 -5.047 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.180 -7.516 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.578 -8.062 -4.938 1.00 0.00 H new ATOM 205 N PHE A 15 -8.377 -5.474 -0.825 1.00 0.00 N ATOM 206 CA PHE A 15 -8.821 -5.029 0.519 1.00 0.00 C ATOM 207 C PHE A 15 -7.658 -4.349 1.230 1.00 0.00 C ATOM 208 O PHE A 15 -7.822 -3.423 2.000 1.00 0.00 O ATOM 209 CB PHE A 15 -9.250 -6.366 1.165 1.00 0.00 C ATOM 210 CG PHE A 15 -8.763 -6.572 2.581 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.686 -5.528 3.496 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.434 -7.864 2.976 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.266 -5.786 4.807 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.022 -8.133 4.274 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.935 -7.091 5.199 1.00 0.00 C ATOM 0 H PHE A 15 -8.545 -6.462 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.625 -4.293 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.338 -6.424 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.884 -7.186 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.949 -4.524 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.500 -8.671 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.197 -4.977 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.770 -9.142 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.614 -7.289 6.211 1.00 0.00 H new ATOM 225 N LEU A 16 -6.486 -4.817 0.977 1.00 0.00 N ATOM 226 CA LEU A 16 -5.285 -4.252 1.633 1.00 0.00 C ATOM 227 C LEU A 16 -4.598 -3.184 0.783 1.00 0.00 C ATOM 228 O LEU A 16 -4.268 -2.118 1.263 1.00 0.00 O ATOM 229 CB LEU A 16 -4.414 -5.482 1.755 1.00 0.00 C ATOM 230 CG LEU A 16 -5.095 -6.458 2.694 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.163 -7.632 2.993 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.466 -5.749 3.997 1.00 0.00 C ATOM 0 H LEU A 16 -6.299 -5.583 0.330 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.504 -3.745 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.263 -5.939 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.429 -5.213 2.136 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.001 -6.835 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.660 -8.328 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.913 -8.144 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.250 -7.262 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.955 -6.455 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.563 -5.363 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.144 -4.923 3.782 1.00 0.00 H new ATOM 244 N VAL A 17 -4.371 -3.455 -0.465 1.00 0.00 N ATOM 245 CA VAL A 17 -3.696 -2.448 -1.323 1.00 0.00 C ATOM 246 C VAL A 17 -4.634 -1.267 -1.525 1.00 0.00 C ATOM 247 O VAL A 17 -4.219 -0.126 -1.567 1.00 0.00 O ATOM 248 CB VAL A 17 -3.385 -3.183 -2.623 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.348 -4.268 -2.326 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.653 -3.841 -3.166 1.00 0.00 C ATOM 0 H VAL A 17 -4.622 -4.328 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.780 -2.043 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.004 -2.479 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.111 -4.806 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.442 -3.807 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.751 -4.965 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.423 -4.364 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.036 -4.552 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.406 -3.077 -3.357 1.00 0.00 H new ATOM 260 N ARG A 18 -5.903 -1.533 -1.603 1.00 0.00 N ATOM 261 CA ARG A 18 -6.879 -0.433 -1.745 1.00 0.00 C ATOM 262 C ARG A 18 -7.051 0.220 -0.376 1.00 0.00 C ATOM 263 O ARG A 18 -7.480 1.350 -0.255 1.00 0.00 O ATOM 264 CB ARG A 18 -8.169 -1.113 -2.191 1.00 0.00 C ATOM 265 CG ARG A 18 -9.129 -0.063 -2.755 1.00 0.00 C ATOM 266 CD ARG A 18 -10.573 -0.459 -2.437 1.00 0.00 C ATOM 267 NE ARG A 18 -11.321 -0.214 -3.702 1.00 0.00 N ATOM 268 CZ ARG A 18 -11.661 1.001 -4.041 1.00 0.00 C ATOM 269 NH1 ARG A 18 -11.349 2.011 -3.271 1.00 0.00 N ATOM 270 NH2 ARG A 18 -12.313 1.207 -5.153 1.00 0.00 N ATOM 0 H ARG A 18 -6.305 -2.470 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.578 0.338 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.953 -1.867 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.631 -1.629 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.907 0.914 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.995 0.024 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.639 -1.504 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.975 0.137 -1.618 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.569 -0.998 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.838 1.852 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.616 2.958 -3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.556 0.420 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.580 2.155 -5.420 1.00 0.00 H new ATOM 284 N SER A 19 -6.697 -0.497 0.660 1.00 0.00 N ATOM 285 CA SER A 19 -6.811 0.057 2.034 1.00 0.00 C ATOM 286 C SER A 19 -6.125 1.422 2.093 1.00 0.00 C ATOM 287 O SER A 19 -6.442 2.257 2.915 1.00 0.00 O ATOM 288 CB SER A 19 -6.082 -0.947 2.927 1.00 0.00 C ATOM 289 OG SER A 19 -6.566 -0.828 4.258 1.00 0.00 O ATOM 0 H SER A 19 -6.332 -1.448 0.608 1.00 0.00 H new ATOM 0 HA SER A 19 -7.846 0.198 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.241 -1.961 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.008 -0.763 2.900 1.00 0.00 H new ATOM 0 HG SER A 19 -6.102 -1.471 4.834 1.00 0.00 H new ATOM 295 N SER A 20 -5.181 1.649 1.218 1.00 0.00 N ATOM 296 CA SER A 20 -4.463 2.953 1.209 1.00 0.00 C ATOM 297 C SER A 20 -5.464 4.106 1.096 1.00 0.00 C ATOM 298 O SER A 20 -5.166 5.234 1.436 1.00 0.00 O ATOM 299 CB SER A 20 -3.565 2.900 -0.028 1.00 0.00 C ATOM 300 OG SER A 20 -3.144 4.216 -0.360 1.00 0.00 O ATOM 0 H SER A 20 -4.877 0.984 0.507 1.00 0.00 H new ATOM 0 HA SER A 20 -3.891 3.117 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.699 2.267 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.105 2.457 -0.865 1.00 0.00 H new ATOM 0 HG SER A 20 -2.567 4.185 -1.152 1.00 0.00 H new ATOM 306 N ASN A 21 -6.648 3.831 0.620 1.00 0.00 N ATOM 307 CA ASN A 21 -7.667 4.912 0.483 1.00 0.00 C ATOM 308 C ASN A 21 -7.658 5.806 1.725 1.00 0.00 C ATOM 309 O ASN A 21 -7.274 6.957 1.670 1.00 0.00 O ATOM 310 CB ASN A 21 -9.006 4.184 0.355 1.00 0.00 C ATOM 311 CG ASN A 21 -9.968 5.030 -0.483 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.370 4.629 -1.557 1.00 0.00 O ATOM 313 ND2 ASN A 21 -10.358 6.191 -0.033 1.00 0.00 N ATOM 0 H ASN A 21 -6.954 2.905 0.320 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.472 5.556 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.860 3.210 -0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.430 4.003 1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.000 6.762 -0.583 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.021 6.528 0.869 1.00 0.00 H new ATOM 320 N ASN A 22 -8.078 5.286 2.846 1.00 0.00 N ATOM 321 CA ASN A 22 -8.091 6.111 4.089 1.00 0.00 C ATOM 322 C ASN A 22 -6.659 6.431 4.522 1.00 0.00 C ATOM 323 O ASN A 22 -6.397 7.448 5.135 1.00 0.00 O ATOM 324 CB ASN A 22 -8.787 5.242 5.136 1.00 0.00 C ATOM 325 CG ASN A 22 -9.619 6.129 6.065 1.00 0.00 C ATOM 326 OD1 ASN A 22 -10.674 5.733 6.518 1.00 0.00 O ATOM 327 ND2 ASN A 22 -9.184 7.321 6.368 1.00 0.00 N ATOM 0 H ASN A 22 -8.412 4.328 2.956 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.602 7.064 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.427 4.508 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.047 4.686 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.730 7.921 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.298 7.653 5.987 1.00 0.00 H new ATOM 334 N LEU A 23 -5.729 5.572 4.207 1.00 0.00 N ATOM 335 CA LEU A 23 -4.313 5.829 4.600 1.00 0.00 C ATOM 336 C LEU A 23 -3.865 7.198 4.084 1.00 0.00 C ATOM 337 O LEU A 23 -3.588 8.101 4.849 1.00 0.00 O ATOM 338 CB LEU A 23 -3.508 4.713 3.934 1.00 0.00 C ATOM 339 CG LEU A 23 -2.245 4.437 4.751 1.00 0.00 C ATOM 340 CD1 LEU A 23 -2.579 3.491 5.905 1.00 0.00 C ATOM 341 CD2 LEU A 23 -1.189 3.789 3.853 1.00 0.00 C ATOM 0 H LEU A 23 -5.887 4.704 3.695 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.178 5.837 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.112 3.808 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.241 5.000 2.917 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.859 5.375 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.678 3.295 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.332 3.950 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.965 2.553 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.288 3.592 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.576 2.851 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.949 4.462 3.030 1.00 0.00 H new ATOM 353 N GLY A 24 -3.794 7.361 2.791 1.00 0.00 N ATOM 354 CA GLY A 24 -3.365 8.671 2.226 1.00 0.00 C ATOM 355 C GLY A 24 -1.939 8.984 2.679 1.00 0.00 C ATOM 356 O GLY A 24 -1.735 9.755 3.594 1.00 0.00 O ATOM 0 H GLY A 24 -4.015 6.643 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.413 8.642 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.043 9.459 2.554 1.00 0.00 H new ATOM 360 N PRO A 25 -0.996 8.370 2.017 1.00 0.00 N ATOM 361 CA PRO A 25 0.431 8.587 2.356 1.00 0.00 C ATOM 362 C PRO A 25 0.756 10.082 2.346 1.00 0.00 C ATOM 363 O PRO A 25 0.535 10.767 1.368 1.00 0.00 O ATOM 364 CB PRO A 25 1.188 7.854 1.250 1.00 0.00 C ATOM 365 CG PRO A 25 0.211 6.872 0.682 1.00 0.00 C ATOM 366 CD PRO A 25 -1.169 7.431 0.906 1.00 0.00 C ATOM 0 HA PRO A 25 0.695 8.224 3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.536 8.549 0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.069 7.348 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.395 6.718 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.316 5.902 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.546 7.933 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.882 6.645 1.155 1.00 0.00 H new ATOM 374 N VAL A 26 1.273 10.593 3.431 1.00 0.00 N ATOM 375 CA VAL A 26 1.611 12.048 3.493 1.00 0.00 C ATOM 376 C VAL A 26 0.329 12.889 3.528 1.00 0.00 C ATOM 377 O VAL A 26 0.123 13.683 4.423 1.00 0.00 O ATOM 378 CB VAL A 26 2.411 12.343 2.221 1.00 0.00 C ATOM 379 CG1 VAL A 26 3.231 13.619 2.423 1.00 0.00 C ATOM 380 CG2 VAL A 26 3.358 11.176 1.919 1.00 0.00 C ATOM 0 H VAL A 26 1.477 10.066 4.280 1.00 0.00 H new ATOM 0 HA VAL A 26 2.181 12.293 4.389 1.00 0.00 H new ATOM 0 HB VAL A 26 1.723 12.474 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.802 13.832 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.561 14.453 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.915 13.483 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.924 11.392 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.046 11.041 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.778 10.264 1.776 1.00 0.00 H new ATOM 390 N LEU A 27 -0.532 12.720 2.560 1.00 0.00 N ATOM 391 CA LEU A 27 -1.800 13.509 2.538 1.00 0.00 C ATOM 392 C LEU A 27 -1.500 14.985 2.266 1.00 0.00 C ATOM 393 O LEU A 27 -1.105 15.713 3.155 1.00 0.00 O ATOM 394 CB LEU A 27 -2.405 13.335 3.932 1.00 0.00 C ATOM 395 CG LEU A 27 -3.928 13.443 3.844 1.00 0.00 C ATOM 396 CD1 LEU A 27 -4.483 12.229 3.098 1.00 0.00 C ATOM 397 CD2 LEU A 27 -4.515 13.489 5.257 1.00 0.00 C ATOM 0 H LEU A 27 -0.413 12.070 1.783 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.479 13.172 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.122 12.367 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.014 14.096 4.607 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.200 14.352 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.568 12.306 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.063 12.196 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.214 11.319 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.601 13.566 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.245 12.579 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.118 14.354 5.788 1.00 0.00 H new ATOM 409 N PRO A 28 -1.701 15.377 1.037 1.00 0.00 N ATOM 410 CA PRO A 28 -1.451 16.777 0.637 1.00 0.00 C ATOM 411 C PRO A 28 -2.378 17.714 1.409 1.00 0.00 C ATOM 412 O PRO A 28 -1.960 18.768 1.845 1.00 0.00 O ATOM 413 CB PRO A 28 -1.770 16.807 -0.860 1.00 0.00 C ATOM 414 CG PRO A 28 -1.810 15.374 -1.290 1.00 0.00 C ATOM 415 CD PRO A 28 -2.173 14.563 -0.080 1.00 0.00 C ATOM 0 HA PRO A 28 -0.432 17.103 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.724 17.300 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.011 17.361 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.542 15.230 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.844 15.063 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.247 14.389 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.692 13.585 -0.094 1.00 0.00 H new ATOM 423 N PRO A 29 -3.615 17.307 1.558 1.00 0.00 N ATOM 424 CA PRO A 29 -4.582 18.138 2.280 1.00 0.00 C ATOM 425 C PRO A 29 -3.956 18.735 3.544 1.00 0.00 C ATOM 426 O PRO A 29 -3.322 18.046 4.319 1.00 0.00 O ATOM 427 CB PRO A 29 -5.698 17.160 2.622 1.00 0.00 C ATOM 428 CG PRO A 29 -5.673 16.179 1.504 1.00 0.00 C ATOM 429 CD PRO A 29 -4.235 16.063 1.076 1.00 0.00 C ATOM 0 HA PRO A 29 -4.932 18.992 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.523 16.675 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.663 17.663 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.062 15.213 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.299 16.515 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.759 15.185 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.148 15.968 -0.006 1.00 0.00 H new ATOM 437 N THR A 30 -4.126 20.011 3.760 1.00 0.00 N ATOM 438 CA THR A 30 -3.537 20.645 4.976 1.00 0.00 C ATOM 439 C THR A 30 -4.536 20.598 6.134 1.00 0.00 C ATOM 440 O THR A 30 -5.540 19.915 6.076 1.00 0.00 O ATOM 441 CB THR A 30 -3.252 22.092 4.574 1.00 0.00 C ATOM 442 OG1 THR A 30 -4.415 22.657 3.986 1.00 0.00 O ATOM 443 CG2 THR A 30 -2.100 22.128 3.570 1.00 0.00 C ATOM 0 H THR A 30 -4.646 20.641 3.149 1.00 0.00 H new ATOM 0 HA THR A 30 -2.636 20.131 5.312 1.00 0.00 H new ATOM 0 HB THR A 30 -2.977 22.667 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.234 23.585 3.729 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.898 23.160 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.208 21.696 4.024 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.371 21.553 2.684 1.00 0.00 H new ATOM 451 N ASN A 31 -4.269 21.324 7.186 1.00 0.00 N ATOM 452 CA ASN A 31 -5.202 21.324 8.349 1.00 0.00 C ATOM 453 C ASN A 31 -4.925 22.534 9.244 1.00 0.00 C ATOM 454 O ASN A 31 -3.797 22.813 9.596 1.00 0.00 O ATOM 455 CB ASN A 31 -4.905 20.024 9.095 1.00 0.00 C ATOM 456 CG ASN A 31 -3.486 20.077 9.664 1.00 0.00 C ATOM 457 OD1 ASN A 31 -3.285 20.483 10.791 1.00 0.00 O ATOM 458 ND2 ASN A 31 -2.485 19.685 8.923 1.00 0.00 N ATOM 0 H ASN A 31 -3.446 21.917 7.290 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.246 21.387 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.626 19.881 9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.007 19.174 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.534 19.720 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.654 19.344 7.977 1.00 0.00 H new ATOM 465 N VAL A 32 -5.946 23.256 9.614 1.00 0.00 N ATOM 466 CA VAL A 32 -5.739 24.447 10.486 1.00 0.00 C ATOM 467 C VAL A 32 -5.849 24.050 11.959 1.00 0.00 C ATOM 468 O VAL A 32 -4.936 24.250 12.736 1.00 0.00 O ATOM 469 CB VAL A 32 -6.858 25.417 10.107 1.00 0.00 C ATOM 470 CG1 VAL A 32 -6.651 26.745 10.839 1.00 0.00 C ATOM 471 CG2 VAL A 32 -6.831 25.658 8.595 1.00 0.00 C ATOM 0 H VAL A 32 -6.914 23.073 9.351 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.753 24.891 10.350 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.821 24.992 10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.449 27.437 10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.668 26.574 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.689 27.171 10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.628 26.350 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.869 26.084 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.977 24.712 8.073 1.00 0.00 H new ATOM 481 N GLY A 33 -6.960 23.487 12.349 1.00 0.00 N ATOM 482 CA GLY A 33 -7.125 23.077 13.772 1.00 0.00 C ATOM 483 C GLY A 33 -6.449 21.724 13.994 1.00 0.00 C ATOM 484 O GLY A 33 -6.736 20.756 13.318 1.00 0.00 O ATOM 0 H GLY A 33 -7.759 23.294 11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.687 23.827 14.431 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.184 23.012 14.022 1.00 0.00 H new ATOM 488 N SER A 34 -5.551 21.647 14.937 1.00 0.00 N ATOM 489 CA SER A 34 -4.857 20.354 15.202 1.00 0.00 C ATOM 490 C SER A 34 -5.850 19.320 15.738 1.00 0.00 C ATOM 491 O SER A 34 -5.535 18.155 15.874 1.00 0.00 O ATOM 492 CB SER A 34 -3.798 20.680 16.256 1.00 0.00 C ATOM 493 OG SER A 34 -4.110 21.924 16.869 1.00 0.00 O ATOM 0 H SER A 34 -5.267 22.423 15.536 1.00 0.00 H new ATOM 0 HA SER A 34 -4.416 19.930 14.300 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.761 19.891 17.007 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.812 20.727 15.794 1.00 0.00 H new ATOM 0 HG SER A 34 -3.433 22.134 17.546 1.00 0.00 H new ATOM 499 N ASN A 35 -7.048 19.737 16.042 1.00 0.00 N ATOM 500 CA ASN A 35 -8.061 18.779 16.568 1.00 0.00 C ATOM 501 C ASN A 35 -9.449 19.129 16.025 1.00 0.00 C ATOM 502 O ASN A 35 -10.432 19.099 16.738 1.00 0.00 O ATOM 503 CB ASN A 35 -8.019 18.947 18.088 1.00 0.00 C ATOM 504 CG ASN A 35 -8.379 20.388 18.456 1.00 0.00 C ATOM 505 OD1 ASN A 35 -9.015 21.082 17.689 1.00 0.00 O ATOM 506 ND2 ASN A 35 -7.996 20.868 19.608 1.00 0.00 N ATOM 0 H ASN A 35 -7.370 20.700 15.949 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.852 17.752 16.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.717 18.255 18.560 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.025 18.703 18.464 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.231 21.827 19.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.462 20.284 20.252 1.00 0.00 H new ATOM 513 N THR A 36 -9.536 19.459 14.765 1.00 0.00 N ATOM 514 CA THR A 36 -10.859 19.811 14.175 1.00 0.00 C ATOM 515 C THR A 36 -11.556 18.551 13.652 1.00 0.00 C ATOM 516 O THR A 36 -12.513 18.075 14.229 1.00 0.00 O ATOM 517 CB THR A 36 -10.538 20.764 13.023 1.00 0.00 C ATOM 518 OG1 THR A 36 -10.112 22.013 13.549 1.00 0.00 O ATOM 519 CG2 THR A 36 -11.787 20.971 12.165 1.00 0.00 C ATOM 0 H THR A 36 -8.748 19.500 14.119 1.00 0.00 H new ATOM 0 HA THR A 36 -11.529 20.265 14.904 1.00 0.00 H new ATOM 0 HB THR A 36 -9.745 20.337 12.409 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.904 22.625 12.812 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.556 21.650 11.345 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.114 20.013 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.582 21.398 12.777 1.00 0.00 H new ATOM 527 N TYR A 37 -11.083 18.007 12.564 1.00 0.00 N ATOM 528 CA TYR A 37 -11.721 16.779 12.009 1.00 0.00 C ATOM 529 C TYR A 37 -11.765 15.679 13.074 1.00 0.00 C ATOM 530 O TYR A 37 -10.956 15.656 13.981 1.00 0.00 O ATOM 531 CB TYR A 37 -10.825 16.360 10.841 1.00 0.00 C ATOM 532 CG TYR A 37 -10.726 17.492 9.846 1.00 0.00 C ATOM 533 CD1 TYR A 37 -11.852 18.273 9.554 1.00 0.00 C ATOM 534 CD2 TYR A 37 -9.507 17.760 9.211 1.00 0.00 C ATOM 535 CE1 TYR A 37 -11.757 19.321 8.630 1.00 0.00 C ATOM 536 CE2 TYR A 37 -9.412 18.806 8.287 1.00 0.00 C ATOM 537 CZ TYR A 37 -10.537 19.588 7.996 1.00 0.00 C ATOM 538 OH TYR A 37 -10.442 20.620 7.085 1.00 0.00 O ATOM 0 H TYR A 37 -10.284 18.359 12.036 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.749 16.955 11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -9.833 16.097 11.207 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.232 15.472 10.357 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.793 18.067 10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.639 17.158 9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.625 19.924 8.406 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.471 19.011 7.798 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.526 20.668 6.740 1.00 0.00 H new HETATM 548 N NH2 A 38 -12.686 14.757 13.003 1.00 0.00 N TER 551 NH2 A 38