USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 428 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 21 ASN : amide:sc= 0.652 K(o=-2.7,f=-6) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.39! C(o=-2.7!,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0702 K(o=-0.07,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 167:sc= -9.68! (180deg=-10.2!) USER MOD Single : A 23 ASN : amide:sc= -2.18 K(o=-2.2,f=-8.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.45 F(o=-1.4,f=-0.45) USER MOD Single : A 32 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.58) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0146 F(o=-0.82,f=-0.015) USER MOD Single : A 41 SER OG : rot -83:sc= -1.07 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.065 F(o=-1.3,f=-0.065) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.01 (180deg=-0.309) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.946 (180deg=-0.997) USER MOD Single : A 55 GLN : amide:sc= -4.96! C(o=-5!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.785 -13.332 9.180 1.00 0.00 N ATOM 46 CA LYS A 4 0.420 -12.816 8.526 1.00 0.00 C ATOM 47 C LYS A 4 0.164 -11.438 7.933 1.00 0.00 C ATOM 48 O LYS A 4 1.013 -10.878 7.233 1.00 0.00 O ATOM 49 CB LYS A 4 0.881 -13.773 7.420 1.00 0.00 C ATOM 50 CG LYS A 4 1.139 -15.169 8.010 1.00 0.00 C ATOM 51 CD LYS A 4 1.815 -16.069 6.963 1.00 0.00 C ATOM 52 CE LYS A 4 0.855 -16.339 5.797 1.00 0.00 C ATOM 53 NZ LYS A 4 1.346 -17.507 5.012 1.00 0.00 N ATOM 0 HA LYS A 4 1.203 -12.736 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.122 -13.833 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.789 -13.392 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.772 -15.087 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.198 -15.616 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.722 -15.591 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.115 -17.011 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.148 -16.537 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.786 -15.459 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.696 -17.692 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.295 -17.301 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.390 -18.345 5.627 1.00 0.00 H new ATOM 67 N PHE A 5 -1.023 -10.914 8.204 1.00 0.00 N ATOM 68 CA PHE A 5 -1.430 -9.620 7.690 1.00 0.00 C ATOM 69 C PHE A 5 -0.467 -8.506 8.050 1.00 0.00 C ATOM 70 O PHE A 5 0.002 -7.791 7.179 1.00 0.00 O ATOM 71 CB PHE A 5 -2.760 -9.232 8.318 1.00 0.00 C ATOM 72 CG PHE A 5 -3.922 -9.805 7.557 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.945 -11.164 7.212 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.990 -8.969 7.209 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.045 -11.678 6.511 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.082 -9.481 6.512 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.113 -10.831 6.162 1.00 0.00 C ATOM 0 H PHE A 5 -1.726 -11.373 8.783 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.475 -9.726 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.792 -9.583 9.349 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.845 -8.146 8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.123 -11.809 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.967 -7.924 7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.073 -12.723 6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.904 -8.834 6.243 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.960 -11.227 5.621 1.00 0.00 H new ATOM 87 N ASN A 6 -0.228 -8.326 9.345 1.00 0.00 N ATOM 88 CA ASN A 6 0.615 -7.229 9.796 1.00 0.00 C ATOM 89 C ASN A 6 1.974 -7.240 9.131 1.00 0.00 C ATOM 90 O ASN A 6 2.402 -6.218 8.618 1.00 0.00 O ATOM 91 CB ASN A 6 0.810 -7.309 11.303 1.00 0.00 C ATOM 92 CG ASN A 6 -0.534 -7.226 12.028 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.414 -6.462 11.630 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.744 -7.972 13.076 1.00 0.00 N ATOM 0 H ASN A 6 -0.600 -8.916 10.089 1.00 0.00 H new ATOM 0 HA ASN A 6 0.107 -6.304 9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.311 -8.242 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.458 -6.498 11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.637 -7.923 13.566 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.015 -8.605 13.406 1.00 0.00 H new ATOM 101 N LYS A 7 2.634 -8.391 9.111 1.00 0.00 N ATOM 102 CA LYS A 7 3.944 -8.483 8.483 1.00 0.00 C ATOM 103 C LYS A 7 3.859 -8.145 7.005 1.00 0.00 C ATOM 104 O LYS A 7 4.704 -7.425 6.481 1.00 0.00 O ATOM 105 CB LYS A 7 4.520 -9.890 8.684 1.00 0.00 C ATOM 106 CG LYS A 7 5.776 -10.115 7.811 1.00 0.00 C ATOM 107 CD LYS A 7 6.851 -9.045 8.088 1.00 0.00 C ATOM 108 CE LYS A 7 7.547 -9.333 9.416 1.00 0.00 C ATOM 109 NZ LYS A 7 8.206 -8.091 9.910 1.00 0.00 N ATOM 0 H LYS A 7 2.290 -9.261 9.516 1.00 0.00 H new ATOM 0 HA LYS A 7 4.609 -7.759 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.774 -10.034 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.763 -10.634 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.186 -11.105 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.498 -10.090 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.582 -9.035 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.393 -8.056 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.823 -9.690 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.286 -10.124 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.680 -8.286 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.908 -7.770 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.490 -7.349 10.047 1.00 0.00 H new ATOM 123 N GLU A 8 2.826 -8.649 6.346 1.00 0.00 N ATOM 124 CA GLU A 8 2.642 -8.385 4.932 1.00 0.00 C ATOM 125 C GLU A 8 2.302 -6.912 4.722 1.00 0.00 C ATOM 126 O GLU A 8 2.720 -6.292 3.744 1.00 0.00 O ATOM 127 CB GLU A 8 1.518 -9.292 4.415 1.00 0.00 C ATOM 128 CG GLU A 8 1.382 -9.159 2.902 1.00 0.00 C ATOM 129 CD GLU A 8 2.665 -9.618 2.205 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.832 -10.816 2.044 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.460 -8.765 1.841 1.00 0.00 O ATOM 0 H GLU A 8 2.108 -9.239 6.767 1.00 0.00 H new ATOM 0 HA GLU A 8 3.557 -8.597 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.728 -10.329 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.577 -9.026 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.539 -9.755 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.170 -8.122 2.640 1.00 0.00 H new ATOM 138 N ARG A 9 1.541 -6.380 5.669 1.00 0.00 N ATOM 139 CA ARG A 9 1.110 -5.000 5.658 1.00 0.00 C ATOM 140 C ARG A 9 2.232 -4.039 6.035 1.00 0.00 C ATOM 141 O ARG A 9 2.256 -2.937 5.530 1.00 0.00 O ATOM 142 CB ARG A 9 -0.095 -4.819 6.588 1.00 0.00 C ATOM 143 CG ARG A 9 -1.322 -5.494 5.950 1.00 0.00 C ATOM 144 CD ARG A 9 -2.554 -5.328 6.840 1.00 0.00 C ATOM 145 NE ARG A 9 -2.281 -5.834 8.183 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.004 -5.450 9.227 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.695 -4.360 9.867 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.021 -6.167 9.614 1.00 0.00 N ATOM 0 H ARG A 9 1.204 -6.907 6.475 1.00 0.00 H new ATOM 0 HA ARG A 9 0.816 -4.756 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.112 -5.258 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.290 -3.759 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.514 -5.058 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.120 -6.554 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.835 -4.276 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.399 -5.864 6.407 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.518 -6.497 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.897 -3.801 9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.251 -4.065 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.261 -7.023 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.577 -5.872 10.417 1.00 0.00 H new ATOM 162 N VAL A 10 3.145 -4.449 6.927 1.00 0.00 N ATOM 163 CA VAL A 10 4.252 -3.565 7.347 1.00 0.00 C ATOM 164 C VAL A 10 5.116 -3.282 6.150 1.00 0.00 C ATOM 165 O VAL A 10 5.504 -2.150 5.858 1.00 0.00 O ATOM 166 CB VAL A 10 5.191 -4.210 8.387 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.228 -3.165 8.845 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.424 -4.736 9.599 1.00 0.00 C ATOM 0 H VAL A 10 3.144 -5.369 7.367 1.00 0.00 H new ATOM 0 HA VAL A 10 3.788 -2.680 7.781 1.00 0.00 H new ATOM 0 HB VAL A 10 5.686 -5.059 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.896 -3.613 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.808 -2.828 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.714 -2.314 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.123 -5.182 10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.896 -3.913 10.081 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.705 -5.489 9.276 1.00 0.00 H new ATOM 178 N ILE A 11 5.423 -4.364 5.485 1.00 0.00 N ATOM 179 CA ILE A 11 6.247 -4.333 4.320 1.00 0.00 C ATOM 180 C ILE A 11 5.570 -3.497 3.250 1.00 0.00 C ATOM 181 O ILE A 11 6.185 -2.640 2.627 1.00 0.00 O ATOM 182 CB ILE A 11 6.431 -5.777 3.855 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.141 -6.579 4.968 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.252 -5.816 2.567 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.069 -8.078 4.653 1.00 0.00 C ATOM 0 H ILE A 11 5.102 -5.297 5.744 1.00 0.00 H new ATOM 0 HA ILE A 11 7.219 -3.886 4.528 1.00 0.00 H new ATOM 0 HB ILE A 11 5.457 -6.222 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.181 -6.264 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.671 -6.377 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.376 -6.850 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.735 -5.254 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.231 -5.372 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.571 -8.640 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.026 -8.388 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.559 -8.273 3.699 1.00 0.00 H new ATOM 197 N ALA A 12 4.292 -3.778 3.059 1.00 0.00 N ATOM 198 CA ALA A 12 3.481 -3.100 2.064 1.00 0.00 C ATOM 199 C ALA A 12 3.168 -1.651 2.423 1.00 0.00 C ATOM 200 O ALA A 12 3.326 -0.763 1.590 1.00 0.00 O ATOM 201 CB ALA A 12 2.194 -3.866 1.935 1.00 0.00 C ATOM 0 H ALA A 12 3.787 -4.486 3.592 1.00 0.00 H new ATOM 0 HA ALA A 12 4.043 -3.070 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.557 -3.384 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.408 -4.887 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.682 -3.882 2.897 1.00 0.00 H new ATOM 207 N ILE A 13 2.736 -1.408 3.660 1.00 0.00 N ATOM 208 CA ILE A 13 2.435 -0.056 4.089 1.00 0.00 C ATOM 209 C ILE A 13 3.709 0.752 3.989 1.00 0.00 C ATOM 210 O ILE A 13 3.703 1.900 3.582 1.00 0.00 O ATOM 211 CB ILE A 13 1.903 -0.047 5.537 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.361 1.357 5.865 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.023 -0.439 6.519 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.743 1.779 7.285 1.00 0.00 C ATOM 0 H ILE A 13 2.590 -2.125 4.371 1.00 0.00 H new ATOM 0 HA ILE A 13 1.660 0.375 3.455 1.00 0.00 H new ATOM 0 HB ILE A 13 1.098 -0.775 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.756 2.078 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.276 1.365 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.634 -0.429 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.384 -1.439 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.844 0.273 6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.347 2.774 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.326 1.070 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.829 1.794 7.380 1.00 0.00 H new ATOM 226 N GLY A 14 4.806 0.099 4.337 1.00 0.00 N ATOM 227 CA GLY A 14 6.104 0.709 4.275 1.00 0.00 C ATOM 228 C GLY A 14 6.445 1.018 2.825 1.00 0.00 C ATOM 229 O GLY A 14 7.044 2.055 2.530 1.00 0.00 O ATOM 0 H GLY A 14 4.811 -0.866 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.117 1.624 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.853 0.042 4.703 1.00 0.00 H new ATOM 233 N GLU A 15 6.036 0.117 1.911 1.00 0.00 N ATOM 234 CA GLU A 15 6.290 0.328 0.495 1.00 0.00 C ATOM 235 C GLU A 15 5.425 1.463 -0.035 1.00 0.00 C ATOM 236 O GLU A 15 5.891 2.331 -0.772 1.00 0.00 O ATOM 237 CB GLU A 15 5.915 -0.932 -0.295 1.00 0.00 C ATOM 238 CG GLU A 15 6.876 -2.085 0.005 1.00 0.00 C ATOM 239 CD GLU A 15 7.824 -2.297 -1.176 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.417 -2.939 -2.132 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.938 -1.803 -1.112 1.00 0.00 O ATOM 0 H GLU A 15 5.538 -0.745 2.134 1.00 0.00 H new ATOM 0 HA GLU A 15 7.347 0.565 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.897 -1.230 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.930 -0.712 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.448 -1.867 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.313 -2.998 0.198 1.00 0.00 H new ATOM 248 N ILE A 16 4.149 1.413 0.332 1.00 0.00 N ATOM 249 CA ILE A 16 3.179 2.400 -0.110 1.00 0.00 C ATOM 250 C ILE A 16 3.381 3.774 0.534 1.00 0.00 C ATOM 251 O ILE A 16 3.262 4.805 -0.128 1.00 0.00 O ATOM 252 CB ILE A 16 1.774 1.827 0.096 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.574 0.799 -1.022 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.666 2.903 0.028 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.413 -0.121 -0.710 1.00 0.00 C ATOM 0 H ILE A 16 3.763 0.691 0.940 1.00 0.00 H new ATOM 0 HA ILE A 16 3.325 2.593 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 16 1.697 1.390 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.392 1.313 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.484 0.212 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.306 2.434 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.836 3.649 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.686 3.385 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.292 -0.841 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.609 -0.651 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.499 0.466 -0.608 1.00 0.00 H new ATOM 267 N MET A 17 3.682 3.781 1.821 1.00 0.00 N ATOM 268 CA MET A 17 3.902 5.028 2.549 1.00 0.00 C ATOM 269 C MET A 17 5.121 5.775 1.985 1.00 0.00 C ATOM 270 O MET A 17 5.251 6.988 2.165 1.00 0.00 O ATOM 271 CB MET A 17 4.077 4.730 4.047 1.00 0.00 C ATOM 272 CG MET A 17 2.725 4.311 4.654 1.00 0.00 C ATOM 273 SD MET A 17 1.607 5.725 4.789 1.00 0.00 S ATOM 274 CE MET A 17 0.058 4.774 4.774 1.00 0.00 C ATOM 0 H MET A 17 3.781 2.939 2.388 1.00 0.00 H new ATOM 0 HA MET A 17 3.033 5.673 2.424 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.811 3.936 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.460 5.612 4.561 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.268 3.540 4.034 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.885 3.874 5.640 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.767 5.418 5.078 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.127 4.396 3.768 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.139 3.936 5.467 1.00 0.00 H new ATOM 284 N ARG A 18 5.998 5.039 1.289 1.00 0.00 N ATOM 285 CA ARG A 18 7.195 5.612 0.679 1.00 0.00 C ATOM 286 C ARG A 18 6.824 6.474 -0.529 1.00 0.00 C ATOM 287 O ARG A 18 7.484 7.471 -0.828 1.00 0.00 O ATOM 288 CB ARG A 18 8.103 4.457 0.240 1.00 0.00 C ATOM 289 CG ARG A 18 9.367 4.975 -0.453 1.00 0.00 C ATOM 290 CD ARG A 18 10.133 3.787 -1.038 1.00 0.00 C ATOM 291 NE ARG A 18 10.586 2.891 0.027 1.00 0.00 N ATOM 292 CZ ARG A 18 10.068 1.674 0.179 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.165 0.798 -0.780 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.465 1.358 1.288 1.00 0.00 N ATOM 0 H ARG A 18 5.895 4.036 1.136 1.00 0.00 H new ATOM 0 HA ARG A 18 7.709 6.249 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.381 3.860 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.558 3.800 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.103 5.679 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.993 5.514 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.494 3.241 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.990 4.145 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 18 11.315 3.206 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.638 1.044 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.768 -0.134 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.389 2.043 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.068 0.426 1.405 1.00 0.00 H new ATOM 308 N LEU A 19 5.777 6.040 -1.225 1.00 0.00 N ATOM 309 CA LEU A 19 5.286 6.701 -2.435 1.00 0.00 C ATOM 310 C LEU A 19 5.132 8.219 -2.259 1.00 0.00 C ATOM 311 O LEU A 19 4.235 8.681 -1.551 1.00 0.00 O ATOM 312 CB LEU A 19 3.950 6.073 -2.818 1.00 0.00 C ATOM 313 CG LEU A 19 4.120 4.545 -2.879 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.784 3.876 -3.162 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.130 4.188 -3.969 1.00 0.00 C ATOM 0 H LEU A 19 5.240 5.213 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 19 6.021 6.558 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.185 6.339 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.616 6.455 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 19 4.487 4.187 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.920 2.795 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.078 4.124 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.396 4.229 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.251 3.106 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.771 4.552 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.090 4.651 -3.741 1.00 0.00 H new ATOM 327 N PRO A 20 5.996 8.996 -2.893 1.00 0.00 N ATOM 328 CA PRO A 20 5.969 10.488 -2.811 1.00 0.00 C ATOM 329 C PRO A 20 4.891 11.124 -3.695 1.00 0.00 C ATOM 330 O PRO A 20 4.624 12.322 -3.573 1.00 0.00 O ATOM 331 CB PRO A 20 7.358 10.925 -3.315 1.00 0.00 C ATOM 332 CG PRO A 20 8.106 9.681 -3.689 1.00 0.00 C ATOM 333 CD PRO A 20 7.099 8.541 -3.753 1.00 0.00 C ATOM 0 HA PRO A 20 5.740 10.806 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.264 11.590 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.892 11.477 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.603 9.807 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.882 9.466 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.762 8.362 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.529 7.607 -3.391 1.00 0.00 H new ATOM 341 N ASN A 21 4.309 10.340 -4.611 1.00 0.00 N ATOM 342 CA ASN A 21 3.305 10.882 -5.537 1.00 0.00 C ATOM 343 C ASN A 21 1.886 10.431 -5.205 1.00 0.00 C ATOM 344 O ASN A 21 1.060 10.213 -6.098 1.00 0.00 O ATOM 345 CB ASN A 21 3.665 10.480 -6.964 1.00 0.00 C ATOM 346 CG ASN A 21 4.758 11.394 -7.513 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.680 12.616 -7.374 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.773 10.876 -8.136 1.00 0.00 N ATOM 0 H ASN A 21 4.510 9.347 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 21 3.318 11.967 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.004 9.444 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.781 10.537 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.505 11.480 -8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.839 9.865 -8.252 1.00 0.00 H new ATOM 355 N LEU A 22 1.600 10.319 -3.922 1.00 0.00 N ATOM 356 CA LEU A 22 0.273 9.928 -3.472 1.00 0.00 C ATOM 357 C LEU A 22 -0.183 10.811 -2.342 1.00 0.00 C ATOM 358 O LEU A 22 0.606 11.168 -1.463 1.00 0.00 O ATOM 359 CB LEU A 22 0.273 8.479 -2.992 1.00 0.00 C ATOM 360 CG LEU A 22 0.435 7.550 -4.187 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.847 6.164 -3.708 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.895 7.453 -4.927 1.00 0.00 C ATOM 0 H LEU A 22 2.268 10.493 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.408 10.033 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.084 8.320 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.657 8.258 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 22 1.203 7.944 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.962 5.502 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.794 6.231 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.081 5.766 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.787 6.789 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.657 7.057 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.193 8.444 -5.271 1.00 0.00 H new ATOM 374 N ASN A 23 -1.475 11.098 -2.326 1.00 0.00 N ATOM 375 CA ASN A 23 -2.036 11.870 -1.240 1.00 0.00 C ATOM 376 C ASN A 23 -2.205 10.905 -0.099 1.00 0.00 C ATOM 377 O ASN A 23 -2.276 9.693 -0.319 1.00 0.00 O ATOM 378 CB ASN A 23 -3.372 12.514 -1.637 1.00 0.00 C ATOM 379 CG ASN A 23 -4.211 11.546 -2.459 1.00 0.00 C ATOM 380 OD1 ASN A 23 -5.036 10.821 -1.910 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.043 11.491 -3.753 1.00 0.00 N ATOM 0 H ASN A 23 -2.142 10.811 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.384 12.699 -0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.920 12.809 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.188 13.422 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.598 10.844 -4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.356 12.095 -4.204 1.00 0.00 H new ATOM 388 N SER A 24 -2.229 11.419 1.108 1.00 0.00 N ATOM 389 CA SER A 24 -2.344 10.558 2.264 1.00 0.00 C ATOM 390 C SER A 24 -3.496 9.590 2.101 1.00 0.00 C ATOM 391 O SER A 24 -3.416 8.461 2.527 1.00 0.00 O ATOM 392 CB SER A 24 -2.609 11.382 3.499 1.00 0.00 C ATOM 393 OG SER A 24 -1.606 12.382 3.633 1.00 0.00 O ATOM 0 H SER A 24 -2.171 12.416 1.315 1.00 0.00 H new ATOM 0 HA SER A 24 -1.407 10.009 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.593 11.847 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.617 10.741 4.381 1.00 0.00 H new ATOM 0 HG SER A 24 -1.782 12.917 4.435 1.00 0.00 H new ATOM 399 N LEU A 25 -4.563 10.053 1.485 1.00 0.00 N ATOM 400 CA LEU A 25 -5.734 9.230 1.292 1.00 0.00 C ATOM 401 C LEU A 25 -5.441 8.081 0.361 1.00 0.00 C ATOM 402 O LEU A 25 -5.855 6.974 0.646 1.00 0.00 O ATOM 403 CB LEU A 25 -6.887 10.080 0.771 1.00 0.00 C ATOM 404 CG LEU A 25 -7.087 11.343 1.655 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.927 11.017 3.146 1.00 0.00 C ATOM 406 CD2 LEU A 25 -6.083 12.440 1.274 1.00 0.00 C ATOM 0 H LEU A 25 -4.642 10.998 1.109 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.023 8.805 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.688 10.379 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.803 9.490 0.760 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.102 11.698 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.073 11.923 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.667 10.272 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.926 10.624 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.242 13.314 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.068 12.069 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.225 12.717 0.229 1.00 0.00 H new ATOM 418 N GLN A 26 -4.690 8.323 -0.716 1.00 0.00 N ATOM 419 CA GLN A 26 -4.327 7.246 -1.612 1.00 0.00 C ATOM 420 C GLN A 26 -3.377 6.332 -0.895 1.00 0.00 C ATOM 421 O GLN A 26 -3.516 5.118 -0.913 1.00 0.00 O ATOM 422 CB GLN A 26 -3.647 7.788 -2.843 1.00 0.00 C ATOM 423 CG GLN A 26 -4.703 8.343 -3.792 1.00 0.00 C ATOM 424 CD GLN A 26 -5.447 7.200 -4.482 1.00 0.00 C ATOM 425 OE1 GLN A 26 -4.783 6.352 -5.218 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.662 7.074 -4.341 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.331 9.241 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.227 6.711 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.940 8.571 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.076 7.001 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.408 8.964 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.231 8.982 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.180 7.738 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.152 6.306 -4.800 1.00 0.00 H new ATOM 435 N VAL A 27 -2.438 6.965 -0.216 1.00 0.00 N ATOM 436 CA VAL A 27 -1.446 6.273 0.569 1.00 0.00 C ATOM 437 C VAL A 27 -2.169 5.389 1.572 1.00 0.00 C ATOM 438 O VAL A 27 -1.836 4.219 1.757 1.00 0.00 O ATOM 439 CB VAL A 27 -0.616 7.361 1.287 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.081 6.825 2.528 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.436 7.934 0.329 1.00 0.00 C ATOM 0 H VAL A 27 -2.346 7.981 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.792 5.645 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.310 8.142 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.652 7.625 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.664 6.449 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.755 6.016 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.017 8.700 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.100 7.136 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.061 8.374 -0.536 1.00 0.00 H new ATOM 451 N VAL A 28 -3.185 5.972 2.180 1.00 0.00 N ATOM 452 CA VAL A 28 -4.021 5.272 3.143 1.00 0.00 C ATOM 453 C VAL A 28 -4.932 4.279 2.455 1.00 0.00 C ATOM 454 O VAL A 28 -5.231 3.210 2.985 1.00 0.00 O ATOM 455 CB VAL A 28 -4.774 6.254 4.017 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.579 5.481 5.065 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.728 7.109 4.730 1.00 0.00 C ATOM 0 H VAL A 28 -3.456 6.943 2.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.378 4.692 3.805 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.452 6.867 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.123 6.183 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.287 4.820 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.901 4.889 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.227 7.834 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.086 6.469 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.124 7.636 3.991 1.00 0.00 H new ATOM 467 N ALA A 29 -5.371 4.660 1.265 1.00 0.00 N ATOM 468 CA ALA A 29 -6.249 3.837 0.464 1.00 0.00 C ATOM 469 C ALA A 29 -5.606 2.497 0.299 1.00 0.00 C ATOM 470 O ALA A 29 -6.257 1.453 0.351 1.00 0.00 O ATOM 471 CB ALA A 29 -6.387 4.460 -0.913 1.00 0.00 C ATOM 0 H ALA A 29 -5.125 5.550 0.832 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.225 3.751 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.048 3.846 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.806 5.462 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.406 4.520 -1.385 1.00 0.00 H new ATOM 477 N PHE A 30 -4.301 2.554 0.126 1.00 0.00 N ATOM 478 CA PHE A 30 -3.529 1.387 -0.016 1.00 0.00 C ATOM 479 C PHE A 30 -3.462 0.657 1.278 1.00 0.00 C ATOM 480 O PHE A 30 -3.544 -0.562 1.273 1.00 0.00 O ATOM 481 CB PHE A 30 -2.155 1.758 -0.468 1.00 0.00 C ATOM 482 CG PHE A 30 -2.210 1.951 -1.943 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.403 0.854 -2.782 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.113 3.227 -2.464 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.508 1.048 -4.150 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.214 3.430 -3.820 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.422 2.340 -4.679 1.00 0.00 C ATOM 0 H PHE A 30 -3.768 3.422 0.083 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.991 0.735 -0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.821 2.670 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.441 0.976 -0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.470 -0.141 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.957 4.068 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.656 0.203 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.133 4.428 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.515 2.498 -5.743 1.00 0.00 H new ATOM 497 N ILE A 31 -3.357 1.397 2.398 1.00 0.00 N ATOM 498 CA ILE A 31 -3.320 0.713 3.684 1.00 0.00 C ATOM 499 C ILE A 31 -4.571 -0.144 3.758 1.00 0.00 C ATOM 500 O ILE A 31 -4.561 -1.268 4.266 1.00 0.00 O ATOM 501 CB ILE A 31 -3.365 1.678 4.875 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.211 2.668 4.830 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.266 0.878 6.185 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.411 3.687 5.958 1.00 0.00 C ATOM 0 H ILE A 31 -3.300 2.415 2.433 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.390 0.148 3.745 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.305 2.228 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.260 2.149 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.179 3.172 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.298 1.563 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.102 0.181 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.328 0.323 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.594 4.408 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.358 4.208 5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.424 3.170 6.917 1.00 0.00 H new ATOM 516 N ASN A 32 -5.649 0.430 3.223 1.00 0.00 N ATOM 517 CA ASN A 32 -6.941 -0.234 3.196 1.00 0.00 C ATOM 518 C ASN A 32 -6.927 -1.460 2.293 1.00 0.00 C ATOM 519 O ASN A 32 -7.501 -2.491 2.632 1.00 0.00 O ATOM 520 CB ASN A 32 -7.998 0.750 2.691 1.00 0.00 C ATOM 521 CG ASN A 32 -9.333 0.496 3.383 1.00 0.00 C ATOM 522 OD1 ASN A 32 -10.099 -0.367 2.962 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.655 1.202 4.431 1.00 0.00 N ATOM 0 H ASN A 32 -5.647 1.359 2.802 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.173 -0.564 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.672 1.773 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.115 0.647 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.544 1.038 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.017 1.918 4.779 1.00 0.00 H new ATOM 530 N SER A 33 -6.287 -1.342 1.137 1.00 0.00 N ATOM 531 CA SER A 33 -6.233 -2.447 0.202 1.00 0.00 C ATOM 532 C SER A 33 -5.477 -3.634 0.797 1.00 0.00 C ATOM 533 O SER A 33 -5.827 -4.788 0.543 1.00 0.00 O ATOM 534 CB SER A 33 -5.564 -1.989 -1.082 1.00 0.00 C ATOM 535 OG SER A 33 -6.155 -0.771 -1.518 1.00 0.00 O ATOM 0 H SER A 33 -5.803 -0.498 0.830 1.00 0.00 H new ATOM 0 HA SER A 33 -7.251 -2.773 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.496 -1.848 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.670 -2.753 -1.852 1.00 0.00 H new ATOM 0 HG SER A 33 -5.722 -0.475 -2.346 1.00 0.00 H new ATOM 541 N LEU A 34 -4.430 -3.342 1.576 1.00 0.00 N ATOM 542 CA LEU A 34 -3.621 -4.419 2.189 1.00 0.00 C ATOM 543 C LEU A 34 -4.486 -5.300 3.088 1.00 0.00 C ATOM 544 O LEU A 34 -4.415 -6.522 3.020 1.00 0.00 O ATOM 545 CB LEU A 34 -2.463 -3.882 3.058 1.00 0.00 C ATOM 546 CG LEU A 34 -1.856 -2.593 2.503 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.582 -2.240 3.278 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.512 -2.752 1.021 1.00 0.00 C ATOM 0 H LEU A 34 -4.122 -2.395 1.798 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.209 -4.984 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.827 -3.701 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.686 -4.643 3.130 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.590 -1.795 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.155 -1.321 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.824 -2.098 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.141 -3.050 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.081 -1.824 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.792 -3.561 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.417 -2.985 0.460 1.00 0.00 H new ATOM 560 N ARG A 35 -5.301 -4.671 3.931 1.00 0.00 N ATOM 561 CA ARG A 35 -6.180 -5.420 4.830 1.00 0.00 C ATOM 562 C ARG A 35 -7.314 -6.055 4.050 1.00 0.00 C ATOM 563 O ARG A 35 -7.742 -7.171 4.353 1.00 0.00 O ATOM 564 CB ARG A 35 -6.709 -4.527 5.954 1.00 0.00 C ATOM 565 CG ARG A 35 -7.500 -3.340 5.392 1.00 0.00 C ATOM 566 CD ARG A 35 -7.959 -2.433 6.537 1.00 0.00 C ATOM 567 NE ARG A 35 -8.824 -1.372 6.024 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.147 -1.467 6.088 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.808 -2.021 5.115 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.782 -1.004 7.126 1.00 0.00 N ATOM 0 H ARG A 35 -5.373 -3.657 4.012 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.599 -6.217 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.347 -5.112 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.876 -4.161 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.880 -2.776 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.363 -3.699 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.494 -3.020 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.093 -1.997 7.035 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.403 -0.541 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.310 -2.383 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.824 -2.094 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.263 -0.569 7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.798 -1.076 7.176 1.00 0.00 H new ATOM 584 N ASP A 36 -7.762 -5.351 3.014 1.00 0.00 N ATOM 585 CA ASP A 36 -8.809 -5.857 2.150 1.00 0.00 C ATOM 586 C ASP A 36 -8.273 -7.075 1.415 1.00 0.00 C ATOM 587 O ASP A 36 -9.036 -7.906 0.919 1.00 0.00 O ATOM 588 CB ASP A 36 -9.227 -4.777 1.135 1.00 0.00 C ATOM 589 CG ASP A 36 -9.906 -3.583 1.821 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.320 -3.713 2.964 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.997 -2.546 1.187 1.00 0.00 O ATOM 0 H ASP A 36 -7.412 -4.428 2.757 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.682 -6.128 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.349 -4.432 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.908 -5.211 0.402 1.00 0.00 H new ATOM 596 N ASP A 37 -6.935 -7.156 1.356 1.00 0.00 N ATOM 597 CA ASP A 37 -6.263 -8.259 0.676 1.00 0.00 C ATOM 598 C ASP A 37 -4.740 -8.195 0.890 1.00 0.00 C ATOM 599 O ASP A 37 -4.034 -7.498 0.153 1.00 0.00 O ATOM 600 CB ASP A 37 -6.575 -8.190 -0.827 1.00 0.00 C ATOM 601 CG ASP A 37 -6.276 -9.532 -1.502 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.226 -10.096 -1.234 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.102 -9.976 -2.281 1.00 0.00 O ATOM 0 H ASP A 37 -6.304 -6.470 1.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.627 -9.198 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.623 -7.928 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.981 -7.403 -1.291 1.00 0.00 H new ATOM 608 N PRO A 38 -4.215 -8.910 1.869 1.00 0.00 N ATOM 609 CA PRO A 38 -2.749 -8.926 2.149 1.00 0.00 C ATOM 610 C PRO A 38 -1.981 -9.660 1.052 1.00 0.00 C ATOM 611 O PRO A 38 -0.833 -9.333 0.758 1.00 0.00 O ATOM 612 CB PRO A 38 -2.601 -9.648 3.493 1.00 0.00 C ATOM 613 CG PRO A 38 -3.975 -10.013 3.951 1.00 0.00 C ATOM 614 CD PRO A 38 -4.953 -9.771 2.800 1.00 0.00 C ATOM 0 HA PRO A 38 -2.339 -7.917 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.982 -10.539 3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.110 -9.005 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.006 -11.058 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.256 -9.415 4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.249 -10.707 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.866 -9.288 3.149 1.00 0.00 H new ATOM 622 N SER A 39 -2.639 -10.641 0.432 1.00 0.00 N ATOM 623 CA SER A 39 -2.024 -11.399 -0.650 1.00 0.00 C ATOM 624 C SER A 39 -1.722 -10.453 -1.798 1.00 0.00 C ATOM 625 O SER A 39 -0.752 -10.634 -2.537 1.00 0.00 O ATOM 626 CB SER A 39 -2.961 -12.515 -1.123 1.00 0.00 C ATOM 627 OG SER A 39 -3.426 -13.248 0.003 1.00 0.00 O ATOM 0 H SER A 39 -3.591 -10.925 0.661 1.00 0.00 H new ATOM 0 HA SER A 39 -1.102 -11.858 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.804 -12.091 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.437 -13.178 -1.812 1.00 0.00 H new ATOM 0 HG SER A 39 -4.027 -13.962 -0.297 1.00 0.00 H new ATOM 633 N GLN A 40 -2.567 -9.428 -1.918 1.00 0.00 N ATOM 634 CA GLN A 40 -2.410 -8.425 -2.953 1.00 0.00 C ATOM 635 C GLN A 40 -1.610 -7.232 -2.437 1.00 0.00 C ATOM 636 O GLN A 40 -1.427 -6.258 -3.159 1.00 0.00 O ATOM 637 CB GLN A 40 -3.783 -7.958 -3.448 1.00 0.00 C ATOM 638 CG GLN A 40 -4.457 -9.081 -4.253 1.00 0.00 C ATOM 639 CD GLN A 40 -5.842 -8.646 -4.742 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.355 -7.513 -4.341 1.00 0.00 O flip ATOM 641 NE2 GLN A 40 -6.479 -9.368 -5.507 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.368 -9.277 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.864 -8.874 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.410 -7.679 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.673 -7.069 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.833 -9.348 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.549 -9.973 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.082 -10.253 -5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.404 -9.082 -5.826 1.00 0.00 H new ATOM 650 N SER A 41 -1.104 -7.319 -1.200 1.00 0.00 N ATOM 651 CA SER A 41 -0.302 -6.234 -0.634 1.00 0.00 C ATOM 652 C SER A 41 0.833 -5.934 -1.600 1.00 0.00 C ATOM 653 O SER A 41 1.243 -4.797 -1.756 1.00 0.00 O ATOM 654 CB SER A 41 0.276 -6.647 0.730 1.00 0.00 C ATOM 655 OG SER A 41 1.326 -7.578 0.511 1.00 0.00 O ATOM 0 H SER A 41 -1.235 -8.119 -0.581 1.00 0.00 H new ATOM 0 HA SER A 41 -0.925 -5.352 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.650 -5.773 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.501 -7.092 1.352 1.00 0.00 H new ATOM 0 HG SER A 41 0.949 -8.475 0.393 1.00 0.00 H new ATOM 661 N ALA A 42 1.295 -7.004 -2.249 1.00 0.00 N ATOM 662 CA ALA A 42 2.369 -6.960 -3.234 1.00 0.00 C ATOM 663 C ALA A 42 1.954 -6.204 -4.491 1.00 0.00 C ATOM 664 O ALA A 42 2.728 -5.456 -5.085 1.00 0.00 O ATOM 665 CB ALA A 42 2.692 -8.387 -3.651 1.00 0.00 C ATOM 0 H ALA A 42 0.924 -7.942 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 42 3.222 -6.454 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.494 -8.378 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.008 -8.958 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.805 -8.849 -4.085 1.00 0.00 H new ATOM 671 N ASN A 43 0.728 -6.444 -4.896 1.00 0.00 N ATOM 672 CA ASN A 43 0.160 -5.826 -6.072 1.00 0.00 C ATOM 673 C ASN A 43 -0.143 -4.373 -5.820 1.00 0.00 C ATOM 674 O ASN A 43 -0.118 -3.539 -6.717 1.00 0.00 O ATOM 675 CB ASN A 43 -1.149 -6.510 -6.351 1.00 0.00 C ATOM 676 CG ASN A 43 -0.928 -7.879 -6.989 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.463 -8.936 -6.443 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -0.253 -7.990 -8.012 1.00 0.00 N flip ATOM 0 H ASN A 43 0.092 -7.079 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 43 0.865 -5.912 -6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.709 -6.624 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.753 -5.890 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.165 -7.164 -8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.112 -8.908 -8.433 1.00 0.00 H new ATOM 685 N LEU A 44 -0.534 -4.128 -4.592 1.00 0.00 N ATOM 686 CA LEU A 44 -0.968 -2.823 -4.171 1.00 0.00 C ATOM 687 C LEU A 44 0.116 -1.785 -4.224 1.00 0.00 C ATOM 688 O LEU A 44 -0.144 -0.694 -4.706 1.00 0.00 O ATOM 689 CB LEU A 44 -1.597 -2.952 -2.803 1.00 0.00 C ATOM 690 CG LEU A 44 -2.899 -3.733 -2.998 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.395 -4.334 -1.685 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.944 -2.798 -3.589 1.00 0.00 C ATOM 0 H LEU A 44 -0.559 -4.833 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.711 -2.454 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.930 -3.474 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.794 -1.970 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.716 -4.564 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.321 -4.881 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.641 -5.015 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.577 -3.536 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.878 -3.341 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.111 -1.963 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.592 -2.419 -4.549 1.00 0.00 H new ATOM 704 N LEU A 45 1.338 -2.106 -3.811 1.00 0.00 N ATOM 705 CA LEU A 45 2.390 -1.089 -3.959 1.00 0.00 C ATOM 706 C LEU A 45 2.620 -0.947 -5.441 1.00 0.00 C ATOM 707 O LEU A 45 2.933 0.112 -5.922 1.00 0.00 O ATOM 708 CB LEU A 45 3.765 -1.307 -3.267 1.00 0.00 C ATOM 709 CG LEU A 45 3.840 -2.548 -2.398 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.778 -2.496 -1.304 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.695 -3.769 -3.292 1.00 0.00 C ATOM 0 H LEU A 45 1.620 -2.995 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 45 2.007 -0.212 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.538 -1.368 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.992 -0.435 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 45 4.803 -2.604 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.845 -3.393 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.940 -1.616 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.789 -2.441 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.746 -4.673 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.735 -3.731 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.500 -3.779 -4.027 1.00 0.00 H new ATOM 723 N ALA A 46 2.438 -2.056 -6.156 1.00 0.00 N ATOM 724 CA ALA A 46 2.599 -2.063 -7.603 1.00 0.00 C ATOM 725 C ALA A 46 1.599 -1.090 -8.196 1.00 0.00 C ATOM 726 O ALA A 46 1.929 -0.265 -9.046 1.00 0.00 O ATOM 727 CB ALA A 46 2.313 -3.460 -8.144 1.00 0.00 C ATOM 0 H ALA A 46 2.180 -2.958 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 46 3.617 -1.777 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.434 -3.463 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.009 -4.172 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.292 -3.745 -7.893 1.00 0.00 H new ATOM 733 N GLU A 47 0.380 -1.182 -7.674 1.00 0.00 N ATOM 734 CA GLU A 47 -0.703 -0.314 -8.063 1.00 0.00 C ATOM 735 C GLU A 47 -0.354 1.092 -7.641 1.00 0.00 C ATOM 736 O GLU A 47 -0.447 2.040 -8.405 1.00 0.00 O ATOM 737 CB GLU A 47 -1.945 -0.761 -7.295 1.00 0.00 C ATOM 738 CG GLU A 47 -2.847 -1.624 -8.174 1.00 0.00 C ATOM 739 CD GLU A 47 -3.650 -2.591 -7.302 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.100 -3.615 -6.923 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.798 -2.291 -7.018 1.00 0.00 O ATOM 0 H GLU A 47 0.124 -1.869 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.876 -0.352 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.648 -1.323 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.497 0.112 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.523 -0.991 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.245 -2.181 -8.892 1.00 0.00 H new ATOM 748 N ALA A 48 0.057 1.171 -6.392 1.00 0.00 N ATOM 749 CA ALA A 48 0.443 2.414 -5.760 1.00 0.00 C ATOM 750 C ALA A 48 1.590 3.072 -6.503 1.00 0.00 C ATOM 751 O ALA A 48 1.558 4.267 -6.772 1.00 0.00 O ATOM 752 CB ALA A 48 0.843 2.130 -4.332 1.00 0.00 C ATOM 0 H ALA A 48 0.133 0.360 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.403 3.102 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.136 3.060 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.000 1.691 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.682 1.434 -4.321 1.00 0.00 H new ATOM 758 N LYS A 49 2.585 2.274 -6.861 1.00 0.00 N ATOM 759 CA LYS A 49 3.711 2.784 -7.625 1.00 0.00 C ATOM 760 C LYS A 49 3.175 3.294 -8.954 1.00 0.00 C ATOM 761 O LYS A 49 3.631 4.314 -9.471 1.00 0.00 O ATOM 762 CB LYS A 49 4.766 1.689 -7.845 1.00 0.00 C ATOM 763 CG LYS A 49 5.535 1.437 -6.536 1.00 0.00 C ATOM 764 CD LYS A 49 6.549 0.301 -6.736 1.00 0.00 C ATOM 765 CE LYS A 49 7.079 -0.177 -5.376 1.00 0.00 C ATOM 766 NZ LYS A 49 7.539 0.990 -4.568 1.00 0.00 N ATOM 0 H LYS A 49 2.635 1.280 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 49 4.200 3.592 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.285 0.769 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.458 1.990 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.051 2.346 -6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.838 1.178 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.078 -0.528 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.376 0.646 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.297 -0.715 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.903 -0.875 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.134 0.656 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.090 1.634 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.714 1.495 -4.186 1.00 0.00 H new ATOM 780 N LYS A 50 2.150 2.594 -9.468 1.00 0.00 N ATOM 781 CA LYS A 50 1.499 3.001 -10.705 1.00 0.00 C ATOM 782 C LYS A 50 0.718 4.281 -10.449 1.00 0.00 C ATOM 783 O LYS A 50 0.655 5.159 -11.297 1.00 0.00 O ATOM 784 CB LYS A 50 0.553 1.894 -11.205 1.00 0.00 C ATOM 785 CG LYS A 50 1.098 1.278 -12.502 1.00 0.00 C ATOM 786 CD LYS A 50 2.158 0.211 -12.178 1.00 0.00 C ATOM 787 CE LYS A 50 1.480 -1.139 -11.908 1.00 0.00 C ATOM 788 NZ LYS A 50 2.428 -2.034 -11.185 1.00 0.00 N ATOM 0 H LYS A 50 1.763 1.751 -9.043 1.00 0.00 H new ATOM 0 HA LYS A 50 2.253 3.175 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.449 1.122 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.441 2.306 -11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.283 0.831 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.534 2.057 -13.128 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.856 0.116 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.738 0.516 -11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.577 -0.993 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.173 -1.599 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.964 -2.943 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.270 -2.196 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.712 -1.588 -10.290 1.00 0.00 H new ATOM 802 N LEU A 51 0.142 4.363 -9.248 1.00 0.00 N ATOM 803 CA LEU A 51 -0.633 5.521 -8.818 1.00 0.00 C ATOM 804 C LEU A 51 0.280 6.717 -8.677 1.00 0.00 C ATOM 805 O LEU A 51 -0.062 7.829 -9.066 1.00 0.00 O ATOM 806 CB LEU A 51 -1.254 5.251 -7.447 1.00 0.00 C ATOM 807 CG LEU A 51 -2.696 4.750 -7.537 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.600 5.904 -7.987 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.797 3.537 -8.487 1.00 0.00 C ATOM 0 H LEU A 51 0.202 3.625 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.410 5.712 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.650 4.513 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.229 6.166 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.028 4.410 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.630 5.554 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.539 6.717 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.274 6.262 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.832 3.198 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.463 3.826 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.167 2.729 -8.114 1.00 0.00 H new ATOM 821 N ASN A 52 1.449 6.459 -8.103 1.00 0.00 N ATOM 822 CA ASN A 52 2.437 7.494 -7.891 1.00 0.00 C ATOM 823 C ASN A 52 2.830 8.054 -9.236 1.00 0.00 C ATOM 824 O ASN A 52 2.857 9.266 -9.452 1.00 0.00 O ATOM 825 CB ASN A 52 3.637 6.862 -7.139 1.00 0.00 C ATOM 826 CG ASN A 52 5.034 7.289 -7.657 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.195 8.257 -8.396 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.076 6.605 -7.288 1.00 0.00 N ATOM 0 H ASN A 52 1.731 5.535 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 52 2.053 8.316 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.563 7.123 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.557 5.777 -7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.005 6.876 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.965 5.798 -6.675 1.00 0.00 H new ATOM 835 N ASP A 53 3.119 7.144 -10.138 1.00 0.00 N ATOM 836 CA ASP A 53 3.508 7.508 -11.468 1.00 0.00 C ATOM 837 C ASP A 53 2.331 8.124 -12.226 1.00 0.00 C ATOM 838 O ASP A 53 2.507 9.021 -13.053 1.00 0.00 O ATOM 839 CB ASP A 53 4.002 6.255 -12.203 1.00 0.00 C ATOM 840 CG ASP A 53 5.227 5.642 -11.503 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.911 6.353 -10.777 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.459 4.461 -11.702 1.00 0.00 O ATOM 0 H ASP A 53 3.089 6.139 -9.966 1.00 0.00 H new ATOM 0 HA ASP A 53 4.306 8.249 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.200 5.518 -12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.258 6.511 -13.231 1.00 0.00 H new ATOM 847 N ALA A 54 1.137 7.593 -11.955 1.00 0.00 N ATOM 848 CA ALA A 54 -0.088 8.042 -12.636 1.00 0.00 C ATOM 849 C ALA A 54 -0.611 9.392 -12.169 1.00 0.00 C ATOM 850 O ALA A 54 -1.091 10.190 -12.976 1.00 0.00 O ATOM 851 CB ALA A 54 -1.186 7.037 -12.354 1.00 0.00 C ATOM 0 H ALA A 54 0.988 6.852 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 54 0.173 8.131 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.104 7.352 -12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.888 6.058 -12.729 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.357 6.977 -11.279 1.00 0.00 H new ATOM 857 N GLN A 55 -0.561 9.618 -10.865 1.00 0.00 N ATOM 858 CA GLN A 55 -1.083 10.847 -10.295 1.00 0.00 C ATOM 859 C GLN A 55 -0.082 11.961 -10.381 1.00 0.00 C ATOM 860 O GLN A 55 -0.417 13.075 -10.794 1.00 0.00 O ATOM 861 CB GLN A 55 -1.424 10.631 -8.824 1.00 0.00 C ATOM 862 CG GLN A 55 -2.650 9.728 -8.684 1.00 0.00 C ATOM 863 CD GLN A 55 -2.990 9.548 -7.208 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.007 8.943 -6.877 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.201 10.050 -6.294 1.00 0.00 N ATOM 0 H GLN A 55 -0.166 8.968 -10.185 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.972 11.119 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.574 10.182 -8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.616 11.591 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.498 10.165 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.454 8.759 -9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.357 10.552 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.430 9.939 -5.306 1.00 0.00 H new ATOM 874 N ALA A 56 1.138 11.652 -9.948 1.00 0.00 N ATOM 875 CA ALA A 56 2.208 12.652 -9.920 1.00 0.00 C ATOM 876 C ALA A 56 1.624 13.986 -9.402 1.00 0.00 C ATOM 877 O ALA A 56 1.582 14.978 -10.133 1.00 0.00 O ATOM 878 CB ALA A 56 2.797 12.812 -11.325 1.00 0.00 C ATOM 0 H ALA A 56 1.411 10.728 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 56 3.011 12.336 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.593 13.556 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.202 11.857 -11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.016 13.136 -12.012 1.00 0.00 H new