USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 309 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -2 K(o=-2,f=-0.13) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 21 SER OG : rot 129:sc= -1.08 USER MOD Single : A 22 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.7!) USER MOD Single : A 28 MET CE :methyl 172:sc= 0 (180deg=-0.01) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N ASP A 1 13.464 2.352 3.613 1.00 0.00 N ATOM 13 CA ASP A 1 12.695 2.949 4.747 1.00 0.00 C ATOM 14 C ASP A 1 11.802 4.078 4.227 1.00 0.00 C ATOM 15 O ASP A 1 10.597 4.045 4.376 1.00 0.00 O ATOM 16 CB ASP A 1 13.659 3.500 5.802 1.00 0.00 C ATOM 17 CG ASP A 1 13.139 3.152 7.199 1.00 0.00 C ATOM 18 OD1 ASP A 1 12.058 3.604 7.537 1.00 0.00 O ATOM 19 OD2 ASP A 1 13.832 2.439 7.906 1.00 0.00 O ATOM 0 H1 ASP A 1 14.070 1.585 3.970 1.00 0.00 H new ATOM 0 H2 ASP A 1 12.802 1.970 2.907 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.056 3.084 3.172 1.00 0.00 H new ATOM 0 HA ASP A 1 12.074 2.176 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.654 3.078 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.752 4.581 5.696 1.00 0.00 H new ATOM 24 N TRP A 2 12.379 5.080 3.622 1.00 0.00 N ATOM 25 CA TRP A 2 11.561 6.205 3.099 1.00 0.00 C ATOM 26 C TRP A 2 10.390 5.657 2.279 1.00 0.00 C ATOM 27 O TRP A 2 9.333 6.251 2.211 1.00 0.00 O ATOM 28 CB TRP A 2 12.420 7.084 2.194 1.00 0.00 C ATOM 29 CG TRP A 2 12.741 6.315 0.960 1.00 0.00 C ATOM 30 CD1 TRP A 2 13.657 5.334 0.894 1.00 0.00 C ATOM 31 CD2 TRP A 2 12.148 6.421 -0.365 1.00 0.00 C ATOM 32 NE1 TRP A 2 13.684 4.831 -0.396 1.00 0.00 N ATOM 33 CE2 TRP A 2 12.768 5.471 -1.210 1.00 0.00 C ATOM 34 CE3 TRP A 2 11.147 7.245 -0.912 1.00 0.00 C ATOM 35 CZ2 TRP A 2 12.405 5.344 -2.553 1.00 0.00 C ATOM 36 CZ3 TRP A 2 10.779 7.119 -2.262 1.00 0.00 C ATOM 37 CH2 TRP A 2 11.407 6.170 -3.080 1.00 0.00 C ATOM 0 H TRP A 2 13.384 5.166 3.468 1.00 0.00 H new ATOM 0 HA TRP A 2 11.184 6.788 3.939 1.00 0.00 H new ATOM 0 HB2 TRP A 2 11.889 8.002 1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 2 13.336 7.377 2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 2 14.272 4.993 1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 2 14.303 4.082 -0.707 1.00 0.00 H new ATOM 0 HE3 TRP A 2 10.658 7.980 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 12.892 4.612 -3.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 10.009 7.756 -2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 2 11.120 6.077 -4.117 1.00 0.00 H new ATOM 48 N LEU A 3 10.584 4.539 1.636 1.00 0.00 N ATOM 49 CA LEU A 3 9.501 3.957 0.797 1.00 0.00 C ATOM 50 C LEU A 3 8.248 3.737 1.641 1.00 0.00 C ATOM 51 O LEU A 3 7.152 4.044 1.225 1.00 0.00 O ATOM 52 CB LEU A 3 9.968 2.623 0.214 1.00 0.00 C ATOM 53 CG LEU A 3 10.752 2.881 -1.073 1.00 0.00 C ATOM 54 CD1 LEU A 3 12.232 2.571 -0.840 1.00 0.00 C ATOM 55 CD2 LEU A 3 10.211 1.982 -2.187 1.00 0.00 C ATOM 0 H LEU A 3 11.451 4.001 1.656 1.00 0.00 H new ATOM 0 HA LEU A 3 9.267 4.647 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.593 2.097 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.110 1.982 0.009 1.00 0.00 H new ATOM 0 HG LEU A 3 10.642 3.926 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.791 2.755 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.617 3.211 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.344 1.526 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.769 2.165 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.321 0.937 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.157 2.203 -2.353 1.00 0.00 H new ATOM 67 N LYS A 4 8.396 3.208 2.823 1.00 0.00 N ATOM 68 CA LYS A 4 7.199 2.978 3.679 1.00 0.00 C ATOM 69 C LYS A 4 6.394 4.273 3.767 1.00 0.00 C ATOM 70 O LYS A 4 5.186 4.260 3.890 1.00 0.00 O ATOM 71 CB LYS A 4 7.641 2.552 5.081 1.00 0.00 C ATOM 72 CG LYS A 4 7.057 1.176 5.408 1.00 0.00 C ATOM 73 CD LYS A 4 7.371 0.822 6.863 1.00 0.00 C ATOM 74 CE LYS A 4 6.879 -0.596 7.162 1.00 0.00 C ATOM 75 NZ LYS A 4 7.353 -1.011 8.513 1.00 0.00 N ATOM 0 H LYS A 4 9.287 2.927 3.231 1.00 0.00 H new ATOM 0 HA LYS A 4 6.584 2.190 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.729 2.519 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.307 3.284 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.979 1.179 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.476 0.423 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.444 0.891 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.890 1.534 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.790 -0.631 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.250 -1.288 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.019 -1.975 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.393 -0.992 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.978 -0.356 9.229 1.00 0.00 H new ATOM 89 N ALA A 5 7.058 5.393 3.700 1.00 0.00 N ATOM 90 CA ALA A 5 6.338 6.692 3.773 1.00 0.00 C ATOM 91 C ALA A 5 5.789 7.047 2.389 1.00 0.00 C ATOM 92 O ALA A 5 4.715 7.599 2.260 1.00 0.00 O ATOM 93 CB ALA A 5 7.307 7.784 4.232 1.00 0.00 C ATOM 0 H ALA A 5 8.070 5.464 3.598 1.00 0.00 H new ATOM 0 HA ALA A 5 5.514 6.614 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.781 8.737 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.701 7.530 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.129 7.863 3.521 1.00 0.00 H new ATOM 99 N ARG A 6 6.521 6.739 1.352 1.00 0.00 N ATOM 100 CA ARG A 6 6.048 7.062 -0.017 1.00 0.00 C ATOM 101 C ARG A 6 5.241 5.887 -0.582 1.00 0.00 C ATOM 102 O ARG A 6 4.866 5.882 -1.738 1.00 0.00 O ATOM 103 CB ARG A 6 7.253 7.361 -0.921 1.00 0.00 C ATOM 104 CG ARG A 6 7.899 6.057 -1.406 1.00 0.00 C ATOM 105 CD ARG A 6 7.683 5.917 -2.913 1.00 0.00 C ATOM 106 NE ARG A 6 8.148 4.576 -3.365 1.00 0.00 N ATOM 107 CZ ARG A 6 8.537 4.404 -4.598 1.00 0.00 C ATOM 108 NH1 ARG A 6 7.793 4.832 -5.582 1.00 0.00 N ATOM 109 NH2 ARG A 6 9.669 3.807 -4.849 1.00 0.00 N ATOM 0 H ARG A 6 7.429 6.276 1.399 1.00 0.00 H new ATOM 0 HA ARG A 6 5.405 7.941 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.934 7.956 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.986 7.955 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.965 6.059 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.463 5.205 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.627 6.046 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.228 6.699 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 6 8.162 3.793 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.908 5.300 -5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.096 4.698 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.251 3.474 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.972 3.673 -5.814 1.00 0.00 H new ATOM 123 N VAL A 7 4.972 4.891 0.219 1.00 0.00 N ATOM 124 CA VAL A 7 4.196 3.728 -0.282 1.00 0.00 C ATOM 125 C VAL A 7 2.703 3.978 -0.065 1.00 0.00 C ATOM 126 O VAL A 7 1.897 3.801 -0.956 1.00 0.00 O ATOM 127 CB VAL A 7 4.620 2.465 0.470 1.00 0.00 C ATOM 128 CG1 VAL A 7 3.627 1.338 0.179 1.00 0.00 C ATOM 129 CG2 VAL A 7 6.017 2.044 0.009 1.00 0.00 C ATOM 0 H VAL A 7 5.257 4.836 1.197 1.00 0.00 H new ATOM 0 HA VAL A 7 4.390 3.595 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 7 4.634 2.668 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.930 0.439 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.631 1.637 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.612 1.134 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.321 1.144 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.001 1.842 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.726 2.846 0.216 1.00 0.00 H new ATOM 139 N GLU A 8 2.327 4.387 1.113 1.00 0.00 N ATOM 140 CA GLU A 8 0.887 4.648 1.384 1.00 0.00 C ATOM 141 C GLU A 8 0.430 5.861 0.570 1.00 0.00 C ATOM 142 O GLU A 8 -0.743 6.043 0.313 1.00 0.00 O ATOM 143 CB GLU A 8 0.695 4.929 2.875 1.00 0.00 C ATOM 144 CG GLU A 8 -0.515 4.150 3.391 1.00 0.00 C ATOM 145 CD GLU A 8 -1.067 4.835 4.642 1.00 0.00 C ATOM 146 OE1 GLU A 8 -1.335 6.024 4.573 1.00 0.00 O ATOM 147 OE2 GLU A 8 -1.211 4.161 5.648 1.00 0.00 O ATOM 0 H GLU A 8 2.954 4.552 1.900 1.00 0.00 H new ATOM 0 HA GLU A 8 0.296 3.777 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.589 4.641 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.550 5.997 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.285 4.101 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.229 3.124 3.622 1.00 0.00 H new ATOM 154 N GLN A 9 1.350 6.694 0.167 1.00 0.00 N ATOM 155 CA GLN A 9 0.975 7.895 -0.624 1.00 0.00 C ATOM 156 C GLN A 9 0.620 7.486 -2.056 1.00 0.00 C ATOM 157 O GLN A 9 -0.389 7.894 -2.595 1.00 0.00 O ATOM 158 CB GLN A 9 2.151 8.875 -0.651 1.00 0.00 C ATOM 159 CG GLN A 9 1.637 10.282 -0.962 1.00 0.00 C ATOM 160 CD GLN A 9 2.613 10.987 -1.906 1.00 0.00 C ATOM 161 OE1 GLN A 9 2.620 10.731 -3.093 1.00 0.00 O ATOM 162 NE2 GLN A 9 3.444 11.872 -1.425 1.00 0.00 N ATOM 0 H GLN A 9 2.348 6.592 0.353 1.00 0.00 H new ATOM 0 HA GLN A 9 0.110 8.372 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.665 8.869 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.877 8.567 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.649 10.227 -1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.530 10.853 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.439 12.088 -0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.098 12.348 -2.046 1.00 0.00 H new ATOM 171 N GLU A 10 1.444 6.689 -2.679 1.00 0.00 N ATOM 172 CA GLU A 10 1.156 6.264 -4.076 1.00 0.00 C ATOM 173 C GLU A 10 -0.082 5.363 -4.101 1.00 0.00 C ATOM 174 O GLU A 10 -0.859 5.389 -5.035 1.00 0.00 O ATOM 175 CB GLU A 10 2.359 5.500 -4.636 1.00 0.00 C ATOM 176 CG GLU A 10 2.480 4.149 -3.930 1.00 0.00 C ATOM 177 CD GLU A 10 3.725 3.418 -4.436 1.00 0.00 C ATOM 178 OE1 GLU A 10 4.796 3.683 -3.916 1.00 0.00 O ATOM 179 OE2 GLU A 10 3.585 2.605 -5.335 1.00 0.00 O ATOM 0 H GLU A 10 2.305 6.314 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 10 0.968 7.146 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.241 5.352 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.271 6.080 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.544 4.295 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.591 3.548 -4.118 1.00 0.00 H new ATOM 186 N LEU A 11 -0.272 4.562 -3.088 1.00 0.00 N ATOM 187 CA LEU A 11 -1.454 3.661 -3.064 1.00 0.00 C ATOM 188 C LEU A 11 -2.698 4.442 -2.632 1.00 0.00 C ATOM 189 O LEU A 11 -3.813 3.987 -2.793 1.00 0.00 O ATOM 190 CB LEU A 11 -1.208 2.517 -2.078 1.00 0.00 C ATOM 191 CG LEU A 11 0.031 1.731 -2.506 1.00 0.00 C ATOM 192 CD1 LEU A 11 0.613 1.002 -1.294 1.00 0.00 C ATOM 193 CD2 LEU A 11 -0.359 0.711 -3.577 1.00 0.00 C ATOM 0 H LEU A 11 0.342 4.494 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.612 3.256 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.070 2.913 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.076 1.858 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 11 0.776 2.416 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.497 0.441 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.889 1.729 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.132 0.316 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.524 0.150 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.103 0.025 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.776 1.231 -4.440 1.00 0.00 H new ATOM 205 N GLN A 12 -2.519 5.610 -2.080 1.00 0.00 N ATOM 206 CA GLN A 12 -3.697 6.407 -1.636 1.00 0.00 C ATOM 207 C GLN A 12 -4.621 6.666 -2.830 1.00 0.00 C ATOM 208 O GLN A 12 -5.775 7.012 -2.671 1.00 0.00 O ATOM 209 CB GLN A 12 -3.221 7.740 -1.043 1.00 0.00 C ATOM 210 CG GLN A 12 -2.863 8.716 -2.168 1.00 0.00 C ATOM 211 CD GLN A 12 -3.948 9.789 -2.275 1.00 0.00 C ATOM 212 OE1 GLN A 12 -3.939 10.754 -1.538 1.00 0.00 O ATOM 213 NE2 GLN A 12 -4.889 9.660 -3.169 1.00 0.00 N ATOM 0 H GLN A 12 -1.611 6.046 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.245 5.853 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.002 8.167 -0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.353 7.574 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.897 9.179 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.771 8.181 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.897 8.849 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.617 10.370 -3.249 1.00 0.00 H new ATOM 222 N ALA A 13 -4.122 6.502 -4.025 1.00 0.00 N ATOM 223 CA ALA A 13 -4.965 6.738 -5.228 1.00 0.00 C ATOM 224 C ALA A 13 -5.977 5.600 -5.381 1.00 0.00 C ATOM 225 O ALA A 13 -7.170 5.795 -5.260 1.00 0.00 O ATOM 226 CB ALA A 13 -4.067 6.788 -6.463 1.00 0.00 C ATOM 0 H ALA A 13 -3.163 6.214 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.500 7.681 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.677 6.961 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.345 7.598 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.537 5.841 -6.566 1.00 0.00 H new ATOM 232 N LEU A 14 -5.509 4.412 -5.652 1.00 0.00 N ATOM 233 CA LEU A 14 -6.440 3.260 -5.820 1.00 0.00 C ATOM 234 C LEU A 14 -7.319 3.122 -4.575 1.00 0.00 C ATOM 235 O LEU A 14 -8.512 2.911 -4.668 1.00 0.00 O ATOM 236 CB LEU A 14 -5.632 1.977 -6.019 1.00 0.00 C ATOM 237 CG LEU A 14 -5.374 1.761 -7.511 1.00 0.00 C ATOM 238 CD1 LEU A 14 -6.709 1.664 -8.251 1.00 0.00 C ATOM 239 CD2 LEU A 14 -4.570 2.940 -8.066 1.00 0.00 C ATOM 0 H LEU A 14 -4.520 4.189 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.073 3.431 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.686 2.044 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.174 1.126 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.812 0.838 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.525 1.510 -9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.283 0.826 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.271 2.587 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.386 2.786 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.133 3.863 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.618 3.011 -7.540 1.00 0.00 H new ATOM 251 N GLU A 15 -6.742 3.236 -3.410 1.00 0.00 N ATOM 252 CA GLU A 15 -7.549 3.107 -2.163 1.00 0.00 C ATOM 253 C GLU A 15 -8.470 4.320 -2.023 1.00 0.00 C ATOM 254 O GLU A 15 -9.534 4.239 -1.441 1.00 0.00 O ATOM 255 CB GLU A 15 -6.614 3.036 -0.954 1.00 0.00 C ATOM 256 CG GLU A 15 -7.368 2.447 0.239 1.00 0.00 C ATOM 257 CD GLU A 15 -6.870 3.098 1.531 1.00 0.00 C ATOM 258 OE1 GLU A 15 -5.682 3.362 1.618 1.00 0.00 O ATOM 259 OE2 GLU A 15 -7.685 3.321 2.411 1.00 0.00 O ATOM 0 H GLU A 15 -5.748 3.413 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.149 2.198 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.745 2.421 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.243 4.031 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.439 2.615 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.217 1.368 0.281 1.00 0.00 H new ATOM 266 N ALA A 16 -8.072 5.444 -2.551 1.00 0.00 N ATOM 267 CA ALA A 16 -8.927 6.659 -2.446 1.00 0.00 C ATOM 268 C ALA A 16 -10.278 6.389 -3.110 1.00 0.00 C ATOM 269 O ALA A 16 -11.308 6.851 -2.658 1.00 0.00 O ATOM 270 CB ALA A 16 -8.236 7.829 -3.149 1.00 0.00 C ATOM 0 H ALA A 16 -7.192 5.574 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.082 6.907 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.860 8.719 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.273 8.020 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.082 7.582 -4.199 1.00 0.00 H new ATOM 276 N ARG A 17 -10.283 5.644 -4.181 1.00 0.00 N ATOM 277 CA ARG A 17 -11.566 5.342 -4.875 1.00 0.00 C ATOM 278 C ARG A 17 -11.438 4.010 -5.617 1.00 0.00 C ATOM 279 O ARG A 17 -11.447 3.961 -6.831 1.00 0.00 O ATOM 280 CB ARG A 17 -11.879 6.457 -5.876 1.00 0.00 C ATOM 281 CG ARG A 17 -10.593 6.878 -6.590 1.00 0.00 C ATOM 282 CD ARG A 17 -10.748 6.655 -8.095 1.00 0.00 C ATOM 283 NE ARG A 17 -11.062 7.951 -8.760 1.00 0.00 N ATOM 284 CZ ARG A 17 -10.492 8.258 -9.894 1.00 0.00 C ATOM 285 NH1 ARG A 17 -10.579 7.443 -10.909 1.00 0.00 N ATOM 286 NH2 ARG A 17 -9.835 9.379 -10.011 1.00 0.00 N ATOM 0 H ARG A 17 -9.453 5.231 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.371 5.276 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.615 6.112 -6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.317 7.311 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.379 7.927 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.749 6.302 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.830 6.235 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.543 5.934 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.722 8.598 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.092 6.566 -10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.134 7.682 -11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.767 10.015 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.390 9.619 -10.897 1.00 0.00 H new ATOM 300 N GLY A 18 -11.315 2.928 -4.896 1.00 0.00 N ATOM 301 CA GLY A 18 -11.183 1.601 -5.562 1.00 0.00 C ATOM 302 C GLY A 18 -12.382 0.722 -5.199 1.00 0.00 C ATOM 303 O GLY A 18 -12.302 -0.490 -5.219 1.00 0.00 O ATOM 0 H GLY A 18 -11.300 2.906 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.128 1.729 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.257 1.117 -5.251 1.00 0.00 H new ATOM 307 N THR A 19 -13.493 1.321 -4.870 1.00 0.00 N ATOM 308 CA THR A 19 -14.693 0.514 -4.509 1.00 0.00 C ATOM 309 C THR A 19 -14.488 -0.116 -3.129 1.00 0.00 C ATOM 310 O THR A 19 -14.120 -1.267 -3.012 1.00 0.00 O ATOM 311 CB THR A 19 -14.892 -0.591 -5.549 1.00 0.00 C ATOM 312 OG1 THR A 19 -14.515 -0.107 -6.831 1.00 0.00 O ATOM 313 CG2 THR A 19 -16.362 -1.012 -5.573 1.00 0.00 C ATOM 0 H THR A 19 -13.622 2.332 -4.835 1.00 0.00 H new ATOM 0 HA THR A 19 -15.572 1.158 -4.487 1.00 0.00 H new ATOM 0 HB THR A 19 -14.274 -1.450 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.640 -0.814 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.503 -1.799 -6.314 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.650 -1.384 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.982 -0.154 -5.833 1.00 0.00 H new ATOM 321 N ASP A 20 -14.722 0.631 -2.084 1.00 0.00 N ATOM 322 CA ASP A 20 -14.540 0.073 -0.714 1.00 0.00 C ATOM 323 C ASP A 20 -13.236 -0.728 -0.658 1.00 0.00 C ATOM 324 O ASP A 20 -13.226 -1.891 -0.309 1.00 0.00 O ATOM 325 CB ASP A 20 -15.715 -0.847 -0.375 1.00 0.00 C ATOM 326 CG ASP A 20 -16.869 -0.016 0.189 1.00 0.00 C ATOM 327 OD1 ASP A 20 -17.529 0.651 -0.591 1.00 0.00 O ATOM 328 OD2 ASP A 20 -17.073 -0.061 1.391 1.00 0.00 O ATOM 0 H ASP A 20 -15.031 1.602 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.498 0.890 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.041 -1.382 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.405 -1.598 0.352 1.00 0.00 H new ATOM 333 N SER A 21 -12.137 -0.115 -1.004 1.00 0.00 N ATOM 334 CA SER A 21 -10.840 -0.840 -0.977 1.00 0.00 C ATOM 335 C SER A 21 -10.280 -0.851 0.448 1.00 0.00 C ATOM 336 O SER A 21 -9.146 -1.223 0.674 1.00 0.00 O ATOM 337 CB SER A 21 -9.846 -0.144 -1.906 1.00 0.00 C ATOM 338 OG SER A 21 -10.555 0.488 -2.964 1.00 0.00 O ATOM 0 H SER A 21 -12.084 0.858 -1.304 1.00 0.00 H new ATOM 0 HA SER A 21 -10.997 -1.866 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.266 0.593 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.138 -0.869 -2.309 1.00 0.00 H new ATOM 0 HG SER A 21 -10.269 1.423 -3.037 1.00 0.00 H new ATOM 344 N ASN A 22 -11.062 -0.448 1.413 1.00 0.00 N ATOM 345 CA ASN A 22 -10.563 -0.439 2.817 1.00 0.00 C ATOM 346 C ASN A 22 -10.828 -1.799 3.462 1.00 0.00 C ATOM 347 O ASN A 22 -10.850 -1.932 4.670 1.00 0.00 O ATOM 348 CB ASN A 22 -11.281 0.653 3.611 1.00 0.00 C ATOM 349 CG ASN A 22 -11.156 1.986 2.873 1.00 0.00 C ATOM 350 OD1 ASN A 22 -11.443 2.072 1.695 1.00 0.00 O ATOM 351 ND2 ASN A 22 -10.738 3.039 3.520 1.00 0.00 N ATOM 0 H ASN A 22 -12.022 -0.126 1.290 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.491 -0.240 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.332 0.393 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.849 0.736 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.652 3.933 3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.497 2.968 4.509 1.00 0.00 H new ATOM 358 N ALA A 23 -11.022 -2.809 2.665 1.00 0.00 N ATOM 359 CA ALA A 23 -11.279 -4.162 3.221 1.00 0.00 C ATOM 360 C ALA A 23 -10.177 -5.113 2.753 1.00 0.00 C ATOM 361 O ALA A 23 -9.612 -5.857 3.531 1.00 0.00 O ATOM 362 CB ALA A 23 -12.636 -4.667 2.727 1.00 0.00 C ATOM 0 H ALA A 23 -11.013 -2.755 1.646 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.286 -4.117 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.825 -5.660 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.420 -3.984 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.631 -4.717 1.638 1.00 0.00 H new ATOM 368 N GLU A 24 -9.864 -5.090 1.486 1.00 0.00 N ATOM 369 CA GLU A 24 -8.798 -5.983 0.963 1.00 0.00 C ATOM 370 C GLU A 24 -7.433 -5.473 1.432 1.00 0.00 C ATOM 371 O GLU A 24 -6.432 -6.153 1.319 1.00 0.00 O ATOM 372 CB GLU A 24 -8.844 -5.988 -0.566 1.00 0.00 C ATOM 373 CG GLU A 24 -10.139 -6.653 -1.037 1.00 0.00 C ATOM 374 CD GLU A 24 -9.997 -8.173 -0.938 1.00 0.00 C ATOM 375 OE1 GLU A 24 -9.453 -8.759 -1.860 1.00 0.00 O ATOM 376 OE2 GLU A 24 -10.436 -8.726 0.057 1.00 0.00 O ATOM 0 H GLU A 24 -10.304 -4.488 0.790 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.955 -6.996 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.788 -4.968 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.982 -6.524 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.977 -6.315 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.356 -6.363 -2.065 1.00 0.00 H new ATOM 383 N LEU A 25 -7.385 -4.278 1.956 1.00 0.00 N ATOM 384 CA LEU A 25 -6.086 -3.723 2.431 1.00 0.00 C ATOM 385 C LEU A 25 -5.337 -4.790 3.232 1.00 0.00 C ATOM 386 O LEU A 25 -4.126 -4.774 3.324 1.00 0.00 O ATOM 387 CB LEU A 25 -6.346 -2.504 3.320 1.00 0.00 C ATOM 388 CG LEU A 25 -6.019 -1.227 2.544 1.00 0.00 C ATOM 389 CD1 LEU A 25 -7.004 -0.123 2.937 1.00 0.00 C ATOM 390 CD2 LEU A 25 -4.595 -0.778 2.879 1.00 0.00 C ATOM 0 H LEU A 25 -8.189 -3.662 2.075 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.483 -3.424 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.388 -2.490 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.735 -2.561 4.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.099 -1.423 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.771 0.787 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.020 -0.441 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.924 0.072 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.361 0.132 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.517 -0.583 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.891 -1.562 2.601 1.00 0.00 H new ATOM 402 N ARG A 26 -6.048 -5.718 3.813 1.00 0.00 N ATOM 403 CA ARG A 26 -5.374 -6.784 4.605 1.00 0.00 C ATOM 404 C ARG A 26 -4.353 -7.502 3.723 1.00 0.00 C ATOM 405 O ARG A 26 -3.166 -7.479 3.983 1.00 0.00 O ATOM 406 CB ARG A 26 -6.416 -7.790 5.100 1.00 0.00 C ATOM 407 CG ARG A 26 -6.525 -7.708 6.624 1.00 0.00 C ATOM 408 CD ARG A 26 -7.319 -6.460 7.013 1.00 0.00 C ATOM 409 NE ARG A 26 -6.378 -5.383 7.430 1.00 0.00 N ATOM 410 CZ ARG A 26 -6.818 -4.168 7.616 1.00 0.00 C ATOM 411 NH1 ARG A 26 -7.761 -3.690 6.850 1.00 0.00 N ATOM 412 NH2 ARG A 26 -6.312 -3.430 8.566 1.00 0.00 N ATOM 0 H ARG A 26 -7.065 -5.783 3.773 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.867 -6.336 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.384 -7.580 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.134 -8.799 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.016 -8.600 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.531 -7.672 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.924 -6.123 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.006 -6.692 7.826 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.390 -5.595 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.154 -4.266 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.104 -2.741 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.573 -3.803 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.655 -2.481 8.712 1.00 0.00 H new ATOM 426 N ALA A 27 -4.805 -8.142 2.680 1.00 0.00 N ATOM 427 CA ALA A 27 -3.863 -8.862 1.780 1.00 0.00 C ATOM 428 C ALA A 27 -2.862 -7.869 1.186 1.00 0.00 C ATOM 429 O ALA A 27 -1.743 -8.217 0.868 1.00 0.00 O ATOM 430 CB ALA A 27 -4.649 -9.532 0.653 1.00 0.00 C ATOM 0 H ALA A 27 -5.788 -8.197 2.412 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.325 -9.620 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.960 -10.060 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.360 -10.241 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.187 -8.774 0.084 1.00 0.00 H new ATOM 436 N MET A 28 -3.255 -6.633 1.033 1.00 0.00 N ATOM 437 CA MET A 28 -2.323 -5.622 0.460 1.00 0.00 C ATOM 438 C MET A 28 -1.075 -5.522 1.340 1.00 0.00 C ATOM 439 O MET A 28 0.020 -5.309 0.859 1.00 0.00 O ATOM 440 CB MET A 28 -3.018 -4.259 0.403 1.00 0.00 C ATOM 441 CG MET A 28 -2.405 -3.419 -0.719 1.00 0.00 C ATOM 442 SD MET A 28 -3.318 -3.707 -2.255 1.00 0.00 S ATOM 443 CE MET A 28 -3.767 -1.984 -2.578 1.00 0.00 C ATOM 0 H MET A 28 -4.180 -6.281 1.280 1.00 0.00 H new ATOM 0 HA MET A 28 -2.035 -5.924 -0.547 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.086 -4.391 0.231 1.00 0.00 H new ATOM 0 HB3 MET A 28 -2.910 -3.744 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 28 -2.438 -2.362 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.355 -3.681 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 28 -4.222 -1.906 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.477 -1.645 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.873 -1.362 -2.540 1.00 0.00 H new ATOM 453 N GLU A 29 -1.231 -5.674 2.628 1.00 0.00 N ATOM 454 CA GLU A 29 -0.053 -5.587 3.535 1.00 0.00 C ATOM 455 C GLU A 29 0.953 -6.680 3.169 1.00 0.00 C ATOM 456 O GLU A 29 2.146 -6.453 3.133 1.00 0.00 O ATOM 457 CB GLU A 29 -0.507 -5.777 4.984 1.00 0.00 C ATOM 458 CG GLU A 29 -0.373 -4.453 5.739 1.00 0.00 C ATOM 459 CD GLU A 29 1.106 -4.075 5.851 1.00 0.00 C ATOM 460 OE1 GLU A 29 1.817 -4.756 6.572 1.00 0.00 O ATOM 461 OE2 GLU A 29 1.501 -3.112 5.215 1.00 0.00 O ATOM 0 H GLU A 29 -2.123 -5.854 3.090 1.00 0.00 H new ATOM 0 HA GLU A 29 0.416 -4.609 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.541 -6.120 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.096 -6.546 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.921 -3.668 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.812 -4.543 6.732 1.00 0.00 H new ATOM 468 N ALA A 30 0.480 -7.865 2.895 1.00 0.00 N ATOM 469 CA ALA A 30 1.406 -8.970 2.529 1.00 0.00 C ATOM 470 C ALA A 30 2.256 -8.543 1.332 1.00 0.00 C ATOM 471 O ALA A 30 3.470 -8.581 1.375 1.00 0.00 O ATOM 472 CB ALA A 30 0.587 -10.207 2.163 1.00 0.00 C ATOM 0 H ALA A 30 -0.509 -8.114 2.909 1.00 0.00 H new ATOM 0 HA ALA A 30 2.059 -9.200 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.259 -11.022 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.022 -10.506 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.062 -9.977 1.318 1.00 0.00 H new ATOM 478 N LYS A 31 1.628 -8.136 0.263 1.00 0.00 N ATOM 479 CA LYS A 31 2.398 -7.706 -0.935 1.00 0.00 C ATOM 480 C LYS A 31 3.250 -6.486 -0.581 1.00 0.00 C ATOM 481 O LYS A 31 4.209 -6.169 -1.256 1.00 0.00 O ATOM 482 CB LYS A 31 1.428 -7.341 -2.061 1.00 0.00 C ATOM 483 CG LYS A 31 0.529 -6.189 -1.608 1.00 0.00 C ATOM 484 CD LYS A 31 -0.180 -5.587 -2.823 1.00 0.00 C ATOM 485 CE LYS A 31 0.265 -4.134 -3.005 1.00 0.00 C ATOM 486 NZ LYS A 31 1.399 -4.079 -3.971 1.00 0.00 N ATOM 0 H LYS A 31 0.614 -8.083 0.169 1.00 0.00 H new ATOM 0 HA LYS A 31 3.045 -8.519 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.983 -7.054 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.821 -8.207 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.205 -6.548 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.123 -5.426 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.054 -6.165 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.260 -5.633 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.567 -3.531 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.569 -3.713 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.702 -3.092 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.194 -4.642 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.094 -4.465 -4.887 1.00 0.00 H new ATOM 500 N LEU A 32 2.908 -5.799 0.474 1.00 0.00 N ATOM 501 CA LEU A 32 3.696 -4.602 0.870 1.00 0.00 C ATOM 502 C LEU A 32 5.136 -5.018 1.178 1.00 0.00 C ATOM 503 O LEU A 32 6.080 -4.369 0.772 1.00 0.00 O ATOM 504 CB LEU A 32 3.070 -3.967 2.113 1.00 0.00 C ATOM 505 CG LEU A 32 3.670 -2.577 2.332 1.00 0.00 C ATOM 506 CD1 LEU A 32 2.577 -1.518 2.175 1.00 0.00 C ATOM 507 CD2 LEU A 32 4.261 -2.494 3.741 1.00 0.00 C ATOM 0 H LEU A 32 2.116 -6.017 1.078 1.00 0.00 H new ATOM 0 HA LEU A 32 3.694 -3.879 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.989 -3.893 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.251 -4.595 2.986 1.00 0.00 H new ATOM 0 HG LEU A 32 4.455 -2.400 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.005 -0.528 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.155 -1.577 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.792 -1.694 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.689 -1.504 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.476 -2.671 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.040 -3.248 3.854 1.00 0.00 H new ATOM 519 N LYS A 33 5.313 -6.096 1.892 1.00 0.00 N ATOM 520 CA LYS A 33 6.692 -6.550 2.223 1.00 0.00 C ATOM 521 C LYS A 33 7.500 -6.704 0.933 1.00 0.00 C ATOM 522 O LYS A 33 8.637 -6.285 0.847 1.00 0.00 O ATOM 523 CB LYS A 33 6.627 -7.896 2.948 1.00 0.00 C ATOM 524 CG LYS A 33 7.731 -7.958 4.006 1.00 0.00 C ATOM 525 CD LYS A 33 7.198 -7.417 5.334 1.00 0.00 C ATOM 526 CE LYS A 33 8.094 -6.274 5.814 1.00 0.00 C ATOM 527 NZ LYS A 33 7.380 -5.489 6.860 1.00 0.00 N ATOM 0 H LYS A 33 4.563 -6.681 2.260 1.00 0.00 H new ATOM 0 HA LYS A 33 7.172 -5.814 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.651 -8.022 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.746 -8.712 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.072 -8.986 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.592 -7.373 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.174 -7.064 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.173 -8.212 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.026 -6.672 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.358 -5.628 4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.989 -4.712 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.503 -5.098 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.150 -6.109 7.663 1.00 0.00 H new ATOM 541 N ALA A 34 6.920 -7.301 -0.071 1.00 0.00 N ATOM 542 CA ALA A 34 7.652 -7.481 -1.356 1.00 0.00 C ATOM 543 C ALA A 34 8.025 -6.111 -1.926 1.00 0.00 C ATOM 544 O ALA A 34 9.063 -5.942 -2.534 1.00 0.00 O ATOM 545 CB ALA A 34 6.759 -8.223 -2.353 1.00 0.00 C ATOM 0 H ALA A 34 5.970 -7.672 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 34 8.558 -8.060 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.295 -8.355 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.493 -9.199 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.852 -7.644 -2.530 1.00 0.00 H new ATOM 551 N GLU A 35 7.187 -5.130 -1.732 1.00 0.00 N ATOM 552 CA GLU A 35 7.496 -3.773 -2.261 1.00 0.00 C ATOM 553 C GLU A 35 8.751 -3.234 -1.570 1.00 0.00 C ATOM 554 O GLU A 35 9.614 -2.651 -2.196 1.00 0.00 O ATOM 555 CB GLU A 35 6.317 -2.836 -1.984 1.00 0.00 C ATOM 556 CG GLU A 35 5.281 -2.974 -3.102 1.00 0.00 C ATOM 557 CD GLU A 35 5.260 -1.694 -3.939 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.311 -1.093 -4.092 1.00 0.00 O ATOM 559 OE2 GLU A 35 4.195 -1.338 -4.414 1.00 0.00 O ATOM 0 H GLU A 35 6.302 -5.210 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 35 7.668 -3.830 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.864 -3.078 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.665 -1.805 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.523 -3.830 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.294 -3.160 -2.677 1.00 0.00 H new ATOM 566 N ILE A 36 8.861 -3.426 -0.283 1.00 0.00 N ATOM 567 CA ILE A 36 10.061 -2.927 0.444 1.00 0.00 C ATOM 568 C ILE A 36 11.322 -3.478 -0.220 1.00 0.00 C ATOM 569 O ILE A 36 12.197 -2.740 -0.627 1.00 0.00 O ATOM 570 CB ILE A 36 10.008 -3.390 1.901 1.00 0.00 C ATOM 571 CG1 ILE A 36 8.820 -2.725 2.603 1.00 0.00 C ATOM 572 CG2 ILE A 36 11.303 -2.990 2.611 1.00 0.00 C ATOM 573 CD1 ILE A 36 8.749 -3.206 4.053 1.00 0.00 C ATOM 0 H ILE A 36 8.172 -3.907 0.295 1.00 0.00 H new ATOM 0 HA ILE A 36 10.078 -1.838 0.412 1.00 0.00 H new ATOM 0 HB ILE A 36 9.894 -4.473 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.927 -1.641 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.894 -2.968 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.266 -3.320 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.151 -3.458 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.416 -1.906 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.904 -2.733 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.622 -4.288 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.671 -2.940 4.570 1.00 0.00 H new ATOM 585 N GLN A 37 11.420 -4.771 -0.331 1.00 0.00 N ATOM 586 CA GLN A 37 12.622 -5.376 -0.970 1.00 0.00 C ATOM 587 C GLN A 37 12.864 -4.711 -2.326 1.00 0.00 C ATOM 588 O GLN A 37 13.878 -4.079 -2.546 1.00 0.00 O ATOM 589 CB GLN A 37 12.395 -6.876 -1.168 1.00 0.00 C ATOM 590 CG GLN A 37 13.746 -7.590 -1.246 1.00 0.00 C ATOM 591 CD GLN A 37 14.319 -7.755 0.163 1.00 0.00 C ATOM 592 OE1 GLN A 37 13.582 -7.844 1.125 1.00 0.00 O ATOM 593 NE2 GLN A 37 15.613 -7.800 0.327 1.00 0.00 N ATOM 0 H GLN A 37 10.719 -5.437 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 37 13.491 -5.224 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.806 -7.278 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.826 -7.051 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.627 -8.565 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.436 -7.018 -1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.232 -7.725 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.005 -7.910 1.262 1.00 0.00 H new ATOM 602 N LYS A 38 11.941 -4.849 -3.238 1.00 0.00 N ATOM 603 CA LYS A 38 12.118 -4.226 -4.577 1.00 0.00 C ATOM 604 C LYS A 38 12.045 -2.703 -4.445 1.00 0.00 C ATOM 605 O LYS A 38 11.246 -2.063 -5.099 1.00 0.00 O ATOM 606 CB LYS A 38 11.013 -4.711 -5.517 1.00 0.00 C ATOM 607 CG LYS A 38 11.296 -6.156 -5.933 1.00 0.00 C ATOM 608 CD LYS A 38 10.083 -6.724 -6.672 1.00 0.00 C ATOM 609 CE LYS A 38 10.349 -8.184 -7.042 1.00 0.00 C ATOM 610 NZ LYS A 38 9.625 -9.078 -6.094 1.00 0.00 N ATOM 0 H LYS A 38 11.071 -5.367 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 38 13.089 -4.509 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.045 -4.647 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.963 -4.071 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.176 -6.195 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.515 -6.762 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.195 -6.653 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.885 -6.140 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.020 -8.377 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.419 -8.390 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.806 -10.071 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.959 -8.900 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.604 -8.888 -6.149 1.00 0.00 H new