USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 157:sc= -0.157 (180deg=-1.02) USER MOD Single : A 1 THR OG1 : rot 180:sc=-0.000808 USER MOD Single : A 4 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5.63! C(o=-5.6!,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 69:sc= -4.2! USER MOD Single : A 30 ASN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 33 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.54) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 42 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.56) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -6.53! (180deg=-9.18!) USER MOD Single : A 46 ASN : amide:sc= -2.29! C(o=-2.3!,f=-6.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.129 21.981 -9.073 1.00 0.00 N ATOM 2 CA THR A 1 7.797 22.975 -8.013 1.00 0.00 C ATOM 3 C THR A 1 6.672 22.434 -7.133 1.00 0.00 C ATOM 4 O THR A 1 5.823 21.690 -7.582 1.00 0.00 O ATOM 5 CB THR A 1 7.343 24.283 -8.658 1.00 0.00 C ATOM 6 OG1 THR A 1 6.788 25.129 -7.660 1.00 0.00 O ATOM 7 CG2 THR A 1 6.285 23.986 -9.721 1.00 0.00 C ATOM 0 H1 THR A 1 8.582 22.466 -9.874 1.00 0.00 H new ATOM 0 H2 THR A 1 8.780 21.267 -8.688 1.00 0.00 H new ATOM 0 H3 THR A 1 7.257 21.516 -9.398 1.00 0.00 H new ATOM 0 HA THR A 1 8.683 23.155 -7.404 1.00 0.00 H new ATOM 0 HB THR A 1 8.195 24.777 -9.124 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.497 25.970 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.960 24.919 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.709 23.333 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.430 23.494 -9.256 1.00 0.00 H new ATOM 17 N ILE A 2 6.659 22.812 -5.882 1.00 0.00 N ATOM 18 CA ILE A 2 5.593 22.334 -4.956 1.00 0.00 C ATOM 19 C ILE A 2 5.291 20.862 -5.231 1.00 0.00 C ATOM 20 O ILE A 2 4.174 20.406 -5.097 1.00 0.00 O ATOM 21 CB ILE A 2 4.325 23.178 -5.146 1.00 0.00 C ATOM 22 CG1 ILE A 2 3.170 22.616 -4.300 1.00 0.00 C ATOM 23 CG2 ILE A 2 3.917 23.159 -6.621 1.00 0.00 C ATOM 24 CD1 ILE A 2 3.696 22.049 -2.975 1.00 0.00 C ATOM 0 H ILE A 2 7.347 23.436 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 2 5.936 22.438 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 2 4.536 24.199 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.442 23.402 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.652 21.835 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.017 23.758 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.723 23.573 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.720 22.133 -6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.863 21.656 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.406 21.248 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.193 22.840 -2.413 1.00 0.00 H new ATOM 36 N ASP A 3 6.286 20.105 -5.596 1.00 0.00 N ATOM 37 CA ASP A 3 6.057 18.659 -5.851 1.00 0.00 C ATOM 38 C ASP A 3 6.310 17.902 -4.547 1.00 0.00 C ATOM 39 O ASP A 3 6.571 16.716 -4.537 1.00 0.00 O ATOM 40 CB ASP A 3 7.019 18.167 -6.935 1.00 0.00 C ATOM 41 CG ASP A 3 6.440 18.496 -8.312 1.00 0.00 C ATOM 42 OD1 ASP A 3 5.258 18.788 -8.381 1.00 0.00 O ATOM 43 OD2 ASP A 3 7.188 18.450 -9.275 1.00 0.00 O ATOM 0 H ASP A 3 7.245 20.425 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 3 5.035 18.490 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.993 18.641 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.173 17.092 -6.840 1.00 0.00 H new ATOM 48 N GLN A 4 6.237 18.600 -3.443 1.00 0.00 N ATOM 49 CA GLN A 4 6.473 17.961 -2.122 1.00 0.00 C ATOM 50 C GLN A 4 5.131 17.668 -1.449 1.00 0.00 C ATOM 51 O GLN A 4 4.715 18.363 -0.544 1.00 0.00 O ATOM 52 CB GLN A 4 7.279 18.919 -1.246 1.00 0.00 C ATOM 53 CG GLN A 4 8.772 18.626 -1.405 1.00 0.00 C ATOM 54 CD GLN A 4 9.434 18.589 -0.027 1.00 0.00 C ATOM 55 OE1 GLN A 4 8.769 18.700 0.984 1.00 0.00 O ATOM 56 NE2 GLN A 4 10.727 18.436 0.057 1.00 0.00 N ATOM 0 H GLN A 4 6.021 19.596 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 4 7.021 17.028 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.068 19.951 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.985 18.808 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.914 17.673 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.240 19.391 -2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.286 18.343 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.179 18.410 0.971 1.00 0.00 H new ATOM 65 N TRP A 5 4.453 16.645 -1.880 1.00 0.00 N ATOM 66 CA TRP A 5 3.140 16.307 -1.260 1.00 0.00 C ATOM 67 C TRP A 5 3.342 15.213 -0.217 1.00 0.00 C ATOM 68 O TRP A 5 2.732 15.222 0.834 1.00 0.00 O ATOM 69 CB TRP A 5 2.158 15.816 -2.330 1.00 0.00 C ATOM 70 CG TRP A 5 2.899 15.222 -3.486 1.00 0.00 C ATOM 71 CD1 TRP A 5 3.148 15.860 -4.652 1.00 0.00 C ATOM 72 CD2 TRP A 5 3.494 13.896 -3.611 1.00 0.00 C ATOM 73 NE1 TRP A 5 3.850 15.010 -5.489 1.00 0.00 N ATOM 74 CE2 TRP A 5 4.086 13.787 -4.892 1.00 0.00 C ATOM 75 CE3 TRP A 5 3.573 12.786 -2.748 1.00 0.00 C ATOM 76 CZ2 TRP A 5 4.733 12.623 -5.304 1.00 0.00 C ATOM 77 CZ3 TRP A 5 4.224 11.612 -3.160 1.00 0.00 C ATOM 78 CH2 TRP A 5 4.801 11.531 -4.435 1.00 0.00 C ATOM 0 H TRP A 5 4.749 16.026 -2.635 1.00 0.00 H new ATOM 0 HA TRP A 5 2.730 17.199 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.485 15.074 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.540 16.646 -2.674 1.00 0.00 H new ATOM 0 HD1 TRP A 5 2.848 16.869 -4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 5 4.155 15.256 -6.431 1.00 0.00 H new ATOM 0 HE3 TRP A 5 3.131 12.838 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 5.178 12.566 -6.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 4.280 10.766 -2.491 1.00 0.00 H new ATOM 0 HH2 TRP A 5 5.298 10.624 -4.746 1.00 0.00 H new ATOM 89 N LEU A 6 4.198 14.273 -0.495 1.00 0.00 N ATOM 90 CA LEU A 6 4.444 13.180 0.481 1.00 0.00 C ATOM 91 C LEU A 6 3.156 12.392 0.711 1.00 0.00 C ATOM 92 O LEU A 6 2.409 12.664 1.628 1.00 0.00 O ATOM 93 CB LEU A 6 4.909 13.784 1.806 1.00 0.00 C ATOM 94 CG LEU A 6 6.428 13.658 1.915 1.00 0.00 C ATOM 95 CD1 LEU A 6 7.079 14.226 0.654 1.00 0.00 C ATOM 96 CD2 LEU A 6 6.923 14.437 3.136 1.00 0.00 C ATOM 0 H LEU A 6 4.739 14.215 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 6 5.210 12.511 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.615 14.832 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.430 13.272 2.640 1.00 0.00 H new ATOM 0 HG LEU A 6 6.695 12.607 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.162 14.136 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.730 13.671 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.809 15.277 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.007 14.345 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.654 15.488 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.461 14.033 4.037 1.00 0.00 H new ATOM 108 N LEU A 7 2.894 11.413 -0.111 1.00 0.00 N ATOM 109 CA LEU A 7 1.656 10.604 0.070 1.00 0.00 C ATOM 110 C LEU A 7 1.933 9.493 1.081 1.00 0.00 C ATOM 111 O LEU A 7 1.606 8.344 0.861 1.00 0.00 O ATOM 112 CB LEU A 7 1.238 9.981 -1.264 1.00 0.00 C ATOM 113 CG LEU A 7 -0.129 9.313 -1.102 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.225 10.377 -1.169 1.00 0.00 C ATOM 115 CD2 LEU A 7 -0.338 8.293 -2.224 1.00 0.00 C ATOM 0 H LEU A 7 3.482 11.139 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 7 0.853 11.247 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.192 10.747 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.978 9.248 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.173 8.804 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.200 9.903 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.077 11.102 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.180 10.885 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.312 7.818 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.294 8.799 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.443 7.535 -2.176 1.00 0.00 H new ATOM 127 N LYS A 8 2.540 9.823 2.187 1.00 0.00 N ATOM 128 CA LYS A 8 2.841 8.784 3.205 1.00 0.00 C ATOM 129 C LYS A 8 1.724 8.749 4.251 1.00 0.00 C ATOM 130 O LYS A 8 1.611 7.818 5.022 1.00 0.00 O ATOM 131 CB LYS A 8 4.166 9.112 3.887 1.00 0.00 C ATOM 132 CG LYS A 8 5.308 8.906 2.891 1.00 0.00 C ATOM 133 CD LYS A 8 5.819 10.268 2.412 1.00 0.00 C ATOM 134 CE LYS A 8 7.143 10.084 1.665 1.00 0.00 C ATOM 135 NZ LYS A 8 8.260 10.012 2.648 1.00 0.00 N ATOM 0 H LYS A 8 2.840 10.768 2.428 1.00 0.00 H new ATOM 0 HA LYS A 8 2.911 7.811 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.160 10.142 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.308 8.473 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.117 8.346 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.963 8.316 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.082 10.735 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.959 10.935 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.112 9.174 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.303 10.914 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.160 9.887 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.293 10.892 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.108 9.206 3.288 1.00 0.00 H new ATOM 149 N ASN A 9 0.906 9.766 4.278 1.00 0.00 N ATOM 150 CA ASN A 9 -0.212 9.823 5.268 1.00 0.00 C ATOM 151 C ASN A 9 -0.826 8.433 5.470 1.00 0.00 C ATOM 152 O ASN A 9 -0.400 7.674 6.319 1.00 0.00 O ATOM 153 CB ASN A 9 -1.295 10.785 4.764 1.00 0.00 C ATOM 154 CG ASN A 9 -1.260 10.865 3.233 1.00 0.00 C ATOM 155 OD1 ASN A 9 -1.548 11.898 2.663 1.00 0.00 O ATOM 156 ND2 ASN A 9 -0.917 9.813 2.540 1.00 0.00 N ATOM 0 H ASN A 9 0.964 10.568 3.651 1.00 0.00 H new ATOM 0 HA ASN A 9 0.185 10.175 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.276 10.446 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.139 11.776 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.891 9.859 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.675 8.945 3.017 1.00 0.00 H new ATOM 163 N ALA A 10 -1.836 8.100 4.710 1.00 0.00 N ATOM 164 CA ALA A 10 -2.490 6.769 4.872 1.00 0.00 C ATOM 165 C ALA A 10 -1.562 5.644 4.396 1.00 0.00 C ATOM 166 O ALA A 10 -1.918 4.484 4.438 1.00 0.00 O ATOM 167 CB ALA A 10 -3.782 6.738 4.053 1.00 0.00 C ATOM 0 H ALA A 10 -2.236 8.693 3.983 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.710 6.616 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.263 5.767 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.455 7.520 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.550 6.905 3.001 1.00 0.00 H new ATOM 173 N LYS A 11 -0.384 5.965 3.939 1.00 0.00 N ATOM 174 CA LYS A 11 0.542 4.902 3.462 1.00 0.00 C ATOM 175 C LYS A 11 0.561 3.723 4.444 1.00 0.00 C ATOM 176 O LYS A 11 0.018 2.672 4.170 1.00 0.00 O ATOM 177 CB LYS A 11 1.942 5.494 3.335 1.00 0.00 C ATOM 178 CG LYS A 11 2.781 4.640 2.388 1.00 0.00 C ATOM 179 CD LYS A 11 3.449 3.509 3.173 1.00 0.00 C ATOM 180 CE LYS A 11 4.963 3.724 3.193 1.00 0.00 C ATOM 181 NZ LYS A 11 5.546 3.287 1.893 1.00 0.00 N ATOM 0 H LYS A 11 -0.023 6.917 3.875 1.00 0.00 H new ATOM 0 HA LYS A 11 0.202 4.533 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.882 6.516 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.417 5.541 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.151 4.227 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.538 5.255 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.062 3.481 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.214 2.548 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.189 4.776 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.410 3.160 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.361 2.666 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.828 2.769 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.856 4.121 1.354 1.00 0.00 H new ATOM 195 N GLU A 12 1.193 3.878 5.578 1.00 0.00 N ATOM 196 CA GLU A 12 1.255 2.751 6.556 1.00 0.00 C ATOM 197 C GLU A 12 -0.085 2.599 7.276 1.00 0.00 C ATOM 198 O GLU A 12 -0.291 1.674 8.037 1.00 0.00 O ATOM 199 CB GLU A 12 2.356 3.028 7.579 1.00 0.00 C ATOM 200 CG GLU A 12 3.714 2.768 6.929 1.00 0.00 C ATOM 201 CD GLU A 12 4.832 3.075 7.927 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.548 3.112 9.113 1.00 0.00 O ATOM 203 OE2 GLU A 12 5.954 3.268 7.489 1.00 0.00 O ATOM 0 H GLU A 12 1.667 4.733 5.869 1.00 0.00 H new ATOM 0 HA GLU A 12 1.473 1.827 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.296 4.059 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.228 2.389 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.779 1.730 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.827 3.388 6.040 1.00 0.00 H new ATOM 210 N ASP A 13 -0.999 3.494 7.040 1.00 0.00 N ATOM 211 CA ASP A 13 -2.327 3.395 7.710 1.00 0.00 C ATOM 212 C ASP A 13 -3.101 2.207 7.129 1.00 0.00 C ATOM 213 O ASP A 13 -3.692 1.426 7.850 1.00 0.00 O ATOM 214 CB ASP A 13 -3.108 4.689 7.473 1.00 0.00 C ATOM 215 CG ASP A 13 -4.004 4.978 8.678 1.00 0.00 C ATOM 216 OD1 ASP A 13 -3.509 5.548 9.636 1.00 0.00 O ATOM 217 OD2 ASP A 13 -5.171 4.628 8.620 1.00 0.00 O ATOM 0 H ASP A 13 -0.887 4.291 6.413 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.191 3.246 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.418 5.518 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.713 4.600 6.571 1.00 0.00 H new ATOM 222 N ALA A 14 -3.098 2.064 5.833 1.00 0.00 N ATOM 223 CA ALA A 14 -3.825 0.926 5.202 1.00 0.00 C ATOM 224 C ALA A 14 -2.904 -0.290 5.143 1.00 0.00 C ATOM 225 O ALA A 14 -3.343 -1.418 5.220 1.00 0.00 O ATOM 226 CB ALA A 14 -4.226 1.310 3.783 1.00 0.00 C ATOM 0 H ALA A 14 -2.622 2.688 5.181 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.713 0.691 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.758 0.480 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.874 2.186 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.333 1.539 3.202 1.00 0.00 H new ATOM 232 N ILE A 15 -1.630 -0.061 5.001 1.00 0.00 N ATOM 233 CA ILE A 15 -0.661 -1.190 4.938 1.00 0.00 C ATOM 234 C ILE A 15 -0.706 -1.959 6.255 1.00 0.00 C ATOM 235 O ILE A 15 -0.434 -3.141 6.318 1.00 0.00 O ATOM 236 CB ILE A 15 0.739 -0.620 4.762 1.00 0.00 C ATOM 237 CG1 ILE A 15 0.873 -0.032 3.364 1.00 0.00 C ATOM 238 CG2 ILE A 15 1.773 -1.727 4.957 1.00 0.00 C ATOM 239 CD1 ILE A 15 2.309 0.443 3.156 1.00 0.00 C ATOM 0 H ILE A 15 -1.214 0.867 4.925 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.913 -1.850 4.108 1.00 0.00 H new ATOM 0 HB ILE A 15 0.909 0.162 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.612 -0.780 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.180 0.800 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.775 -1.316 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.676 -2.143 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.608 -2.513 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.411 0.865 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.552 1.204 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.991 -0.401 3.265 1.00 0.00 H new ATOM 251 N ALA A 16 -1.034 -1.275 7.309 1.00 0.00 N ATOM 252 CA ALA A 16 -1.088 -1.929 8.653 1.00 0.00 C ATOM 253 C ALA A 16 -2.149 -3.033 8.660 1.00 0.00 C ATOM 254 O ALA A 16 -2.233 -3.818 9.582 1.00 0.00 O ATOM 255 CB ALA A 16 -1.438 -0.884 9.715 1.00 0.00 C ATOM 0 H ALA A 16 -1.270 -0.283 7.304 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.115 -2.368 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.478 -1.360 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.678 -0.103 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.408 -0.444 9.486 1.00 0.00 H new ATOM 261 N GLU A 17 -2.961 -3.093 7.645 1.00 0.00 N ATOM 262 CA GLU A 17 -4.019 -4.136 7.591 1.00 0.00 C ATOM 263 C GLU A 17 -3.575 -5.268 6.659 1.00 0.00 C ATOM 264 O GLU A 17 -4.095 -6.365 6.705 1.00 0.00 O ATOM 265 CB GLU A 17 -5.307 -3.500 7.063 1.00 0.00 C ATOM 266 CG GLU A 17 -6.296 -4.592 6.658 1.00 0.00 C ATOM 267 CD GLU A 17 -7.622 -3.954 6.243 1.00 0.00 C ATOM 268 OE1 GLU A 17 -7.602 -2.807 5.827 1.00 0.00 O ATOM 269 OE2 GLU A 17 -8.638 -4.622 6.349 1.00 0.00 O ATOM 0 H GLU A 17 -2.937 -2.460 6.845 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.192 -4.546 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.749 -2.862 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.084 -2.863 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.889 -5.178 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.456 -5.279 7.489 1.00 0.00 H new ATOM 276 N LEU A 18 -2.615 -5.007 5.811 1.00 0.00 N ATOM 277 CA LEU A 18 -2.131 -6.062 4.873 1.00 0.00 C ATOM 278 C LEU A 18 -0.989 -6.847 5.520 1.00 0.00 C ATOM 279 O LEU A 18 -1.032 -8.056 5.627 1.00 0.00 O ATOM 280 CB LEU A 18 -1.606 -5.405 3.597 1.00 0.00 C ATOM 281 CG LEU A 18 -2.765 -5.062 2.667 1.00 0.00 C ATOM 282 CD1 LEU A 18 -3.400 -6.348 2.137 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.810 -4.248 3.433 1.00 0.00 C ATOM 0 H LEU A 18 -2.144 -4.106 5.728 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.957 -6.734 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.050 -4.501 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.912 -6.077 3.092 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.393 -4.475 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.228 -6.098 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.654 -6.922 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.771 -6.941 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.639 -4.003 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.181 -4.832 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.356 -3.328 3.802 1.00 0.00 H new ATOM 295 N LYS A 19 0.042 -6.165 5.933 1.00 0.00 N ATOM 296 CA LYS A 19 1.203 -6.858 6.560 1.00 0.00 C ATOM 297 C LYS A 19 0.713 -7.813 7.650 1.00 0.00 C ATOM 298 O LYS A 19 1.332 -8.822 7.926 1.00 0.00 O ATOM 299 CB LYS A 19 2.139 -5.817 7.173 1.00 0.00 C ATOM 300 CG LYS A 19 3.367 -6.514 7.763 1.00 0.00 C ATOM 301 CD LYS A 19 4.331 -5.464 8.317 1.00 0.00 C ATOM 302 CE LYS A 19 5.715 -6.089 8.511 1.00 0.00 C ATOM 303 NZ LYS A 19 6.639 -5.582 7.459 1.00 0.00 N ATOM 0 H LYS A 19 0.131 -5.151 5.863 1.00 0.00 H new ATOM 0 HA LYS A 19 1.736 -7.430 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.446 -5.098 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.618 -5.257 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.064 -7.199 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.863 -7.111 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.396 -4.618 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.959 -5.079 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.102 -5.843 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.646 -7.175 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.580 -6.006 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.271 -5.838 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.713 -4.547 7.531 1.00 0.00 H new ATOM 317 N LYS A 20 -0.388 -7.505 8.278 1.00 0.00 N ATOM 318 CA LYS A 20 -0.903 -8.402 9.351 1.00 0.00 C ATOM 319 C LYS A 20 -1.779 -9.495 8.734 1.00 0.00 C ATOM 320 O LYS A 20 -1.876 -10.591 9.250 1.00 0.00 O ATOM 321 CB LYS A 20 -1.730 -7.585 10.347 1.00 0.00 C ATOM 322 CG LYS A 20 -1.975 -8.417 11.606 1.00 0.00 C ATOM 323 CD LYS A 20 -1.576 -7.606 12.839 1.00 0.00 C ATOM 324 CE LYS A 20 -2.514 -7.948 13.997 1.00 0.00 C ATOM 325 NZ LYS A 20 -2.066 -9.213 14.644 1.00 0.00 N ATOM 0 H LYS A 20 -0.952 -6.675 8.096 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.062 -8.864 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.206 -6.664 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.680 -7.297 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.026 -8.701 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.398 -9.340 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.545 -7.826 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.626 -6.540 12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.520 -7.137 14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.535 -8.056 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.704 -9.445 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.082 -9.984 13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.098 -9.094 15.006 1.00 0.00 H new ATOM 339 N ALA A 21 -2.419 -9.205 7.635 1.00 0.00 N ATOM 340 CA ALA A 21 -3.291 -10.226 6.985 1.00 0.00 C ATOM 341 C ALA A 21 -2.429 -11.360 6.425 1.00 0.00 C ATOM 342 O ALA A 21 -2.829 -12.508 6.413 1.00 0.00 O ATOM 343 CB ALA A 21 -4.073 -9.571 5.844 1.00 0.00 C ATOM 0 H ALA A 21 -2.376 -8.304 7.158 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.985 -10.631 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.711 -10.314 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.690 -8.765 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.376 -9.167 5.110 1.00 0.00 H new ATOM 349 N GLY A 22 -1.250 -11.049 5.960 1.00 0.00 N ATOM 350 CA GLY A 22 -0.367 -12.110 5.399 1.00 0.00 C ATOM 351 C GLY A 22 0.167 -11.660 4.038 1.00 0.00 C ATOM 352 O GLY A 22 1.337 -11.795 3.742 1.00 0.00 O ATOM 0 H GLY A 22 -0.860 -10.106 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.461 -12.307 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.922 -13.042 5.294 1.00 0.00 H new ATOM 356 N ILE A 23 -0.686 -11.126 3.205 1.00 0.00 N ATOM 357 CA ILE A 23 -0.229 -10.667 1.862 1.00 0.00 C ATOM 358 C ILE A 23 1.071 -9.874 2.008 1.00 0.00 C ATOM 359 O ILE A 23 1.214 -9.053 2.892 1.00 0.00 O ATOM 360 CB ILE A 23 -1.304 -9.777 1.236 1.00 0.00 C ATOM 361 CG1 ILE A 23 -2.512 -10.635 0.856 1.00 0.00 C ATOM 362 CG2 ILE A 23 -0.743 -9.102 -0.017 1.00 0.00 C ATOM 363 CD1 ILE A 23 -3.731 -9.736 0.644 1.00 0.00 C ATOM 0 H ILE A 23 -1.678 -10.988 3.397 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.055 -11.532 1.222 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.608 -9.014 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.300 -11.198 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.716 -11.363 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.509 -8.468 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.120 -8.493 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.439 -9.863 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.592 -10.348 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.947 -9.193 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.524 -9.026 -0.157 1.00 0.00 H new ATOM 375 N THR A 24 2.021 -10.113 1.146 1.00 0.00 N ATOM 376 CA THR A 24 3.310 -9.372 1.238 1.00 0.00 C ATOM 377 C THR A 24 3.762 -8.959 -0.165 1.00 0.00 C ATOM 378 O THR A 24 4.934 -8.764 -0.418 1.00 0.00 O ATOM 379 CB THR A 24 4.372 -10.273 1.872 1.00 0.00 C ATOM 380 OG1 THR A 24 4.500 -11.465 1.111 1.00 0.00 O ATOM 381 CG2 THR A 24 3.961 -10.621 3.302 1.00 0.00 C ATOM 0 H THR A 24 1.960 -10.788 0.384 1.00 0.00 H new ATOM 0 HA THR A 24 3.175 -8.482 1.853 1.00 0.00 H new ATOM 0 HB THR A 24 5.328 -9.749 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.182 -12.041 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.718 -11.263 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.867 -9.706 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.004 -11.143 3.289 1.00 0.00 H new ATOM 389 N SER A 25 2.840 -8.825 -1.079 1.00 0.00 N ATOM 390 CA SER A 25 3.215 -8.425 -2.464 1.00 0.00 C ATOM 391 C SER A 25 3.787 -7.006 -2.444 1.00 0.00 C ATOM 392 O SER A 25 3.515 -6.230 -1.550 1.00 0.00 O ATOM 393 CB SER A 25 1.976 -8.465 -3.360 1.00 0.00 C ATOM 394 OG SER A 25 2.376 -8.367 -4.721 1.00 0.00 O ATOM 0 H SER A 25 1.843 -8.975 -0.926 1.00 0.00 H new ATOM 0 HA SER A 25 3.964 -9.114 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.425 -9.391 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.304 -7.645 -3.107 1.00 0.00 H new ATOM 0 HG SER A 25 1.584 -8.394 -5.298 1.00 0.00 H new ATOM 400 N ASP A 26 4.578 -6.660 -3.423 1.00 0.00 N ATOM 401 CA ASP A 26 5.168 -5.293 -3.457 1.00 0.00 C ATOM 402 C ASP A 26 4.319 -4.390 -4.353 1.00 0.00 C ATOM 403 O ASP A 26 4.537 -3.200 -4.434 1.00 0.00 O ATOM 404 CB ASP A 26 6.593 -5.365 -4.010 1.00 0.00 C ATOM 405 CG ASP A 26 7.480 -6.135 -3.030 1.00 0.00 C ATOM 406 OD1 ASP A 26 7.479 -5.786 -1.862 1.00 0.00 O ATOM 407 OD2 ASP A 26 8.143 -7.061 -3.465 1.00 0.00 O ATOM 0 H ASP A 26 4.841 -7.266 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 26 5.190 -4.884 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.593 -5.858 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.987 -4.360 -4.162 1.00 0.00 H new ATOM 412 N PHE A 27 3.353 -4.942 -5.030 1.00 0.00 N ATOM 413 CA PHE A 27 2.497 -4.102 -5.907 1.00 0.00 C ATOM 414 C PHE A 27 1.420 -3.425 -5.053 1.00 0.00 C ATOM 415 O PHE A 27 0.820 -2.446 -5.449 1.00 0.00 O ATOM 416 CB PHE A 27 1.848 -4.984 -6.976 1.00 0.00 C ATOM 417 CG PHE A 27 0.716 -4.234 -7.634 1.00 0.00 C ATOM 418 CD1 PHE A 27 0.927 -2.938 -8.114 1.00 0.00 C ATOM 419 CD2 PHE A 27 -0.541 -4.835 -7.762 1.00 0.00 C ATOM 420 CE1 PHE A 27 -0.119 -2.239 -8.723 1.00 0.00 C ATOM 421 CE2 PHE A 27 -1.591 -4.136 -8.373 1.00 0.00 C ATOM 422 CZ PHE A 27 -1.379 -2.838 -8.855 1.00 0.00 C ATOM 0 H PHE A 27 3.120 -5.935 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 27 3.099 -3.337 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.588 -5.272 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.475 -5.904 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.898 -2.477 -8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.702 -5.836 -7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.044 -1.237 -9.092 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.562 -4.598 -8.472 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.186 -2.299 -9.328 1.00 0.00 H new ATOM 432 N TYR A 28 1.170 -3.949 -3.883 1.00 0.00 N ATOM 433 CA TYR A 28 0.134 -3.352 -2.990 1.00 0.00 C ATOM 434 C TYR A 28 0.802 -2.434 -1.974 1.00 0.00 C ATOM 435 O TYR A 28 0.155 -1.674 -1.284 1.00 0.00 O ATOM 436 CB TYR A 28 -0.605 -4.478 -2.261 1.00 0.00 C ATOM 437 CG TYR A 28 -1.318 -5.347 -3.270 1.00 0.00 C ATOM 438 CD1 TYR A 28 -1.580 -4.857 -4.556 1.00 0.00 C ATOM 439 CD2 TYR A 28 -1.728 -6.640 -2.919 1.00 0.00 C ATOM 440 CE1 TYR A 28 -2.248 -5.654 -5.487 1.00 0.00 C ATOM 441 CE2 TYR A 28 -2.396 -7.442 -3.852 1.00 0.00 C ATOM 442 CZ TYR A 28 -2.658 -6.946 -5.138 1.00 0.00 C ATOM 443 OH TYR A 28 -3.316 -7.731 -6.061 1.00 0.00 O ATOM 0 H TYR A 28 1.642 -4.770 -3.505 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.574 -2.772 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.100 -5.076 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.322 -4.059 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.264 -3.860 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.528 -7.018 -1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.449 -5.273 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.709 -8.440 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.695 -7.986 -6.775 1.00 0.00 H new ATOM 453 N PHE A 29 2.094 -2.496 -1.879 1.00 0.00 N ATOM 454 CA PHE A 29 2.808 -1.625 -0.907 1.00 0.00 C ATOM 455 C PHE A 29 3.648 -0.599 -1.665 1.00 0.00 C ATOM 456 O PHE A 29 3.587 0.586 -1.403 1.00 0.00 O ATOM 457 CB PHE A 29 3.709 -2.493 -0.029 1.00 0.00 C ATOM 458 CG PHE A 29 2.864 -3.233 0.985 1.00 0.00 C ATOM 459 CD1 PHE A 29 1.762 -2.603 1.581 1.00 0.00 C ATOM 460 CD2 PHE A 29 3.181 -4.553 1.331 1.00 0.00 C ATOM 461 CE1 PHE A 29 0.983 -3.288 2.514 1.00 0.00 C ATOM 462 CE2 PHE A 29 2.397 -5.238 2.268 1.00 0.00 C ATOM 463 CZ PHE A 29 1.298 -4.603 2.859 1.00 0.00 C ATOM 0 H PHE A 29 2.690 -3.112 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 29 2.088 -1.099 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.261 -3.203 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.446 -1.872 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.516 -1.585 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.029 -5.042 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.135 -2.800 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.640 -6.256 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.694 -5.131 3.582 1.00 0.00 H new ATOM 473 N ASN A 30 4.424 -1.049 -2.605 1.00 0.00 N ATOM 474 CA ASN A 30 5.266 -0.110 -3.397 1.00 0.00 C ATOM 475 C ASN A 30 4.361 0.862 -4.157 1.00 0.00 C ATOM 476 O ASN A 30 4.644 2.039 -4.262 1.00 0.00 O ATOM 477 CB ASN A 30 6.101 -0.907 -4.401 1.00 0.00 C ATOM 478 CG ASN A 30 7.502 -0.303 -4.497 1.00 0.00 C ATOM 479 OD1 ASN A 30 8.081 0.082 -3.500 1.00 0.00 O ATOM 480 ND2 ASN A 30 8.075 -0.202 -5.664 1.00 0.00 N ATOM 0 H ASN A 30 4.514 -2.032 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 30 5.924 0.446 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.164 -1.950 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.621 -0.895 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.009 0.200 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.589 -0.525 -6.500 1.00 0.00 H new ATOM 487 N ALA A 31 3.278 0.373 -4.695 1.00 0.00 N ATOM 488 CA ALA A 31 2.353 1.259 -5.456 1.00 0.00 C ATOM 489 C ALA A 31 1.443 2.018 -4.486 1.00 0.00 C ATOM 490 O ALA A 31 0.616 2.813 -4.888 1.00 0.00 O ATOM 491 CB ALA A 31 1.495 0.406 -6.393 1.00 0.00 C ATOM 0 H ALA A 31 2.993 -0.605 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 31 2.935 1.975 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.816 1.050 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.140 -0.132 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.917 -0.309 -5.807 1.00 0.00 H new ATOM 497 N ILE A 32 1.582 1.776 -3.210 1.00 0.00 N ATOM 498 CA ILE A 32 0.721 2.477 -2.217 1.00 0.00 C ATOM 499 C ILE A 32 1.217 3.921 -2.032 1.00 0.00 C ATOM 500 O ILE A 32 0.476 4.867 -2.206 1.00 0.00 O ATOM 501 CB ILE A 32 0.752 1.687 -0.889 1.00 0.00 C ATOM 502 CG1 ILE A 32 -0.673 1.216 -0.561 1.00 0.00 C ATOM 503 CG2 ILE A 32 1.290 2.549 0.264 1.00 0.00 C ATOM 504 CD1 ILE A 32 -0.772 0.837 0.919 1.00 0.00 C ATOM 0 H ILE A 32 2.256 1.122 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.310 2.525 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 32 1.419 0.833 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.388 2.006 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.934 0.359 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.298 1.963 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.304 2.875 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.650 3.421 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.786 0.504 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.070 0.032 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.531 1.704 1.534 1.00 0.00 H new ATOM 516 N ASN A 33 2.465 4.095 -1.683 1.00 0.00 N ATOM 517 CA ASN A 33 3.003 5.475 -1.494 1.00 0.00 C ATOM 518 C ASN A 33 3.085 6.174 -2.854 1.00 0.00 C ATOM 519 O ASN A 33 3.391 7.347 -2.944 1.00 0.00 O ATOM 520 CB ASN A 33 4.401 5.399 -0.871 1.00 0.00 C ATOM 521 CG ASN A 33 5.090 6.760 -0.995 1.00 0.00 C ATOM 522 OD1 ASN A 33 6.148 6.867 -1.582 1.00 0.00 O ATOM 523 ND2 ASN A 33 4.530 7.812 -0.462 1.00 0.00 N ATOM 0 H ASN A 33 3.134 3.342 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 33 2.344 6.038 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.328 5.111 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.993 4.633 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.981 8.724 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.642 7.722 0.031 1.00 0.00 H new ATOM 530 N LYS A 34 2.820 5.460 -3.914 1.00 0.00 N ATOM 531 CA LYS A 34 2.884 6.074 -5.268 1.00 0.00 C ATOM 532 C LYS A 34 1.468 6.351 -5.774 1.00 0.00 C ATOM 533 O LYS A 34 1.261 7.153 -6.663 1.00 0.00 O ATOM 534 CB LYS A 34 3.580 5.101 -6.219 1.00 0.00 C ATOM 535 CG LYS A 34 5.093 5.300 -6.135 1.00 0.00 C ATOM 536 CD LYS A 34 5.726 4.982 -7.490 1.00 0.00 C ATOM 537 CE LYS A 34 7.002 5.808 -7.666 1.00 0.00 C ATOM 538 NZ LYS A 34 8.140 4.902 -7.987 1.00 0.00 N ATOM 0 H LYS A 34 2.561 4.474 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 34 3.439 7.011 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.323 4.074 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.237 5.266 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.320 6.327 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.513 4.653 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.957 3.919 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.023 5.205 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.868 6.538 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.214 6.367 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.007 5.463 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.272 4.222 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.936 4.387 -8.868 1.00 0.00 H new ATOM 552 N ALA A 35 0.497 5.681 -5.219 1.00 0.00 N ATOM 553 CA ALA A 35 -0.916 5.883 -5.660 1.00 0.00 C ATOM 554 C ALA A 35 -1.182 7.369 -5.916 1.00 0.00 C ATOM 555 O ALA A 35 -0.431 8.231 -5.504 1.00 0.00 O ATOM 556 CB ALA A 35 -1.867 5.375 -4.573 1.00 0.00 C ATOM 0 H ALA A 35 0.620 4.996 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.082 5.328 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.898 5.522 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.689 4.314 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.692 5.927 -3.650 1.00 0.00 H new ATOM 562 N LYS A 36 -2.251 7.671 -6.602 1.00 0.00 N ATOM 563 CA LYS A 36 -2.581 9.094 -6.904 1.00 0.00 C ATOM 564 C LYS A 36 -2.555 9.926 -5.619 1.00 0.00 C ATOM 565 O LYS A 36 -1.607 10.636 -5.348 1.00 0.00 O ATOM 566 CB LYS A 36 -3.975 9.162 -7.530 1.00 0.00 C ATOM 567 CG LYS A 36 -3.974 8.393 -8.853 1.00 0.00 C ATOM 568 CD LYS A 36 -5.372 8.429 -9.470 1.00 0.00 C ATOM 569 CE LYS A 36 -5.263 8.769 -10.956 1.00 0.00 C ATOM 570 NZ LYS A 36 -5.688 7.592 -11.767 1.00 0.00 N ATOM 0 H LYS A 36 -2.914 6.989 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.843 9.496 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.713 8.737 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.259 10.200 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.251 8.833 -9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.667 7.361 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.863 7.464 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.987 9.170 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.889 9.630 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.237 9.043 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.614 7.822 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.073 6.781 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.673 7.350 -11.538 1.00 0.00 H new ATOM 584 N THR A 37 -3.592 9.853 -4.830 1.00 0.00 N ATOM 585 CA THR A 37 -3.623 10.650 -3.571 1.00 0.00 C ATOM 586 C THR A 37 -3.970 9.737 -2.389 1.00 0.00 C ATOM 587 O THR A 37 -3.725 8.547 -2.418 1.00 0.00 O ATOM 588 CB THR A 37 -4.670 11.764 -3.703 1.00 0.00 C ATOM 589 OG1 THR A 37 -4.425 12.763 -2.722 1.00 0.00 O ATOM 590 CG2 THR A 37 -6.073 11.186 -3.508 1.00 0.00 C ATOM 0 H THR A 37 -4.417 9.278 -5.002 1.00 0.00 H new ATOM 0 HA THR A 37 -2.644 11.096 -3.395 1.00 0.00 H new ATOM 0 HB THR A 37 -4.601 12.205 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.092 13.476 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.811 11.982 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.261 10.425 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.148 10.739 -2.517 1.00 0.00 H new ATOM 598 N VAL A 38 -4.538 10.285 -1.346 1.00 0.00 N ATOM 599 CA VAL A 38 -4.895 9.452 -0.165 1.00 0.00 C ATOM 600 C VAL A 38 -6.143 8.631 -0.469 1.00 0.00 C ATOM 601 O VAL A 38 -6.148 7.428 -0.335 1.00 0.00 O ATOM 602 CB VAL A 38 -5.156 10.361 1.034 1.00 0.00 C ATOM 603 CG1 VAL A 38 -5.240 9.516 2.304 1.00 0.00 C ATOM 604 CG2 VAL A 38 -4.011 11.369 1.169 1.00 0.00 C ATOM 0 H VAL A 38 -4.769 11.275 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.072 8.775 0.063 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.095 10.894 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.426 10.164 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.054 8.797 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.300 8.983 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.197 12.018 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.072 10.835 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.948 11.972 0.263 1.00 0.00 H new ATOM 614 N GLU A 39 -7.197 9.261 -0.884 1.00 0.00 N ATOM 615 CA GLU A 39 -8.432 8.492 -1.201 1.00 0.00 C ATOM 616 C GLU A 39 -8.085 7.416 -2.226 1.00 0.00 C ATOM 617 O GLU A 39 -8.758 6.411 -2.342 1.00 0.00 O ATOM 618 CB GLU A 39 -9.497 9.433 -1.771 1.00 0.00 C ATOM 619 CG GLU A 39 -9.031 9.982 -3.121 1.00 0.00 C ATOM 620 CD GLU A 39 -9.370 11.472 -3.209 1.00 0.00 C ATOM 621 OE1 GLU A 39 -10.544 11.796 -3.138 1.00 0.00 O ATOM 622 OE2 GLU A 39 -8.451 12.263 -3.343 1.00 0.00 O ATOM 0 H GLU A 39 -7.262 10.270 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.825 8.028 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.440 8.900 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.680 10.254 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.957 9.835 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.515 9.439 -3.933 1.00 0.00 H new ATOM 629 N GLU A 40 -7.023 7.610 -2.958 1.00 0.00 N ATOM 630 CA GLU A 40 -6.615 6.589 -3.958 1.00 0.00 C ATOM 631 C GLU A 40 -5.774 5.528 -3.250 1.00 0.00 C ATOM 632 O GLU A 40 -5.811 4.364 -3.591 1.00 0.00 O ATOM 633 CB GLU A 40 -5.788 7.248 -5.061 1.00 0.00 C ATOM 634 CG GLU A 40 -5.605 6.263 -6.216 1.00 0.00 C ATOM 635 CD GLU A 40 -6.971 5.722 -6.646 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.871 6.523 -6.835 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.092 4.515 -6.778 1.00 0.00 O ATOM 0 H GLU A 40 -6.421 8.432 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.497 6.131 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.286 8.151 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.817 7.552 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.117 6.757 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.957 5.442 -5.909 1.00 0.00 H new ATOM 644 N VAL A 41 -5.027 5.925 -2.254 1.00 0.00 N ATOM 645 CA VAL A 41 -4.199 4.942 -1.504 1.00 0.00 C ATOM 646 C VAL A 41 -5.136 3.991 -0.758 1.00 0.00 C ATOM 647 O VAL A 41 -5.130 2.795 -0.972 1.00 0.00 O ATOM 648 CB VAL A 41 -3.313 5.681 -0.496 1.00 0.00 C ATOM 649 CG1 VAL A 41 -2.638 4.672 0.433 1.00 0.00 C ATOM 650 CG2 VAL A 41 -2.240 6.472 -1.246 1.00 0.00 C ATOM 0 H VAL A 41 -4.956 6.889 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.565 4.383 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.928 6.362 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.009 5.201 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.399 4.105 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.024 3.990 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.609 6.998 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.629 5.788 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.717 7.194 -1.909 1.00 0.00 H new ATOM 660 N ASN A 42 -5.949 4.523 0.112 1.00 0.00 N ATOM 661 CA ASN A 42 -6.901 3.669 0.875 1.00 0.00 C ATOM 662 C ASN A 42 -7.817 2.920 -0.097 1.00 0.00 C ATOM 663 O ASN A 42 -8.202 1.793 0.145 1.00 0.00 O ATOM 664 CB ASN A 42 -7.748 4.556 1.792 1.00 0.00 C ATOM 665 CG ASN A 42 -6.968 4.853 3.075 1.00 0.00 C ATOM 666 OD1 ASN A 42 -6.688 3.960 3.849 1.00 0.00 O ATOM 667 ND2 ASN A 42 -6.599 6.079 3.331 1.00 0.00 N ATOM 0 H ASN A 42 -5.995 5.519 0.328 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.344 2.947 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.001 5.486 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.687 4.058 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.075 6.287 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.834 6.829 2.681 1.00 0.00 H new ATOM 674 N ALA A 43 -8.172 3.534 -1.192 1.00 0.00 N ATOM 675 CA ALA A 43 -9.067 2.847 -2.171 1.00 0.00 C ATOM 676 C ALA A 43 -8.286 1.754 -2.902 1.00 0.00 C ATOM 677 O ALA A 43 -8.845 0.776 -3.355 1.00 0.00 O ATOM 678 CB ALA A 43 -9.593 3.862 -3.187 1.00 0.00 C ATOM 0 H ALA A 43 -7.884 4.477 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.906 2.399 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.246 3.358 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.154 4.639 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.755 4.313 -3.718 1.00 0.00 H new ATOM 684 N LEU A 44 -6.995 1.905 -3.013 1.00 0.00 N ATOM 685 CA LEU A 44 -6.186 0.866 -3.705 1.00 0.00 C ATOM 686 C LEU A 44 -6.033 -0.335 -2.766 1.00 0.00 C ATOM 687 O LEU A 44 -5.930 -1.467 -3.194 1.00 0.00 O ATOM 688 CB LEU A 44 -4.818 1.459 -4.093 1.00 0.00 C ATOM 689 CG LEU A 44 -3.739 1.055 -3.085 1.00 0.00 C ATOM 690 CD1 LEU A 44 -3.280 -0.372 -3.393 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.554 2.015 -3.196 1.00 0.00 C ATOM 0 H LEU A 44 -6.468 2.701 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.677 0.534 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.538 1.115 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.889 2.546 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.141 1.099 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.511 -0.669 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.128 -1.052 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.873 -0.413 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.785 1.728 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.144 1.971 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.888 3.031 -2.984 1.00 0.00 H new ATOM 703 N LYS A 45 -6.029 -0.086 -1.484 1.00 0.00 N ATOM 704 CA LYS A 45 -5.899 -1.197 -0.504 1.00 0.00 C ATOM 705 C LYS A 45 -7.125 -2.103 -0.613 1.00 0.00 C ATOM 706 O LYS A 45 -7.079 -3.275 -0.297 1.00 0.00 O ATOM 707 CB LYS A 45 -5.824 -0.619 0.910 1.00 0.00 C ATOM 708 CG LYS A 45 -4.953 -1.516 1.789 1.00 0.00 C ATOM 709 CD LYS A 45 -3.498 -1.056 1.698 1.00 0.00 C ATOM 710 CE LYS A 45 -2.605 -2.257 1.390 1.00 0.00 C ATOM 711 NZ LYS A 45 -1.559 -1.864 0.409 1.00 0.00 N ATOM 0 H LYS A 45 -6.111 0.844 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.995 -1.769 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.410 0.389 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.825 -0.540 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.295 -1.474 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.039 -2.554 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.392 -0.301 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.192 -0.592 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.140 -2.621 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.204 -3.075 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.335 -2.674 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.908 -1.076 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.701 -1.567 0.916 1.00 0.00 H new ATOM 725 N ASN A 46 -8.224 -1.558 -1.054 1.00 0.00 N ATOM 726 CA ASN A 46 -9.466 -2.366 -1.184 1.00 0.00 C ATOM 727 C ASN A 46 -9.417 -3.189 -2.474 1.00 0.00 C ATOM 728 O ASN A 46 -10.175 -4.121 -2.655 1.00 0.00 O ATOM 729 CB ASN A 46 -10.670 -1.424 -1.217 1.00 0.00 C ATOM 730 CG ASN A 46 -10.623 -0.501 -0.008 1.00 0.00 C ATOM 731 OD1 ASN A 46 -10.257 0.652 -0.118 1.00 0.00 O ATOM 732 ND2 ASN A 46 -10.983 -0.965 1.148 1.00 0.00 N ATOM 0 H ASN A 46 -8.315 -0.581 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.553 -3.045 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.662 -0.838 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.596 -1.999 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.960 -0.361 1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.290 -1.934 1.236 1.00 0.00 H new ATOM 739 N GLU A 47 -8.536 -2.850 -3.374 1.00 0.00 N ATOM 740 CA GLU A 47 -8.446 -3.614 -4.651 1.00 0.00 C ATOM 741 C GLU A 47 -7.596 -4.868 -4.446 1.00 0.00 C ATOM 742 O GLU A 47 -7.510 -5.715 -5.312 1.00 0.00 O ATOM 743 CB GLU A 47 -7.808 -2.736 -5.727 1.00 0.00 C ATOM 744 CG GLU A 47 -8.659 -1.481 -5.925 1.00 0.00 C ATOM 745 CD GLU A 47 -8.053 -0.623 -7.036 1.00 0.00 C ATOM 746 OE1 GLU A 47 -7.075 -1.052 -7.625 1.00 0.00 O ATOM 747 OE2 GLU A 47 -8.580 0.450 -7.281 1.00 0.00 O ATOM 0 H GLU A 47 -7.875 -2.078 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.448 -3.907 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.795 -2.460 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.730 -3.288 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.681 -1.759 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.707 -0.912 -4.997 1.00 0.00 H new ATOM 754 N ILE A 48 -6.975 -5.007 -3.307 1.00 0.00 N ATOM 755 CA ILE A 48 -6.150 -6.222 -3.066 1.00 0.00 C ATOM 756 C ILE A 48 -7.084 -7.400 -2.804 1.00 0.00 C ATOM 757 O ILE A 48 -6.921 -8.470 -3.354 1.00 0.00 O ATOM 758 CB ILE A 48 -5.243 -6.008 -1.849 1.00 0.00 C ATOM 759 CG1 ILE A 48 -4.073 -5.100 -2.233 1.00 0.00 C ATOM 760 CG2 ILE A 48 -4.695 -7.358 -1.378 1.00 0.00 C ATOM 761 CD1 ILE A 48 -4.432 -3.647 -1.936 1.00 0.00 C ATOM 0 H ILE A 48 -7.003 -4.337 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.527 -6.422 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.819 -5.544 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.180 -5.385 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.840 -5.218 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.050 -7.207 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.523 -8.011 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.121 -7.818 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.597 -3.002 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.313 -3.365 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.643 -3.534 -0.873 1.00 0.00 H new ATOM 773 N LEU A 49 -8.066 -7.211 -1.966 1.00 0.00 N ATOM 774 CA LEU A 49 -9.010 -8.323 -1.673 1.00 0.00 C ATOM 775 C LEU A 49 -9.586 -8.851 -2.989 1.00 0.00 C ATOM 776 O LEU A 49 -9.741 -10.042 -3.176 1.00 0.00 O ATOM 777 CB LEU A 49 -10.143 -7.815 -0.781 1.00 0.00 C ATOM 778 CG LEU A 49 -10.073 -8.512 0.580 1.00 0.00 C ATOM 779 CD1 LEU A 49 -8.799 -8.079 1.309 1.00 0.00 C ATOM 780 CD2 LEU A 49 -11.294 -8.120 1.414 1.00 0.00 C ATOM 0 H LEU A 49 -8.254 -6.338 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.483 -9.125 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.063 -6.735 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.106 -8.010 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.061 -9.592 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.748 -8.575 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.928 -8.355 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.812 -6.999 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.246 -8.615 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.304 -7.040 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.202 -8.425 0.895 1.00 0.00 H new ATOM 792 N LYS A 50 -9.896 -7.976 -3.909 1.00 0.00 N ATOM 793 CA LYS A 50 -10.448 -8.439 -5.213 1.00 0.00 C ATOM 794 C LYS A 50 -9.289 -8.907 -6.093 1.00 0.00 C ATOM 795 O LYS A 50 -9.087 -10.088 -6.297 1.00 0.00 O ATOM 796 CB LYS A 50 -11.187 -7.288 -5.900 1.00 0.00 C ATOM 797 CG LYS A 50 -12.640 -7.696 -6.154 1.00 0.00 C ATOM 798 CD LYS A 50 -12.672 -8.933 -7.054 1.00 0.00 C ATOM 799 CE LYS A 50 -14.042 -9.607 -6.948 1.00 0.00 C ATOM 800 NZ LYS A 50 -13.902 -11.064 -7.233 1.00 0.00 N ATOM 0 H LYS A 50 -9.791 -6.966 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.148 -9.259 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.152 -6.395 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.698 -7.038 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.140 -7.908 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.182 -6.876 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.474 -8.649 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.888 -9.631 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.456 -9.459 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.738 -9.153 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.833 -11.523 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.524 -11.195 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.251 -11.492 -6.544 1.00 0.00 H new ATOM 814 N ALA A 51 -8.515 -7.989 -6.600 1.00 0.00 N ATOM 815 CA ALA A 51 -7.356 -8.378 -7.449 1.00 0.00 C ATOM 816 C ALA A 51 -6.470 -9.339 -6.656 1.00 0.00 C ATOM 817 O ALA A 51 -6.554 -9.409 -5.447 1.00 0.00 O ATOM 818 CB ALA A 51 -6.550 -7.128 -7.808 1.00 0.00 C ATOM 0 H ALA A 51 -8.635 -6.985 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.706 -8.859 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.700 -7.409 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.185 -6.430 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.190 -6.653 -6.896 1.00 0.00 H new ATOM 824 N HIS A 52 -5.620 -10.080 -7.313 1.00 0.00 N ATOM 825 CA HIS A 52 -4.740 -11.019 -6.566 1.00 0.00 C ATOM 826 C HIS A 52 -5.612 -12.094 -5.894 1.00 0.00 C ATOM 827 O HIS A 52 -5.151 -12.873 -5.084 1.00 0.00 O ATOM 828 CB HIS A 52 -3.939 -10.200 -5.533 1.00 0.00 C ATOM 829 CG HIS A 52 -3.730 -10.961 -4.251 1.00 0.00 C ATOM 830 ND1 HIS A 52 -4.322 -10.569 -3.062 1.00 0.00 N ATOM 831 CD2 HIS A 52 -2.986 -12.074 -3.952 1.00 0.00 C ATOM 832 CE1 HIS A 52 -3.926 -11.430 -2.109 1.00 0.00 C ATOM 833 NE2 HIS A 52 -3.110 -12.369 -2.597 1.00 0.00 N ATOM 0 H HIS A 52 -5.498 -10.076 -8.326 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.039 -11.527 -7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.972 -9.929 -5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.466 -9.270 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.394 -12.636 -4.660 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.230 -11.370 -1.074 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.672 -13.136 -2.087 1.00 0.00 H new ATOM 841 N ALA A 53 -6.871 -12.148 -6.237 1.00 0.00 N ATOM 842 CA ALA A 53 -7.766 -13.169 -5.628 1.00 0.00 C ATOM 843 C ALA A 53 -9.163 -13.052 -6.240 1.00 0.00 C ATOM 844 O ALA A 53 -10.097 -13.555 -5.638 1.00 0.00 O ATOM 845 CB ALA A 53 -7.848 -12.935 -4.120 1.00 0.00 C ATOM 846 OXT ALA A 53 -9.276 -12.464 -7.303 1.00 0.00 O ATOM 0 H ALA A 53 -7.317 -11.528 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.368 -14.165 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.503 -13.682 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.852 -13.017 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.247 -11.939 -3.928 1.00 0.00 H new TER 852 ALA A 53