USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 590 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 18 ASN : amide:sc= -3.28! C(o=-6.3!,f=-18!) USER MOD Set 1.2: A 21 THR OG1 : rot -12:sc= -1.82! USER MOD Set 1.3: A 23 LYS NZ :NH3+ -108:sc= -1.18! (180deg=-2.51!) USER MOD Single : A 2 SER OG : rot 25:sc= 0.471 USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0181) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0961) USER MOD Single : A 11 SER OG : rot -120:sc= 0.329 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 165:sc= -0.0368 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -76:sc= -0.132 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.649 F(o=-2.6,f=-0.65) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -1.26! (180deg=-2.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 155:sc= -2.43! USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.116 (180deg=-0.847) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.122 K(o=0.12,f=-14!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 29:sc= -0.376 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 104:sc= 0.671 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 7.598 -5.793 2.550 1.00 1.27 N ATOM 19 CA SER A 2 8.148 -4.710 3.360 1.00 0.64 C ATOM 20 C SER A 2 9.432 -4.177 2.743 1.00 0.57 C ATOM 21 O SER A 2 10.480 -4.146 3.390 1.00 0.62 O ATOM 22 CB SER A 2 8.414 -5.200 4.784 1.00 1.37 C ATOM 23 OG SER A 2 7.439 -6.144 5.191 1.00 2.15 O ATOM 0 HA SER A 2 7.419 -3.901 3.393 1.00 0.64 H new ATOM 0 HB2 SER A 2 9.405 -5.651 4.837 1.00 1.37 H new ATOM 0 HB3 SER A 2 8.412 -4.353 5.469 1.00 1.37 H new ATOM 0 HG SER A 2 7.052 -6.576 4.401 1.00 2.15 H new ATOM 29 N ILE A 3 9.352 -3.775 1.480 1.00 0.57 N ATOM 30 CA ILE A 3 10.509 -3.261 0.763 1.00 0.52 C ATOM 31 C ILE A 3 10.747 -1.776 1.036 1.00 0.43 C ATOM 32 O ILE A 3 11.891 -1.323 1.072 1.00 0.47 O ATOM 33 CB ILE A 3 10.346 -3.471 -0.756 1.00 0.54 C ATOM 34 CG1 ILE A 3 9.885 -4.908 -1.042 1.00 0.67 C ATOM 35 CG2 ILE A 3 11.648 -3.149 -1.474 1.00 0.53 C ATOM 36 CD1 ILE A 3 10.409 -5.492 -2.339 1.00 0.52 C ATOM 0 H ILE A 3 8.493 -3.796 0.931 1.00 0.57 H new ATOM 0 HA ILE A 3 11.372 -3.819 1.126 1.00 0.52 H new ATOM 0 HB ILE A 3 9.582 -2.792 -1.134 1.00 0.54 H new ATOM 0 HG12 ILE A 3 10.200 -5.548 -0.217 1.00 0.67 H new ATOM 0 HG13 ILE A 3 8.795 -4.929 -1.063 1.00 0.67 H new ATOM 0 HG21 ILE A 3 11.520 -3.301 -2.546 1.00 0.53 H new ATOM 0 HG22 ILE A 3 11.921 -2.111 -1.285 1.00 0.53 H new ATOM 0 HG23 ILE A 3 12.438 -3.804 -1.106 1.00 0.53 H new ATOM 0 HD11 ILE A 3 10.033 -6.508 -2.459 1.00 0.52 H new ATOM 0 HD12 ILE A 3 10.073 -4.880 -3.176 1.00 0.52 H new ATOM 0 HD13 ILE A 3 11.499 -5.508 -2.317 1.00 0.52 H new ATOM 48 N TRP A 4 9.668 -1.017 1.207 1.00 0.37 N ATOM 49 CA TRP A 4 9.785 0.419 1.448 1.00 0.31 C ATOM 50 C TRP A 4 9.510 0.778 2.905 1.00 0.34 C ATOM 51 O TRP A 4 8.857 0.030 3.631 1.00 0.39 O ATOM 52 CB TRP A 4 8.851 1.177 0.509 1.00 0.31 C ATOM 53 CG TRP A 4 9.292 1.062 -0.916 1.00 0.27 C ATOM 54 CD1 TRP A 4 8.830 0.185 -1.853 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.307 1.840 -1.558 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.504 0.365 -3.037 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.413 1.377 -2.881 1.00 0.24 C ATOM 58 CE3 TRP A 4 11.134 2.882 -1.137 1.00 0.26 C ATOM 59 CZ2 TRP A 4 11.317 1.922 -3.790 1.00 0.25 C ATOM 60 CZ3 TRP A 4 12.031 3.423 -2.039 1.00 0.26 C ATOM 61 CH2 TRP A 4 12.118 2.943 -3.353 1.00 0.26 C ATOM 0 H TRP A 4 8.711 -1.368 1.184 1.00 0.37 H new ATOM 0 HA TRP A 4 10.814 0.715 1.242 1.00 0.31 H new ATOM 0 HB2 TRP A 4 7.838 0.787 0.610 1.00 0.31 H new ATOM 0 HB3 TRP A 4 8.819 2.228 0.797 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.050 -0.543 -1.689 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.352 -0.169 -3.893 1.00 0.25 H new ATOM 0 HE3 TRP A 4 11.074 3.258 -0.126 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 11.384 1.553 -4.803 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 12.676 4.230 -1.726 1.00 0.26 H new ATOM 0 HH2 TRP A 4 12.830 3.387 -4.033 1.00 0.26 H new ATOM 72 N LYS A 5 10.040 1.927 3.330 1.00 0.32 N ATOM 73 CA LYS A 5 9.879 2.383 4.701 1.00 0.36 C ATOM 74 C LYS A 5 9.639 3.882 4.793 1.00 0.35 C ATOM 75 O LYS A 5 10.014 4.646 3.905 1.00 0.31 O ATOM 76 CB LYS A 5 11.134 2.045 5.493 1.00 0.39 C ATOM 77 CG LYS A 5 10.960 0.884 6.433 1.00 0.93 C ATOM 78 CD LYS A 5 11.445 1.244 7.824 1.00 0.71 C ATOM 79 CE LYS A 5 11.572 0.018 8.712 1.00 1.55 C ATOM 80 NZ LYS A 5 10.265 -0.675 8.895 1.00 1.94 N ATOM 0 H LYS A 5 10.584 2.555 2.739 1.00 0.32 H new ATOM 0 HA LYS A 5 9.004 1.877 5.109 1.00 0.36 H new ATOM 0 HB2 LYS A 5 11.943 1.820 4.797 1.00 0.39 H new ATOM 0 HB3 LYS A 5 11.440 2.921 6.064 1.00 0.39 H new ATOM 0 HG2 LYS A 5 9.910 0.595 6.472 1.00 0.93 H new ATOM 0 HG3 LYS A 5 11.514 0.022 6.061 1.00 0.93 H new ATOM 0 HD2 LYS A 5 12.411 1.744 7.754 1.00 0.71 H new ATOM 0 HD3 LYS A 5 10.752 1.952 8.279 1.00 0.71 H new ATOM 0 HE2 LYS A 5 12.291 -0.674 8.274 1.00 1.55 H new ATOM 0 HE3 LYS A 5 11.965 0.314 9.685 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 10.374 -1.444 9.586 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 9.557 0.004 9.241 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 9.951 -1.069 7.985 1.00 1.94 H new ATOM 94 N GLU A 6 9.035 4.290 5.905 1.00 0.37 N ATOM 95 CA GLU A 6 8.763 5.695 6.170 1.00 0.37 C ATOM 96 C GLU A 6 9.773 6.224 7.186 1.00 0.32 C ATOM 97 O GLU A 6 9.800 5.784 8.336 1.00 0.37 O ATOM 98 CB GLU A 6 7.332 5.872 6.689 1.00 0.45 C ATOM 99 CG GLU A 6 7.107 7.170 7.451 1.00 1.05 C ATOM 100 CD GLU A 6 6.716 6.935 8.897 1.00 2.02 C ATOM 101 OE1 GLU A 6 5.727 6.211 9.133 1.00 2.86 O ATOM 102 OE2 GLU A 6 7.399 7.476 9.792 1.00 2.26 O ATOM 0 H GLU A 6 8.723 3.659 6.643 1.00 0.37 H new ATOM 0 HA GLU A 6 8.859 6.262 5.244 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.643 5.834 5.845 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.086 5.033 7.340 1.00 0.45 H new ATOM 0 HG2 GLU A 6 8.017 7.770 7.417 1.00 1.05 H new ATOM 0 HG3 GLU A 6 6.326 7.747 6.956 1.00 1.05 H new ATOM 109 N ALA A 7 10.605 7.162 6.752 1.00 0.27 N ATOM 110 CA ALA A 7 11.622 7.746 7.620 1.00 0.25 C ATOM 111 C ALA A 7 11.548 9.267 7.616 1.00 0.26 C ATOM 112 O ALA A 7 10.815 9.860 6.824 1.00 0.28 O ATOM 113 CB ALA A 7 13.009 7.280 7.195 1.00 0.22 C ATOM 0 H ALA A 7 10.596 7.536 5.803 1.00 0.27 H new ATOM 0 HA ALA A 7 11.431 7.406 8.638 1.00 0.25 H new ATOM 0 HB1 ALA A 7 13.758 7.723 7.851 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.064 6.194 7.263 1.00 0.22 H new ATOM 0 HB3 ALA A 7 13.198 7.590 6.167 1.00 0.22 H new ATOM 119 N LYS A 8 12.314 9.897 8.503 1.00 0.27 N ATOM 120 CA LYS A 8 12.335 11.351 8.597 1.00 0.31 C ATOM 121 C LYS A 8 13.761 11.861 8.400 1.00 0.31 C ATOM 122 O LYS A 8 14.716 11.255 8.887 1.00 0.29 O ATOM 123 CB LYS A 8 11.790 11.802 9.957 1.00 0.34 C ATOM 124 CG LYS A 8 10.834 12.976 9.868 1.00 0.41 C ATOM 125 CD LYS A 8 9.652 12.804 10.809 1.00 0.51 C ATOM 126 CE LYS A 8 8.902 14.111 11.007 1.00 1.09 C ATOM 127 NZ LYS A 8 7.438 13.949 10.790 1.00 1.32 N ATOM 0 H LYS A 8 12.927 9.422 9.166 1.00 0.27 H new ATOM 0 HA LYS A 8 11.700 11.768 7.815 1.00 0.31 H new ATOM 0 HB2 LYS A 8 11.280 10.964 10.431 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.626 12.073 10.602 1.00 0.34 H new ATOM 0 HG2 LYS A 8 11.363 13.897 10.112 1.00 0.41 H new ATOM 0 HG3 LYS A 8 10.474 13.077 8.844 1.00 0.41 H new ATOM 0 HD2 LYS A 8 8.973 12.051 10.408 1.00 0.51 H new ATOM 0 HD3 LYS A 8 10.004 12.436 11.773 1.00 0.51 H new ATOM 0 HE2 LYS A 8 9.081 14.483 12.016 1.00 1.09 H new ATOM 0 HE3 LYS A 8 9.291 14.861 10.318 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 6.928 14.714 11.276 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 7.232 13.988 9.771 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 7.130 13.031 11.171 1.00 1.32 H new ATOM 141 N ASP A 9 13.905 12.962 7.671 1.00 0.36 N ATOM 142 CA ASP A 9 15.221 13.534 7.395 1.00 0.39 C ATOM 143 C ASP A 9 15.800 14.224 8.623 1.00 0.42 C ATOM 144 O ASP A 9 15.218 14.189 9.707 1.00 0.43 O ATOM 145 CB ASP A 9 15.133 14.525 6.234 1.00 0.44 C ATOM 146 CG ASP A 9 16.386 14.532 5.379 1.00 0.48 C ATOM 147 OD1 ASP A 9 17.285 13.703 5.636 1.00 0.78 O ATOM 148 OD2 ASP A 9 16.467 15.364 4.451 1.00 0.59 O ATOM 0 H ASP A 9 13.127 13.478 7.260 1.00 0.36 H new ATOM 0 HA ASP A 9 15.887 12.716 7.123 1.00 0.39 H new ATOM 0 HB2 ASP A 9 14.274 14.275 5.612 1.00 0.44 H new ATOM 0 HB3 ASP A 9 14.960 15.527 6.628 1.00 0.44 H new ATOM 153 N ALA A 10 16.958 14.855 8.438 1.00 0.44 N ATOM 154 CA ALA A 10 17.631 15.558 9.522 1.00 0.48 C ATOM 155 C ALA A 10 16.793 16.729 10.019 1.00 0.51 C ATOM 156 O ALA A 10 16.921 17.151 11.168 1.00 0.54 O ATOM 157 CB ALA A 10 18.999 16.041 9.068 1.00 0.51 C ATOM 0 H ALA A 10 17.449 14.892 7.544 1.00 0.44 H new ATOM 0 HA ALA A 10 17.761 14.861 10.350 1.00 0.48 H new ATOM 0 HB1 ALA A 10 19.491 16.565 9.888 1.00 0.51 H new ATOM 0 HB2 ALA A 10 19.605 15.186 8.768 1.00 0.51 H new ATOM 0 HB3 ALA A 10 18.883 16.719 8.222 1.00 0.51 H new ATOM 163 N SER A 11 15.928 17.246 9.151 1.00 0.52 N ATOM 164 CA SER A 11 15.064 18.362 9.504 1.00 0.56 C ATOM 165 C SER A 11 13.624 17.886 9.595 1.00 0.50 C ATOM 166 O SER A 11 12.688 18.687 9.630 1.00 0.61 O ATOM 167 CB SER A 11 15.188 19.482 8.471 1.00 0.71 C ATOM 168 OG SER A 11 16.165 19.170 7.494 1.00 1.00 O ATOM 0 H SER A 11 15.809 16.907 8.196 1.00 0.52 H new ATOM 0 HA SER A 11 15.372 18.755 10.473 1.00 0.56 H new ATOM 0 HB2 SER A 11 14.224 19.643 7.987 1.00 0.71 H new ATOM 0 HB3 SER A 11 15.454 20.414 8.971 1.00 0.71 H new ATOM 0 HG SER A 11 16.868 19.853 7.505 1.00 1.00 H new ATOM 174 N GLY A 12 13.465 16.570 9.657 1.00 0.52 N ATOM 175 CA GLY A 12 12.146 15.978 9.775 1.00 0.47 C ATOM 176 C GLY A 12 11.392 15.869 8.461 1.00 0.53 C ATOM 177 O GLY A 12 10.162 15.919 8.447 1.00 0.59 O ATOM 0 H GLY A 12 14.232 15.898 9.627 1.00 0.52 H new ATOM 0 HA2 GLY A 12 12.244 14.983 10.208 1.00 0.47 H new ATOM 0 HA3 GLY A 12 11.555 16.572 10.472 1.00 0.47 H new ATOM 181 N ARG A 13 12.113 15.699 7.355 1.00 0.56 N ATOM 182 CA ARG A 13 11.475 15.561 6.049 1.00 0.64 C ATOM 183 C ARG A 13 11.129 14.096 5.788 1.00 0.56 C ATOM 184 O ARG A 13 11.999 13.228 5.845 1.00 0.52 O ATOM 185 CB ARG A 13 12.391 16.087 4.944 1.00 0.75 C ATOM 186 CG ARG A 13 13.202 17.308 5.344 1.00 0.87 C ATOM 187 CD ARG A 13 14.226 17.666 4.280 1.00 0.97 C ATOM 188 NE ARG A 13 15.212 18.626 4.766 1.00 1.24 N ATOM 189 CZ ARG A 13 15.490 19.774 4.154 1.00 1.60 C ATOM 190 NH1 ARG A 13 14.854 20.106 3.038 1.00 1.53 N ATOM 191 NH2 ARG A 13 16.406 20.590 4.656 1.00 2.38 N ATOM 0 H ARG A 13 13.132 15.654 7.337 1.00 0.56 H new ATOM 0 HA ARG A 13 10.558 16.150 6.048 1.00 0.64 H new ATOM 0 HB2 ARG A 13 13.074 15.292 4.643 1.00 0.75 H new ATOM 0 HB3 ARG A 13 11.786 16.335 4.072 1.00 0.75 H new ATOM 0 HG2 ARG A 13 12.533 18.153 5.507 1.00 0.87 H new ATOM 0 HG3 ARG A 13 13.709 17.116 6.289 1.00 0.87 H new ATOM 0 HD2 ARG A 13 14.735 16.761 3.949 1.00 0.97 H new ATOM 0 HD3 ARG A 13 13.715 18.081 3.411 1.00 0.97 H new ATOM 0 HE ARG A 13 15.717 18.404 5.624 1.00 1.24 H new ATOM 0 HH11 ARG A 13 14.150 19.480 2.647 1.00 1.53 H new ATOM 0 HH12 ARG A 13 15.069 20.987 2.571 1.00 1.53 H new ATOM 0 HH21 ARG A 13 16.899 20.338 5.513 1.00 2.38 H new ATOM 0 HH22 ARG A 13 16.618 21.470 4.186 1.00 2.38 H new ATOM 205 N ILE A 14 9.856 13.816 5.530 1.00 0.56 N ATOM 206 CA ILE A 14 9.421 12.442 5.302 1.00 0.50 C ATOM 207 C ILE A 14 9.737 11.968 3.889 1.00 0.44 C ATOM 208 O ILE A 14 9.350 12.588 2.899 1.00 0.48 O ATOM 209 CB ILE A 14 7.910 12.279 5.568 1.00 0.55 C ATOM 210 CG1 ILE A 14 7.591 12.615 7.027 1.00 0.68 C ATOM 211 CG2 ILE A 14 7.457 10.864 5.235 1.00 0.55 C ATOM 212 CD1 ILE A 14 6.109 12.727 7.314 1.00 1.13 C ATOM 0 H ILE A 14 9.114 14.514 5.474 1.00 0.56 H new ATOM 0 HA ILE A 14 9.978 11.825 6.006 1.00 0.50 H new ATOM 0 HB ILE A 14 7.368 12.971 4.924 1.00 0.55 H new ATOM 0 HG12 ILE A 14 8.020 11.846 7.670 1.00 0.68 H new ATOM 0 HG13 ILE A 14 8.075 13.556 7.288 1.00 0.68 H new ATOM 0 HG21 ILE A 14 6.389 10.769 5.429 1.00 0.55 H new ATOM 0 HG22 ILE A 14 7.655 10.657 4.183 1.00 0.55 H new ATOM 0 HG23 ILE A 14 8.003 10.152 5.854 1.00 0.55 H new ATOM 0 HD11 ILE A 14 5.959 12.967 8.367 1.00 1.13 H new ATOM 0 HD12 ILE A 14 5.678 13.515 6.697 1.00 1.13 H new ATOM 0 HD13 ILE A 14 5.621 11.779 7.085 1.00 1.13 H new ATOM 224 N TYR A 15 10.451 10.847 3.826 1.00 0.37 N ATOM 225 CA TYR A 15 10.846 10.244 2.560 1.00 0.32 C ATOM 226 C TYR A 15 10.720 8.725 2.617 1.00 0.26 C ATOM 227 O TYR A 15 10.948 8.112 3.660 1.00 0.24 O ATOM 228 CB TYR A 15 12.283 10.637 2.211 1.00 0.32 C ATOM 229 CG TYR A 15 13.319 10.087 3.167 1.00 0.28 C ATOM 230 CD1 TYR A 15 13.469 10.621 4.442 1.00 0.27 C ATOM 231 CD2 TYR A 15 14.148 9.036 2.794 1.00 0.29 C ATOM 232 CE1 TYR A 15 14.416 10.121 5.317 1.00 0.25 C ATOM 233 CE2 TYR A 15 15.096 8.532 3.663 1.00 0.27 C ATOM 234 CZ TYR A 15 15.227 9.078 4.923 1.00 0.24 C ATOM 235 OH TYR A 15 16.170 8.577 5.790 1.00 0.25 O ATOM 0 H TYR A 15 10.770 10.334 4.648 1.00 0.37 H new ATOM 0 HA TYR A 15 10.177 10.616 1.784 1.00 0.32 H new ATOM 0 HB2 TYR A 15 12.510 10.287 1.204 1.00 0.32 H new ATOM 0 HB3 TYR A 15 12.358 11.724 2.195 1.00 0.32 H new ATOM 0 HD1 TYR A 15 12.836 11.439 4.754 1.00 0.27 H new ATOM 0 HD2 TYR A 15 14.049 8.606 1.808 1.00 0.29 H new ATOM 0 HE1 TYR A 15 14.520 10.546 6.305 1.00 0.25 H new ATOM 0 HE2 TYR A 15 15.732 7.714 3.357 1.00 0.27 H new ATOM 0 HH TYR A 15 16.656 7.844 5.357 1.00 0.25 H new ATOM 245 N TYR A 16 10.362 8.123 1.487 1.00 0.25 N ATOM 246 CA TYR A 16 10.215 6.675 1.408 1.00 0.23 C ATOM 247 C TYR A 16 11.529 6.047 0.980 1.00 0.21 C ATOM 248 O TYR A 16 12.059 6.359 -0.086 1.00 0.22 O ATOM 249 CB TYR A 16 9.088 6.302 0.439 1.00 0.27 C ATOM 250 CG TYR A 16 7.705 6.646 0.960 1.00 0.25 C ATOM 251 CD1 TYR A 16 7.544 7.451 2.082 1.00 0.40 C ATOM 252 CD2 TYR A 16 6.563 6.164 0.331 1.00 0.21 C ATOM 253 CE1 TYR A 16 6.292 7.764 2.563 1.00 0.40 C ATOM 254 CE2 TYR A 16 5.302 6.477 0.808 1.00 0.27 C ATOM 255 CZ TYR A 16 5.172 7.277 1.923 1.00 0.30 C ATOM 256 OH TYR A 16 3.921 7.590 2.400 1.00 0.35 O ATOM 0 H TYR A 16 10.169 8.615 0.615 1.00 0.25 H new ATOM 0 HA TYR A 16 9.950 6.290 2.393 1.00 0.23 H new ATOM 0 HB2 TYR A 16 9.249 6.816 -0.509 1.00 0.27 H new ATOM 0 HB3 TYR A 16 9.135 5.233 0.234 1.00 0.27 H new ATOM 0 HD1 TYR A 16 8.417 7.838 2.586 1.00 0.40 H new ATOM 0 HD2 TYR A 16 6.661 5.536 -0.542 1.00 0.21 H new ATOM 0 HE1 TYR A 16 6.188 8.388 3.438 1.00 0.40 H new ATOM 0 HE2 TYR A 16 4.423 6.096 0.309 1.00 0.27 H new ATOM 0 HH TYR A 16 3.240 7.169 1.835 1.00 0.35 H new ATOM 266 N TYR A 17 12.077 5.191 1.833 1.00 0.21 N ATOM 267 CA TYR A 17 13.353 4.562 1.554 1.00 0.21 C ATOM 268 C TYR A 17 13.246 3.041 1.517 1.00 0.22 C ATOM 269 O TYR A 17 12.691 2.417 2.422 1.00 0.26 O ATOM 270 CB TYR A 17 14.365 5.018 2.614 1.00 0.24 C ATOM 271 CG TYR A 17 15.307 3.942 3.116 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.519 3.700 2.482 1.00 0.27 C ATOM 273 CD2 TYR A 17 14.989 3.181 4.237 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.387 2.731 2.948 1.00 0.35 C ATOM 275 CE2 TYR A 17 15.851 2.210 4.707 1.00 0.42 C ATOM 276 CZ TYR A 17 17.049 1.989 4.060 1.00 0.41 C ATOM 277 OH TYR A 17 17.912 1.025 4.527 1.00 0.54 O ATOM 0 H TYR A 17 11.655 4.919 2.721 1.00 0.21 H new ATOM 0 HA TYR A 17 13.689 4.869 0.563 1.00 0.21 H new ATOM 0 HB2 TYR A 17 14.959 5.833 2.199 1.00 0.24 H new ATOM 0 HB3 TYR A 17 13.817 5.424 3.465 1.00 0.24 H new ATOM 0 HD1 TYR A 17 16.787 4.279 1.611 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.053 3.353 4.748 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.326 2.556 2.444 1.00 0.35 H new ATOM 0 HE2 TYR A 17 15.588 1.626 5.577 1.00 0.42 H new ATOM 0 HH TYR A 17 17.650 0.764 5.435 1.00 0.54 H new ATOM 287 N ASN A 18 13.821 2.460 0.473 1.00 0.22 N ATOM 288 CA ASN A 18 13.848 1.017 0.305 1.00 0.28 C ATOM 289 C ASN A 18 15.059 0.471 1.051 1.00 0.29 C ATOM 290 O ASN A 18 16.178 0.928 0.829 1.00 0.32 O ATOM 291 CB ASN A 18 13.938 0.662 -1.181 1.00 0.35 C ATOM 292 CG ASN A 18 13.911 -0.833 -1.432 1.00 0.56 C ATOM 293 OD1 ASN A 18 14.055 -1.634 -0.509 1.00 0.96 O ATOM 294 ND2 ASN A 18 13.728 -1.216 -2.691 1.00 0.50 N ATOM 0 H ASN A 18 14.280 2.975 -0.278 1.00 0.22 H new ATOM 0 HA ASN A 18 12.935 0.576 0.705 1.00 0.28 H new ATOM 0 HB2 ASN A 18 13.109 1.130 -1.712 1.00 0.35 H new ATOM 0 HB3 ASN A 18 14.857 1.078 -1.594 1.00 0.35 H new ATOM 0 HD21 ASN A 18 13.703 -2.209 -2.923 1.00 0.50 H new ATOM 0 HD22 ASN A 18 13.613 -0.517 -3.425 1.00 0.50 H new ATOM 301 N THR A 19 14.846 -0.486 1.943 1.00 0.39 N ATOM 302 CA THR A 19 15.949 -1.049 2.714 1.00 0.42 C ATOM 303 C THR A 19 16.477 -2.324 2.074 1.00 0.42 C ATOM 304 O THR A 19 17.636 -2.691 2.269 1.00 0.38 O ATOM 305 CB THR A 19 15.540 -1.348 4.173 1.00 0.58 C ATOM 306 OG1 THR A 19 15.551 -2.761 4.408 1.00 0.75 O ATOM 307 CG2 THR A 19 14.156 -0.790 4.481 1.00 0.50 C ATOM 0 H THR A 19 13.931 -0.886 2.151 1.00 0.39 H new ATOM 0 HA THR A 19 16.736 -0.295 2.719 1.00 0.42 H new ATOM 0 HB THR A 19 16.262 -0.863 4.830 1.00 0.58 H new ATOM 0 HG1 THR A 19 15.292 -2.940 5.336 1.00 0.75 H new ATOM 0 HG21 THR A 19 13.895 -1.016 5.515 1.00 0.50 H new ATOM 0 HG22 THR A 19 14.158 0.290 4.335 1.00 0.50 H new ATOM 0 HG23 THR A 19 13.424 -1.245 3.814 1.00 0.50 H new ATOM 315 N LEU A 20 15.630 -2.990 1.302 1.00 0.50 N ATOM 316 CA LEU A 20 16.027 -4.215 0.626 1.00 0.56 C ATOM 317 C LEU A 20 17.167 -3.920 -0.338 1.00 0.57 C ATOM 318 O LEU A 20 18.177 -4.623 -0.368 1.00 0.70 O ATOM 319 CB LEU A 20 14.837 -4.823 -0.121 1.00 0.69 C ATOM 320 CG LEU A 20 13.541 -4.971 0.695 1.00 0.80 C ATOM 321 CD1 LEU A 20 12.756 -6.186 0.235 1.00 1.26 C ATOM 322 CD2 LEU A 20 13.826 -5.074 2.189 1.00 0.98 C ATOM 0 H LEU A 20 14.667 -2.703 1.129 1.00 0.50 H new ATOM 0 HA LEU A 20 16.367 -4.937 1.368 1.00 0.56 H new ATOM 0 HB2 LEU A 20 14.626 -4.206 -0.994 1.00 0.69 H new ATOM 0 HB3 LEU A 20 15.127 -5.807 -0.489 1.00 0.69 H new ATOM 0 HG LEU A 20 12.946 -4.074 0.525 1.00 0.80 H new ATOM 0 HD11 LEU A 20 11.843 -6.274 0.824 1.00 1.26 H new ATOM 0 HD12 LEU A 20 12.499 -6.076 -0.819 1.00 1.26 H new ATOM 0 HD13 LEU A 20 13.362 -7.082 0.369 1.00 1.26 H new ATOM 0 HD21 LEU A 20 12.887 -5.177 2.732 1.00 0.98 H new ATOM 0 HD22 LEU A 20 14.454 -5.944 2.381 1.00 0.98 H new ATOM 0 HD23 LEU A 20 14.342 -4.174 2.524 1.00 0.98 H new ATOM 334 N THR A 21 16.993 -2.856 -1.114 1.00 0.52 N ATOM 335 CA THR A 21 17.998 -2.428 -2.078 1.00 0.60 C ATOM 336 C THR A 21 18.724 -1.178 -1.582 1.00 0.52 C ATOM 337 O THR A 21 19.604 -0.649 -2.260 1.00 0.59 O ATOM 338 CB THR A 21 17.368 -2.135 -3.451 1.00 0.74 C ATOM 339 OG1 THR A 21 16.521 -0.983 -3.365 1.00 0.73 O ATOM 340 CG2 THR A 21 16.560 -3.328 -3.939 1.00 0.84 C ATOM 0 H THR A 21 16.158 -2.270 -1.093 1.00 0.52 H new ATOM 0 HA THR A 21 18.712 -3.245 -2.185 1.00 0.60 H new ATOM 0 HB THR A 21 18.171 -1.943 -4.162 1.00 0.74 H new ATOM 0 HG1 THR A 21 16.377 -0.753 -2.423 1.00 0.73 H new ATOM 0 HG21 THR A 21 16.124 -3.099 -4.911 1.00 0.84 H new ATOM 0 HG22 THR A 21 17.212 -4.197 -4.030 1.00 0.84 H new ATOM 0 HG23 THR A 21 15.764 -3.545 -3.226 1.00 0.84 H new ATOM 348 N LYS A 22 18.344 -0.718 -0.391 1.00 0.43 N ATOM 349 CA LYS A 22 18.947 0.466 0.219 1.00 0.43 C ATOM 350 C LYS A 22 18.782 1.698 -0.676 1.00 0.46 C ATOM 351 O LYS A 22 19.651 2.571 -0.714 1.00 0.66 O ATOM 352 CB LYS A 22 20.430 0.223 0.505 1.00 0.50 C ATOM 353 CG LYS A 22 20.703 -1.075 1.247 1.00 0.58 C ATOM 354 CD LYS A 22 21.174 -0.815 2.670 1.00 1.11 C ATOM 355 CE LYS A 22 22.660 -0.496 2.716 1.00 1.51 C ATOM 356 NZ LYS A 22 23.390 -1.383 3.664 1.00 2.45 N ATOM 0 H LYS A 22 17.615 -1.152 0.175 1.00 0.43 H new ATOM 0 HA LYS A 22 18.429 0.656 1.159 1.00 0.43 H new ATOM 0 HB2 LYS A 22 20.976 0.214 -0.438 1.00 0.50 H new ATOM 0 HB3 LYS A 22 20.819 1.055 1.091 1.00 0.50 H new ATOM 0 HG2 LYS A 22 19.797 -1.681 1.267 1.00 0.58 H new ATOM 0 HG3 LYS A 22 21.459 -1.649 0.712 1.00 0.58 H new ATOM 0 HD2 LYS A 22 20.609 0.015 3.095 1.00 1.11 H new ATOM 0 HD3 LYS A 22 20.969 -1.690 3.288 1.00 1.11 H new ATOM 0 HE2 LYS A 22 23.085 -0.603 1.718 1.00 1.51 H new ATOM 0 HE3 LYS A 22 22.799 0.544 3.012 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 24.400 -1.133 3.666 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 23.002 -1.262 4.621 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 23.279 -2.374 3.368 1.00 2.45 H new ATOM 370 N LYS A 23 17.665 1.759 -1.396 1.00 0.42 N ATOM 371 CA LYS A 23 17.387 2.883 -2.292 1.00 0.47 C ATOM 372 C LYS A 23 16.648 4.001 -1.559 1.00 0.35 C ATOM 373 O LYS A 23 16.014 3.764 -0.534 1.00 0.30 O ATOM 374 CB LYS A 23 16.572 2.410 -3.495 1.00 0.61 C ATOM 375 CG LYS A 23 17.406 1.700 -4.549 1.00 0.96 C ATOM 376 CD LYS A 23 16.898 1.997 -5.952 1.00 1.25 C ATOM 377 CE LYS A 23 16.950 0.763 -6.838 1.00 1.69 C ATOM 378 NZ LYS A 23 16.563 -0.470 -6.099 1.00 2.27 N ATOM 0 H LYS A 23 16.937 1.045 -1.378 1.00 0.42 H new ATOM 0 HA LYS A 23 18.339 3.281 -2.643 1.00 0.47 H new ATOM 0 HB2 LYS A 23 15.787 1.737 -3.150 1.00 0.61 H new ATOM 0 HB3 LYS A 23 16.079 3.269 -3.951 1.00 0.61 H new ATOM 0 HG2 LYS A 23 18.447 2.013 -4.463 1.00 0.96 H new ATOM 0 HG3 LYS A 23 17.381 0.625 -4.371 1.00 0.96 H new ATOM 0 HD2 LYS A 23 15.873 2.364 -5.898 1.00 1.25 H new ATOM 0 HD3 LYS A 23 17.498 2.791 -6.397 1.00 1.25 H new ATOM 0 HE2 LYS A 23 16.284 0.900 -7.690 1.00 1.69 H new ATOM 0 HE3 LYS A 23 17.957 0.645 -7.237 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 17.406 -1.057 -5.937 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 16.142 -0.209 -5.185 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 15.870 -1.007 -6.658 1.00 2.27 H new ATOM 392 N SER A 24 16.748 5.226 -2.077 1.00 0.36 N ATOM 393 CA SER A 24 16.098 6.375 -1.447 1.00 0.31 C ATOM 394 C SER A 24 15.197 7.135 -2.421 1.00 0.31 C ATOM 395 O SER A 24 15.533 7.309 -3.592 1.00 0.33 O ATOM 396 CB SER A 24 17.151 7.325 -0.874 1.00 0.42 C ATOM 397 OG SER A 24 18.012 7.805 -1.893 1.00 1.22 O ATOM 0 H SER A 24 17.269 5.447 -2.925 1.00 0.36 H new ATOM 0 HA SER A 24 15.469 5.990 -0.645 1.00 0.31 H new ATOM 0 HB2 SER A 24 16.659 8.165 -0.383 1.00 0.42 H new ATOM 0 HB3 SER A 24 17.736 6.809 -0.113 1.00 0.42 H new ATOM 0 HG SER A 24 18.675 8.412 -1.502 1.00 1.22 H new ATOM 403 N THR A 25 14.054 7.601 -1.912 1.00 0.30 N ATOM 404 CA THR A 25 13.097 8.361 -2.715 1.00 0.30 C ATOM 405 C THR A 25 12.186 9.214 -1.829 1.00 0.31 C ATOM 406 O THR A 25 12.119 9.011 -0.615 1.00 0.30 O ATOM 407 CB THR A 25 12.234 7.439 -3.605 1.00 0.30 C ATOM 408 OG1 THR A 25 11.726 8.176 -4.724 1.00 0.35 O ATOM 409 CG2 THR A 25 11.071 6.839 -2.825 1.00 0.25 C ATOM 0 H THR A 25 13.769 7.464 -0.942 1.00 0.30 H new ATOM 0 HA THR A 25 13.682 9.016 -3.361 1.00 0.30 H new ATOM 0 HB THR A 25 12.869 6.625 -3.954 1.00 0.30 H new ATOM 0 HG1 THR A 25 11.181 7.585 -5.285 1.00 0.35 H new ATOM 0 HG21 THR A 25 10.485 6.196 -3.482 1.00 0.25 H new ATOM 0 HG22 THR A 25 11.456 6.251 -1.992 1.00 0.25 H new ATOM 0 HG23 THR A 25 10.438 7.640 -2.442 1.00 0.25 H new ATOM 417 N TRP A 26 11.479 10.163 -2.443 1.00 0.35 N ATOM 418 CA TRP A 26 10.567 11.041 -1.713 1.00 0.39 C ATOM 419 C TRP A 26 9.184 11.014 -2.357 1.00 0.43 C ATOM 420 O TRP A 26 8.371 11.918 -2.158 1.00 0.65 O ATOM 421 CB TRP A 26 11.098 12.480 -1.697 1.00 0.45 C ATOM 422 CG TRP A 26 12.543 12.597 -1.313 1.00 0.47 C ATOM 423 CD1 TRP A 26 13.624 12.162 -2.028 1.00 0.46 C ATOM 424 CD2 TRP A 26 13.065 13.198 -0.123 1.00 0.53 C ATOM 425 NE1 TRP A 26 14.784 12.450 -1.350 1.00 0.52 N ATOM 426 CE2 TRP A 26 14.468 13.087 -0.179 1.00 0.56 C ATOM 427 CE3 TRP A 26 12.483 13.819 0.985 1.00 0.59 C ATOM 428 CZ2 TRP A 26 15.295 13.574 0.831 1.00 0.64 C ATOM 429 CZ3 TRP A 26 13.303 14.301 1.986 1.00 0.67 C ATOM 430 CH2 TRP A 26 14.697 14.176 1.903 1.00 0.69 C ATOM 0 H TRP A 26 11.521 10.343 -3.446 1.00 0.35 H new ATOM 0 HA TRP A 26 10.495 10.681 -0.687 1.00 0.39 H new ATOM 0 HB2 TRP A 26 10.960 12.918 -2.686 1.00 0.45 H new ATOM 0 HB3 TRP A 26 10.500 13.069 -1.001 1.00 0.45 H new ATOM 0 HD1 TRP A 26 13.574 11.665 -2.985 1.00 0.46 H new ATOM 0 HE1 TRP A 26 15.727 12.226 -1.667 1.00 0.52 H new ATOM 0 HE3 TRP A 26 11.410 13.920 1.057 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 16.369 13.479 0.769 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 12.863 14.782 2.847 1.00 0.67 H new ATOM 0 HH2 TRP A 26 15.311 14.563 2.702 1.00 0.69 H new ATOM 441 N GLU A 27 8.930 9.960 -3.124 1.00 0.32 N ATOM 442 CA GLU A 27 7.651 9.783 -3.803 1.00 0.32 C ATOM 443 C GLU A 27 7.228 8.324 -3.722 1.00 0.27 C ATOM 444 O GLU A 27 8.007 7.432 -4.056 1.00 0.23 O ATOM 445 CB GLU A 27 7.753 10.221 -5.265 1.00 0.35 C ATOM 446 CG GLU A 27 7.705 11.728 -5.454 1.00 1.24 C ATOM 447 CD GLU A 27 9.074 12.326 -5.719 1.00 1.66 C ATOM 448 OE1 GLU A 27 9.692 11.964 -6.741 1.00 2.07 O ATOM 449 OE2 GLU A 27 9.526 13.156 -4.903 1.00 2.09 O ATOM 0 H GLU A 27 9.599 9.209 -3.292 1.00 0.32 H new ATOM 0 HA GLU A 27 6.902 10.404 -3.311 1.00 0.32 H new ATOM 0 HB2 GLU A 27 8.684 9.840 -5.685 1.00 0.35 H new ATOM 0 HB3 GLU A 27 6.939 9.766 -5.829 1.00 0.35 H new ATOM 0 HG2 GLU A 27 7.042 11.965 -6.286 1.00 1.24 H new ATOM 0 HG3 GLU A 27 7.277 12.189 -4.564 1.00 1.24 H new ATOM 456 N LYS A 28 6.011 8.082 -3.250 1.00 0.29 N ATOM 457 CA LYS A 28 5.501 6.725 -3.089 1.00 0.26 C ATOM 458 C LYS A 28 5.548 5.913 -4.386 1.00 0.23 C ATOM 459 O LYS A 28 4.748 6.120 -5.293 1.00 0.24 O ATOM 460 CB LYS A 28 4.068 6.770 -2.557 1.00 0.32 C ATOM 461 CG LYS A 28 3.585 5.453 -1.977 1.00 0.31 C ATOM 462 CD LYS A 28 2.144 5.557 -1.512 1.00 0.43 C ATOM 463 CE LYS A 28 1.974 5.023 -0.101 1.00 0.44 C ATOM 464 NZ LYS A 28 0.952 5.786 0.664 1.00 0.90 N ATOM 0 H LYS A 28 5.356 8.812 -2.971 1.00 0.29 H new ATOM 0 HA LYS A 28 6.153 6.222 -2.375 1.00 0.26 H new ATOM 0 HB2 LYS A 28 4.000 7.540 -1.789 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.400 7.066 -3.366 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.672 4.668 -2.728 1.00 0.31 H new ATOM 0 HG3 LYS A 28 4.221 5.166 -1.140 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.823 6.598 -1.549 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.500 5.000 -2.193 1.00 0.43 H new ATOM 0 HE2 LYS A 28 1.686 3.973 -0.143 1.00 0.44 H new ATOM 0 HE3 LYS A 28 2.929 5.071 0.422 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.867 5.389 1.622 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 1.239 6.784 0.727 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 0.034 5.720 0.179 1.00 0.90 H new ATOM 478 N PRO A 29 6.492 4.957 -4.465 1.00 0.25 N ATOM 479 CA PRO A 29 6.646 4.070 -5.627 1.00 0.25 C ATOM 480 C PRO A 29 5.347 3.336 -5.945 1.00 0.25 C ATOM 481 O PRO A 29 4.725 2.763 -5.053 1.00 0.24 O ATOM 482 CB PRO A 29 7.702 3.058 -5.173 1.00 0.27 C ATOM 483 CG PRO A 29 8.438 3.728 -4.068 1.00 0.54 C ATOM 484 CD PRO A 29 7.468 4.661 -3.411 1.00 0.33 C ATOM 0 HA PRO A 29 6.919 4.621 -6.527 1.00 0.25 H new ATOM 0 HB2 PRO A 29 7.239 2.132 -4.832 1.00 0.27 H new ATOM 0 HB3 PRO A 29 8.373 2.796 -5.991 1.00 0.27 H new ATOM 0 HG2 PRO A 29 8.815 2.996 -3.354 1.00 0.54 H new ATOM 0 HG3 PRO A 29 9.300 4.273 -4.452 1.00 0.54 H new ATOM 0 HD2 PRO A 29 6.993 4.199 -2.546 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.962 5.567 -3.058 1.00 0.33 H new ATOM 492 N LYS A 30 4.918 3.389 -7.201 1.00 0.29 N ATOM 493 CA LYS A 30 3.667 2.765 -7.621 1.00 0.31 C ATOM 494 C LYS A 30 3.486 1.326 -7.119 1.00 0.27 C ATOM 495 O LYS A 30 2.364 0.932 -6.817 1.00 0.25 O ATOM 496 CB LYS A 30 3.562 2.796 -9.145 1.00 0.40 C ATOM 497 CG LYS A 30 4.492 1.812 -9.844 1.00 0.91 C ATOM 498 CD LYS A 30 4.124 1.611 -11.301 1.00 1.38 C ATOM 499 CE LYS A 30 3.955 2.931 -12.041 1.00 2.15 C ATOM 500 NZ LYS A 30 2.702 2.963 -12.845 1.00 2.96 N ATOM 0 H LYS A 30 5.422 3.861 -7.952 1.00 0.29 H new ATOM 0 HA LYS A 30 2.868 3.349 -7.165 1.00 0.31 H new ATOM 0 HB2 LYS A 30 2.534 2.578 -9.434 1.00 0.40 H new ATOM 0 HB3 LYS A 30 3.785 3.804 -9.495 1.00 0.40 H new ATOM 0 HG2 LYS A 30 5.518 2.174 -9.777 1.00 0.91 H new ATOM 0 HG3 LYS A 30 4.458 0.853 -9.327 1.00 0.91 H new ATOM 0 HD2 LYS A 30 4.897 1.019 -11.791 1.00 1.38 H new ATOM 0 HD3 LYS A 30 3.198 1.040 -11.364 1.00 1.38 H new ATOM 0 HE2 LYS A 30 3.946 3.751 -11.323 1.00 2.15 H new ATOM 0 HE3 LYS A 30 4.811 3.091 -12.697 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 2.626 3.878 -13.333 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 2.721 2.197 -13.548 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 1.883 2.836 -12.217 1.00 2.96 H new ATOM 514 N GLU A 31 4.556 0.530 -7.044 1.00 0.27 N ATOM 515 CA GLU A 31 4.432 -0.860 -6.590 1.00 0.27 C ATOM 516 C GLU A 31 4.055 -0.937 -5.109 1.00 0.23 C ATOM 517 O GLU A 31 3.433 -1.901 -4.663 1.00 0.26 O ATOM 518 CB GLU A 31 5.748 -1.606 -6.849 1.00 0.34 C ATOM 519 CG GLU A 31 6.043 -2.715 -5.852 1.00 1.06 C ATOM 520 CD GLU A 31 6.530 -3.986 -6.519 1.00 1.66 C ATOM 521 OE1 GLU A 31 5.679 -4.797 -6.944 1.00 2.45 O ATOM 522 OE2 GLU A 31 7.761 -4.172 -6.617 1.00 1.54 O ATOM 0 H GLU A 31 5.504 0.817 -7.287 1.00 0.27 H new ATOM 0 HA GLU A 31 3.629 -1.334 -7.155 1.00 0.27 H new ATOM 0 HB2 GLU A 31 5.719 -2.032 -7.852 1.00 0.34 H new ATOM 0 HB3 GLU A 31 6.569 -0.889 -6.831 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.796 -2.370 -5.143 1.00 1.06 H new ATOM 0 HG3 GLU A 31 5.142 -2.932 -5.279 1.00 1.06 H new ATOM 529 N LEU A 32 4.395 0.109 -4.372 1.00 0.22 N ATOM 530 CA LEU A 32 4.052 0.185 -2.958 1.00 0.24 C ATOM 531 C LEU A 32 2.673 0.845 -2.809 1.00 0.25 C ATOM 532 O LEU A 32 2.056 0.826 -1.745 1.00 0.39 O ATOM 533 CB LEU A 32 5.199 0.857 -2.170 1.00 0.36 C ATOM 534 CG LEU A 32 5.003 2.278 -1.638 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.029 2.310 -0.488 1.00 0.37 C ATOM 536 CD2 LEU A 32 6.333 2.823 -1.159 1.00 1.19 C ATOM 0 H LEU A 32 4.907 0.916 -4.727 1.00 0.22 H new ATOM 0 HA LEU A 32 3.955 -0.806 -2.515 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.432 0.217 -1.319 1.00 0.36 H new ATOM 0 HB3 LEU A 32 6.079 0.865 -2.813 1.00 0.36 H new ATOM 0 HG LEU A 32 4.604 2.886 -2.450 1.00 0.49 H new ATOM 0 HD11 LEU A 32 3.915 3.335 -0.136 1.00 0.37 H new ATOM 0 HD12 LEU A 32 3.062 1.930 -0.819 1.00 0.37 H new ATOM 0 HD13 LEU A 32 4.404 1.687 0.324 1.00 0.37 H new ATOM 0 HD21 LEU A 32 6.196 3.836 -0.779 1.00 1.19 H new ATOM 0 HD22 LEU A 32 6.722 2.187 -0.364 1.00 1.19 H new ATOM 0 HD23 LEU A 32 7.040 2.839 -1.989 1.00 1.19 H new ATOM 548 N ILE A 33 2.189 1.371 -3.934 1.00 0.26 N ATOM 549 CA ILE A 33 0.870 2.001 -4.010 1.00 0.28 C ATOM 550 C ILE A 33 -0.189 1.007 -4.491 1.00 0.27 C ATOM 551 O ILE A 33 -1.349 1.058 -4.079 1.00 0.32 O ATOM 552 CB ILE A 33 0.857 3.195 -4.989 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.844 4.275 -4.562 1.00 0.30 C ATOM 554 CG2 ILE A 33 -0.546 3.779 -5.093 1.00 0.31 C ATOM 555 CD1 ILE A 33 2.071 5.322 -5.631 1.00 0.36 C ATOM 0 H ILE A 33 2.699 1.373 -4.817 1.00 0.26 H new ATOM 0 HA ILE A 33 0.644 2.346 -3.001 1.00 0.28 H new ATOM 0 HB ILE A 33 1.164 2.826 -5.968 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.475 4.760 -3.658 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.796 3.810 -4.308 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -0.540 4.620 -5.787 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -1.232 3.014 -5.456 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -0.871 4.121 -4.111 1.00 0.31 H new ATOM 0 HD11 ILE A 33 2.783 6.064 -5.269 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.468 4.846 -6.528 1.00 0.36 H new ATOM 0 HD13 ILE A 33 1.126 5.811 -5.868 1.00 0.36 H new ATOM 567 N SER A 34 0.224 0.137 -5.404 1.00 0.24 N ATOM 568 CA SER A 34 -0.660 -0.850 -6.014 1.00 0.25 C ATOM 569 C SER A 34 -1.003 -2.011 -5.094 1.00 0.25 C ATOM 570 O SER A 34 -1.923 -2.756 -5.387 1.00 0.26 O ATOM 571 CB SER A 34 -0.069 -1.380 -7.313 1.00 0.25 C ATOM 572 OG SER A 34 1.315 -1.649 -7.178 1.00 0.26 O ATOM 0 H SER A 34 1.185 0.095 -5.744 1.00 0.24 H new ATOM 0 HA SER A 34 -1.592 -0.323 -6.220 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.591 -2.290 -7.608 1.00 0.25 H new ATOM 0 HB3 SER A 34 -0.224 -0.652 -8.109 1.00 0.25 H new ATOM 0 HG SER A 34 1.815 -0.806 -7.190 1.00 0.26 H new ATOM 578 N GLN A 35 -0.250 -2.190 -4.017 1.00 0.23 N ATOM 579 CA GLN A 35 -0.511 -3.296 -3.095 1.00 0.23 C ATOM 580 C GLN A 35 -1.724 -2.996 -2.209 1.00 0.23 C ATOM 581 O GLN A 35 -2.686 -3.766 -2.173 1.00 0.24 O ATOM 582 CB GLN A 35 0.727 -3.556 -2.227 1.00 0.23 C ATOM 583 CG GLN A 35 0.424 -4.237 -0.900 1.00 0.28 C ATOM 584 CD GLN A 35 1.284 -5.462 -0.664 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.472 -5.350 -0.361 1.00 0.56 O ATOM 586 NE2 GLN A 35 0.687 -6.640 -0.800 1.00 0.65 N ATOM 0 H GLN A 35 0.537 -1.595 -3.759 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.732 -4.188 -3.681 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.428 -4.174 -2.788 1.00 0.23 H new ATOM 0 HB3 GLN A 35 1.226 -2.607 -2.030 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.579 -3.527 -0.088 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.627 -4.525 -0.875 1.00 0.28 H new ATOM 0 HE21 GLN A 35 -0.300 -6.685 -1.052 1.00 0.65 H new ATOM 0 HE22 GLN A 35 1.216 -7.500 -0.652 1.00 0.65 H new ATOM 595 N GLU A 36 -1.656 -1.882 -1.487 1.00 0.23 N ATOM 596 CA GLU A 36 -2.735 -1.480 -0.588 1.00 0.24 C ATOM 597 C GLU A 36 -4.080 -1.497 -1.308 1.00 0.23 C ATOM 598 O GLU A 36 -5.109 -1.825 -0.717 1.00 0.24 O ATOM 599 CB GLU A 36 -2.463 -0.087 -0.017 1.00 0.26 C ATOM 600 CG GLU A 36 -1.871 -0.110 1.383 1.00 1.04 C ATOM 601 CD GLU A 36 -0.373 -0.354 1.376 1.00 1.71 C ATOM 602 OE1 GLU A 36 0.298 0.095 0.425 1.00 2.12 O ATOM 603 OE2 GLU A 36 0.128 -0.993 2.325 1.00 2.41 O ATOM 0 H GLU A 36 -0.864 -1.240 -1.506 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.775 -2.197 0.232 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -1.781 0.443 -0.682 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -3.395 0.478 0.000 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -2.079 0.839 1.878 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -2.360 -0.889 1.968 1.00 1.04 H new ATOM 610 N GLU A 37 -4.059 -1.150 -2.588 1.00 0.23 N ATOM 611 CA GLU A 37 -5.267 -1.133 -3.399 1.00 0.25 C ATOM 612 C GLU A 37 -5.793 -2.548 -3.616 1.00 0.24 C ATOM 613 O GLU A 37 -6.996 -2.769 -3.770 1.00 0.26 O ATOM 614 CB GLU A 37 -4.967 -0.479 -4.751 1.00 0.26 C ATOM 615 CG GLU A 37 -5.731 0.805 -4.993 1.00 0.31 C ATOM 616 CD GLU A 37 -7.137 0.562 -5.503 1.00 0.33 C ATOM 617 OE1 GLU A 37 -7.303 0.391 -6.728 1.00 0.99 O ATOM 618 OE2 GLU A 37 -8.074 0.544 -4.676 1.00 0.80 O ATOM 0 H GLU A 37 -3.214 -0.875 -3.088 1.00 0.23 H new ATOM 0 HA GLU A 37 -6.031 -0.559 -2.875 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -3.899 -0.272 -4.815 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.203 -1.186 -5.546 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.779 1.375 -4.065 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -5.188 1.416 -5.714 1.00 0.31 H new ATOM 625 N LEU A 38 -4.866 -3.496 -3.653 1.00 0.24 N ATOM 626 CA LEU A 38 -5.182 -4.893 -3.886 1.00 0.26 C ATOM 627 C LEU A 38 -5.721 -5.552 -2.630 1.00 0.27 C ATOM 628 O LEU A 38 -6.391 -6.577 -2.703 1.00 0.30 O ATOM 629 CB LEU A 38 -3.932 -5.630 -4.373 1.00 0.26 C ATOM 630 CG LEU A 38 -4.152 -6.629 -5.509 1.00 0.32 C ATOM 631 CD1 LEU A 38 -5.159 -7.696 -5.109 1.00 0.60 C ATOM 632 CD2 LEU A 38 -4.608 -5.908 -6.769 1.00 0.69 C ATOM 0 H LEU A 38 -3.871 -3.314 -3.521 1.00 0.24 H new ATOM 0 HA LEU A 38 -5.957 -4.947 -4.651 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.201 -4.891 -4.700 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.493 -6.160 -3.528 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.203 -7.123 -5.716 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -5.297 -8.394 -5.935 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -4.791 -8.235 -4.236 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -6.112 -7.225 -4.869 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -4.760 -6.633 -7.568 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.544 -5.385 -6.571 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -3.847 -5.188 -7.072 1.00 0.69 H new ATOM 644 N LEU A 39 -5.447 -4.954 -1.481 1.00 0.25 N ATOM 645 CA LEU A 39 -5.948 -5.498 -0.230 1.00 0.26 C ATOM 646 C LEU A 39 -7.328 -4.938 0.012 1.00 0.26 C ATOM 647 O LEU A 39 -8.224 -5.615 0.517 1.00 0.27 O ATOM 648 CB LEU A 39 -5.013 -5.155 0.929 1.00 0.27 C ATOM 649 CG LEU A 39 -3.522 -5.295 0.623 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.703 -4.398 1.536 1.00 0.34 C ATOM 651 CD2 LEU A 39 -3.084 -6.744 0.760 1.00 0.40 C ATOM 0 H LEU A 39 -4.889 -4.105 -1.389 1.00 0.25 H new ATOM 0 HA LEU A 39 -5.995 -6.585 -0.295 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -5.209 -4.130 1.242 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.256 -5.798 1.774 1.00 0.27 H new ATOM 0 HG LEU A 39 -3.351 -4.981 -0.407 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.644 -4.511 1.303 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.998 -3.360 1.386 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.878 -4.679 2.575 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -2.020 -6.825 0.539 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.270 -7.086 1.778 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.648 -7.362 0.062 1.00 0.40 H new ATOM 663 N LEU A 40 -7.479 -3.698 -0.398 1.00 0.24 N ATOM 664 CA LEU A 40 -8.732 -3.002 -0.292 1.00 0.25 C ATOM 665 C LEU A 40 -9.814 -3.842 -0.956 1.00 0.27 C ATOM 666 O LEU A 40 -10.823 -4.189 -0.343 1.00 0.29 O ATOM 667 CB LEU A 40 -8.590 -1.646 -0.978 1.00 0.25 C ATOM 668 CG LEU A 40 -8.766 -0.411 -0.084 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.240 -0.667 1.322 1.00 0.28 C ATOM 670 CD2 LEU A 40 -8.055 0.785 -0.701 1.00 0.29 C ATOM 0 H LEU A 40 -6.730 -3.146 -0.815 1.00 0.24 H new ATOM 0 HA LEU A 40 -9.008 -2.842 0.750 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.603 -1.597 -1.439 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.321 -1.592 -1.784 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.832 -0.196 -0.010 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.379 0.226 1.931 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.785 -1.499 1.769 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -7.179 -0.912 1.275 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -8.186 1.657 -0.060 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -6.992 0.564 -0.802 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.477 0.992 -1.684 1.00 0.29 H new ATOM 682 N ARG A 41 -9.583 -4.147 -2.228 1.00 0.28 N ATOM 683 CA ARG A 41 -10.505 -4.932 -3.041 1.00 0.33 C ATOM 684 C ARG A 41 -10.979 -6.198 -2.336 1.00 0.35 C ATOM 685 O ARG A 41 -12.177 -6.417 -2.150 1.00 0.36 O ATOM 686 CB ARG A 41 -9.795 -5.327 -4.333 1.00 0.34 C ATOM 687 CG ARG A 41 -10.736 -5.693 -5.454 1.00 0.78 C ATOM 688 CD ARG A 41 -10.790 -7.198 -5.667 1.00 1.44 C ATOM 689 NE ARG A 41 -12.075 -7.764 -5.268 1.00 2.09 N ATOM 690 CZ ARG A 41 -12.661 -8.780 -5.896 1.00 2.87 C ATOM 691 NH1 ARG A 41 -12.075 -9.339 -6.947 1.00 3.32 N ATOM 692 NH2 ARG A 41 -13.831 -9.240 -5.473 1.00 3.63 N ATOM 0 H ARG A 41 -8.744 -3.854 -2.728 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.384 -4.317 -3.235 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -9.162 -4.501 -4.657 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -9.137 -6.173 -4.132 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -11.735 -5.320 -5.228 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -10.414 -5.205 -6.374 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -10.607 -7.422 -6.718 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -9.992 -7.673 -5.096 1.00 1.44 H new ATOM 0 HE ARG A 41 -12.550 -7.358 -4.462 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -11.174 -8.990 -7.274 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -12.525 -10.118 -7.428 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -14.284 -8.815 -4.664 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -14.278 -10.019 -5.957 1.00 3.63 H new ATOM 706 N GLU A 42 -10.018 -7.036 -1.987 1.00 0.38 N ATOM 707 CA GLU A 42 -10.278 -8.317 -1.337 1.00 0.41 C ATOM 708 C GLU A 42 -11.286 -8.208 -0.195 1.00 0.37 C ATOM 709 O GLU A 42 -12.025 -9.155 0.073 1.00 0.43 O ATOM 710 CB GLU A 42 -8.966 -8.902 -0.810 1.00 0.45 C ATOM 711 CG GLU A 42 -8.638 -10.269 -1.381 1.00 0.60 C ATOM 712 CD GLU A 42 -8.463 -11.325 -0.306 1.00 0.73 C ATOM 713 OE1 GLU A 42 -9.485 -11.810 0.222 1.00 0.85 O ATOM 714 OE2 GLU A 42 -7.303 -11.668 0.005 1.00 1.14 O ATOM 0 H GLU A 42 -9.028 -6.849 -2.146 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.714 -8.975 -2.089 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -8.152 -8.215 -1.043 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -9.021 -8.975 0.276 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -9.434 -10.575 -2.060 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -7.724 -10.202 -1.971 1.00 0.60 H new ATOM 721 N ASN A 43 -11.315 -7.066 0.483 1.00 0.35 N ATOM 722 CA ASN A 43 -12.240 -6.882 1.596 1.00 0.34 C ATOM 723 C ASN A 43 -13.461 -6.057 1.187 1.00 0.35 C ATOM 724 O ASN A 43 -14.502 -6.119 1.843 1.00 0.37 O ATOM 725 CB ASN A 43 -11.524 -6.234 2.780 1.00 0.30 C ATOM 726 CG ASN A 43 -10.175 -6.859 3.047 1.00 0.30 C ATOM 727 OD1 ASN A 43 -9.129 -6.050 2.952 1.00 0.39 O flip ATOM 728 ND2 ASN A 43 -10.070 -8.052 3.331 1.00 0.28 N flip ATOM 0 H ASN A 43 -10.717 -6.263 0.286 1.00 0.35 H new ATOM 0 HA ASN A 43 -12.598 -7.867 1.896 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.396 -5.169 2.586 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.146 -6.323 3.671 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -10.903 -8.637 3.393 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -9.150 -8.456 3.504 1.00 0.28 H new ATOM 735 N GLY A 44 -13.345 -5.303 0.094 1.00 0.35 N ATOM 736 CA GLY A 44 -14.475 -4.510 -0.371 1.00 0.39 C ATOM 737 C GLY A 44 -14.413 -3.050 0.046 1.00 0.37 C ATOM 738 O GLY A 44 -15.447 -2.439 0.314 1.00 0.40 O ATOM 0 H GLY A 44 -12.500 -5.227 -0.472 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.523 -4.566 -1.459 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.397 -4.949 0.012 1.00 0.39 H new ATOM 742 N TRP A 45 -13.213 -2.479 0.089 1.00 0.34 N ATOM 743 CA TRP A 45 -13.058 -1.075 0.467 1.00 0.36 C ATOM 744 C TRP A 45 -12.525 -0.248 -0.696 1.00 0.39 C ATOM 745 O TRP A 45 -12.117 -0.786 -1.725 1.00 0.43 O ATOM 746 CB TRP A 45 -12.106 -0.929 1.655 1.00 0.34 C ATOM 747 CG TRP A 45 -12.541 -1.672 2.878 1.00 0.32 C ATOM 748 CD1 TRP A 45 -12.608 -3.023 3.027 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.965 -1.107 4.123 1.00 0.27 C ATOM 750 NE1 TRP A 45 -13.039 -3.339 4.294 1.00 0.59 N ATOM 751 CE2 TRP A 45 -13.268 -2.178 4.986 1.00 0.44 C ATOM 752 CE3 TRP A 45 -13.114 0.199 4.595 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.711 -1.982 6.291 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.556 0.393 5.890 1.00 0.51 C ATOM 755 CH2 TRP A 45 -13.849 -0.692 6.726 1.00 0.56 C ATOM 0 H TRP A 45 -12.341 -2.960 -0.131 1.00 0.34 H new ATOM 0 HA TRP A 45 -14.046 -0.708 0.746 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -11.117 -1.281 1.361 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -12.007 0.128 1.901 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -12.359 -3.743 2.261 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -13.167 -4.283 4.659 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -12.888 1.042 3.959 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -13.938 -2.818 6.937 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -13.678 1.399 6.264 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.191 -0.507 7.734 1.00 0.56 H new ATOM 766 N LYS A 46 -12.509 1.067 -0.506 1.00 0.41 N ATOM 767 CA LYS A 46 -12.003 1.988 -1.514 1.00 0.50 C ATOM 768 C LYS A 46 -11.357 3.189 -0.848 1.00 0.51 C ATOM 769 O LYS A 46 -11.486 3.387 0.363 1.00 0.47 O ATOM 770 CB LYS A 46 -13.102 2.444 -2.471 1.00 0.59 C ATOM 771 CG LYS A 46 -14.105 3.394 -1.858 1.00 1.22 C ATOM 772 CD LYS A 46 -14.565 4.437 -2.864 1.00 1.73 C ATOM 773 CE LYS A 46 -13.748 5.714 -2.762 1.00 2.80 C ATOM 774 NZ LYS A 46 -14.397 6.842 -3.486 1.00 3.65 N ATOM 0 H LYS A 46 -12.844 1.520 0.344 1.00 0.41 H new ATOM 0 HA LYS A 46 -11.256 1.455 -2.102 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -12.640 2.927 -3.332 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -13.631 1.567 -2.843 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -14.965 2.833 -1.494 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -13.660 3.889 -0.995 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -14.482 4.031 -3.872 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -15.618 4.664 -2.697 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -13.619 5.981 -1.713 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -12.753 5.543 -3.172 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -13.666 7.467 -3.881 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -14.985 6.467 -4.257 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -14.994 7.381 -2.826 1.00 3.65 H new ATOM 788 N ALA A 47 -10.651 3.977 -1.641 1.00 0.58 N ATOM 789 CA ALA A 47 -9.965 5.153 -1.126 1.00 0.63 C ATOM 790 C ALA A 47 -10.468 6.441 -1.769 1.00 0.70 C ATOM 791 O ALA A 47 -10.654 6.515 -2.984 1.00 0.75 O ATOM 792 CB ALA A 47 -8.466 5.011 -1.332 1.00 0.71 C ATOM 0 H ALA A 47 -10.537 3.825 -2.643 1.00 0.58 H new ATOM 0 HA ALA A 47 -10.182 5.219 -0.060 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -7.960 5.895 -0.944 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -8.108 4.127 -0.804 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -8.253 4.909 -2.396 1.00 0.71 H new ATOM 798 N ALA A 48 -10.674 7.456 -0.935 1.00 0.74 N ATOM 799 CA ALA A 48 -11.140 8.756 -1.395 1.00 0.84 C ATOM 800 C ALA A 48 -10.563 9.857 -0.512 1.00 0.94 C ATOM 801 O ALA A 48 -9.909 9.571 0.490 1.00 0.92 O ATOM 802 CB ALA A 48 -12.662 8.804 -1.392 1.00 0.79 C ATOM 0 H ALA A 48 -10.523 7.399 0.072 1.00 0.74 H new ATOM 0 HA ALA A 48 -10.797 8.915 -2.417 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -12.996 9.782 -1.738 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -13.052 8.032 -2.055 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -13.029 8.633 -0.380 1.00 0.79 H new ATOM 808 N LYS A 49 -10.806 11.112 -0.873 1.00 1.06 N ATOM 809 CA LYS A 49 -10.303 12.234 -0.085 1.00 1.18 C ATOM 810 C LYS A 49 -11.385 13.285 0.115 1.00 1.27 C ATOM 811 O LYS A 49 -12.353 13.354 -0.642 1.00 1.27 O ATOM 812 CB LYS A 49 -9.076 12.866 -0.745 1.00 1.31 C ATOM 813 CG LYS A 49 -8.005 13.297 0.243 1.00 1.36 C ATOM 814 CD LYS A 49 -6.665 13.516 -0.443 1.00 1.44 C ATOM 815 CE LYS A 49 -6.091 12.217 -0.985 1.00 1.33 C ATOM 816 NZ LYS A 49 -5.594 12.371 -2.381 1.00 1.82 N ATOM 0 H LYS A 49 -11.343 11.378 -1.698 1.00 1.06 H new ATOM 0 HA LYS A 49 -10.009 11.844 0.890 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -8.644 12.153 -1.447 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -9.393 13.733 -1.325 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -8.315 14.217 0.738 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -7.898 12.538 1.018 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -6.786 14.229 -1.259 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -5.962 13.957 0.264 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -5.275 11.885 -0.343 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -6.856 11.441 -0.955 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -5.210 11.464 -2.715 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -6.378 12.664 -2.998 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -4.846 13.093 -2.406 1.00 1.82 H new ATOM 830 N THR A 50 -11.212 14.096 1.148 1.00 1.36 N ATOM 831 CA THR A 50 -12.164 15.147 1.473 1.00 1.47 C ATOM 832 C THR A 50 -11.747 16.474 0.849 1.00 1.62 C ATOM 833 O THR A 50 -10.686 16.573 0.233 1.00 1.64 O ATOM 834 CB THR A 50 -12.264 15.332 2.997 1.00 1.47 C ATOM 835 OG1 THR A 50 -11.071 15.951 3.489 1.00 1.51 O ATOM 836 CG2 THR A 50 -12.478 13.996 3.692 1.00 1.34 C ATOM 0 H THR A 50 -10.413 14.045 1.781 1.00 1.36 H new ATOM 0 HA THR A 50 -13.132 14.846 1.072 1.00 1.47 H new ATOM 0 HB THR A 50 -13.120 15.972 3.212 1.00 1.47 H new ATOM 0 HG1 THR A 50 -11.268 16.423 4.325 1.00 1.51 H new ATOM 0 HG21 THR A 50 -12.546 14.153 4.769 1.00 1.34 H new ATOM 0 HG22 THR A 50 -13.402 13.543 3.333 1.00 1.34 H new ATOM 0 HG23 THR A 50 -11.640 13.334 3.474 1.00 1.34 H new ATOM 844 N ALA A 51 -12.574 17.502 1.036 1.00 1.74 N ATOM 845 CA ALA A 51 -12.268 18.829 0.515 1.00 1.90 C ATOM 846 C ALA A 51 -11.148 19.452 1.341 1.00 2.01 C ATOM 847 O ALA A 51 -10.690 20.561 1.069 1.00 2.29 O ATOM 848 CB ALA A 51 -13.507 19.712 0.541 1.00 1.99 C ATOM 0 H ALA A 51 -13.457 17.440 1.543 1.00 1.74 H new ATOM 0 HA ALA A 51 -11.941 18.740 -0.521 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -13.259 20.698 0.149 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -14.287 19.262 -0.073 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -13.863 19.809 1.567 1.00 1.99 H new ATOM 854 N ASP A 52 -10.710 18.698 2.342 1.00 1.82 N ATOM 855 CA ASP A 52 -9.633 19.121 3.226 1.00 1.90 C ATOM 856 C ASP A 52 -8.419 18.217 3.049 1.00 1.81 C ATOM 857 O ASP A 52 -7.519 18.194 3.889 1.00 1.82 O ATOM 858 CB ASP A 52 -10.097 19.102 4.683 1.00 1.92 C ATOM 859 CG ASP A 52 -10.425 20.487 5.204 1.00 2.03 C ATOM 860 OD1 ASP A 52 -11.339 21.131 4.647 1.00 1.97 O ATOM 861 OD2 ASP A 52 -9.770 20.926 6.173 1.00 2.45 O ATOM 0 H ASP A 52 -11.091 17.778 2.563 1.00 1.82 H new ATOM 0 HA ASP A 52 -9.352 20.141 2.965 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -10.977 18.465 4.773 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -9.318 18.659 5.304 1.00 1.92 H new ATOM 866 N GLY A 53 -8.404 17.468 1.947 1.00 1.73 N ATOM 867 CA GLY A 53 -7.302 16.568 1.675 1.00 1.66 C ATOM 868 C GLY A 53 -7.275 15.385 2.617 1.00 1.53 C ATOM 869 O GLY A 53 -6.307 14.625 2.640 1.00 1.55 O ATOM 0 H GLY A 53 -9.138 17.471 1.239 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -7.375 16.209 0.648 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -6.362 17.114 1.756 1.00 1.66 H new ATOM 873 N LYS A 54 -8.347 15.215 3.388 1.00 1.43 N ATOM 874 CA LYS A 54 -8.429 14.099 4.316 1.00 1.32 C ATOM 875 C LYS A 54 -8.644 12.804 3.549 1.00 1.19 C ATOM 876 O LYS A 54 -9.648 12.640 2.859 1.00 1.20 O ATOM 877 CB LYS A 54 -9.548 14.301 5.338 1.00 1.33 C ATOM 878 CG LYS A 54 -9.092 15.006 6.606 1.00 1.57 C ATOM 879 CD LYS A 54 -9.735 16.375 6.745 1.00 1.57 C ATOM 880 CE LYS A 54 -8.937 17.270 7.680 1.00 1.53 C ATOM 881 NZ LYS A 54 -7.573 17.548 7.151 1.00 1.92 N ATOM 0 H LYS A 54 -9.160 15.830 3.387 1.00 1.43 H new ATOM 0 HA LYS A 54 -7.488 14.044 4.863 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -10.349 14.880 4.878 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -9.967 13.330 5.602 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -9.343 14.395 7.473 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -8.007 15.112 6.594 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -9.809 16.845 5.764 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -10.751 16.265 7.124 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -9.469 18.210 7.825 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -8.858 16.795 8.658 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -7.230 18.453 7.533 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -6.927 16.785 7.437 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -7.607 17.601 6.113 1.00 1.92 H new ATOM 895 N VAL A 55 -7.702 11.881 3.682 1.00 1.09 N ATOM 896 CA VAL A 55 -7.805 10.598 3.004 1.00 0.99 C ATOM 897 C VAL A 55 -8.619 9.630 3.850 1.00 0.88 C ATOM 898 O VAL A 55 -8.250 9.328 4.986 1.00 0.90 O ATOM 899 CB VAL A 55 -6.418 9.987 2.726 1.00 0.98 C ATOM 900 CG1 VAL A 55 -6.517 8.904 1.665 1.00 0.93 C ATOM 901 CG2 VAL A 55 -5.430 11.066 2.306 1.00 1.14 C ATOM 0 H VAL A 55 -6.863 11.996 4.250 1.00 1.09 H new ATOM 0 HA VAL A 55 -8.300 10.769 2.048 1.00 0.99 H new ATOM 0 HB VAL A 55 -6.052 9.532 3.646 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -5.528 8.483 1.481 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -7.188 8.117 2.010 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -6.906 9.334 0.742 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -4.457 10.614 2.114 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -5.788 11.554 1.400 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -5.337 11.804 3.103 1.00 1.14 H new ATOM 911 N TYR A 56 -9.732 9.156 3.305 1.00 0.80 N ATOM 912 CA TYR A 56 -10.592 8.239 4.038 1.00 0.74 C ATOM 913 C TYR A 56 -10.944 7.002 3.215 1.00 0.63 C ATOM 914 O TYR A 56 -11.230 7.088 2.021 1.00 0.62 O ATOM 915 CB TYR A 56 -11.868 8.960 4.489 1.00 0.85 C ATOM 916 CG TYR A 56 -12.915 9.117 3.407 1.00 0.89 C ATOM 917 CD1 TYR A 56 -12.839 10.161 2.493 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.972 8.220 3.290 1.00 0.89 C ATOM 919 CE1 TYR A 56 -13.784 10.309 1.496 1.00 1.02 C ATOM 920 CE2 TYR A 56 -14.920 8.361 2.295 1.00 0.93 C ATOM 921 CZ TYR A 56 -14.857 9.407 1.434 1.00 0.98 C ATOM 922 OH TYR A 56 -15.764 9.550 0.409 1.00 1.03 O ATOM 0 H TYR A 56 -10.057 9.389 2.367 1.00 0.80 H new ATOM 0 HA TYR A 56 -10.040 7.899 4.914 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -12.305 8.411 5.323 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -11.599 9.948 4.863 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -12.027 10.869 2.563 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -14.053 7.400 3.988 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -13.698 11.108 0.774 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.714 7.635 2.202 1.00 0.93 H new ATOM 0 HH TYR A 56 -16.455 8.859 0.485 1.00 1.03 H new ATOM 932 N TYR A 57 -10.939 5.854 3.884 1.00 0.58 N ATOM 933 CA TYR A 57 -11.276 4.587 3.250 1.00 0.48 C ATOM 934 C TYR A 57 -12.608 4.089 3.795 1.00 0.45 C ATOM 935 O TYR A 57 -12.857 4.165 4.996 1.00 0.47 O ATOM 936 CB TYR A 57 -10.179 3.550 3.504 1.00 0.43 C ATOM 937 CG TYR A 57 -8.779 4.102 3.353 1.00 0.44 C ATOM 938 CD1 TYR A 57 -8.205 4.256 2.097 1.00 0.45 C ATOM 939 CD2 TYR A 57 -8.032 4.466 4.465 1.00 0.49 C ATOM 940 CE1 TYR A 57 -6.924 4.759 1.954 1.00 0.48 C ATOM 941 CE2 TYR A 57 -6.751 4.970 4.330 1.00 0.51 C ATOM 942 CZ TYR A 57 -6.205 5.119 3.072 1.00 0.49 C ATOM 943 OH TYR A 57 -4.929 5.614 2.935 1.00 0.54 O ATOM 0 H TYR A 57 -10.703 5.776 4.873 1.00 0.58 H new ATOM 0 HA TYR A 57 -11.358 4.738 2.174 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -10.296 3.149 4.511 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -10.309 2.718 2.812 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.768 3.979 1.218 1.00 0.45 H new ATOM 0 HD2 TYR A 57 -8.458 4.354 5.451 1.00 0.49 H new ATOM 0 HE1 TYR A 57 -6.490 4.869 0.971 1.00 0.48 H new ATOM 0 HE2 TYR A 57 -6.181 5.245 5.205 1.00 0.51 H new ATOM 0 HH TYR A 57 -4.561 5.820 3.820 1.00 0.54 H new ATOM 953 N TYR A 58 -13.465 3.582 2.916 1.00 0.41 N ATOM 954 CA TYR A 58 -14.767 3.084 3.353 1.00 0.41 C ATOM 955 C TYR A 58 -15.216 1.862 2.554 1.00 0.35 C ATOM 956 O TYR A 58 -14.868 1.707 1.383 1.00 0.34 O ATOM 957 CB TYR A 58 -15.818 4.198 3.286 1.00 0.46 C ATOM 958 CG TYR A 58 -16.470 4.370 1.934 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.854 5.111 0.934 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.695 3.781 1.654 1.00 0.47 C ATOM 961 CE1 TYR A 58 -16.440 5.262 -0.307 1.00 0.46 C ATOM 962 CE2 TYR A 58 -18.289 3.925 0.416 1.00 0.48 C ATOM 963 CZ TYR A 58 -17.682 4.708 -0.544 1.00 0.47 C ATOM 964 OH TYR A 58 -18.247 4.813 -1.796 1.00 0.50 O ATOM 0 H TYR A 58 -13.289 3.505 1.914 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.661 2.764 4.390 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.593 3.993 4.025 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -15.348 5.140 3.570 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.900 5.577 1.130 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -18.192 3.200 2.417 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -15.931 5.809 -1.086 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -19.223 3.428 0.200 1.00 0.48 H new ATOM 0 HH TYR A 58 -19.121 4.370 -1.799 1.00 0.50 H new ATOM 974 N ASN A 59 -16.000 1.006 3.203 1.00 0.34 N ATOM 975 CA ASN A 59 -16.521 -0.203 2.572 1.00 0.32 C ATOM 976 C ASN A 59 -17.976 0.010 2.147 1.00 0.35 C ATOM 977 O ASN A 59 -18.871 0.061 2.991 1.00 0.41 O ATOM 978 CB ASN A 59 -16.419 -1.387 3.538 1.00 0.33 C ATOM 979 CG ASN A 59 -16.693 -2.716 2.862 1.00 0.33 C ATOM 980 OD1 ASN A 59 -17.788 -2.953 2.358 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.697 -3.596 2.851 1.00 0.46 N ATOM 0 H ASN A 59 -16.290 1.129 4.173 1.00 0.34 H new ATOM 0 HA ASN A 59 -15.926 -0.422 1.685 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -15.422 -1.407 3.979 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -17.127 -1.246 4.355 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -15.827 -4.508 2.413 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.803 -3.360 3.281 1.00 0.46 H new ATOM 988 N PRO A 60 -18.227 0.163 0.831 1.00 0.36 N ATOM 989 CA PRO A 60 -19.578 0.398 0.296 1.00 0.42 C ATOM 990 C PRO A 60 -20.510 -0.804 0.452 1.00 0.45 C ATOM 991 O PRO A 60 -21.679 -0.739 0.072 1.00 0.46 O ATOM 992 CB PRO A 60 -19.339 0.687 -1.194 1.00 0.47 C ATOM 993 CG PRO A 60 -17.876 0.946 -1.323 1.00 0.43 C ATOM 994 CD PRO A 60 -17.218 0.147 -0.238 1.00 0.36 C ATOM 0 HA PRO A 60 -20.073 1.206 0.834 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -19.643 -0.159 -1.811 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -19.920 1.548 -1.524 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -17.511 0.645 -2.305 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -17.657 2.008 -1.213 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -16.989 -0.868 -0.564 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -16.279 0.597 0.084 1.00 0.36 H new ATOM 1002 N THR A 61 -19.995 -1.897 1.005 1.00 0.47 N ATOM 1003 CA THR A 61 -20.800 -3.100 1.194 1.00 0.53 C ATOM 1004 C THR A 61 -21.413 -3.142 2.594 1.00 0.58 C ATOM 1005 O THR A 61 -22.562 -3.551 2.765 1.00 0.64 O ATOM 1006 CB THR A 61 -19.968 -4.381 0.934 1.00 0.53 C ATOM 1007 OG1 THR A 61 -20.556 -5.132 -0.135 1.00 0.96 O ATOM 1008 CG2 THR A 61 -19.866 -5.264 2.174 1.00 0.81 C ATOM 0 H THR A 61 -19.031 -1.976 1.328 1.00 0.47 H new ATOM 0 HA THR A 61 -21.610 -3.065 0.465 1.00 0.53 H new ATOM 0 HB THR A 61 -18.960 -4.065 0.666 1.00 0.53 H new ATOM 0 HG1 THR A 61 -20.026 -5.940 -0.297 1.00 0.96 H new ATOM 0 HG21 THR A 61 -19.274 -6.149 1.943 1.00 0.81 H new ATOM 0 HG22 THR A 61 -19.386 -4.707 2.979 1.00 0.81 H new ATOM 0 HG23 THR A 61 -20.865 -5.567 2.488 1.00 0.81 H new ATOM 1016 N THR A 62 -20.641 -2.718 3.590 1.00 0.57 N ATOM 1017 CA THR A 62 -21.111 -2.709 4.971 1.00 0.65 C ATOM 1018 C THR A 62 -21.285 -1.282 5.481 1.00 0.65 C ATOM 1019 O THR A 62 -21.686 -1.063 6.625 1.00 0.72 O ATOM 1020 CB THR A 62 -20.140 -3.472 5.901 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.196 -2.940 7.230 1.00 0.66 O ATOM 1022 CG2 THR A 62 -18.716 -3.390 5.381 1.00 0.73 C ATOM 0 H THR A 62 -19.688 -2.376 3.467 1.00 0.57 H new ATOM 0 HA THR A 62 -22.078 -3.213 4.983 1.00 0.65 H new ATOM 0 HB THR A 62 -20.448 -4.517 5.920 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.086 -2.565 7.395 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.052 -3.934 6.052 1.00 0.73 H new ATOM 0 HG22 THR A 62 -18.666 -3.831 4.385 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.406 -2.346 5.332 1.00 0.73 H new ATOM 1030 N ARG A 63 -20.978 -0.312 4.623 1.00 0.58 N ATOM 1031 CA ARG A 63 -21.093 1.096 4.984 1.00 0.59 C ATOM 1032 C ARG A 63 -20.189 1.416 6.169 1.00 0.60 C ATOM 1033 O ARG A 63 -20.612 2.042 7.141 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.544 1.447 5.321 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.415 1.680 4.097 1.00 0.80 C ATOM 1036 CD ARG A 63 -23.899 3.119 4.026 1.00 1.42 C ATOM 1037 NE ARG A 63 -25.233 3.276 4.594 1.00 2.00 N ATOM 1038 CZ ARG A 63 -26.345 2.857 3.994 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -26.279 2.259 2.812 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -27.523 3.040 4.575 1.00 3.10 N ATOM 0 H ARG A 63 -20.647 -0.477 3.672 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.778 1.696 4.130 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -22.975 0.641 5.915 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.557 2.343 5.942 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -22.851 1.440 3.196 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -24.272 1.007 4.125 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -23.200 3.763 4.559 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -23.907 3.448 2.987 1.00 1.42 H new ATOM 0 HE ARG A 63 -25.319 3.733 5.502 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -25.375 2.119 2.361 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -27.132 1.939 2.354 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -27.578 3.502 5.483 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -28.374 2.719 4.114 1.00 3.10 H new ATOM 1054 N GLU A 64 -18.936 0.981 6.075 1.00 0.60 N ATOM 1055 CA GLU A 64 -17.960 1.217 7.134 1.00 0.62 C ATOM 1056 C GLU A 64 -17.036 2.370 6.762 1.00 0.56 C ATOM 1057 O GLU A 64 -16.714 2.557 5.590 1.00 0.62 O ATOM 1058 CB GLU A 64 -17.139 -0.046 7.392 1.00 0.59 C ATOM 1059 CG GLU A 64 -17.861 -1.077 8.244 1.00 0.79 C ATOM 1060 CD GLU A 64 -16.932 -1.787 9.210 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -16.299 -1.100 10.038 1.00 1.85 O ATOM 1062 OE2 GLU A 64 -16.840 -3.030 9.139 1.00 2.43 O ATOM 0 H GLU A 64 -18.572 0.463 5.275 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.499 1.480 8.044 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -16.873 -0.498 6.436 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -16.207 0.231 7.884 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.657 -0.587 8.805 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -18.335 -1.813 7.594 1.00 0.79 H new ATOM 1069 N THR A 65 -16.614 3.143 7.758 1.00 0.68 N ATOM 1070 CA THR A 65 -15.730 4.277 7.512 1.00 0.64 C ATOM 1071 C THR A 65 -14.512 4.244 8.431 1.00 0.63 C ATOM 1072 O THR A 65 -14.640 4.194 9.655 1.00 0.69 O ATOM 1073 CB THR A 65 -16.467 5.614 7.702 1.00 0.77 C ATOM 1074 OG1 THR A 65 -17.477 5.481 8.710 1.00 0.91 O ATOM 1075 CG2 THR A 65 -17.107 6.067 6.396 1.00 0.67 C ATOM 0 H THR A 65 -16.868 3.006 8.736 1.00 0.68 H new ATOM 0 HA THR A 65 -15.398 4.196 6.477 1.00 0.64 H new ATOM 0 HB THR A 65 -15.739 6.363 8.015 1.00 0.77 H new ATOM 0 HG1 THR A 65 -17.939 6.337 8.825 1.00 0.91 H new ATOM 0 HG21 THR A 65 -17.623 7.014 6.553 1.00 0.67 H new ATOM 0 HG22 THR A 65 -16.335 6.196 5.638 1.00 0.67 H new ATOM 0 HG23 THR A 65 -17.822 5.316 6.061 1.00 0.67 H new ATOM 1083 N SER A 66 -13.330 4.285 7.822 1.00 0.55 N ATOM 1084 CA SER A 66 -12.076 4.277 8.568 1.00 0.55 C ATOM 1085 C SER A 66 -11.144 5.376 8.066 1.00 0.56 C ATOM 1086 O SER A 66 -11.071 5.638 6.866 1.00 0.56 O ATOM 1087 CB SER A 66 -11.393 2.913 8.445 1.00 0.48 C ATOM 1088 OG SER A 66 -12.325 1.908 8.092 1.00 1.09 O ATOM 0 H SER A 66 -13.215 4.324 6.809 1.00 0.55 H new ATOM 0 HA SER A 66 -12.301 4.466 9.618 1.00 0.55 H new ATOM 0 HB2 SER A 66 -10.605 2.963 7.693 1.00 0.48 H new ATOM 0 HB3 SER A 66 -10.915 2.655 9.390 1.00 0.48 H new ATOM 0 HG SER A 66 -12.221 1.684 7.144 1.00 1.09 H new ATOM 1094 N TRP A 67 -10.428 6.013 8.989 1.00 0.63 N ATOM 1095 CA TRP A 67 -9.498 7.078 8.626 1.00 0.68 C ATOM 1096 C TRP A 67 -8.143 6.498 8.231 1.00 0.62 C ATOM 1097 O TRP A 67 -7.193 7.236 7.969 1.00 0.68 O ATOM 1098 CB TRP A 67 -9.329 8.061 9.786 1.00 0.77 C ATOM 1099 CG TRP A 67 -10.514 8.959 9.981 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -11.408 8.923 11.012 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -10.936 10.028 9.122 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -12.359 9.900 10.847 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -12.091 10.592 9.696 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -10.449 10.562 7.924 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -12.766 11.662 9.114 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -11.120 11.624 7.348 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -12.268 12.164 7.944 1.00 1.28 C ATOM 0 H TRP A 67 -10.473 5.812 9.988 1.00 0.63 H new ATOM 0 HA TRP A 67 -9.911 7.612 7.770 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -9.151 7.501 10.704 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -8.444 8.672 9.609 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -11.373 8.227 11.837 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -13.139 10.081 11.479 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -9.565 10.152 7.458 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -13.651 12.080 9.570 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -10.754 12.045 6.423 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -12.770 12.994 7.469 1.00 1.28 H new ATOM 1118 N THR A 68 -8.065 5.171 8.189 1.00 0.54 N ATOM 1119 CA THR A 68 -6.830 4.485 7.823 1.00 0.50 C ATOM 1120 C THR A 68 -7.114 3.055 7.370 1.00 0.45 C ATOM 1121 O THR A 68 -8.034 2.409 7.873 1.00 0.44 O ATOM 1122 CB THR A 68 -5.834 4.450 8.996 1.00 0.50 C ATOM 1123 OG1 THR A 68 -6.492 4.821 10.212 1.00 1.17 O ATOM 1124 CG2 THR A 68 -4.666 5.392 8.739 1.00 1.42 C ATOM 0 H THR A 68 -8.844 4.549 8.404 1.00 0.54 H new ATOM 0 HA THR A 68 -6.388 5.047 7.000 1.00 0.50 H new ATOM 0 HB THR A 68 -5.451 3.434 9.088 1.00 0.50 H new ATOM 0 HG1 THR A 68 -5.851 4.794 10.952 1.00 1.17 H new ATOM 0 HG21 THR A 68 -3.974 5.352 9.580 1.00 1.42 H new ATOM 0 HG22 THR A 68 -4.148 5.090 7.829 1.00 1.42 H new ATOM 0 HG23 THR A 68 -5.038 6.410 8.624 1.00 1.42 H new ATOM 1132 N ILE A 69 -6.322 2.570 6.418 1.00 0.43 N ATOM 1133 CA ILE A 69 -6.492 1.215 5.901 1.00 0.39 C ATOM 1134 C ILE A 69 -6.407 0.187 7.029 1.00 0.35 C ATOM 1135 O ILE A 69 -5.363 0.037 7.664 1.00 0.35 O ATOM 1136 CB ILE A 69 -5.437 0.887 4.819 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -5.791 1.585 3.503 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -5.333 -0.619 4.605 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -4.642 1.648 2.519 1.00 0.62 C ATOM 0 H ILE A 69 -5.558 3.093 5.990 1.00 0.43 H new ATOM 0 HA ILE A 69 -7.481 1.165 5.447 1.00 0.39 H new ATOM 0 HB ILE A 69 -4.469 1.253 5.163 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -6.627 1.063 3.038 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -6.129 2.599 3.719 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.585 -0.827 3.840 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -5.040 -1.100 5.538 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -6.299 -1.008 4.284 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -4.968 2.156 1.611 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -3.812 2.197 2.964 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -4.318 0.637 2.273 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.512 -0.534 7.297 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.560 -1.547 8.360 1.00 0.37 C ATOM 1153 C PRO A 70 -6.513 -2.640 8.168 1.00 0.38 C ATOM 1154 O PRO A 70 -6.012 -2.847 7.062 1.00 0.41 O ATOM 1155 CB PRO A 70 -8.970 -2.135 8.240 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.763 -1.095 7.527 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.803 -0.415 6.594 1.00 0.42 C ATOM 0 HA PRO A 70 -7.348 -1.114 9.338 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -8.960 -3.073 7.685 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.393 -2.350 9.221 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -10.591 -1.543 6.977 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -10.195 -0.383 8.230 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.777 -0.900 5.618 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -9.075 0.627 6.425 1.00 0.42 H new ATOM 1165 N ALA A 71 -6.192 -3.337 9.251 1.00 0.48 N ATOM 1166 CA ALA A 71 -5.208 -4.414 9.206 1.00 0.53 C ATOM 1167 C ALA A 71 -5.765 -5.630 8.477 1.00 0.50 C ATOM 1168 O ALA A 71 -6.774 -6.204 8.888 1.00 0.50 O ATOM 1169 CB ALA A 71 -4.775 -4.790 10.615 1.00 0.65 C ATOM 0 H ALA A 71 -6.599 -3.176 10.173 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.337 -4.059 8.654 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -4.041 -5.594 10.568 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -4.331 -3.922 11.103 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -5.642 -5.123 11.185 1.00 0.65 H new ATOM 1175 N PHE A 72 -5.101 -6.017 7.392 1.00 0.50 N ATOM 1176 CA PHE A 72 -5.530 -7.166 6.604 1.00 0.52 C ATOM 1177 C PHE A 72 -4.478 -8.269 6.633 1.00 0.61 C ATOM 1178 O PHE A 72 -3.525 -8.254 5.854 1.00 0.64 O ATOM 1179 CB PHE A 72 -5.809 -6.743 5.161 1.00 0.49 C ATOM 1180 CG PHE A 72 -6.772 -5.591 5.043 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -7.992 -5.625 5.698 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.454 -4.476 4.282 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -8.878 -4.571 5.595 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.338 -3.417 4.176 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.546 -3.462 4.819 1.00 0.34 C ATOM 0 H PHE A 72 -4.265 -5.552 7.039 1.00 0.50 H new ATOM 0 HA PHE A 72 -6.448 -7.557 7.043 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -4.868 -6.469 4.684 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -6.208 -7.596 4.612 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -8.253 -6.486 6.296 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.506 -4.434 3.766 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -9.825 -4.606 6.114 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.075 -2.553 3.585 1.00 0.38 H new ATOM 0 HZ PHE A 72 -9.240 -2.640 4.725 1.00 0.34 H new ATOM 1195 N GLU A 73 -4.658 -9.222 7.542 1.00 0.68 N ATOM 1196 CA GLU A 73 -3.726 -10.336 7.680 1.00 0.78 C ATOM 1197 C GLU A 73 -4.233 -11.570 6.941 1.00 0.93 C ATOM 1198 O GLU A 73 -5.331 -11.565 6.385 1.00 1.03 O ATOM 1199 CB GLU A 73 -3.509 -10.667 9.159 1.00 0.62 C ATOM 1200 CG GLU A 73 -3.372 -9.440 10.045 1.00 1.34 C ATOM 1201 CD GLU A 73 -4.588 -9.219 10.925 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -4.803 -10.027 11.852 1.00 2.81 O ATOM 1203 OE2 GLU A 73 -5.324 -8.239 10.686 1.00 2.45 O ATOM 0 H GLU A 73 -5.441 -9.245 8.195 1.00 0.68 H new ATOM 0 HA GLU A 73 -2.776 -10.036 7.237 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -4.345 -11.269 9.514 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -2.612 -11.278 9.258 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -2.488 -9.547 10.673 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -3.215 -8.561 9.420 1.00 1.34 H new