USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 CYS N :NH3+ 155:sc= 0.316 (180deg=0.112) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 2 SER OG : rot -27:sc= 0.109 USER MOD Single : A 3 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -0.272 (180deg=-1.13!) USER MOD Single : A 10 HIS : no HD1:sc= 0.903 K(o=0.9,f=-5.3!) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc=-0.00209 (180deg=-0.105) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00374 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -75:sc= -0.419 USER MOD Single : A 31 GLN : amide:sc= -0.43 K(o=-0.43,f=-4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000805 USER MOD Single : A 38 THR OG1 : rot 89:sc= 0.699 USER MOD Single : A 41 ASN : amide:sc= -1.57! C(o=-1.6!,f=-6.5!) USER MOD Single : A 46 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-7.1!) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.87 (180deg=-1.48) USER MOD Single : A 52 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.8) USER MOD Single : A 56 ASN : amide:sc= -0.0319 K(o=-0.032,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -110:sc= -0.226 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.261 15.647 3.435 1.00 0.00 N ATOM 2 CA CYS A 1 2.612 15.247 2.946 1.00 0.00 C ATOM 3 C CYS A 1 3.548 15.043 4.143 1.00 0.00 C ATOM 4 O CYS A 1 3.457 15.735 5.136 1.00 0.00 O ATOM 5 CB CYS A 1 3.170 16.346 2.037 1.00 0.00 C ATOM 6 SG CYS A 1 2.075 16.564 0.612 1.00 0.00 S ATOM 0 H1 CYS A 1 0.766 16.180 2.691 1.00 0.00 H new ATOM 0 H2 CYS A 1 0.713 14.796 3.674 1.00 0.00 H new ATOM 0 H3 CYS A 1 1.361 16.244 4.281 1.00 0.00 H new ATOM 0 HA CYS A 1 2.537 14.316 2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.256 17.281 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 1 4.173 16.081 1.702 1.00 0.00 H new ATOM 0 HG CYS A 1 2.547 17.498 -0.159 1.00 0.00 H new ATOM 14 N SER A 2 4.442 14.092 4.058 1.00 0.00 N ATOM 15 CA SER A 2 5.377 13.843 5.197 1.00 0.00 C ATOM 16 C SER A 2 6.653 13.177 4.680 1.00 0.00 C ATOM 17 O SER A 2 6.673 11.997 4.391 1.00 0.00 O ATOM 18 CB SER A 2 4.703 12.921 6.216 1.00 0.00 C ATOM 19 OG SER A 2 3.406 13.420 6.511 1.00 0.00 O ATOM 0 H SER A 2 4.565 13.479 3.252 1.00 0.00 H new ATOM 0 HA SER A 2 5.629 14.792 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.634 11.908 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.300 12.866 7.126 1.00 0.00 H new ATOM 0 HG SER A 2 3.388 14.389 6.366 1.00 0.00 H new ATOM 25 N ASN A 3 7.718 13.925 4.570 1.00 0.00 N ATOM 26 CA ASN A 3 9.000 13.341 4.079 1.00 0.00 C ATOM 27 C ASN A 3 8.809 12.796 2.659 1.00 0.00 C ATOM 28 O ASN A 3 7.807 12.188 2.346 1.00 0.00 O ATOM 29 CB ASN A 3 9.432 12.207 5.017 1.00 0.00 C ATOM 30 CG ASN A 3 10.932 11.944 4.856 1.00 0.00 C ATOM 31 OD1 ASN A 3 11.708 12.865 4.695 1.00 0.00 O ATOM 32 ND2 ASN A 3 11.373 10.717 4.895 1.00 0.00 N ATOM 0 H ASN A 3 7.756 14.918 4.800 1.00 0.00 H new ATOM 0 HA ASN A 3 9.770 14.112 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.209 12.472 6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.868 11.302 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.370 10.530 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.721 9.945 5.030 1.00 0.00 H new ATOM 39 N GLU A 4 9.761 13.012 1.796 1.00 0.00 N ATOM 40 CA GLU A 4 9.623 12.503 0.401 1.00 0.00 C ATOM 41 C GLU A 4 9.868 10.989 0.367 1.00 0.00 C ATOM 42 O GLU A 4 10.177 10.382 1.372 1.00 0.00 O ATOM 43 CB GLU A 4 10.626 13.219 -0.515 1.00 0.00 C ATOM 44 CG GLU A 4 12.058 12.742 -0.233 1.00 0.00 C ATOM 45 CD GLU A 4 12.364 12.862 1.261 1.00 0.00 C ATOM 46 OE1 GLU A 4 12.615 13.968 1.706 1.00 0.00 O ATOM 47 OE2 GLU A 4 12.347 11.843 1.932 1.00 0.00 O ATOM 0 H GLU A 4 10.625 13.516 1.993 1.00 0.00 H new ATOM 0 HA GLU A 4 8.612 12.703 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.373 13.029 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.560 14.296 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.176 11.707 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.768 13.337 -0.807 1.00 0.00 H new ATOM 54 N LYS A 5 9.731 10.388 -0.789 1.00 0.00 N ATOM 55 CA LYS A 5 9.951 8.911 -0.928 1.00 0.00 C ATOM 56 C LYS A 5 11.153 8.466 -0.080 1.00 0.00 C ATOM 57 O LYS A 5 11.031 8.215 1.101 1.00 0.00 O ATOM 58 CB LYS A 5 10.216 8.581 -2.412 1.00 0.00 C ATOM 59 CG LYS A 5 10.946 9.763 -3.068 1.00 0.00 C ATOM 60 CD LYS A 5 11.507 9.357 -4.441 1.00 0.00 C ATOM 61 CE LYS A 5 10.400 9.416 -5.501 1.00 0.00 C ATOM 62 NZ LYS A 5 9.887 10.813 -5.606 1.00 0.00 N ATOM 0 H LYS A 5 9.473 10.862 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 5 9.064 8.382 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.817 7.676 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.276 8.387 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.260 10.603 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.757 10.100 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.324 10.022 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.920 8.349 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.787 9.086 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.589 8.738 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.587 11.000 -6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.076 10.934 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.640 11.480 -5.341 1.00 0.00 H new ATOM 76 N ALA A 6 12.306 8.358 -0.685 1.00 0.00 N ATOM 77 CA ALA A 6 13.526 7.929 0.064 1.00 0.00 C ATOM 78 C ALA A 6 13.440 6.440 0.419 1.00 0.00 C ATOM 79 O ALA A 6 14.445 5.794 0.642 1.00 0.00 O ATOM 80 CB ALA A 6 13.671 8.758 1.350 1.00 0.00 C ATOM 0 H ALA A 6 12.457 8.550 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 6 14.397 8.091 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.563 8.439 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.760 9.814 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.793 8.610 1.979 1.00 0.00 H new ATOM 86 N ARG A 7 12.253 5.888 0.487 1.00 0.00 N ATOM 87 CA ARG A 7 12.120 4.441 0.846 1.00 0.00 C ATOM 88 C ARG A 7 10.981 3.796 0.046 1.00 0.00 C ATOM 89 O ARG A 7 11.146 3.397 -1.091 1.00 0.00 O ATOM 90 CB ARG A 7 11.811 4.320 2.351 1.00 0.00 C ATOM 91 CG ARG A 7 13.104 4.457 3.162 1.00 0.00 C ATOM 92 CD ARG A 7 12.765 4.645 4.643 1.00 0.00 C ATOM 93 NE ARG A 7 11.973 5.894 4.827 1.00 0.00 N ATOM 94 CZ ARG A 7 11.316 6.088 5.938 1.00 0.00 C ATOM 95 NH1 ARG A 7 11.338 5.179 6.873 1.00 0.00 N ATOM 96 NH2 ARG A 7 10.635 7.189 6.109 1.00 0.00 N ATOM 0 H ARG A 7 11.374 6.374 0.310 1.00 0.00 H new ATOM 0 HA ARG A 7 13.053 3.930 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.101 5.092 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.342 3.358 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.723 3.570 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.683 5.307 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.199 3.788 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.681 4.695 5.231 1.00 0.00 H new ATOM 0 HE ARG A 7 11.944 6.595 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.868 4.318 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.825 5.329 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.617 7.897 5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.121 7.341 6.977 1.00 0.00 H new ATOM 110 N ASP A 8 9.839 3.664 0.656 1.00 0.00 N ATOM 111 CA ASP A 8 8.680 3.016 -0.022 1.00 0.00 C ATOM 112 C ASP A 8 8.100 3.910 -1.121 1.00 0.00 C ATOM 113 O ASP A 8 8.561 5.006 -1.368 1.00 0.00 O ATOM 114 CB ASP A 8 7.599 2.741 1.024 1.00 0.00 C ATOM 115 CG ASP A 8 8.264 2.252 2.313 1.00 0.00 C ATOM 116 OD1 ASP A 8 9.410 1.838 2.245 1.00 0.00 O ATOM 117 OD2 ASP A 8 7.615 2.298 3.345 1.00 0.00 O ATOM 0 H ASP A 8 9.655 3.981 1.608 1.00 0.00 H new ATOM 0 HA ASP A 8 9.020 2.090 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.024 3.646 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.899 1.992 0.654 1.00 0.00 H new ATOM 122 N TRP A 9 7.061 3.436 -1.753 1.00 0.00 N ATOM 123 CA TRP A 9 6.386 4.208 -2.835 1.00 0.00 C ATOM 124 C TRP A 9 5.748 5.457 -2.215 1.00 0.00 C ATOM 125 O TRP A 9 4.825 5.355 -1.431 1.00 0.00 O ATOM 126 CB TRP A 9 5.281 3.321 -3.429 1.00 0.00 C ATOM 127 CG TRP A 9 5.869 2.268 -4.324 1.00 0.00 C ATOM 128 CD1 TRP A 9 6.905 1.452 -4.005 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.415 1.846 -5.644 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.157 0.605 -5.073 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.256 0.795 -6.101 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.373 2.284 -6.492 1.00 0.00 C ATOM 133 CZ2 TRP A 9 6.064 0.194 -7.355 1.00 0.00 C ATOM 134 CZ3 TRP A 9 4.175 1.682 -7.752 1.00 0.00 C ATOM 135 CH2 TRP A 9 5.019 0.639 -8.182 1.00 0.00 C ATOM 0 H TRP A 9 6.643 2.526 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 9 7.096 4.500 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.716 2.848 -2.626 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.579 3.935 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.446 1.461 -3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.916 -0.076 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.723 3.086 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.714 -0.604 -7.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.373 2.022 -8.390 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.863 0.181 -9.148 1.00 0.00 H new ATOM 146 N HIS A 10 6.225 6.631 -2.563 1.00 0.00 N ATOM 147 CA HIS A 10 5.647 7.895 -1.998 1.00 0.00 C ATOM 148 C HIS A 10 4.124 7.770 -1.876 1.00 0.00 C ATOM 149 O HIS A 10 3.489 7.084 -2.651 1.00 0.00 O ATOM 150 CB HIS A 10 5.979 9.068 -2.923 1.00 0.00 C ATOM 151 CG HIS A 10 5.594 10.359 -2.255 1.00 0.00 C ATOM 152 ND1 HIS A 10 4.357 10.951 -2.452 1.00 0.00 N ATOM 153 CD2 HIS A 10 6.270 11.182 -1.389 1.00 0.00 C ATOM 154 CE1 HIS A 10 4.326 12.079 -1.721 1.00 0.00 C ATOM 155 NE2 HIS A 10 5.468 12.269 -1.055 1.00 0.00 N ATOM 0 H HIS A 10 6.995 6.768 -3.218 1.00 0.00 H new ATOM 0 HA HIS A 10 6.076 8.067 -1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.044 9.071 -3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.446 8.962 -3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.272 11.012 -1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.481 12.750 -1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.702 13.044 -0.435 1.00 0.00 H new ATOM 163 N ARG A 11 3.536 8.416 -0.904 1.00 0.00 N ATOM 164 CA ARG A 11 2.054 8.321 -0.727 1.00 0.00 C ATOM 165 C ARG A 11 1.363 8.500 -2.083 1.00 0.00 C ATOM 166 O ARG A 11 0.307 7.951 -2.330 1.00 0.00 O ATOM 167 CB ARG A 11 1.575 9.411 0.245 1.00 0.00 C ATOM 168 CG ARG A 11 2.643 9.659 1.309 1.00 0.00 C ATOM 169 CD ARG A 11 2.040 10.483 2.450 1.00 0.00 C ATOM 170 NE ARG A 11 1.179 9.606 3.291 1.00 0.00 N ATOM 171 CZ ARG A 11 0.802 10.003 4.475 1.00 0.00 C ATOM 172 NH1 ARG A 11 1.170 11.174 4.919 1.00 0.00 N ATOM 173 NH2 ARG A 11 0.050 9.233 5.213 1.00 0.00 N ATOM 0 H ARG A 11 4.016 9.006 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 11 1.803 7.342 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.370 10.333 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.641 9.105 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.020 8.710 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.491 10.187 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.833 10.921 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.454 11.309 2.047 1.00 0.00 H new ATOM 0 HE ARG A 11 0.884 8.694 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.753 11.779 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.875 11.484 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.243 8.320 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.245 9.544 6.139 1.00 0.00 H new ATOM 187 N ALA A 12 1.954 9.264 -2.958 1.00 0.00 N ATOM 188 CA ALA A 12 1.341 9.486 -4.298 1.00 0.00 C ATOM 189 C ALA A 12 1.741 8.352 -5.240 1.00 0.00 C ATOM 190 O ALA A 12 1.019 8.012 -6.147 1.00 0.00 O ATOM 191 CB ALA A 12 1.835 10.814 -4.866 1.00 0.00 C ATOM 0 H ALA A 12 2.839 9.747 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 12 0.256 9.509 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.388 10.979 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.550 11.625 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.920 10.787 -4.962 1.00 0.00 H new ATOM 197 N ASP A 13 2.882 7.757 -5.038 1.00 0.00 N ATOM 198 CA ASP A 13 3.297 6.645 -5.941 1.00 0.00 C ATOM 199 C ASP A 13 2.351 5.468 -5.723 1.00 0.00 C ATOM 200 O ASP A 13 2.101 4.680 -6.615 1.00 0.00 O ATOM 201 CB ASP A 13 4.731 6.223 -5.609 1.00 0.00 C ATOM 202 CG ASP A 13 5.717 7.230 -6.206 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.304 8.343 -6.481 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.870 6.868 -6.377 1.00 0.00 O ATOM 0 H ASP A 13 3.541 7.988 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 13 3.256 6.970 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.863 6.167 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.928 5.227 -6.006 1.00 0.00 H new ATOM 209 N VAL A 14 1.812 5.353 -4.545 1.00 0.00 N ATOM 210 CA VAL A 14 0.874 4.235 -4.253 1.00 0.00 C ATOM 211 C VAL A 14 -0.482 4.527 -4.899 1.00 0.00 C ATOM 212 O VAL A 14 -0.990 3.748 -5.680 1.00 0.00 O ATOM 213 CB VAL A 14 0.696 4.121 -2.732 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.426 3.133 -2.402 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.005 3.646 -2.095 1.00 0.00 C ATOM 0 H VAL A 14 1.981 5.989 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 14 1.273 3.303 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 14 0.432 5.100 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.542 3.062 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.359 3.481 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.177 2.152 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.876 3.566 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.275 2.671 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.797 4.362 -2.314 1.00 0.00 H new ATOM 225 N ILE A 15 -1.077 5.634 -4.568 1.00 0.00 N ATOM 226 CA ILE A 15 -2.414 5.966 -5.138 1.00 0.00 C ATOM 227 C ILE A 15 -2.286 6.435 -6.592 1.00 0.00 C ATOM 228 O ILE A 15 -3.040 6.021 -7.444 1.00 0.00 O ATOM 229 CB ILE A 15 -3.064 7.061 -4.286 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.030 6.633 -2.811 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.521 7.260 -4.720 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.501 7.783 -1.919 1.00 0.00 C ATOM 0 H ILE A 15 -0.696 6.328 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.037 5.072 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.519 7.996 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.668 5.762 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.018 6.338 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.979 8.040 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.551 7.554 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.070 6.328 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.473 7.469 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.845 8.643 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.521 8.058 -2.188 1.00 0.00 H new ATOM 244 N ALA A 16 -1.357 7.299 -6.895 1.00 0.00 N ATOM 245 CA ALA A 16 -1.228 7.761 -8.309 1.00 0.00 C ATOM 246 C ALA A 16 -1.033 6.553 -9.229 1.00 0.00 C ATOM 247 O ALA A 16 -1.629 6.458 -10.281 1.00 0.00 O ATOM 248 CB ALA A 16 -0.037 8.709 -8.459 1.00 0.00 C ATOM 0 H ALA A 16 -0.690 7.701 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.139 8.293 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.040 9.035 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.180 9.577 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.878 8.191 -8.172 1.00 0.00 H new ATOM 254 N GLY A 17 -0.188 5.637 -8.842 1.00 0.00 N ATOM 255 CA GLY A 17 0.074 4.443 -9.694 1.00 0.00 C ATOM 256 C GLY A 17 -1.156 3.533 -9.743 1.00 0.00 C ATOM 257 O GLY A 17 -1.611 3.145 -10.799 1.00 0.00 O ATOM 0 H GLY A 17 0.335 5.665 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.338 4.761 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.927 3.889 -9.301 1.00 0.00 H new ATOM 261 N LEU A 18 -1.684 3.173 -8.613 1.00 0.00 N ATOM 262 CA LEU A 18 -2.875 2.275 -8.594 1.00 0.00 C ATOM 263 C LEU A 18 -4.081 2.987 -9.215 1.00 0.00 C ATOM 264 O LEU A 18 -4.804 2.429 -10.014 1.00 0.00 O ATOM 265 CB LEU A 18 -3.186 1.921 -7.131 1.00 0.00 C ATOM 266 CG LEU A 18 -2.255 0.794 -6.642 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.168 0.817 -5.115 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.816 -0.571 -7.067 1.00 0.00 C ATOM 0 H LEU A 18 -1.344 3.461 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.669 1.373 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.062 2.803 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.226 1.608 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.268 0.948 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.509 0.018 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.772 1.778 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.162 0.671 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.152 -1.362 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.806 -0.709 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.889 -0.612 -8.154 1.00 0.00 H new ATOM 280 N LYS A 19 -4.311 4.205 -8.830 1.00 0.00 N ATOM 281 CA LYS A 19 -5.480 4.963 -9.361 1.00 0.00 C ATOM 282 C LYS A 19 -5.378 5.158 -10.879 1.00 0.00 C ATOM 283 O LYS A 19 -6.367 5.410 -11.539 1.00 0.00 O ATOM 284 CB LYS A 19 -5.536 6.328 -8.678 1.00 0.00 C ATOM 285 CG LYS A 19 -6.858 7.020 -9.027 1.00 0.00 C ATOM 286 CD LYS A 19 -6.989 8.342 -8.248 1.00 0.00 C ATOM 287 CE LYS A 19 -6.283 9.476 -9.005 1.00 0.00 C ATOM 288 NZ LYS A 19 -7.133 9.914 -10.148 1.00 0.00 N ATOM 0 H LYS A 19 -3.735 4.718 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.386 4.393 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.449 6.210 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.695 6.943 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.903 7.215 -10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.695 6.364 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.042 8.588 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.554 8.232 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.097 10.315 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.313 9.137 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.802 10.838 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.069 9.215 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.121 9.995 -9.835 1.00 0.00 H new ATOM 302 N LYS A 20 -4.210 5.056 -11.447 1.00 0.00 N ATOM 303 CA LYS A 20 -4.102 5.256 -12.923 1.00 0.00 C ATOM 304 C LYS A 20 -5.074 4.310 -13.603 1.00 0.00 C ATOM 305 O LYS A 20 -5.541 4.551 -14.699 1.00 0.00 O ATOM 306 CB LYS A 20 -2.659 4.991 -13.404 1.00 0.00 C ATOM 307 CG LYS A 20 -1.822 6.289 -13.343 1.00 0.00 C ATOM 308 CD LYS A 20 -1.982 7.085 -14.644 1.00 0.00 C ATOM 309 CE LYS A 20 -1.073 8.314 -14.603 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.303 9.146 -15.817 1.00 0.00 N ATOM 0 H LYS A 20 -3.336 4.846 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.348 6.287 -13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.197 4.224 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.674 4.608 -14.424 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.140 6.896 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.771 6.046 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.728 6.459 -15.500 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.020 7.391 -14.770 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.275 8.899 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.029 8.005 -14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.684 9.981 -15.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.089 8.586 -16.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.297 9.452 -15.845 1.00 0.00 H new ATOM 324 N ARG A 21 -5.416 3.254 -12.937 1.00 0.00 N ATOM 325 CA ARG A 21 -6.395 2.302 -13.496 1.00 0.00 C ATOM 326 C ARG A 21 -7.741 2.697 -12.913 1.00 0.00 C ATOM 327 O ARG A 21 -8.355 3.652 -13.340 1.00 0.00 O ATOM 328 CB ARG A 21 -6.032 0.887 -13.049 1.00 0.00 C ATOM 329 CG ARG A 21 -4.671 0.493 -13.638 1.00 0.00 C ATOM 330 CD ARG A 21 -4.202 -0.865 -13.056 1.00 0.00 C ATOM 331 NE ARG A 21 -3.779 -1.790 -14.163 1.00 0.00 N ATOM 332 CZ ARG A 21 -4.573 -2.077 -15.161 1.00 0.00 C ATOM 333 NH1 ARG A 21 -5.802 -1.639 -15.175 1.00 0.00 N ATOM 334 NH2 ARG A 21 -4.142 -2.832 -16.134 1.00 0.00 N ATOM 0 H ARG A 21 -5.053 3.008 -12.016 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.411 2.324 -14.586 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.997 0.837 -11.961 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.798 0.184 -13.376 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.744 0.425 -14.723 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.934 1.265 -13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.371 -0.706 -12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.009 -1.320 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.848 -2.205 -14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.149 -1.069 -14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.416 -1.867 -15.957 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.189 -3.196 -16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.758 -3.059 -16.915 1.00 0.00 H new ATOM 348 N LYS A 22 -8.184 2.003 -11.911 1.00 0.00 N ATOM 349 CA LYS A 22 -9.466 2.378 -11.258 1.00 0.00 C ATOM 350 C LYS A 22 -9.448 1.866 -9.815 1.00 0.00 C ATOM 351 O LYS A 22 -10.266 1.055 -9.426 1.00 0.00 O ATOM 352 CB LYS A 22 -10.670 1.798 -12.037 1.00 0.00 C ATOM 353 CG LYS A 22 -10.265 0.511 -12.770 1.00 0.00 C ATOM 354 CD LYS A 22 -9.798 -0.547 -11.763 1.00 0.00 C ATOM 355 CE LYS A 22 -9.570 -1.879 -12.488 1.00 0.00 C ATOM 356 NZ LYS A 22 -9.393 -2.971 -11.485 1.00 0.00 N ATOM 0 H LYS A 22 -7.715 1.190 -11.513 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.574 3.463 -11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.490 1.590 -11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.035 2.533 -12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.109 0.130 -13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.467 0.724 -13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.877 -0.222 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.544 -0.671 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.417 -2.101 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.689 -1.811 -13.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.238 -3.874 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.571 -2.760 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.246 -3.041 -10.894 1.00 0.00 H new ATOM 370 N LEU A 23 -8.509 2.325 -9.020 1.00 0.00 N ATOM 371 CA LEU A 23 -8.422 1.852 -7.600 1.00 0.00 C ATOM 372 C LEU A 23 -8.191 3.034 -6.654 1.00 0.00 C ATOM 373 O LEU A 23 -7.566 4.016 -7.001 1.00 0.00 O ATOM 374 CB LEU A 23 -7.233 0.901 -7.451 1.00 0.00 C ATOM 375 CG LEU A 23 -7.458 -0.397 -8.228 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.200 -1.261 -8.093 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.671 -1.159 -7.664 1.00 0.00 C ATOM 0 H LEU A 23 -7.800 3.006 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.357 1.351 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.327 1.389 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.077 0.674 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.654 -0.168 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.338 -2.193 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.344 -0.724 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.021 -1.481 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.817 -2.080 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.494 -1.400 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.562 -0.537 -7.748 1.00 0.00 H new ATOM 389 N SER A 24 -8.673 2.920 -5.446 1.00 0.00 N ATOM 390 CA SER A 24 -8.477 3.999 -4.435 1.00 0.00 C ATOM 391 C SER A 24 -8.445 3.361 -3.043 1.00 0.00 C ATOM 392 O SER A 24 -9.296 2.561 -2.709 1.00 0.00 O ATOM 393 CB SER A 24 -9.627 5.003 -4.515 1.00 0.00 C ATOM 394 OG SER A 24 -10.866 4.315 -4.393 1.00 0.00 O ATOM 0 H SER A 24 -9.201 2.114 -5.112 1.00 0.00 H new ATOM 0 HA SER A 24 -7.541 4.523 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.532 5.746 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.589 5.541 -5.462 1.00 0.00 H new ATOM 0 HG SER A 24 -11.604 4.958 -4.442 1.00 0.00 H new ATOM 400 N LEU A 25 -7.471 3.686 -2.227 1.00 0.00 N ATOM 401 CA LEU A 25 -7.413 3.070 -0.865 1.00 0.00 C ATOM 402 C LEU A 25 -8.798 3.127 -0.210 1.00 0.00 C ATOM 403 O LEU A 25 -9.089 2.385 0.706 1.00 0.00 O ATOM 404 CB LEU A 25 -6.415 3.830 0.018 1.00 0.00 C ATOM 405 CG LEU A 25 -4.982 3.684 -0.538 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.134 4.886 -0.107 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.332 2.403 0.005 1.00 0.00 C ATOM 0 H LEU A 25 -6.722 4.344 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.093 2.033 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.689 4.884 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.457 3.447 1.038 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.035 3.635 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.124 4.779 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.579 5.803 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.095 4.933 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.322 2.310 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.290 2.450 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.922 1.539 -0.299 1.00 0.00 H new ATOM 419 N SER A 26 -9.652 4.002 -0.669 1.00 0.00 N ATOM 420 CA SER A 26 -11.012 4.095 -0.066 1.00 0.00 C ATOM 421 C SER A 26 -11.879 2.949 -0.587 1.00 0.00 C ATOM 422 O SER A 26 -12.718 2.424 0.118 1.00 0.00 O ATOM 423 CB SER A 26 -11.649 5.433 -0.444 1.00 0.00 C ATOM 424 OG SER A 26 -13.048 5.376 -0.193 1.00 0.00 O ATOM 0 H SER A 26 -9.468 4.653 -1.432 1.00 0.00 H new ATOM 0 HA SER A 26 -10.934 4.026 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.197 6.240 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.465 5.652 -1.496 1.00 0.00 H new ATOM 0 HG SER A 26 -13.459 6.233 -0.433 1.00 0.00 H new ATOM 430 N ALA A 27 -11.687 2.557 -1.816 1.00 0.00 N ATOM 431 CA ALA A 27 -12.500 1.443 -2.374 1.00 0.00 C ATOM 432 C ALA A 27 -12.055 0.122 -1.744 1.00 0.00 C ATOM 433 O ALA A 27 -12.863 -0.697 -1.357 1.00 0.00 O ATOM 434 CB ALA A 27 -12.299 1.378 -3.890 1.00 0.00 C ATOM 0 H ALA A 27 -11.003 2.960 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.554 1.614 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.894 0.562 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.614 2.320 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.245 1.206 -4.110 1.00 0.00 H new ATOM 440 N LEU A 28 -10.777 -0.095 -1.626 1.00 0.00 N ATOM 441 CA LEU A 28 -10.302 -1.370 -1.016 1.00 0.00 C ATOM 442 C LEU A 28 -10.782 -1.441 0.439 1.00 0.00 C ATOM 443 O LEU A 28 -11.091 -2.501 0.947 1.00 0.00 O ATOM 444 CB LEU A 28 -8.750 -1.457 -1.052 1.00 0.00 C ATOM 445 CG LEU A 28 -8.159 -0.540 -2.133 1.00 0.00 C ATOM 446 CD1 LEU A 28 -6.633 -0.609 -2.066 1.00 0.00 C ATOM 447 CD2 LEU A 28 -8.614 -0.997 -3.521 1.00 0.00 C ATOM 0 H LEU A 28 -10.044 0.549 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.708 -2.204 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.346 -1.180 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.447 -2.487 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.502 0.480 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.206 0.040 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.297 -0.281 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.307 -1.635 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.188 -0.339 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.276 -2.018 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.702 -0.960 -3.578 1.00 0.00 H new ATOM 459 N SER A 29 -10.836 -0.324 1.112 1.00 0.00 N ATOM 460 CA SER A 29 -11.274 -0.329 2.538 1.00 0.00 C ATOM 461 C SER A 29 -12.768 -0.664 2.643 1.00 0.00 C ATOM 462 O SER A 29 -13.158 -1.567 3.357 1.00 0.00 O ATOM 463 CB SER A 29 -11.009 1.051 3.150 1.00 0.00 C ATOM 464 OG SER A 29 -12.174 1.859 3.026 1.00 0.00 O ATOM 0 H SER A 29 -10.596 0.593 0.736 1.00 0.00 H new ATOM 0 HA SER A 29 -10.712 -1.089 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.735 0.948 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.168 1.528 2.647 1.00 0.00 H new ATOM 0 HG SER A 29 -12.266 2.161 2.098 1.00 0.00 H new ATOM 470 N ARG A 30 -13.609 0.066 1.961 1.00 0.00 N ATOM 471 CA ARG A 30 -15.073 -0.211 2.046 1.00 0.00 C ATOM 472 C ARG A 30 -15.402 -1.547 1.375 1.00 0.00 C ATOM 473 O ARG A 30 -16.428 -2.143 1.640 1.00 0.00 O ATOM 474 CB ARG A 30 -15.856 0.927 1.364 1.00 0.00 C ATOM 475 CG ARG A 30 -15.493 1.017 -0.141 1.00 0.00 C ATOM 476 CD ARG A 30 -16.566 0.331 -1.002 1.00 0.00 C ATOM 477 NE ARG A 30 -17.776 1.199 -1.074 1.00 0.00 N ATOM 478 CZ ARG A 30 -18.670 0.992 -1.999 1.00 0.00 C ATOM 479 NH1 ARG A 30 -18.492 0.045 -2.877 1.00 0.00 N ATOM 480 NH2 ARG A 30 -19.737 1.737 -2.050 1.00 0.00 N ATOM 0 H ARG A 30 -13.347 0.840 1.350 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.361 -0.269 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.927 0.756 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.632 1.874 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.398 2.062 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.525 0.547 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.179 0.145 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.825 -0.638 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.904 1.954 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.653 -0.534 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.192 -0.117 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.872 2.482 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.437 1.576 -2.774 1.00 0.00 H new ATOM 494 N GLN A 31 -14.555 -2.026 0.507 1.00 0.00 N ATOM 495 CA GLN A 31 -14.854 -3.318 -0.169 1.00 0.00 C ATOM 496 C GLN A 31 -14.844 -4.450 0.867 1.00 0.00 C ATOM 497 O GLN A 31 -15.597 -5.399 0.762 1.00 0.00 O ATOM 498 CB GLN A 31 -13.799 -3.582 -1.261 1.00 0.00 C ATOM 499 CG GLN A 31 -14.254 -2.966 -2.592 1.00 0.00 C ATOM 500 CD GLN A 31 -13.119 -3.058 -3.616 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.106 -2.399 -3.480 1.00 0.00 O ATOM 502 NE2 GLN A 31 -13.249 -3.851 -4.644 1.00 0.00 N ATOM 0 H GLN A 31 -13.676 -1.583 0.238 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.839 -3.273 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.841 -3.156 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.648 -4.655 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.136 -3.488 -2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.540 -1.925 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.099 -4.404 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.501 -3.918 -5.334 1.00 0.00 H new ATOM 511 N PHE A 32 -14.002 -4.353 1.868 1.00 0.00 N ATOM 512 CA PHE A 32 -13.939 -5.423 2.921 1.00 0.00 C ATOM 513 C PHE A 32 -14.645 -4.930 4.187 1.00 0.00 C ATOM 514 O PHE A 32 -15.167 -5.709 4.959 1.00 0.00 O ATOM 515 CB PHE A 32 -12.471 -5.764 3.212 1.00 0.00 C ATOM 516 CG PHE A 32 -11.916 -6.548 2.043 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.569 -5.880 0.853 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.772 -7.949 2.130 1.00 0.00 C ATOM 519 CE1 PHE A 32 -11.080 -6.610 -0.249 1.00 0.00 C ATOM 520 CE2 PHE A 32 -11.278 -8.676 1.029 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.932 -8.007 -0.160 1.00 0.00 C ATOM 0 H PHE A 32 -13.353 -3.578 2.004 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.442 -6.324 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.894 -4.852 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.393 -6.347 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.678 -4.808 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.040 -8.464 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.819 -6.097 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.165 -9.748 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.553 -8.565 -1.003 1.00 0.00 H new ATOM 531 N GLY A 33 -14.697 -3.638 4.389 1.00 0.00 N ATOM 532 CA GLY A 33 -15.408 -3.082 5.583 1.00 0.00 C ATOM 533 C GLY A 33 -14.459 -2.894 6.770 1.00 0.00 C ATOM 534 O GLY A 33 -14.875 -2.956 7.910 1.00 0.00 O ATOM 0 H GLY A 33 -14.276 -2.940 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.861 -2.125 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.219 -3.752 5.868 1.00 0.00 H new ATOM 538 N TYR A 34 -13.195 -2.651 6.531 1.00 0.00 N ATOM 539 CA TYR A 34 -12.247 -2.451 7.681 1.00 0.00 C ATOM 540 C TYR A 34 -12.125 -0.955 7.993 1.00 0.00 C ATOM 541 O TYR A 34 -11.227 -0.533 8.694 1.00 0.00 O ATOM 542 CB TYR A 34 -10.861 -3.002 7.328 1.00 0.00 C ATOM 543 CG TYR A 34 -10.852 -4.515 7.439 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.132 -5.145 8.673 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.568 -5.300 6.304 1.00 0.00 C ATOM 546 CE1 TYR A 34 -11.126 -6.550 8.764 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.564 -6.704 6.398 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.844 -7.329 7.626 1.00 0.00 C ATOM 549 OH TYR A 34 -10.843 -8.706 7.714 1.00 0.00 O ATOM 0 H TYR A 34 -12.778 -2.582 5.603 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.635 -2.982 8.550 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.591 -2.703 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.112 -2.577 7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.351 -4.548 9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.353 -4.823 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.338 -7.030 9.708 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.346 -7.302 5.526 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.630 -9.090 6.838 1.00 0.00 H new ATOM 559 N ALA A 35 -13.019 -0.160 7.476 1.00 0.00 N ATOM 560 CA ALA A 35 -12.982 1.313 7.726 1.00 0.00 C ATOM 561 C ALA A 35 -11.893 1.953 6.836 1.00 0.00 C ATOM 562 O ALA A 35 -10.863 1.344 6.629 1.00 0.00 O ATOM 563 CB ALA A 35 -12.675 1.585 9.211 1.00 0.00 C ATOM 0 H ALA A 35 -13.787 -0.471 6.881 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.951 1.748 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.649 2.661 9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.450 1.135 9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.708 1.153 9.468 1.00 0.00 H new ATOM 569 N PRO A 36 -12.121 3.156 6.332 1.00 0.00 N ATOM 570 CA PRO A 36 -11.115 3.825 5.484 1.00 0.00 C ATOM 571 C PRO A 36 -9.843 4.082 6.309 1.00 0.00 C ATOM 572 O PRO A 36 -8.778 4.315 5.773 1.00 0.00 O ATOM 573 CB PRO A 36 -11.778 5.153 5.047 1.00 0.00 C ATOM 574 CG PRO A 36 -13.102 5.293 5.850 1.00 0.00 C ATOM 575 CD PRO A 36 -13.361 3.939 6.548 1.00 0.00 C ATOM 0 HA PRO A 36 -10.820 3.229 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.117 5.996 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.977 5.149 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.023 6.095 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.929 5.548 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.563 4.074 7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.227 3.433 6.121 1.00 0.00 H new ATOM 583 N THR A 37 -9.956 4.046 7.610 1.00 0.00 N ATOM 584 CA THR A 37 -8.762 4.294 8.464 1.00 0.00 C ATOM 585 C THR A 37 -7.824 3.087 8.422 1.00 0.00 C ATOM 586 O THR A 37 -6.619 3.232 8.478 1.00 0.00 O ATOM 587 CB THR A 37 -9.206 4.546 9.909 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.706 3.340 10.469 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.299 5.613 9.926 1.00 0.00 C ATOM 0 H THR A 37 -10.821 3.856 8.116 1.00 0.00 H new ATOM 0 HA THR A 37 -8.233 5.169 8.086 1.00 0.00 H new ATOM 0 HB THR A 37 -8.355 4.890 10.497 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.988 3.501 11.394 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.616 5.793 10.953 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.911 6.538 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.151 5.271 9.338 1.00 0.00 H new ATOM 597 N THR A 38 -8.352 1.896 8.329 1.00 0.00 N ATOM 598 CA THR A 38 -7.461 0.698 8.293 1.00 0.00 C ATOM 599 C THR A 38 -6.463 0.811 7.130 1.00 0.00 C ATOM 600 O THR A 38 -5.265 0.864 7.331 1.00 0.00 O ATOM 601 CB THR A 38 -8.308 -0.575 8.121 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.986 -0.848 9.339 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.410 -1.775 7.755 1.00 0.00 C ATOM 0 H THR A 38 -9.352 1.700 8.277 1.00 0.00 H new ATOM 0 HA THR A 38 -6.908 0.644 9.231 1.00 0.00 H new ATOM 0 HB THR A 38 -9.027 -0.418 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.850 -0.386 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.025 -2.667 7.637 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.889 -1.568 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.681 -1.939 8.549 1.00 0.00 H new ATOM 611 N LEU A 39 -6.948 0.815 5.919 1.00 0.00 N ATOM 612 CA LEU A 39 -6.035 0.891 4.743 1.00 0.00 C ATOM 613 C LEU A 39 -5.040 2.045 4.937 1.00 0.00 C ATOM 614 O LEU A 39 -3.847 1.881 4.767 1.00 0.00 O ATOM 615 CB LEU A 39 -6.886 1.100 3.460 1.00 0.00 C ATOM 616 CG LEU A 39 -6.795 -0.108 2.500 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.322 -0.439 2.152 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.479 -1.327 3.139 1.00 0.00 C ATOM 0 H LEU A 39 -7.941 0.769 5.692 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.467 -0.034 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.927 1.264 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.549 1.999 2.944 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.306 0.149 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.291 -1.293 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.859 0.423 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.778 -0.680 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.414 -2.178 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.982 -1.572 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.527 -1.097 3.332 1.00 0.00 H new ATOM 630 N ALA A 40 -5.511 3.208 5.280 1.00 0.00 N ATOM 631 CA ALA A 40 -4.576 4.350 5.475 1.00 0.00 C ATOM 632 C ALA A 40 -3.495 3.961 6.490 1.00 0.00 C ATOM 633 O ALA A 40 -2.319 3.943 6.182 1.00 0.00 O ATOM 634 CB ALA A 40 -5.353 5.562 5.993 1.00 0.00 C ATOM 0 H ALA A 40 -6.497 3.418 5.433 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.105 4.600 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.669 6.399 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.119 5.839 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.825 5.313 6.943 1.00 0.00 H new ATOM 640 N ASN A 41 -3.885 3.657 7.699 1.00 0.00 N ATOM 641 CA ASN A 41 -2.888 3.278 8.748 1.00 0.00 C ATOM 642 C ASN A 41 -2.060 2.065 8.301 1.00 0.00 C ATOM 643 O ASN A 41 -1.047 1.749 8.896 1.00 0.00 O ATOM 644 CB ASN A 41 -3.621 2.920 10.046 1.00 0.00 C ATOM 645 CG ASN A 41 -4.640 4.008 10.384 1.00 0.00 C ATOM 646 OD1 ASN A 41 -4.800 4.959 9.645 1.00 0.00 O ATOM 647 ND2 ASN A 41 -5.338 3.908 11.483 1.00 0.00 N ATOM 0 H ASN A 41 -4.857 3.654 8.009 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.222 4.126 8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.124 1.959 9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.905 2.814 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.019 4.629 11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.202 3.109 12.102 1.00 0.00 H new ATOM 654 N ALA A 42 -2.484 1.370 7.284 1.00 0.00 N ATOM 655 CA ALA A 42 -1.718 0.172 6.834 1.00 0.00 C ATOM 656 C ALA A 42 -0.418 0.593 6.143 1.00 0.00 C ATOM 657 O ALA A 42 0.372 -0.239 5.741 1.00 0.00 O ATOM 658 CB ALA A 42 -2.568 -0.644 5.860 1.00 0.00 C ATOM 0 H ALA A 42 -3.325 1.577 6.745 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.473 -0.432 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.007 -1.519 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.483 -0.965 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.821 -0.030 4.995 1.00 0.00 H new ATOM 664 N LEU A 43 -0.189 1.867 5.992 1.00 0.00 N ATOM 665 CA LEU A 43 1.063 2.321 5.319 1.00 0.00 C ATOM 666 C LEU A 43 2.206 2.422 6.337 1.00 0.00 C ATOM 667 O LEU A 43 3.363 2.484 5.967 1.00 0.00 O ATOM 668 CB LEU A 43 0.831 3.695 4.677 1.00 0.00 C ATOM 669 CG LEU A 43 -0.370 3.632 3.722 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.733 5.050 3.272 1.00 0.00 C ATOM 671 CD2 LEU A 43 -0.021 2.782 2.489 1.00 0.00 C ATOM 0 H LEU A 43 -0.811 2.613 6.304 1.00 0.00 H new ATOM 0 HA LEU A 43 1.333 1.596 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.652 4.442 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.723 4.007 4.133 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.215 3.179 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.585 5.009 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.990 5.653 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.118 5.498 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.880 2.744 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.827 3.227 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.238 1.771 2.805 1.00 0.00 H new ATOM 683 N GLU A 44 1.899 2.456 7.617 1.00 0.00 N ATOM 684 CA GLU A 44 2.981 2.575 8.653 1.00 0.00 C ATOM 685 C GLU A 44 2.767 1.566 9.788 1.00 0.00 C ATOM 686 O GLU A 44 3.709 1.125 10.414 1.00 0.00 O ATOM 687 CB GLU A 44 2.969 3.997 9.228 1.00 0.00 C ATOM 688 CG GLU A 44 1.611 4.290 9.903 1.00 0.00 C ATOM 689 CD GLU A 44 1.676 3.965 11.403 1.00 0.00 C ATOM 690 OE1 GLU A 44 2.556 3.217 11.793 1.00 0.00 O ATOM 691 OE2 GLU A 44 0.845 4.477 12.136 1.00 0.00 O ATOM 0 H GLU A 44 0.950 2.407 7.987 1.00 0.00 H new ATOM 0 HA GLU A 44 3.941 2.365 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.775 4.110 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.151 4.720 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.347 5.338 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.828 3.698 9.430 1.00 0.00 H new ATOM 698 N ARG A 45 1.545 1.216 10.080 1.00 0.00 N ATOM 699 CA ARG A 45 1.303 0.253 11.193 1.00 0.00 C ATOM 700 C ARG A 45 1.682 -1.165 10.756 1.00 0.00 C ATOM 701 O ARG A 45 1.548 -1.531 9.607 1.00 0.00 O ATOM 702 CB ARG A 45 -0.175 0.286 11.589 1.00 0.00 C ATOM 703 CG ARG A 45 -0.494 1.604 12.298 1.00 0.00 C ATOM 704 CD ARG A 45 -1.876 1.504 12.947 1.00 0.00 C ATOM 705 NE ARG A 45 -2.780 0.712 12.067 1.00 0.00 N ATOM 706 CZ ARG A 45 -3.896 0.232 12.542 1.00 0.00 C ATOM 707 NH1 ARG A 45 -4.222 0.453 13.786 1.00 0.00 N ATOM 708 NH2 ARG A 45 -4.683 -0.471 11.775 1.00 0.00 N ATOM 0 H ARG A 45 0.709 1.551 9.601 1.00 0.00 H new ATOM 0 HA ARG A 45 1.917 0.539 12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.801 0.179 10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.404 -0.554 12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.262 1.816 13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.472 2.429 11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.797 1.031 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.288 2.500 13.107 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.526 0.545 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.605 1.000 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.094 0.078 14.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.426 -0.645 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.556 -0.846 12.147 1.00 0.00 H new ATOM 722 N HIS A 46 2.148 -1.968 11.678 1.00 0.00 N ATOM 723 CA HIS A 46 2.542 -3.368 11.336 1.00 0.00 C ATOM 724 C HIS A 46 1.296 -4.205 11.032 1.00 0.00 C ATOM 725 O HIS A 46 0.565 -4.598 11.919 1.00 0.00 O ATOM 726 CB HIS A 46 3.297 -3.990 12.515 1.00 0.00 C ATOM 727 CG HIS A 46 2.616 -3.622 13.805 1.00 0.00 C ATOM 728 ND1 HIS A 46 1.342 -3.078 13.844 1.00 0.00 N ATOM 729 CD2 HIS A 46 3.024 -3.714 15.111 1.00 0.00 C ATOM 730 CE1 HIS A 46 1.033 -2.864 15.136 1.00 0.00 C ATOM 731 NE2 HIS A 46 2.024 -3.234 15.951 1.00 0.00 N ATOM 0 H HIS A 46 2.273 -1.713 12.658 1.00 0.00 H new ATOM 0 HA HIS A 46 3.185 -3.351 10.456 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.330 -5.074 12.407 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.329 -3.639 12.524 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.978 -4.101 15.438 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.097 -2.444 15.473 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.044 -3.177 16.969 1.00 0.00 H new ATOM 739 N TRP A 47 1.064 -4.491 9.784 1.00 0.00 N ATOM 740 CA TRP A 47 -0.113 -5.313 9.403 1.00 0.00 C ATOM 741 C TRP A 47 0.040 -5.711 7.924 1.00 0.00 C ATOM 742 O TRP A 47 -0.641 -5.175 7.073 1.00 0.00 O ATOM 743 CB TRP A 47 -1.390 -4.492 9.605 1.00 0.00 C ATOM 744 CG TRP A 47 -2.574 -5.328 9.249 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.836 -6.560 9.746 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.657 -5.019 8.328 1.00 0.00 C ATOM 747 NE1 TRP A 47 -4.006 -7.029 9.183 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.552 -6.120 8.301 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.949 -3.899 7.516 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.695 -6.116 7.494 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.101 -3.891 6.702 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.971 -4.998 6.690 1.00 0.00 C ATOM 0 H TRP A 47 1.646 -4.187 9.004 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.176 -6.209 10.020 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.463 -4.160 10.641 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.363 -3.596 8.984 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.229 -7.089 10.465 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.417 -7.938 9.394 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.287 -3.046 7.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.360 -6.967 7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.317 -3.031 6.085 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.850 -4.987 6.063 1.00 0.00 H new ATOM 763 N PRO A 48 0.977 -6.605 7.653 1.00 0.00 N ATOM 764 CA PRO A 48 1.272 -7.053 6.271 1.00 0.00 C ATOM 765 C PRO A 48 0.026 -7.587 5.538 1.00 0.00 C ATOM 766 O PRO A 48 0.031 -7.712 4.329 1.00 0.00 O ATOM 767 CB PRO A 48 2.350 -8.151 6.434 1.00 0.00 C ATOM 768 CG PRO A 48 2.836 -8.103 7.911 1.00 0.00 C ATOM 769 CD PRO A 48 1.828 -7.236 8.696 1.00 0.00 C ATOM 0 HA PRO A 48 1.614 -6.223 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.939 -9.132 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.181 -7.979 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.889 -9.107 8.331 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.838 -7.679 7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.233 -7.842 9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.338 -6.484 9.299 1.00 0.00 H new ATOM 777 N LYS A 49 -1.039 -7.899 6.227 1.00 0.00 N ATOM 778 CA LYS A 49 -2.242 -8.414 5.502 1.00 0.00 C ATOM 779 C LYS A 49 -2.903 -7.246 4.750 1.00 0.00 C ATOM 780 O LYS A 49 -3.668 -7.438 3.824 1.00 0.00 O ATOM 781 CB LYS A 49 -3.217 -9.051 6.510 1.00 0.00 C ATOM 782 CG LYS A 49 -4.598 -9.320 5.874 1.00 0.00 C ATOM 783 CD LYS A 49 -4.485 -10.240 4.645 1.00 0.00 C ATOM 784 CE LYS A 49 -3.813 -11.564 5.022 1.00 0.00 C ATOM 785 NZ LYS A 49 -4.328 -12.031 6.342 1.00 0.00 N ATOM 0 H LYS A 49 -1.131 -7.823 7.240 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.955 -9.179 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.798 -9.987 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.334 -8.392 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.257 -9.777 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.055 -8.375 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.477 -10.433 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.909 -9.743 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.012 -12.315 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.732 -11.434 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.337 -13.071 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.712 -11.675 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.294 -11.673 6.484 1.00 0.00 H new ATOM 799 N GLY A 50 -2.593 -6.034 5.129 1.00 0.00 N ATOM 800 CA GLY A 50 -3.183 -4.855 4.424 1.00 0.00 C ATOM 801 C GLY A 50 -2.409 -4.619 3.127 1.00 0.00 C ATOM 802 O GLY A 50 -2.937 -4.116 2.155 1.00 0.00 O ATOM 0 H GLY A 50 -1.958 -5.808 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.236 -5.033 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.133 -3.971 5.060 1.00 0.00 H new ATOM 806 N GLU A 51 -1.156 -4.982 3.110 1.00 0.00 N ATOM 807 CA GLU A 51 -0.341 -4.789 1.879 1.00 0.00 C ATOM 808 C GLU A 51 -0.818 -5.786 0.820 1.00 0.00 C ATOM 809 O GLU A 51 -0.885 -5.479 -0.354 1.00 0.00 O ATOM 810 CB GLU A 51 1.143 -5.045 2.188 1.00 0.00 C ATOM 811 CG GLU A 51 1.553 -4.342 3.491 1.00 0.00 C ATOM 812 CD GLU A 51 1.568 -2.828 3.278 1.00 0.00 C ATOM 813 OE1 GLU A 51 0.516 -2.276 3.004 1.00 0.00 O ATOM 814 OE2 GLU A 51 2.632 -2.243 3.397 1.00 0.00 O ATOM 0 H GLU A 51 -0.662 -5.404 3.896 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.456 -3.767 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.322 -6.117 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.759 -4.684 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.857 -4.600 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.539 -4.684 3.805 1.00 0.00 H new ATOM 821 N GLN A 52 -1.155 -6.979 1.231 1.00 0.00 N ATOM 822 CA GLN A 52 -1.635 -7.997 0.258 1.00 0.00 C ATOM 823 C GLN A 52 -2.911 -7.488 -0.410 1.00 0.00 C ATOM 824 O GLN A 52 -3.107 -7.656 -1.592 1.00 0.00 O ATOM 825 CB GLN A 52 -1.932 -9.307 0.988 1.00 0.00 C ATOM 826 CG GLN A 52 -0.617 -9.950 1.428 1.00 0.00 C ATOM 827 CD GLN A 52 -0.895 -11.336 2.011 1.00 0.00 C ATOM 828 OE1 GLN A 52 -1.787 -11.500 2.819 1.00 0.00 O ATOM 829 NE2 GLN A 52 -0.165 -12.347 1.627 1.00 0.00 N ATOM 0 H GLN A 52 -1.118 -7.291 2.201 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.867 -8.171 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.565 -9.118 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.480 -9.985 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.062 -10.031 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.125 -9.323 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.584 -12.207 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.343 -13.277 2.005 1.00 0.00 H new ATOM 838 N ILE A 53 -3.779 -6.855 0.333 1.00 0.00 N ATOM 839 CA ILE A 53 -5.029 -6.339 -0.291 1.00 0.00 C ATOM 840 C ILE A 53 -4.658 -5.445 -1.477 1.00 0.00 C ATOM 841 O ILE A 53 -5.125 -5.633 -2.585 1.00 0.00 O ATOM 842 CB ILE A 53 -5.818 -5.516 0.734 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.288 -6.438 1.869 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.037 -4.877 0.059 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.845 -5.613 3.045 1.00 0.00 C ATOM 0 H ILE A 53 -3.678 -6.675 1.332 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.641 -7.175 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.179 -4.731 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.056 -7.117 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.457 -7.054 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.594 -4.293 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.705 -4.224 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.679 -5.658 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.172 -6.285 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.067 -4.953 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.691 -5.017 2.703 1.00 0.00 H new ATOM 857 N ILE A 54 -3.829 -4.464 -1.249 1.00 0.00 N ATOM 858 CA ILE A 54 -3.436 -3.538 -2.350 1.00 0.00 C ATOM 859 C ILE A 54 -2.661 -4.284 -3.444 1.00 0.00 C ATOM 860 O ILE A 54 -3.022 -4.248 -4.604 1.00 0.00 O ATOM 861 CB ILE A 54 -2.542 -2.435 -1.772 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.359 -1.589 -0.780 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.018 -1.552 -2.925 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.415 -0.865 0.195 1.00 0.00 C ATOM 0 H ILE A 54 -3.405 -4.263 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.338 -3.114 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.694 -2.875 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.964 -0.862 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.048 -2.227 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.381 -0.765 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.442 -2.164 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.860 -1.102 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.001 -0.268 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.829 -1.600 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.744 -0.213 -0.365 1.00 0.00 H new ATOM 876 N ALA A 55 -1.590 -4.939 -3.093 1.00 0.00 N ATOM 877 CA ALA A 55 -0.791 -5.659 -4.124 1.00 0.00 C ATOM 878 C ALA A 55 -1.677 -6.672 -4.843 1.00 0.00 C ATOM 879 O ALA A 55 -1.571 -6.872 -6.036 1.00 0.00 O ATOM 880 CB ALA A 55 0.368 -6.384 -3.445 1.00 0.00 C ATOM 0 H ALA A 55 -1.234 -5.007 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.401 -4.945 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.956 -6.913 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.001 -5.659 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.024 -7.099 -2.721 1.00 0.00 H new ATOM 886 N ASN A 56 -2.555 -7.308 -4.128 1.00 0.00 N ATOM 887 CA ASN A 56 -3.455 -8.305 -4.768 1.00 0.00 C ATOM 888 C ASN A 56 -4.198 -7.639 -5.928 1.00 0.00 C ATOM 889 O ASN A 56 -4.513 -8.263 -6.924 1.00 0.00 O ATOM 890 CB ASN A 56 -4.455 -8.824 -3.732 1.00 0.00 C ATOM 891 CG ASN A 56 -5.465 -9.746 -4.417 1.00 0.00 C ATOM 892 OD1 ASN A 56 -5.130 -10.438 -5.358 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.692 -9.794 -3.976 1.00 0.00 N ATOM 0 H ASN A 56 -2.690 -7.182 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.871 -9.143 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.931 -9.363 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.971 -7.989 -3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.370 -10.412 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.973 -9.213 -3.186 1.00 0.00 H new ATOM 900 N ALA A 57 -4.485 -6.373 -5.802 1.00 0.00 N ATOM 901 CA ALA A 57 -5.207 -5.656 -6.888 1.00 0.00 C ATOM 902 C ALA A 57 -4.341 -5.604 -8.157 1.00 0.00 C ATOM 903 O ALA A 57 -4.840 -5.717 -9.260 1.00 0.00 O ATOM 904 CB ALA A 57 -5.545 -4.237 -6.423 1.00 0.00 C ATOM 0 H ALA A 57 -4.249 -5.803 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.129 -6.189 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.074 -3.710 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.177 -4.286 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.625 -3.704 -6.184 1.00 0.00 H new ATOM 910 N LEU A 58 -3.048 -5.440 -8.015 1.00 0.00 N ATOM 911 CA LEU A 58 -2.160 -5.388 -9.218 1.00 0.00 C ATOM 912 C LEU A 58 -1.640 -6.791 -9.523 1.00 0.00 C ATOM 913 O LEU A 58 -0.720 -6.966 -10.298 1.00 0.00 O ATOM 914 CB LEU A 58 -0.957 -4.482 -8.932 1.00 0.00 C ATOM 915 CG LEU A 58 -1.378 -3.005 -8.920 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.297 -2.190 -8.204 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.530 -2.472 -10.356 1.00 0.00 C ATOM 0 H LEU A 58 -2.570 -5.340 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.728 -5.000 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.517 -4.747 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.189 -4.640 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.335 -2.915 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.584 -1.139 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.187 -2.551 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.651 -2.300 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.829 -1.424 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.579 -2.563 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.290 -3.051 -10.880 1.00 0.00 H new ATOM 929 N GLU A 59 -2.205 -7.792 -8.910 1.00 0.00 N ATOM 930 CA GLU A 59 -1.725 -9.177 -9.159 1.00 0.00 C ATOM 931 C GLU A 59 -0.212 -9.231 -8.931 1.00 0.00 C ATOM 932 O GLU A 59 0.471 -10.087 -9.464 1.00 0.00 O ATOM 933 CB GLU A 59 -2.032 -9.583 -10.603 1.00 0.00 C ATOM 934 CG GLU A 59 -3.524 -9.401 -10.894 1.00 0.00 C ATOM 935 CD GLU A 59 -3.808 -9.801 -12.343 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.067 -9.370 -13.214 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.762 -10.530 -12.562 1.00 0.00 O ATOM 0 H GLU A 59 -2.977 -7.711 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.230 -9.862 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.443 -8.978 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.746 -10.622 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.116 -10.012 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.815 -8.364 -10.727 1.00 0.00 H new ATOM 944 N THR A 60 0.321 -8.321 -8.141 1.00 0.00 N ATOM 945 CA THR A 60 1.799 -8.312 -7.874 1.00 0.00 C ATOM 946 C THR A 60 2.063 -8.720 -6.422 1.00 0.00 C ATOM 947 O THR A 60 1.165 -9.112 -5.702 1.00 0.00 O ATOM 948 CB THR A 60 2.367 -6.901 -8.135 1.00 0.00 C ATOM 949 OG1 THR A 60 3.777 -6.987 -8.279 1.00 0.00 O ATOM 950 CG2 THR A 60 2.033 -5.949 -6.977 1.00 0.00 C ATOM 0 H THR A 60 -0.205 -7.585 -7.670 1.00 0.00 H new ATOM 0 HA THR A 60 2.290 -9.022 -8.539 1.00 0.00 H new ATOM 0 HB THR A 60 1.915 -6.508 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.144 -6.094 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.445 -4.962 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.951 -5.875 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.466 -6.334 -6.053 1.00 0.00 H new ATOM 958 N LYS A 61 3.295 -8.630 -5.991 1.00 0.00 N ATOM 959 CA LYS A 61 3.642 -9.005 -4.587 1.00 0.00 C ATOM 960 C LYS A 61 3.814 -7.720 -3.759 1.00 0.00 C ATOM 961 O LYS A 61 4.229 -6.716 -4.298 1.00 0.00 O ATOM 962 CB LYS A 61 4.972 -9.761 -4.594 1.00 0.00 C ATOM 963 CG LYS A 61 4.836 -11.049 -5.412 1.00 0.00 C ATOM 964 CD LYS A 61 6.234 -11.605 -5.753 1.00 0.00 C ATOM 965 CE LYS A 61 6.739 -10.995 -7.065 1.00 0.00 C ATOM 966 NZ LYS A 61 8.150 -11.415 -7.300 1.00 0.00 N ATOM 0 H LYS A 61 4.082 -8.310 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 61 2.855 -9.627 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.755 -9.132 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.271 -9.998 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.268 -11.789 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.280 -10.851 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.931 -11.378 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.190 -12.691 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.110 -11.318 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.675 -9.908 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.492 -11.001 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.746 -11.086 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.198 -12.452 -7.360 1.00 0.00 H new ATOM 980 N PRO A 62 3.520 -7.767 -2.471 1.00 0.00 N ATOM 981 CA PRO A 62 3.686 -6.574 -1.619 1.00 0.00 C ATOM 982 C PRO A 62 5.163 -6.153 -1.613 1.00 0.00 C ATOM 983 O PRO A 62 5.489 -4.990 -1.486 1.00 0.00 O ATOM 984 CB PRO A 62 3.219 -7.020 -0.213 1.00 0.00 C ATOM 985 CG PRO A 62 2.941 -8.548 -0.280 1.00 0.00 C ATOM 986 CD PRO A 62 3.009 -8.965 -1.766 1.00 0.00 C ATOM 0 HA PRO A 62 3.114 -5.715 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.983 -6.801 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.320 -6.479 0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.676 -9.098 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.962 -8.779 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.671 -9.820 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.028 -9.256 -2.141 1.00 0.00 H new ATOM 994 N GLU A 63 6.054 -7.098 -1.741 1.00 0.00 N ATOM 995 CA GLU A 63 7.506 -6.765 -1.739 1.00 0.00 C ATOM 996 C GLU A 63 7.815 -5.783 -2.871 1.00 0.00 C ATOM 997 O GLU A 63 8.936 -5.346 -3.034 1.00 0.00 O ATOM 998 CB GLU A 63 8.320 -8.042 -1.956 1.00 0.00 C ATOM 999 CG GLU A 63 8.253 -8.919 -0.708 1.00 0.00 C ATOM 1000 CD GLU A 63 6.836 -9.473 -0.551 1.00 0.00 C ATOM 1001 OE1 GLU A 63 6.491 -10.379 -1.292 1.00 0.00 O ATOM 1002 OE2 GLU A 63 6.121 -8.984 0.307 1.00 0.00 O ATOM 0 H GLU A 63 5.838 -8.089 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 63 7.767 -6.314 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.933 -8.588 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.357 -7.789 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.969 -9.737 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.528 -8.339 0.173 1.00 0.00 H new ATOM 1009 N VAL A 64 6.835 -5.450 -3.667 1.00 0.00 N ATOM 1010 CA VAL A 64 7.072 -4.516 -4.811 1.00 0.00 C ATOM 1011 C VAL A 64 6.747 -3.078 -4.397 1.00 0.00 C ATOM 1012 O VAL A 64 7.406 -2.142 -4.804 1.00 0.00 O ATOM 1013 CB VAL A 64 6.161 -4.923 -5.974 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.299 -3.914 -7.118 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.557 -6.317 -6.470 1.00 0.00 C ATOM 0 H VAL A 64 5.876 -5.785 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 64 8.119 -4.569 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 64 5.126 -4.939 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.649 -4.208 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.013 -2.923 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.333 -3.892 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.909 -6.607 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.593 -6.302 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.451 -7.036 -5.658 1.00 0.00 H new ATOM 1025 N ILE A 65 5.730 -2.889 -3.601 1.00 0.00 N ATOM 1026 CA ILE A 65 5.356 -1.505 -3.179 1.00 0.00 C ATOM 1027 C ILE A 65 6.129 -1.109 -1.913 1.00 0.00 C ATOM 1028 O ILE A 65 6.225 0.056 -1.585 1.00 0.00 O ATOM 1029 CB ILE A 65 3.842 -1.457 -2.930 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.099 -1.667 -4.273 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.457 -0.102 -2.325 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.729 -2.317 -4.025 1.00 0.00 C ATOM 0 H ILE A 65 5.141 -3.631 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 65 5.615 -0.795 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 65 3.561 -2.246 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.970 -0.710 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.695 -2.298 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.381 -0.074 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.982 0.037 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.734 0.696 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.216 -2.459 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.867 -3.283 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.130 -1.670 -3.384 1.00 0.00 H new ATOM 1044 N TRP A 66 6.703 -2.062 -1.208 1.00 0.00 N ATOM 1045 CA TRP A 66 7.487 -1.724 0.034 1.00 0.00 C ATOM 1046 C TRP A 66 8.834 -2.476 0.051 1.00 0.00 C ATOM 1047 O TRP A 66 9.050 -3.309 0.908 1.00 0.00 O ATOM 1048 CB TRP A 66 6.663 -2.124 1.262 1.00 0.00 C ATOM 1049 CG TRP A 66 5.485 -1.215 1.364 1.00 0.00 C ATOM 1050 CD1 TRP A 66 5.505 0.022 1.913 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.124 -1.440 0.908 1.00 0.00 C ATOM 1052 NE1 TRP A 66 4.242 0.581 1.810 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.352 -0.280 1.199 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.484 -2.527 0.268 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 1.994 -0.201 0.863 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.117 -2.450 -0.073 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.374 -1.289 0.224 1.00 0.00 C ATOM 0 H TRP A 66 6.664 -3.055 -1.436 1.00 0.00 H new ATOM 0 HA TRP A 66 7.691 -0.653 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.335 -3.160 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.272 -2.057 2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.367 0.496 2.359 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.999 1.514 2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.045 -3.421 0.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.428 0.689 1.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.638 -3.284 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.328 -1.236 -0.040 1.00 0.00 H new ATOM 1068 N PRO A 67 9.710 -2.161 -0.885 1.00 0.00 N ATOM 1069 CA PRO A 67 11.039 -2.808 -0.963 1.00 0.00 C ATOM 1070 C PRO A 67 11.947 -2.332 0.185 1.00 0.00 C ATOM 1071 O PRO A 67 12.689 -3.101 0.763 1.00 0.00 O ATOM 1072 CB PRO A 67 11.613 -2.346 -2.325 1.00 0.00 C ATOM 1073 CG PRO A 67 10.716 -1.181 -2.829 1.00 0.00 C ATOM 1074 CD PRO A 67 9.454 -1.154 -1.940 1.00 0.00 C ATOM 0 HA PRO A 67 10.974 -3.893 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.646 -2.017 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.615 -3.168 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.249 -0.232 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.446 -1.329 -3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.294 -0.165 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.561 -1.401 -2.514 1.00 0.00 H new ATOM 1082 N SER A 68 11.922 -1.063 0.486 1.00 0.00 N ATOM 1083 CA SER A 68 12.811 -0.525 1.557 1.00 0.00 C ATOM 1084 C SER A 68 12.434 -1.085 2.932 1.00 0.00 C ATOM 1085 O SER A 68 13.075 -0.785 3.920 1.00 0.00 O ATOM 1086 CB SER A 68 12.685 0.996 1.584 1.00 0.00 C ATOM 1087 OG SER A 68 13.352 1.542 0.453 1.00 0.00 O ATOM 0 H SER A 68 11.322 -0.372 0.035 1.00 0.00 H new ATOM 0 HA SER A 68 13.836 -0.825 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.634 1.286 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.118 1.392 2.503 1.00 0.00 H new ATOM 0 HG SER A 68 14.160 2.013 0.746 1.00 0.00 H new ATOM 1093 N ARG A 69 11.414 -1.901 3.012 1.00 0.00 N ATOM 1094 CA ARG A 69 11.007 -2.485 4.336 1.00 0.00 C ATOM 1095 C ARG A 69 11.399 -3.965 4.376 1.00 0.00 C ATOM 1096 O ARG A 69 11.544 -4.548 5.432 1.00 0.00 O ATOM 1097 CB ARG A 69 9.489 -2.352 4.516 1.00 0.00 C ATOM 1098 CG ARG A 69 9.140 -0.910 4.922 1.00 0.00 C ATOM 1099 CD ARG A 69 7.652 -0.815 5.284 1.00 0.00 C ATOM 1100 NE ARG A 69 7.363 0.506 5.947 1.00 0.00 N ATOM 1101 CZ ARG A 69 7.948 0.866 7.062 1.00 0.00 C ATOM 1102 NH1 ARG A 69 8.704 0.030 7.716 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.740 2.060 7.546 1.00 0.00 N ATOM 0 H ARG A 69 10.842 -2.191 2.219 1.00 0.00 H new ATOM 0 HA ARG A 69 11.512 -1.949 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.979 -2.613 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.141 -3.049 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.750 -0.604 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.368 -0.227 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.044 -0.920 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.379 -1.633 5.951 1.00 0.00 H new ATOM 0 HE ARG A 69 6.691 1.140 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.845 -0.916 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.155 0.321 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.124 2.709 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.194 2.345 8.414 1.00 0.00 H new ATOM 1117 N TYR A 70 11.576 -4.572 3.230 1.00 0.00 N ATOM 1118 CA TYR A 70 11.963 -6.020 3.176 1.00 0.00 C ATOM 1119 C TYR A 70 13.431 -6.119 2.752 1.00 0.00 C ATOM 1120 O TYR A 70 14.159 -5.146 2.780 1.00 0.00 O ATOM 1121 CB TYR A 70 11.081 -6.739 2.141 1.00 0.00 C ATOM 1122 CG TYR A 70 9.731 -7.044 2.749 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.597 -8.083 3.694 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.614 -6.283 2.378 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.337 -8.356 4.261 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.354 -6.552 2.945 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.214 -7.590 3.887 1.00 0.00 C ATOM 1128 OH TYR A 70 5.981 -7.856 4.445 1.00 0.00 O ATOM 0 H TYR A 70 11.469 -4.125 2.320 1.00 0.00 H new ATOM 0 HA TYR A 70 11.827 -6.483 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.960 -6.115 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.562 -7.662 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.458 -8.667 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.720 -5.488 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.231 -9.153 4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.495 -5.963 2.658 1.00 0.00 H new ATOM 0 HH TYR A 70 5.316 -7.236 4.080 1.00 0.00 H new ATOM 1138 N GLN A 71 13.874 -7.282 2.359 1.00 0.00 N ATOM 1139 CA GLN A 71 15.299 -7.432 1.941 1.00 0.00 C ATOM 1140 C GLN A 71 15.435 -8.662 1.037 1.00 0.00 C ATOM 1141 O GLN A 71 16.397 -9.395 1.115 1.00 0.00 O ATOM 1142 CB GLN A 71 16.167 -7.602 3.192 1.00 0.00 C ATOM 1143 CG GLN A 71 17.635 -7.311 2.860 1.00 0.00 C ATOM 1144 CD GLN A 71 18.514 -7.703 4.050 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.208 -8.638 4.764 1.00 0.00 O ATOM 1146 NE2 GLN A 71 19.602 -7.025 4.294 1.00 0.00 N ATOM 0 H GLN A 71 13.314 -8.133 2.309 1.00 0.00 H new ATOM 0 HA GLN A 71 15.624 -6.549 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.823 -6.928 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.068 -8.617 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.936 -7.868 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.765 -6.253 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.859 -6.240 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.195 -7.280 5.084 1.00 0.00 H new ATOM 1155 N ALA A 72 14.470 -8.889 0.185 1.00 0.00 N ATOM 1156 CA ALA A 72 14.523 -10.066 -0.727 1.00 0.00 C ATOM 1157 C ALA A 72 14.247 -11.341 0.072 1.00 0.00 C ATOM 1158 O ALA A 72 13.285 -12.044 -0.171 1.00 0.00 O ATOM 1159 CB ALA A 72 15.908 -10.147 -1.393 1.00 0.00 C ATOM 0 H ALA A 72 13.641 -8.303 0.082 1.00 0.00 H new ATOM 0 HA ALA A 72 13.766 -9.960 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.942 -11.009 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.090 -9.238 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.675 -10.251 -0.626 1.00 0.00 H new ATOM 1165 N GLY A 73 15.080 -11.642 1.026 1.00 0.00 N ATOM 1166 CA GLY A 73 14.869 -12.868 1.842 1.00 0.00 C ATOM 1167 C GLY A 73 13.685 -12.661 2.786 1.00 0.00 C ATOM 1168 O GLY A 73 13.725 -11.835 3.678 1.00 0.00 O ATOM 0 H GLY A 73 15.900 -11.090 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.682 -13.722 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.768 -13.094 2.415 1.00 0.00 H new ATOM 1172 N GLU A 74 12.633 -13.410 2.600 1.00 0.00 N ATOM 1173 CA GLU A 74 11.440 -13.269 3.484 1.00 0.00 C ATOM 1174 C GLU A 74 11.570 -14.229 4.669 1.00 0.00 C ATOM 1175 O GLU A 74 10.700 -14.210 5.522 1.00 0.00 O ATOM 1176 CB GLU A 74 10.177 -13.614 2.688 1.00 0.00 C ATOM 1177 CG GLU A 74 10.225 -15.082 2.264 1.00 0.00 C ATOM 1178 CD GLU A 74 9.165 -15.342 1.190 1.00 0.00 C ATOM 1179 OE1 GLU A 74 7.994 -15.348 1.531 1.00 0.00 O ATOM 1180 OE2 GLU A 74 9.542 -15.532 0.044 1.00 0.00 O ATOM 1181 OXT GLU A 74 12.541 -14.970 4.699 1.00 0.00 O ATOM 0 H GLU A 74 12.548 -14.117 1.870 1.00 0.00 H new ATOM 0 HA GLU A 74 11.375 -12.244 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.290 -13.429 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.102 -12.973 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.215 -15.328 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.049 -15.726 3.126 1.00 0.00 H new TER 1188 GLU A 74