USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN : amide:sc= 0.277 K(o=1.5,f=-0.67) USER MOD Set 1.2: B 110 TYR OH : rot -109:sc= 1.24 USER MOD Set 2.1: A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0388) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00695 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.08) USER MOD Single : A 13 TYR OH : rot 165:sc= -0.0483 USER MOD Single : A 14 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.7) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0278) USER MOD Single : A 18 THR OG1 : rot 81:sc= 0.257 USER MOD Single : A 20 ASN : amide:sc= -4.58! C(o=-4.6!,f=-9.3!) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.75! C(o=-2.7!,f=-4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0188 F(o=-0.98,f=-0.019) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0681) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.18) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0407 F(o=-0.85,f=-0.041) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0228) USER MOD Single : A 50 THR OG1 : rot -140:sc= -0.302 USER MOD Single : A 53 ASN : amide:sc= -0.088 K(o=-0.088,f=-2.1!) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= 0.22 K(o=0.22,f=-0.56) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN :FLIP amide:sc= -0.734 F(o=-2,f=-0.73) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ 169:sc= -0.0185 (180deg=-0.192) USER MOD Single : B 115 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 123 LYS NZ :NH3+ -148:sc= -0.574 (180deg=-1.77!) USER MOD Single : B 130 SER OG : rot -35:sc= 0.163 USER MOD Single : B 133 THR OG1 : rot 68:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.953 0.882 4.806 1.00 0.00 N ATOM 2 CA MET A 1 38.539 -0.120 3.797 1.00 0.00 C ATOM 3 C MET A 1 37.029 -0.112 3.632 1.00 0.00 C ATOM 4 O MET A 1 36.299 -0.514 4.540 1.00 0.00 O ATOM 5 CB MET A 1 39.005 -1.520 4.203 1.00 0.00 C ATOM 6 CG MET A 1 40.514 -1.693 4.183 1.00 0.00 C ATOM 7 SD MET A 1 41.221 -1.429 2.546 1.00 0.00 S ATOM 8 CE MET A 1 42.943 -1.823 2.853 1.00 0.00 C ATOM 0 H1 MET A 1 39.991 0.937 4.835 1.00 0.00 H new ATOM 0 H2 MET A 1 38.564 1.812 4.551 1.00 0.00 H new ATOM 0 H3 MET A 1 38.595 0.601 5.741 1.00 0.00 H new ATOM 0 HA MET A 1 39.004 0.144 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 38.637 -1.739 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.556 -2.251 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.965 -0.994 4.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 40.765 -2.697 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 43.513 -1.706 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 43.340 -1.150 3.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 43.024 -2.853 3.202 1.00 0.00 H new ATOM 20 N ASP A 2 36.571 0.359 2.472 1.00 0.00 N ATOM 21 CA ASP A 2 35.146 0.433 2.159 1.00 0.00 C ATOM 22 C ASP A 2 34.410 1.257 3.207 1.00 0.00 C ATOM 23 O ASP A 2 33.381 0.839 3.741 1.00 0.00 O ATOM 24 CB ASP A 2 34.530 -0.968 2.046 1.00 0.00 C ATOM 25 CG ASP A 2 35.158 -1.787 0.935 1.00 0.00 C ATOM 26 OD1 ASP A 2 35.985 -2.672 1.240 1.00 0.00 O ATOM 27 OD2 ASP A 2 34.841 -1.542 -0.250 1.00 0.00 O ATOM 0 H ASP A 2 37.177 0.699 1.725 1.00 0.00 H new ATOM 0 HA ASP A 2 35.040 0.926 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 2 34.651 -1.493 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 2 33.459 -0.878 1.866 1.00 0.00 H new ATOM 32 N SER A 3 34.951 2.429 3.503 1.00 0.00 N ATOM 33 CA SER A 3 34.370 3.306 4.503 1.00 0.00 C ATOM 34 C SER A 3 33.473 4.354 3.853 1.00 0.00 C ATOM 35 O SER A 3 33.007 5.284 4.514 1.00 0.00 O ATOM 36 CB SER A 3 35.475 3.974 5.323 1.00 0.00 C ATOM 37 OG SER A 3 36.308 2.998 5.930 1.00 0.00 O ATOM 0 H SER A 3 35.795 2.794 3.062 1.00 0.00 H new ATOM 0 HA SER A 3 33.753 2.706 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.072 4.620 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.032 4.609 6.090 1.00 0.00 H new ATOM 0 HG SER A 3 37.010 3.444 6.449 1.00 0.00 H new ATOM 43 N ALA A 4 33.236 4.203 2.552 1.00 0.00 N ATOM 44 CA ALA A 4 32.280 5.050 1.852 1.00 0.00 C ATOM 45 C ALA A 4 30.897 4.869 2.461 1.00 0.00 C ATOM 46 O ALA A 4 30.136 5.828 2.620 1.00 0.00 O ATOM 47 CB ALA A 4 32.257 4.726 0.366 1.00 0.00 C ATOM 0 H ALA A 4 33.692 3.504 1.965 1.00 0.00 H new ATOM 0 HA ALA A 4 32.585 6.091 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 4 31.536 5.371 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 4 33.248 4.891 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 4 31.971 3.684 0.225 1.00 0.00 H new ATOM 53 N ILE A 5 30.573 3.628 2.797 1.00 0.00 N ATOM 54 CA ILE A 5 29.367 3.335 3.542 1.00 0.00 C ATOM 55 C ILE A 5 29.668 3.355 5.033 1.00 0.00 C ATOM 56 O ILE A 5 30.206 2.393 5.582 1.00 0.00 O ATOM 57 CB ILE A 5 28.796 1.954 3.170 1.00 0.00 C ATOM 58 CG1 ILE A 5 28.713 1.815 1.651 1.00 0.00 C ATOM 59 CG2 ILE A 5 27.425 1.759 3.809 1.00 0.00 C ATOM 60 CD1 ILE A 5 28.293 0.437 1.196 1.00 0.00 C ATOM 0 H ILE A 5 31.134 2.809 2.562 1.00 0.00 H new ATOM 0 HA ILE A 5 28.629 4.097 3.292 1.00 0.00 H new ATOM 0 HB ILE A 5 29.461 1.180 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 5 28.005 2.548 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 5 29.685 2.052 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 5 27.033 0.779 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.516 1.826 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.745 2.533 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 5 28.255 0.409 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 5 29.013 -0.299 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 5 27.307 0.205 1.600 1.00 0.00 H new ATOM 72 N SER A 6 29.349 4.458 5.681 1.00 0.00 N ATOM 73 CA SER A 6 29.509 4.562 7.115 1.00 0.00 C ATOM 74 C SER A 6 28.143 4.421 7.767 1.00 0.00 C ATOM 75 O SER A 6 27.160 4.119 7.082 1.00 0.00 O ATOM 76 CB SER A 6 30.162 5.907 7.473 1.00 0.00 C ATOM 77 OG SER A 6 30.440 6.011 8.863 1.00 0.00 O ATOM 0 H SER A 6 28.977 5.296 5.234 1.00 0.00 H new ATOM 0 HA SER A 6 30.161 3.770 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.087 6.022 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.502 6.721 7.173 1.00 0.00 H new ATOM 0 HG SER A 6 30.856 6.879 9.049 1.00 0.00 H new ATOM 83 N LYS A 7 28.067 4.633 9.071 1.00 0.00 N ATOM 84 CA LYS A 7 26.800 4.642 9.762 1.00 0.00 C ATOM 85 C LYS A 7 25.877 5.682 9.132 1.00 0.00 C ATOM 86 O LYS A 7 24.667 5.505 9.090 1.00 0.00 O ATOM 87 CB LYS A 7 27.039 4.943 11.238 1.00 0.00 C ATOM 88 CG LYS A 7 25.776 5.051 12.065 1.00 0.00 C ATOM 89 CD LYS A 7 24.975 3.754 12.082 1.00 0.00 C ATOM 90 CE LYS A 7 25.720 2.625 12.777 1.00 0.00 C ATOM 91 NZ LYS A 7 24.887 1.398 12.876 1.00 0.00 N ATOM 0 H LYS A 7 28.876 4.801 9.670 1.00 0.00 H new ATOM 0 HA LYS A 7 26.320 3.667 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 7 27.669 4.159 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 7 27.594 5.877 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 7 26.037 5.326 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.154 5.853 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 7 24.024 3.924 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.745 3.458 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 7 26.635 2.401 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 26.017 2.945 13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.330 0.730 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 23.939 1.649 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.808 0.955 11.938 1.00 0.00 H new ATOM 105 N GLU A 8 26.482 6.746 8.611 1.00 0.00 N ATOM 106 CA GLU A 8 25.759 7.814 7.929 1.00 0.00 C ATOM 107 C GLU A 8 24.899 7.276 6.787 1.00 0.00 C ATOM 108 O GLU A 8 23.729 7.642 6.657 1.00 0.00 O ATOM 109 CB GLU A 8 26.758 8.835 7.389 1.00 0.00 C ATOM 110 CG GLU A 8 27.500 9.586 8.481 1.00 0.00 C ATOM 111 CD GLU A 8 26.574 10.440 9.322 1.00 0.00 C ATOM 112 OE1 GLU A 8 26.044 9.937 10.338 1.00 0.00 O ATOM 113 OE2 GLU A 8 26.361 11.615 8.966 1.00 0.00 O ATOM 0 H GLU A 8 27.491 6.892 8.650 1.00 0.00 H new ATOM 0 HA GLU A 8 25.092 8.287 8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.481 8.324 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.230 9.551 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.016 8.872 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 8 28.264 10.219 8.029 1.00 0.00 H new ATOM 120 N ASP A 9 25.481 6.410 5.964 1.00 0.00 N ATOM 121 CA ASP A 9 24.763 5.817 4.836 1.00 0.00 C ATOM 122 C ASP A 9 23.636 4.927 5.343 1.00 0.00 C ATOM 123 O ASP A 9 22.524 4.946 4.815 1.00 0.00 O ATOM 124 CB ASP A 9 25.722 5.002 3.962 1.00 0.00 C ATOM 125 CG ASP A 9 25.076 4.469 2.692 1.00 0.00 C ATOM 126 OD1 ASP A 9 24.369 3.441 2.755 1.00 0.00 O ATOM 127 OD2 ASP A 9 25.307 5.058 1.613 1.00 0.00 O ATOM 0 H ASP A 9 26.449 6.101 6.055 1.00 0.00 H new ATOM 0 HA ASP A 9 24.338 6.620 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.575 5.625 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.109 4.165 4.543 1.00 0.00 H new ATOM 132 N GLU A 10 23.935 4.168 6.390 1.00 0.00 N ATOM 133 CA GLU A 10 22.958 3.279 7.004 1.00 0.00 C ATOM 134 C GLU A 10 21.794 4.068 7.597 1.00 0.00 C ATOM 135 O GLU A 10 20.641 3.814 7.260 1.00 0.00 O ATOM 136 CB GLU A 10 23.620 2.419 8.081 1.00 0.00 C ATOM 137 CG GLU A 10 22.628 1.588 8.873 1.00 0.00 C ATOM 138 CD GLU A 10 23.286 0.482 9.665 1.00 0.00 C ATOM 139 OE1 GLU A 10 22.856 -0.682 9.532 1.00 0.00 O ATOM 140 OE2 GLU A 10 24.247 0.763 10.407 1.00 0.00 O ATOM 0 H GLU A 10 24.853 4.151 6.834 1.00 0.00 H new ATOM 0 HA GLU A 10 22.563 2.625 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.347 1.756 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.172 3.064 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.079 2.238 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.898 1.154 8.190 1.00 0.00 H new ATOM 147 N GLU A 11 22.108 5.016 8.476 1.00 0.00 N ATOM 148 CA GLU A 11 21.106 5.893 9.074 1.00 0.00 C ATOM 149 C GLU A 11 20.228 6.522 7.999 1.00 0.00 C ATOM 150 O GLU A 11 19.006 6.588 8.140 1.00 0.00 O ATOM 151 CB GLU A 11 21.784 6.999 9.884 1.00 0.00 C ATOM 152 CG GLU A 11 22.574 6.498 11.081 1.00 0.00 C ATOM 153 CD GLU A 11 21.694 6.004 12.207 1.00 0.00 C ATOM 154 OE1 GLU A 11 20.980 6.835 12.809 1.00 0.00 O ATOM 155 OE2 GLU A 11 21.730 4.796 12.517 1.00 0.00 O ATOM 0 H GLU A 11 23.060 5.197 8.793 1.00 0.00 H new ATOM 0 HA GLU A 11 20.482 5.290 9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.453 7.556 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.023 7.698 10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.233 5.691 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.211 7.302 11.451 1.00 0.00 H new ATOM 162 N ARG A 12 20.862 6.964 6.918 1.00 0.00 N ATOM 163 CA ARG A 12 20.149 7.582 5.806 1.00 0.00 C ATOM 164 C ARG A 12 19.177 6.591 5.182 1.00 0.00 C ATOM 165 O ARG A 12 18.019 6.919 4.920 1.00 0.00 O ATOM 166 CB ARG A 12 21.135 8.066 4.743 1.00 0.00 C ATOM 167 CG ARG A 12 20.474 8.794 3.585 1.00 0.00 C ATOM 168 CD ARG A 12 21.459 9.047 2.459 1.00 0.00 C ATOM 169 NE ARG A 12 22.639 9.785 2.911 1.00 0.00 N ATOM 170 CZ ARG A 12 23.869 9.583 2.438 1.00 0.00 C ATOM 171 NH1 ARG A 12 24.080 8.689 1.478 1.00 0.00 N ATOM 172 NH2 ARG A 12 24.885 10.286 2.914 1.00 0.00 N ATOM 0 H ARG A 12 21.872 6.905 6.788 1.00 0.00 H new ATOM 0 HA ARG A 12 19.592 8.435 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.863 8.730 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.687 7.210 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.636 8.204 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.066 9.743 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 12 21.771 8.094 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.965 9.607 1.665 1.00 0.00 H new ATOM 0 HE ARG A 12 22.513 10.496 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 23.299 8.153 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 12 25.023 8.538 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 12 24.727 10.982 3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 12 25.826 10.131 2.552 1.00 0.00 H new ATOM 186 N TYR A 13 19.661 5.379 4.949 1.00 0.00 N ATOM 187 CA TYR A 13 18.850 4.323 4.365 1.00 0.00 C ATOM 188 C TYR A 13 17.704 3.933 5.295 1.00 0.00 C ATOM 189 O TYR A 13 16.550 3.894 4.879 1.00 0.00 O ATOM 190 CB TYR A 13 19.728 3.108 4.045 1.00 0.00 C ATOM 191 CG TYR A 13 18.941 1.851 3.764 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.130 0.711 4.534 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.999 1.810 2.747 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.399 -0.435 4.297 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.266 0.667 2.504 1.00 0.00 C ATOM 196 CZ TYR A 13 17.468 -0.452 3.282 1.00 0.00 C ATOM 197 OH TYR A 13 16.735 -1.591 3.043 1.00 0.00 O ATOM 0 H TYR A 13 20.620 5.102 5.158 1.00 0.00 H new ATOM 0 HA TYR A 13 18.411 4.695 3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.351 3.338 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.401 2.926 4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.860 0.722 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.837 2.686 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.556 -1.314 4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.537 0.649 1.707 1.00 0.00 H new ATOM 0 HH TYR A 13 15.970 -1.374 2.470 1.00 0.00 H new ATOM 207 N GLN A 14 18.031 3.644 6.549 1.00 0.00 N ATOM 208 CA GLN A 14 17.038 3.280 7.549 1.00 0.00 C ATOM 209 C GLN A 14 15.932 4.319 7.650 1.00 0.00 C ATOM 210 O GLN A 14 14.748 3.994 7.581 1.00 0.00 O ATOM 211 CB GLN A 14 17.712 3.116 8.902 1.00 0.00 C ATOM 212 CG GLN A 14 18.732 1.995 8.917 1.00 0.00 C ATOM 213 CD GLN A 14 19.062 1.523 10.316 1.00 0.00 C ATOM 214 OE1 GLN A 14 19.985 2.028 10.953 1.00 0.00 O ATOM 215 NE2 GLN A 14 18.309 0.554 10.807 1.00 0.00 N ATOM 0 H GLN A 14 18.989 3.656 6.899 1.00 0.00 H new ATOM 0 HA GLN A 14 16.584 2.338 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.202 4.051 9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.953 2.921 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.351 1.155 8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.645 2.334 8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.553 0.162 10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.484 0.198 11.747 1.00 0.00 H new ATOM 224 N LYS A 15 16.318 5.568 7.827 1.00 0.00 N ATOM 225 CA LYS A 15 15.350 6.646 7.869 1.00 0.00 C ATOM 226 C LYS A 15 14.589 6.763 6.552 1.00 0.00 C ATOM 227 O LYS A 15 13.418 7.137 6.549 1.00 0.00 O ATOM 228 CB LYS A 15 16.009 7.980 8.222 1.00 0.00 C ATOM 229 CG LYS A 15 16.577 8.036 9.634 1.00 0.00 C ATOM 230 CD LYS A 15 15.534 7.704 10.687 1.00 0.00 C ATOM 231 CE LYS A 15 14.392 8.697 10.664 1.00 0.00 C ATOM 232 NZ LYS A 15 14.801 10.040 11.151 1.00 0.00 N ATOM 0 H LYS A 15 17.288 5.860 7.943 1.00 0.00 H new ATOM 0 HA LYS A 15 14.636 6.402 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.811 8.177 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.276 8.778 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.409 7.337 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.977 9.032 9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.148 6.699 10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.998 7.703 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.009 8.783 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.576 8.322 11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.963 10.651 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.251 9.949 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.476 10.462 10.481 1.00 0.00 H new ATOM 246 N LEU A 16 15.241 6.427 5.439 1.00 0.00 N ATOM 247 CA LEU A 16 14.578 6.450 4.139 1.00 0.00 C ATOM 248 C LEU A 16 13.435 5.449 4.117 1.00 0.00 C ATOM 249 O LEU A 16 12.306 5.807 3.794 1.00 0.00 O ATOM 250 CB LEU A 16 15.559 6.158 2.995 1.00 0.00 C ATOM 251 CG LEU A 16 14.981 6.312 1.580 1.00 0.00 C ATOM 252 CD1 LEU A 16 14.244 7.636 1.447 1.00 0.00 C ATOM 253 CD2 LEU A 16 16.089 6.220 0.544 1.00 0.00 C ATOM 0 H LEU A 16 16.219 6.138 5.413 1.00 0.00 H new ATOM 0 HA LEU A 16 14.182 7.454 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.416 6.824 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.932 5.140 3.109 1.00 0.00 H new ATOM 0 HG LEU A 16 14.272 5.502 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.841 7.728 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.428 7.672 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.934 8.458 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.664 6.331 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.817 7.012 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.581 5.251 0.623 1.00 0.00 H new ATOM 265 N VAL A 17 13.724 4.203 4.495 1.00 0.00 N ATOM 266 CA VAL A 17 12.696 3.167 4.525 1.00 0.00 C ATOM 267 C VAL A 17 11.589 3.591 5.470 1.00 0.00 C ATOM 268 O VAL A 17 10.411 3.403 5.190 1.00 0.00 O ATOM 269 CB VAL A 17 13.254 1.777 4.943 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.634 1.573 4.362 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.282 1.585 6.456 1.00 0.00 C ATOM 0 H VAL A 17 14.652 3.891 4.781 1.00 0.00 H new ATOM 0 HA VAL A 17 12.309 3.056 3.512 1.00 0.00 H new ATOM 0 HB VAL A 17 12.574 1.026 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.014 0.596 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.582 1.624 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.303 2.351 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.680 0.598 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.915 2.348 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.270 1.671 6.853 1.00 0.00 H new ATOM 281 N THR A 18 11.993 4.224 6.560 1.00 0.00 N ATOM 282 CA THR A 18 11.087 4.734 7.546 1.00 0.00 C ATOM 283 C THR A 18 10.083 5.692 6.912 1.00 0.00 C ATOM 284 O THR A 18 8.888 5.635 7.198 1.00 0.00 O ATOM 285 CB THR A 18 11.902 5.445 8.634 1.00 0.00 C ATOM 286 OG1 THR A 18 12.487 4.487 9.527 1.00 0.00 O ATOM 287 CG2 THR A 18 11.058 6.437 9.389 1.00 0.00 C ATOM 0 H THR A 18 12.975 4.394 6.777 1.00 0.00 H new ATOM 0 HA THR A 18 10.522 3.912 7.987 1.00 0.00 H new ATOM 0 HB THR A 18 12.705 5.999 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.305 4.125 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.664 6.924 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.673 7.187 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.224 5.919 9.863 1.00 0.00 H new ATOM 295 N GLU A 19 10.579 6.544 6.025 1.00 0.00 N ATOM 296 CA GLU A 19 9.750 7.529 5.359 1.00 0.00 C ATOM 297 C GLU A 19 8.624 6.867 4.580 1.00 0.00 C ATOM 298 O GLU A 19 7.472 7.283 4.685 1.00 0.00 O ATOM 299 CB GLU A 19 10.606 8.403 4.447 1.00 0.00 C ATOM 300 CG GLU A 19 11.601 9.249 5.226 1.00 0.00 C ATOM 301 CD GLU A 19 12.434 10.159 4.349 1.00 0.00 C ATOM 302 OE1 GLU A 19 13.585 9.797 4.021 1.00 0.00 O ATOM 303 OE2 GLU A 19 11.950 11.260 4.002 1.00 0.00 O ATOM 0 H GLU A 19 11.561 6.569 5.751 1.00 0.00 H new ATOM 0 HA GLU A 19 9.292 8.162 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.144 7.770 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.959 9.055 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.060 9.854 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.264 8.591 5.788 1.00 0.00 H new ATOM 310 N ASN A 20 8.943 5.820 3.831 1.00 0.00 N ATOM 311 CA ASN A 20 7.931 5.138 3.032 1.00 0.00 C ATOM 312 C ASN A 20 7.075 4.178 3.865 1.00 0.00 C ATOM 313 O ASN A 20 5.925 3.927 3.510 1.00 0.00 O ATOM 314 CB ASN A 20 8.532 4.433 1.803 1.00 0.00 C ATOM 315 CG ASN A 20 9.976 4.018 1.975 1.00 0.00 C ATOM 316 OD1 ASN A 20 10.875 4.823 1.777 1.00 0.00 O ATOM 317 ND2 ASN A 20 10.214 2.755 2.289 1.00 0.00 N ATOM 0 H ASN A 20 9.882 5.427 3.759 1.00 0.00 H new ATOM 0 HA ASN A 20 7.266 5.918 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.936 3.549 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.456 5.098 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.175 2.423 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.437 2.114 2.447 1.00 0.00 H new ATOM 324 N GLU A 21 7.606 3.659 4.972 1.00 0.00 N ATOM 325 CA GLU A 21 6.811 2.821 5.870 1.00 0.00 C ATOM 326 C GLU A 21 5.639 3.596 6.470 1.00 0.00 C ATOM 327 O GLU A 21 4.532 3.069 6.604 1.00 0.00 O ATOM 328 CB GLU A 21 7.689 2.292 6.991 1.00 0.00 C ATOM 329 CG GLU A 21 8.822 1.429 6.494 1.00 0.00 C ATOM 330 CD GLU A 21 8.410 -0.005 6.245 1.00 0.00 C ATOM 331 OE1 GLU A 21 8.077 -0.710 7.223 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.429 -0.440 5.076 1.00 0.00 O ATOM 0 H GLU A 21 8.572 3.802 5.266 1.00 0.00 H new ATOM 0 HA GLU A 21 6.410 1.993 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.098 3.132 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.076 1.715 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.216 1.853 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.632 1.447 7.224 1.00 0.00 H new ATOM 339 N GLN A 22 5.893 4.845 6.833 1.00 0.00 N ATOM 340 CA GLN A 22 4.877 5.674 7.479 1.00 0.00 C ATOM 341 C GLN A 22 3.687 5.907 6.565 1.00 0.00 C ATOM 342 O GLN A 22 2.559 5.529 6.877 1.00 0.00 O ATOM 343 CB GLN A 22 5.441 7.040 7.869 1.00 0.00 C ATOM 344 CG GLN A 22 6.719 6.974 8.690 1.00 0.00 C ATOM 345 CD GLN A 22 7.226 8.343 9.088 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.079 8.916 8.260 1.00 0.00 O flip ATOM 347 NE2 GLN A 22 6.859 8.881 10.133 1.00 0.00 N flip ATOM 0 H GLN A 22 6.791 5.309 6.693 1.00 0.00 H new ATOM 0 HA GLN A 22 4.560 5.132 8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.634 7.614 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.686 7.584 8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.540 6.382 9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.489 6.458 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.198 8.405 10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.216 9.803 10.385 1.00 0.00 H new ATOM 356 N LEU A 23 3.951 6.524 5.427 1.00 0.00 N ATOM 357 CA LEU A 23 2.885 7.040 4.589 1.00 0.00 C ATOM 358 C LEU A 23 2.232 5.958 3.737 1.00 0.00 C ATOM 359 O LEU A 23 1.119 6.148 3.256 1.00 0.00 O ATOM 360 CB LEU A 23 3.371 8.237 3.755 1.00 0.00 C ATOM 361 CG LEU A 23 4.122 7.941 2.460 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.617 9.236 1.846 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.280 6.998 2.683 1.00 0.00 C ATOM 0 H LEU A 23 4.891 6.679 5.063 1.00 0.00 H new ATOM 0 HA LEU A 23 2.099 7.403 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.503 8.848 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.018 8.845 4.387 1.00 0.00 H new ATOM 0 HG LEU A 23 3.428 7.452 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.152 9.019 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.768 9.884 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.287 9.737 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.787 6.814 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.981 7.443 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.909 6.055 3.085 1.00 0.00 H new ATOM 375 N GLN A 24 2.896 4.817 3.564 1.00 0.00 N ATOM 376 CA GLN A 24 2.253 3.694 2.888 1.00 0.00 C ATOM 377 C GLN A 24 1.090 3.193 3.740 1.00 0.00 C ATOM 378 O GLN A 24 0.063 2.754 3.222 1.00 0.00 O ATOM 379 CB GLN A 24 3.233 2.550 2.603 1.00 0.00 C ATOM 380 CG GLN A 24 3.680 1.784 3.840 1.00 0.00 C ATOM 381 CD GLN A 24 4.656 0.665 3.529 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.500 0.323 4.351 1.00 0.00 O ATOM 383 NE2 GLN A 24 4.555 0.091 2.342 1.00 0.00 N ATOM 0 H GLN A 24 3.853 4.648 3.873 1.00 0.00 H new ATOM 0 HA GLN A 24 1.886 4.046 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.766 1.853 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.113 2.957 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.144 2.478 4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.804 1.366 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.840 0.402 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.192 -0.663 2.084 1.00 0.00 H new ATOM 392 N ARG A 25 1.264 3.289 5.056 1.00 0.00 N ATOM 393 CA ARG A 25 0.214 2.978 6.002 1.00 0.00 C ATOM 394 C ARG A 25 -0.926 3.975 5.837 1.00 0.00 C ATOM 395 O ARG A 25 -2.093 3.603 5.775 1.00 0.00 O ATOM 396 CB ARG A 25 0.791 3.038 7.420 1.00 0.00 C ATOM 397 CG ARG A 25 -0.112 3.730 8.423 1.00 0.00 C ATOM 398 CD ARG A 25 0.671 4.211 9.634 1.00 0.00 C ATOM 399 NE ARG A 25 1.358 3.109 10.306 1.00 0.00 N ATOM 400 CZ ARG A 25 2.254 3.260 11.282 1.00 0.00 C ATOM 401 NH1 ARG A 25 2.601 4.472 11.699 1.00 0.00 N ATOM 402 NH2 ARG A 25 2.803 2.189 11.838 1.00 0.00 N ATOM 0 H ARG A 25 2.139 3.585 5.489 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.176 1.976 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.989 2.023 7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.749 3.557 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.605 4.577 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.896 3.044 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.400 4.959 9.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.006 4.699 10.335 1.00 0.00 H new ATOM 0 HE ARG A 25 1.137 2.159 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.181 5.298 11.272 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.287 4.577 12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.539 1.257 11.519 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.489 2.297 12.585 1.00 0.00 H new ATOM 416 N LEU A 26 -0.559 5.243 5.742 1.00 0.00 N ATOM 417 CA LEU A 26 -1.522 6.319 5.572 1.00 0.00 C ATOM 418 C LEU A 26 -2.333 6.100 4.302 1.00 0.00 C ATOM 419 O LEU A 26 -3.537 6.342 4.276 1.00 0.00 O ATOM 420 CB LEU A 26 -0.780 7.656 5.544 1.00 0.00 C ATOM 421 CG LEU A 26 0.038 7.931 6.811 1.00 0.00 C ATOM 422 CD1 LEU A 26 0.970 9.116 6.626 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.887 8.166 7.994 1.00 0.00 C ATOM 0 H LEU A 26 0.411 5.555 5.780 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.221 6.330 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.115 7.675 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.503 8.460 5.407 1.00 0.00 H new ATOM 0 HG LEU A 26 0.653 7.053 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.534 9.282 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.660 8.912 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.385 10.006 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.293 8.360 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.527 9.024 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.505 7.282 8.154 1.00 0.00 H new ATOM 435 N ILE A 27 -1.664 5.614 3.266 1.00 0.00 N ATOM 436 CA ILE A 27 -2.328 5.219 2.033 1.00 0.00 C ATOM 437 C ILE A 27 -3.338 4.113 2.298 1.00 0.00 C ATOM 438 O ILE A 27 -4.520 4.265 2.005 1.00 0.00 O ATOM 439 CB ILE A 27 -1.314 4.711 0.992 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.372 5.833 0.584 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.020 4.137 -0.230 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.765 5.358 -0.280 1.00 0.00 C ATOM 0 H ILE A 27 -0.652 5.483 3.256 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.835 6.102 1.645 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.732 3.911 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.935 6.596 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.032 6.305 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.278 3.786 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.653 3.303 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.634 4.910 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.403 6.203 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.349 4.615 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.367 4.911 -1.191 1.00 0.00 H new ATOM 454 N THR A 28 -2.859 3.012 2.873 1.00 0.00 N ATOM 455 CA THR A 28 -3.686 1.829 3.091 1.00 0.00 C ATOM 456 C THR A 28 -4.945 2.162 3.899 1.00 0.00 C ATOM 457 O THR A 28 -6.001 1.575 3.675 1.00 0.00 O ATOM 458 CB THR A 28 -2.885 0.689 3.779 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.374 -0.582 3.333 1.00 0.00 O ATOM 460 CG2 THR A 28 -2.988 0.747 5.301 1.00 0.00 C ATOM 0 H THR A 28 -1.897 2.915 3.198 1.00 0.00 H new ATOM 0 HA THR A 28 -3.998 1.477 2.108 1.00 0.00 H new ATOM 0 HB THR A 28 -1.838 0.820 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.866 -1.299 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.412 -0.070 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.593 1.699 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.032 0.653 5.599 1.00 0.00 H new ATOM 468 N GLN A 29 -4.832 3.118 4.820 1.00 0.00 N ATOM 469 CA GLN A 29 -5.966 3.539 5.636 1.00 0.00 C ATOM 470 C GLN A 29 -7.017 4.209 4.774 1.00 0.00 C ATOM 471 O GLN A 29 -8.191 3.845 4.799 1.00 0.00 O ATOM 472 CB GLN A 29 -5.513 4.516 6.713 1.00 0.00 C ATOM 473 CG GLN A 29 -4.439 3.958 7.618 1.00 0.00 C ATOM 474 CD GLN A 29 -4.922 2.796 8.468 1.00 0.00 C ATOM 475 OE1 GLN A 29 -6.179 2.834 8.880 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 -4.161 1.876 8.765 1.00 0.00 N flip ATOM 0 H GLN A 29 -3.964 3.615 5.019 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.391 2.652 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.141 5.423 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.373 4.803 7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.595 3.631 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.074 4.751 8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.198 1.882 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.493 1.108 9.348 1.00 0.00 H new ATOM 485 N LYS A 30 -6.581 5.202 4.026 1.00 0.00 N ATOM 486 CA LYS A 30 -7.469 5.911 3.115 1.00 0.00 C ATOM 487 C LYS A 30 -8.040 4.946 2.078 1.00 0.00 C ATOM 488 O LYS A 30 -9.243 4.924 1.840 1.00 0.00 O ATOM 489 CB LYS A 30 -6.736 7.056 2.409 1.00 0.00 C ATOM 490 CG LYS A 30 -5.864 7.895 3.329 1.00 0.00 C ATOM 491 CD LYS A 30 -6.618 8.374 4.561 1.00 0.00 C ATOM 492 CE LYS A 30 -5.683 9.054 5.547 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.034 10.261 4.971 1.00 0.00 N ATOM 0 H LYS A 30 -5.618 5.539 4.028 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.284 6.335 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.114 6.641 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.471 7.704 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.999 7.309 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.485 8.757 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.404 9.068 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.107 7.528 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.242 9.336 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.915 8.347 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.486 10.747 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.398 9.978 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.763 10.904 4.601 1.00 0.00 H new ATOM 507 N GLU A 31 -7.166 4.132 1.495 1.00 0.00 N ATOM 508 CA GLU A 31 -7.547 3.196 0.441 1.00 0.00 C ATOM 509 C GLU A 31 -8.650 2.239 0.873 1.00 0.00 C ATOM 510 O GLU A 31 -9.597 2.020 0.124 1.00 0.00 O ATOM 511 CB GLU A 31 -6.332 2.406 -0.041 1.00 0.00 C ATOM 512 CG GLU A 31 -5.495 3.159 -1.060 1.00 0.00 C ATOM 513 CD GLU A 31 -6.203 3.303 -2.396 1.00 0.00 C ATOM 514 OE1 GLU A 31 -7.230 4.010 -2.464 1.00 0.00 O ATOM 515 OE2 GLU A 31 -5.739 2.702 -3.388 1.00 0.00 O ATOM 0 H GLU A 31 -6.176 4.102 1.738 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.942 3.796 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.708 2.153 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.668 1.466 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.256 4.148 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.550 2.637 -1.207 1.00 0.00 H new ATOM 522 N GLU A 32 -8.544 1.668 2.070 1.00 0.00 N ATOM 523 CA GLU A 32 -9.557 0.721 2.533 1.00 0.00 C ATOM 524 C GLU A 32 -10.895 1.421 2.777 1.00 0.00 C ATOM 525 O GLU A 32 -11.959 0.834 2.569 1.00 0.00 O ATOM 526 CB GLU A 32 -9.097 -0.028 3.790 1.00 0.00 C ATOM 527 CG GLU A 32 -8.627 0.869 4.920 1.00 0.00 C ATOM 528 CD GLU A 32 -8.498 0.129 6.229 1.00 0.00 C ATOM 529 OE1 GLU A 32 -7.427 -0.457 6.487 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.476 0.125 7.004 1.00 0.00 O ATOM 0 H GLU A 32 -7.783 1.839 2.727 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.698 -0.016 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.920 -0.645 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.286 -0.704 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.664 1.305 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.329 1.694 5.040 1.00 0.00 H new ATOM 537 N LYS A 33 -10.842 2.678 3.199 1.00 0.00 N ATOM 538 CA LYS A 33 -12.058 3.460 3.389 1.00 0.00 C ATOM 539 C LYS A 33 -12.648 3.865 2.040 1.00 0.00 C ATOM 540 O LYS A 33 -13.850 3.724 1.810 1.00 0.00 O ATOM 541 CB LYS A 33 -11.791 4.700 4.250 1.00 0.00 C ATOM 542 CG LYS A 33 -11.982 4.472 5.744 1.00 0.00 C ATOM 543 CD LYS A 33 -10.999 3.456 6.303 1.00 0.00 C ATOM 544 CE LYS A 33 -11.255 3.189 7.777 1.00 0.00 C ATOM 545 NZ LYS A 33 -10.226 2.292 8.368 1.00 0.00 N ATOM 0 H LYS A 33 -9.978 3.175 3.415 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.780 2.835 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.771 5.040 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.455 5.503 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.863 5.418 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.000 4.130 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.079 2.524 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.981 3.821 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.267 4.134 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.241 2.739 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.429 2.149 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.243 1.374 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.286 2.724 8.261 1.00 0.00 H new ATOM 559 N ILE A 34 -11.792 4.350 1.145 1.00 0.00 N ATOM 560 CA ILE A 34 -12.216 4.727 -0.201 1.00 0.00 C ATOM 561 C ILE A 34 -12.730 3.511 -0.956 1.00 0.00 C ATOM 562 O ILE A 34 -13.618 3.624 -1.789 1.00 0.00 O ATOM 563 CB ILE A 34 -11.069 5.386 -1.001 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.632 6.677 -0.322 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.508 5.666 -2.431 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.219 7.104 -0.676 1.00 0.00 C ATOM 0 H ILE A 34 -10.799 4.492 1.328 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.019 5.457 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.224 4.698 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.323 7.474 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.704 6.552 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.688 6.130 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.785 4.730 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.366 6.339 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.978 8.031 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.518 6.326 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.146 7.262 -1.752 1.00 0.00 H new ATOM 578 N ARG A 35 -12.169 2.351 -0.649 1.00 0.00 N ATOM 579 CA ARG A 35 -12.598 1.102 -1.196 1.00 0.00 C ATOM 580 C ARG A 35 -14.102 0.926 -1.047 1.00 0.00 C ATOM 581 O ARG A 35 -14.781 0.525 -1.987 1.00 0.00 O ATOM 582 CB ARG A 35 -11.859 0.006 -0.462 1.00 0.00 C ATOM 583 CG ARG A 35 -11.918 -1.302 -1.169 1.00 0.00 C ATOM 584 CD ARG A 35 -10.930 -2.295 -0.585 1.00 0.00 C ATOM 585 NE ARG A 35 -9.549 -1.887 -0.840 1.00 0.00 N ATOM 586 CZ ARG A 35 -8.557 -1.980 0.044 1.00 0.00 C ATOM 587 NH1 ARG A 35 -8.776 -2.476 1.254 1.00 0.00 N ATOM 588 NH2 ARG A 35 -7.339 -1.576 -0.286 1.00 0.00 N ATOM 0 H ARG A 35 -11.388 2.265 0.002 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.378 1.065 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.817 0.299 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.282 -0.106 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.927 -1.708 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.705 -1.155 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.092 -2.383 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.105 -3.281 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.330 -1.504 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.711 -2.790 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.010 -2.543 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.163 -1.195 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.578 -1.646 0.389 1.00 0.00 H new ATOM 602 N VAL A 36 -14.612 1.250 0.133 1.00 0.00 N ATOM 603 CA VAL A 36 -16.044 1.164 0.400 1.00 0.00 C ATOM 604 C VAL A 36 -16.811 2.126 -0.507 1.00 0.00 C ATOM 605 O VAL A 36 -17.833 1.769 -1.095 1.00 0.00 O ATOM 606 CB VAL A 36 -16.357 1.485 1.874 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.804 1.155 2.203 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.406 0.734 2.791 1.00 0.00 C ATOM 0 H VAL A 36 -14.055 1.576 0.923 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.359 0.141 0.194 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.214 2.554 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.002 1.390 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.465 1.744 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.984 0.094 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.639 0.970 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.516 -0.338 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.380 1.030 2.573 1.00 0.00 H new ATOM 618 N LEU A 37 -16.290 3.341 -0.628 1.00 0.00 N ATOM 619 CA LEU A 37 -16.859 4.350 -1.524 1.00 0.00 C ATOM 620 C LEU A 37 -16.774 3.889 -2.970 1.00 0.00 C ATOM 621 O LEU A 37 -17.661 4.158 -3.776 1.00 0.00 O ATOM 622 CB LEU A 37 -16.119 5.685 -1.362 1.00 0.00 C ATOM 623 CG LEU A 37 -16.679 6.623 -0.286 1.00 0.00 C ATOM 624 CD1 LEU A 37 -18.030 7.178 -0.714 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.794 5.904 1.050 1.00 0.00 C ATOM 0 H LEU A 37 -15.468 3.657 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.907 4.489 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.075 5.476 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.134 6.207 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.987 7.456 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.413 7.842 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.917 7.734 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.729 6.356 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.193 6.589 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.462 5.049 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.809 5.559 1.363 1.00 0.00 H new ATOM 637 N ARG A 38 -15.705 3.178 -3.277 1.00 0.00 N ATOM 638 CA ARG A 38 -15.457 2.680 -4.603 1.00 0.00 C ATOM 639 C ARG A 38 -16.462 1.592 -4.957 1.00 0.00 C ATOM 640 O ARG A 38 -16.887 1.493 -6.101 1.00 0.00 O ATOM 641 CB ARG A 38 -14.010 2.190 -4.675 1.00 0.00 C ATOM 642 CG ARG A 38 -13.777 1.044 -5.626 1.00 0.00 C ATOM 643 CD ARG A 38 -12.303 0.688 -5.675 1.00 0.00 C ATOM 644 NE ARG A 38 -12.017 -0.421 -6.583 1.00 0.00 N ATOM 645 CZ ARG A 38 -10.785 -0.760 -6.963 1.00 0.00 C ATOM 646 NH1 ARG A 38 -9.744 -0.042 -6.562 1.00 0.00 N ATOM 647 NH2 ARG A 38 -10.593 -1.810 -7.749 1.00 0.00 N ATOM 0 H ARG A 38 -14.982 2.932 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.588 3.471 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.373 3.024 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.694 1.886 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.357 0.177 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.126 1.314 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.733 1.563 -5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.964 0.427 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.801 -0.964 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.886 0.771 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.802 -0.303 -6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.390 -2.362 -8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.648 -2.065 -8.037 1.00 0.00 H new ATOM 661 N GLN A 39 -16.862 0.799 -3.962 1.00 0.00 N ATOM 662 CA GLN A 39 -17.915 -0.194 -4.151 1.00 0.00 C ATOM 663 C GLN A 39 -19.202 0.487 -4.599 1.00 0.00 C ATOM 664 O GLN A 39 -19.924 -0.029 -5.455 1.00 0.00 O ATOM 665 CB GLN A 39 -18.165 -0.967 -2.856 1.00 0.00 C ATOM 666 CG GLN A 39 -16.908 -1.555 -2.238 1.00 0.00 C ATOM 667 CD GLN A 39 -16.246 -2.622 -3.095 1.00 0.00 C ATOM 668 OE1 GLN A 39 -17.039 -3.356 -3.862 1.00 0.00 O flip ATOM 669 NE2 GLN A 39 -15.026 -2.792 -3.055 1.00 0.00 N flip ATOM 0 H GLN A 39 -16.472 0.826 -3.020 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.591 -0.895 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.637 -0.302 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.871 -1.773 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.193 -0.752 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -17.158 -1.984 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.449 -2.206 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.593 -3.519 -3.625 1.00 0.00 H new ATOM 678 N ARG A 40 -19.490 1.649 -4.013 1.00 0.00 N ATOM 679 CA ARG A 40 -20.620 2.464 -4.446 1.00 0.00 C ATOM 680 C ARG A 40 -20.453 2.844 -5.911 1.00 0.00 C ATOM 681 O ARG A 40 -21.389 2.760 -6.705 1.00 0.00 O ATOM 682 CB ARG A 40 -20.731 3.745 -3.610 1.00 0.00 C ATOM 683 CG ARG A 40 -21.616 3.645 -2.373 1.00 0.00 C ATOM 684 CD ARG A 40 -20.971 2.847 -1.252 1.00 0.00 C ATOM 685 NE ARG A 40 -21.203 1.410 -1.384 1.00 0.00 N ATOM 686 CZ ARG A 40 -21.461 0.599 -0.357 1.00 0.00 C ATOM 687 NH1 ARG A 40 -21.614 1.095 0.870 1.00 0.00 N ATOM 688 NH2 ARG A 40 -21.601 -0.704 -0.564 1.00 0.00 N ATOM 0 H ARG A 40 -18.956 2.045 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 40 -21.528 1.876 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.730 4.042 -3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.115 4.542 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.845 4.648 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -22.563 3.180 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.898 3.039 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.364 3.189 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.165 1.003 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.534 2.100 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.811 0.470 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.511 -1.083 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.798 -1.327 0.220 1.00 0.00 H new ATOM 702 N LEU A 41 -19.238 3.238 -6.265 1.00 0.00 N ATOM 703 CA LEU A 41 -18.943 3.673 -7.620 1.00 0.00 C ATOM 704 C LEU A 41 -18.976 2.491 -8.584 1.00 0.00 C ATOM 705 O LEU A 41 -19.159 2.674 -9.779 1.00 0.00 O ATOM 706 CB LEU A 41 -17.571 4.348 -7.701 1.00 0.00 C ATOM 707 CG LEU A 41 -17.188 5.256 -6.528 1.00 0.00 C ATOM 708 CD1 LEU A 41 -15.801 5.826 -6.746 1.00 0.00 C ATOM 709 CD2 LEU A 41 -18.191 6.383 -6.329 1.00 0.00 C ATOM 0 H LEU A 41 -18.440 3.265 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.709 4.395 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.813 3.570 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -17.534 4.939 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.195 4.647 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.537 6.470 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.080 5.012 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.787 6.407 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.880 7.002 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.236 6.993 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.176 5.962 -6.126 1.00 0.00 H new ATOM 721 N VAL A 42 -18.779 1.284 -8.062 1.00 0.00 N ATOM 722 CA VAL A 42 -18.824 0.072 -8.877 1.00 0.00 C ATOM 723 C VAL A 42 -20.194 -0.090 -9.527 1.00 0.00 C ATOM 724 O VAL A 42 -20.296 -0.298 -10.737 1.00 0.00 O ATOM 725 CB VAL A 42 -18.497 -1.190 -8.040 1.00 0.00 C ATOM 726 CG1 VAL A 42 -18.710 -2.458 -8.851 1.00 0.00 C ATOM 727 CG2 VAL A 42 -17.071 -1.135 -7.518 1.00 0.00 C ATOM 0 H VAL A 42 -18.586 1.118 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 42 -18.066 0.178 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 42 -19.180 -1.209 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.472 -3.327 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.750 -2.514 -9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.060 -2.444 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.863 -2.031 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.378 -1.081 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.948 -0.254 -6.888 1.00 0.00 H new ATOM 737 N GLU A 43 -21.240 0.040 -8.722 1.00 0.00 N ATOM 738 CA GLU A 43 -22.604 -0.095 -9.217 1.00 0.00 C ATOM 739 C GLU A 43 -22.963 1.059 -10.146 1.00 0.00 C ATOM 740 O GLU A 43 -23.807 0.917 -11.031 1.00 0.00 O ATOM 741 CB GLU A 43 -23.589 -0.161 -8.051 1.00 0.00 C ATOM 742 CG GLU A 43 -23.401 -1.386 -7.175 1.00 0.00 C ATOM 743 CD GLU A 43 -24.417 -1.458 -6.057 1.00 0.00 C ATOM 744 OE1 GLU A 43 -25.558 -1.892 -6.314 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.075 -1.092 -4.913 1.00 0.00 O ATOM 0 H GLU A 43 -21.171 0.239 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.668 -1.023 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -23.478 0.735 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.606 -0.156 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -23.477 -2.283 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -22.397 -1.374 -6.750 1.00 0.00 H new ATOM 752 N ARG A 44 -22.318 2.199 -9.931 1.00 0.00 N ATOM 753 CA ARG A 44 -22.506 3.366 -10.784 1.00 0.00 C ATOM 754 C ARG A 44 -21.708 3.227 -12.075 1.00 0.00 C ATOM 755 O ARG A 44 -22.069 3.784 -13.110 1.00 0.00 O ATOM 756 CB ARG A 44 -22.067 4.632 -10.043 1.00 0.00 C ATOM 757 CG ARG A 44 -22.844 4.886 -8.766 1.00 0.00 C ATOM 758 CD ARG A 44 -22.356 6.135 -8.048 1.00 0.00 C ATOM 759 NE ARG A 44 -22.472 7.334 -8.878 1.00 0.00 N ATOM 760 CZ ARG A 44 -22.216 8.570 -8.444 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.823 8.773 -7.191 1.00 0.00 N ATOM 762 NH2 ARG A 44 -22.349 9.604 -9.264 1.00 0.00 N ATOM 0 H ARG A 44 -21.656 2.340 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.564 3.439 -11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -21.006 4.554 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -22.182 5.490 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -23.903 4.991 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -22.748 4.025 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -22.931 6.273 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.315 5.999 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 44 -22.767 7.218 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.716 7.982 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.629 9.720 -6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -22.647 9.455 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.153 10.548 -8.931 1.00 0.00 H new ATOM 776 N GLY A 45 -20.619 2.478 -11.996 1.00 0.00 N ATOM 777 CA GLY A 45 -19.715 2.331 -13.119 1.00 0.00 C ATOM 778 C GLY A 45 -18.622 3.376 -13.091 1.00 0.00 C ATOM 779 O GLY A 45 -17.732 3.400 -13.943 1.00 0.00 O ATOM 0 H GLY A 45 -20.342 1.962 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.269 1.336 -13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.274 2.413 -14.051 1.00 0.00 H new ATOM 783 N ASP A 46 -18.677 4.229 -12.080 1.00 0.00 N ATOM 784 CA ASP A 46 -17.724 5.312 -11.915 1.00 0.00 C ATOM 785 C ASP A 46 -16.456 4.823 -11.230 1.00 0.00 C ATOM 786 O ASP A 46 -15.526 5.594 -10.997 1.00 0.00 O ATOM 787 CB ASP A 46 -18.355 6.446 -11.109 1.00 0.00 C ATOM 788 CG ASP A 46 -19.331 7.264 -11.929 1.00 0.00 C ATOM 789 OD1 ASP A 46 -18.993 8.406 -12.306 1.00 0.00 O ATOM 790 OD2 ASP A 46 -20.436 6.765 -12.219 1.00 0.00 O ATOM 0 H ASP A 46 -19.387 4.188 -11.349 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.454 5.684 -12.903 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -18.871 6.030 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.569 7.098 -10.728 1.00 0.00 H new ATOM 795 N ALA A 47 -16.425 3.534 -10.905 1.00 0.00 N ATOM 796 CA ALA A 47 -15.237 2.921 -10.329 1.00 0.00 C ATOM 797 C ALA A 47 -14.132 2.844 -11.372 1.00 0.00 C ATOM 798 O ALA A 47 -12.948 2.754 -11.044 1.00 0.00 O ATOM 799 CB ALA A 47 -15.558 1.539 -9.786 1.00 0.00 C ATOM 0 H ALA A 47 -17.210 2.895 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.892 3.539 -9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.657 1.097 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.323 1.620 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.925 0.907 -10.595 1.00 0.00 H new ATOM 805 N LYS A 48 -14.533 2.866 -12.635 1.00 0.00 N ATOM 806 CA LYS A 48 -13.590 2.937 -13.734 1.00 0.00 C ATOM 807 C LYS A 48 -13.444 4.383 -14.187 1.00 0.00 C ATOM 808 O LYS A 48 -12.332 4.904 -14.267 1.00 0.00 O ATOM 809 CB LYS A 48 -14.063 2.066 -14.902 1.00 0.00 C ATOM 810 CG LYS A 48 -13.095 2.049 -16.075 1.00 0.00 C ATOM 811 CD LYS A 48 -11.758 1.437 -15.685 1.00 0.00 C ATOM 812 CE LYS A 48 -10.703 1.682 -16.749 1.00 0.00 C ATOM 813 NZ LYS A 48 -11.072 1.082 -18.059 1.00 0.00 N ATOM 0 H LYS A 48 -15.511 2.835 -12.922 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.623 2.565 -13.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.211 1.046 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.032 2.428 -15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.529 1.482 -16.899 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.940 3.066 -16.435 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.426 1.860 -14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.879 0.365 -15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.557 2.755 -16.872 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.752 1.266 -16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.299 1.231 -18.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.236 0.062 -17.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.939 1.533 -18.415 1.00 0.00 H new ATOM 827 N GLY A 49 -14.569 5.039 -14.445 1.00 0.00 N ATOM 828 CA GLY A 49 -14.532 6.411 -14.916 1.00 0.00 C ATOM 829 C GLY A 49 -13.834 6.521 -16.256 1.00 0.00 C ATOM 830 O GLY A 49 -12.940 7.346 -16.440 1.00 0.00 O ATOM 0 H GLY A 49 -15.504 4.647 -14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.549 6.794 -15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.017 7.034 -14.185 1.00 0.00 H new ATOM 834 N THR A 50 -14.226 5.664 -17.184 1.00 0.00 N ATOM 835 CA THR A 50 -13.626 5.642 -18.506 1.00 0.00 C ATOM 836 C THR A 50 -14.678 5.328 -19.561 1.00 0.00 C ATOM 837 O THR A 50 -15.189 4.210 -19.631 1.00 0.00 O ATOM 838 CB THR A 50 -12.490 4.601 -18.591 1.00 0.00 C ATOM 839 OG1 THR A 50 -11.528 4.833 -17.555 1.00 0.00 O ATOM 840 CG2 THR A 50 -11.800 4.658 -19.944 1.00 0.00 C ATOM 0 H THR A 50 -14.961 4.971 -17.044 1.00 0.00 H new ATOM 0 HA THR A 50 -13.206 6.630 -18.692 1.00 0.00 H new ATOM 0 HB THR A 50 -12.931 3.612 -18.464 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.625 4.694 -17.910 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.004 3.915 -19.978 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.525 4.450 -20.731 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.376 5.651 -20.095 1.00 0.00 H new ATOM 848 N GLU A 51 -15.015 6.326 -20.357 1.00 0.00 N ATOM 849 CA GLU A 51 -15.976 6.162 -21.429 1.00 0.00 C ATOM 850 C GLU A 51 -15.606 7.057 -22.605 1.00 0.00 C ATOM 851 O GLU A 51 -15.503 8.277 -22.465 1.00 0.00 O ATOM 852 CB GLU A 51 -17.388 6.465 -20.920 1.00 0.00 C ATOM 853 CG GLU A 51 -17.525 7.806 -20.226 1.00 0.00 C ATOM 854 CD GLU A 51 -18.888 7.995 -19.597 1.00 0.00 C ATOM 855 OE1 GLU A 51 -19.014 7.797 -18.367 1.00 0.00 O ATOM 856 OE2 GLU A 51 -19.841 8.337 -20.327 1.00 0.00 O ATOM 0 H GLU A 51 -14.632 7.268 -20.278 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.958 5.128 -21.774 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.080 6.432 -21.761 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.689 5.678 -20.228 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.758 7.894 -19.457 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.347 8.604 -20.946 1.00 0.00 H new ATOM 863 N LEU A 52 -15.376 6.443 -23.753 1.00 0.00 N ATOM 864 CA LEU A 52 -14.976 7.173 -24.943 1.00 0.00 C ATOM 865 C LEU A 52 -15.576 6.527 -26.182 1.00 0.00 C ATOM 866 O LEU A 52 -15.088 5.505 -26.670 1.00 0.00 O ATOM 867 CB LEU A 52 -13.440 7.266 -25.064 1.00 0.00 C ATOM 868 CG LEU A 52 -12.668 5.939 -25.121 1.00 0.00 C ATOM 869 CD1 LEU A 52 -11.271 6.165 -25.679 1.00 0.00 C ATOM 870 CD2 LEU A 52 -12.573 5.303 -23.743 1.00 0.00 C ATOM 0 H LEU A 52 -15.460 5.435 -23.886 1.00 0.00 H new ATOM 0 HA LEU A 52 -15.357 8.190 -24.856 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.204 7.835 -25.963 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.067 7.840 -24.216 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.213 5.262 -25.778 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.735 5.216 -25.714 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.343 6.578 -26.685 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.732 6.863 -25.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.022 4.365 -23.812 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.054 5.980 -23.065 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.576 5.107 -23.363 1.00 0.00 H new ATOM 882 N ASN A 53 -16.654 7.130 -26.667 1.00 0.00 N ATOM 883 CA ASN A 53 -17.360 6.657 -27.854 1.00 0.00 C ATOM 884 C ASN A 53 -17.977 5.289 -27.603 1.00 0.00 C ATOM 885 O ASN A 53 -17.476 4.272 -28.085 1.00 0.00 O ATOM 886 CB ASN A 53 -16.434 6.598 -29.079 1.00 0.00 C ATOM 887 CG ASN A 53 -15.948 7.964 -29.532 1.00 0.00 C ATOM 888 OD1 ASN A 53 -15.772 8.883 -28.729 1.00 0.00 O ATOM 889 ND2 ASN A 53 -15.732 8.105 -30.829 1.00 0.00 N ATOM 0 H ASN A 53 -17.066 7.964 -26.248 1.00 0.00 H new ATOM 0 HA ASN A 53 -18.154 7.373 -28.065 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.572 5.973 -28.844 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.962 6.117 -29.902 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.408 8.999 -31.198 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.890 7.320 -31.461 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 14.309 -3.263 -21.117 1.00 0.00 N ATOM 898 CA GLY B 84 14.325 -4.025 -19.886 1.00 0.00 C ATOM 899 C GLY B 84 14.969 -5.385 -20.065 1.00 0.00 C ATOM 900 O GLY B 84 14.273 -6.380 -20.261 1.00 0.00 O ATOM 0 HA2 GLY B 84 14.865 -3.466 -19.122 1.00 0.00 H new ATOM 0 HA3 GLY B 84 13.304 -4.152 -19.526 1.00 0.00 H new ATOM 904 N PRO B 85 16.306 -5.455 -20.032 1.00 0.00 N ATOM 905 CA PRO B 85 17.036 -6.711 -20.173 1.00 0.00 C ATOM 906 C PRO B 85 17.084 -7.490 -18.862 1.00 0.00 C ATOM 907 O PRO B 85 16.386 -7.138 -17.908 1.00 0.00 O ATOM 908 CB PRO B 85 18.431 -6.253 -20.588 1.00 0.00 C ATOM 909 CG PRO B 85 18.598 -4.935 -19.917 1.00 0.00 C ATOM 910 CD PRO B 85 17.224 -4.313 -19.852 1.00 0.00 C ATOM 0 HA PRO B 85 16.571 -7.390 -20.887 1.00 0.00 H new ATOM 0 HB2 PRO B 85 19.194 -6.962 -20.268 1.00 0.00 H new ATOM 0 HB3 PRO B 85 18.514 -6.162 -21.671 1.00 0.00 H new ATOM 0 HG2 PRO B 85 19.016 -5.058 -18.918 1.00 0.00 H new ATOM 0 HG3 PRO B 85 19.286 -4.300 -20.475 1.00 0.00 H new ATOM 0 HD2 PRO B 85 17.057 -3.813 -18.898 1.00 0.00 H new ATOM 0 HD3 PRO B 85 17.087 -3.564 -20.632 1.00 0.00 H new ATOM 918 N LEU B 86 17.872 -8.560 -18.841 1.00 0.00 N ATOM 919 CA LEU B 86 18.098 -9.356 -17.631 1.00 0.00 C ATOM 920 C LEU B 86 18.312 -8.469 -16.397 1.00 0.00 C ATOM 921 O LEU B 86 19.371 -7.864 -16.215 1.00 0.00 O ATOM 922 CB LEU B 86 19.295 -10.305 -17.833 1.00 0.00 C ATOM 923 CG LEU B 86 20.260 -9.952 -18.978 1.00 0.00 C ATOM 924 CD1 LEU B 86 21.001 -8.652 -18.705 1.00 0.00 C ATOM 925 CD2 LEU B 86 21.249 -11.086 -19.195 1.00 0.00 C ATOM 0 H LEU B 86 18.374 -8.903 -19.660 1.00 0.00 H new ATOM 0 HA LEU B 86 17.202 -9.950 -17.452 1.00 0.00 H new ATOM 0 HB2 LEU B 86 19.864 -10.340 -16.904 1.00 0.00 H new ATOM 0 HB3 LEU B 86 18.909 -11.309 -18.008 1.00 0.00 H new ATOM 0 HG LEU B 86 19.669 -9.812 -19.883 1.00 0.00 H new ATOM 0 HD11 LEU B 86 21.673 -8.435 -19.535 1.00 0.00 H new ATOM 0 HD12 LEU B 86 20.283 -7.839 -18.598 1.00 0.00 H new ATOM 0 HD13 LEU B 86 21.579 -8.749 -17.786 1.00 0.00 H new ATOM 0 HD21 LEU B 86 21.928 -10.826 -20.008 1.00 0.00 H new ATOM 0 HD22 LEU B 86 21.822 -11.249 -18.282 1.00 0.00 H new ATOM 0 HD23 LEU B 86 20.708 -11.997 -19.451 1.00 0.00 H new ATOM 937 N GLY B 87 17.289 -8.395 -15.555 1.00 0.00 N ATOM 938 CA GLY B 87 17.322 -7.492 -14.423 1.00 0.00 C ATOM 939 C GLY B 87 17.436 -8.212 -13.099 1.00 0.00 C ATOM 940 O GLY B 87 17.251 -7.612 -12.041 1.00 0.00 O ATOM 0 H GLY B 87 16.435 -8.946 -15.637 1.00 0.00 H new ATOM 0 HA2 GLY B 87 18.165 -6.810 -14.533 1.00 0.00 H new ATOM 0 HA3 GLY B 87 16.417 -6.884 -14.423 1.00 0.00 H new ATOM 944 N SER B 88 17.743 -9.499 -13.150 1.00 0.00 N ATOM 945 CA SER B 88 17.932 -10.278 -11.938 1.00 0.00 C ATOM 946 C SER B 88 19.415 -10.382 -11.605 1.00 0.00 C ATOM 947 O SER B 88 19.830 -11.197 -10.780 1.00 0.00 O ATOM 948 CB SER B 88 17.318 -11.667 -12.101 1.00 0.00 C ATOM 949 OG SER B 88 15.952 -11.571 -12.466 1.00 0.00 O ATOM 0 H SER B 88 17.866 -10.024 -14.016 1.00 0.00 H new ATOM 0 HA SER B 88 17.428 -9.774 -11.113 1.00 0.00 H new ATOM 0 HB2 SER B 88 17.864 -12.225 -12.862 1.00 0.00 H new ATOM 0 HB3 SER B 88 17.412 -12.223 -11.168 1.00 0.00 H new ATOM 0 HG SER B 88 15.577 -12.471 -12.567 1.00 0.00 H new ATOM 955 N ARG B 89 20.208 -9.548 -12.269 1.00 0.00 N ATOM 956 CA ARG B 89 21.635 -9.460 -11.997 1.00 0.00 C ATOM 957 C ARG B 89 21.854 -8.839 -10.627 1.00 0.00 C ATOM 958 O ARG B 89 22.309 -9.509 -9.699 1.00 0.00 O ATOM 959 CB ARG B 89 22.327 -8.614 -13.068 1.00 0.00 C ATOM 960 CG ARG B 89 22.274 -9.217 -14.460 1.00 0.00 C ATOM 961 CD ARG B 89 22.882 -8.279 -15.487 1.00 0.00 C ATOM 962 NE ARG B 89 22.083 -7.064 -15.653 1.00 0.00 N ATOM 963 CZ ARG B 89 22.594 -5.863 -15.928 1.00 0.00 C ATOM 964 NH1 ARG B 89 23.902 -5.719 -16.110 1.00 0.00 N ATOM 965 NH2 ARG B 89 21.794 -4.809 -16.027 1.00 0.00 N ATOM 0 H ARG B 89 19.882 -8.920 -13.004 1.00 0.00 H new ATOM 0 HA ARG B 89 22.063 -10.463 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG B 89 21.864 -7.628 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG B 89 23.370 -8.470 -12.785 1.00 0.00 H new ATOM 0 HG2 ARG B 89 22.809 -10.166 -14.469 1.00 0.00 H new ATOM 0 HG3 ARG B 89 21.239 -9.432 -14.727 1.00 0.00 H new ATOM 0 HD2 ARG B 89 23.893 -8.010 -15.180 1.00 0.00 H new ATOM 0 HD3 ARG B 89 22.965 -8.793 -16.445 1.00 0.00 H new ATOM 0 HE ARG B 89 21.071 -7.141 -15.552 1.00 0.00 H new ATOM 0 HH11 ARG B 89 24.519 -6.528 -16.040 1.00 0.00 H new ATOM 0 HH12 ARG B 89 24.289 -4.799 -16.320 1.00 0.00 H new ATOM 0 HH21 ARG B 89 20.789 -4.917 -15.893 1.00 0.00 H new ATOM 0 HH22 ARG B 89 22.184 -3.890 -16.237 1.00 0.00 H new ATOM 979 N ARG B 90 21.510 -7.557 -10.524 1.00 0.00 N ATOM 980 CA ARG B 90 21.579 -6.807 -9.275 1.00 0.00 C ATOM 981 C ARG B 90 22.943 -6.929 -8.600 1.00 0.00 C ATOM 982 O ARG B 90 23.917 -6.307 -9.036 1.00 0.00 O ATOM 983 CB ARG B 90 20.470 -7.247 -8.318 1.00 0.00 C ATOM 984 CG ARG B 90 19.070 -6.975 -8.835 1.00 0.00 C ATOM 985 CD ARG B 90 18.874 -5.504 -9.148 1.00 0.00 C ATOM 986 NE ARG B 90 17.483 -5.188 -9.455 1.00 0.00 N ATOM 987 CZ ARG B 90 17.081 -4.021 -9.954 1.00 0.00 C ATOM 988 NH1 ARG B 90 17.972 -3.113 -10.331 1.00 0.00 N ATOM 989 NH2 ARG B 90 15.788 -3.777 -10.112 1.00 0.00 N ATOM 0 H ARG B 90 21.173 -7.006 -11.313 1.00 0.00 H new ATOM 0 HA ARG B 90 21.435 -5.756 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.574 -8.314 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.601 -6.734 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG B 90 18.890 -7.567 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG B 90 18.338 -7.292 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG B 90 19.202 -4.906 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG B 90 19.503 -5.227 -9.994 1.00 0.00 H new ATOM 0 HE ARG B 90 16.778 -5.903 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG B 90 18.969 -3.308 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG B 90 17.660 -2.220 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG B 90 15.100 -4.484 -9.851 1.00 0.00 H new ATOM 0 HH22 ARG B 90 15.481 -2.883 -10.494 1.00 0.00 H new ATOM 1003 N PHE B 91 22.999 -7.739 -7.542 1.00 0.00 N ATOM 1004 CA PHE B 91 24.211 -7.937 -6.757 1.00 0.00 C ATOM 1005 C PHE B 91 24.551 -6.665 -5.972 1.00 0.00 C ATOM 1006 O PHE B 91 23.870 -5.648 -6.119 1.00 0.00 O ATOM 1007 CB PHE B 91 25.373 -8.369 -7.667 1.00 0.00 C ATOM 1008 CG PHE B 91 26.535 -8.976 -6.937 1.00 0.00 C ATOM 1009 CD1 PHE B 91 26.332 -9.968 -5.993 1.00 0.00 C ATOM 1010 CD2 PHE B 91 27.828 -8.561 -7.204 1.00 0.00 C ATOM 1011 CE1 PHE B 91 27.398 -10.533 -5.325 1.00 0.00 C ATOM 1012 CE2 PHE B 91 28.898 -9.122 -6.538 1.00 0.00 C ATOM 1013 CZ PHE B 91 28.683 -10.108 -5.597 1.00 0.00 C ATOM 0 H PHE B 91 22.200 -8.277 -7.207 1.00 0.00 H new ATOM 0 HA PHE B 91 24.041 -8.736 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE B 91 25.000 -9.089 -8.396 1.00 0.00 H new ATOM 0 HB3 PHE B 91 25.723 -7.501 -8.226 1.00 0.00 H new ATOM 0 HD1 PHE B 91 25.328 -10.303 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE B 91 28.001 -7.791 -7.941 1.00 0.00 H new ATOM 0 HE1 PHE B 91 27.228 -11.306 -4.591 1.00 0.00 H new ATOM 0 HE2 PHE B 91 29.903 -8.790 -6.753 1.00 0.00 H new ATOM 0 HZ PHE B 91 29.519 -10.547 -5.074 1.00 0.00 H new ATOM 1023 N VAL B 92 25.588 -6.721 -5.144 1.00 0.00 N ATOM 1024 CA VAL B 92 25.936 -5.613 -4.252 1.00 0.00 C ATOM 1025 C VAL B 92 26.053 -4.274 -4.996 1.00 0.00 C ATOM 1026 O VAL B 92 25.644 -3.237 -4.477 1.00 0.00 O ATOM 1027 CB VAL B 92 27.246 -5.908 -3.478 1.00 0.00 C ATOM 1028 CG1 VAL B 92 28.423 -6.086 -4.426 1.00 0.00 C ATOM 1029 CG2 VAL B 92 27.536 -4.813 -2.461 1.00 0.00 C ATOM 0 H VAL B 92 26.209 -7.527 -5.069 1.00 0.00 H new ATOM 0 HA VAL B 92 25.116 -5.523 -3.540 1.00 0.00 H new ATOM 0 HB VAL B 92 27.106 -6.846 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL B 92 29.326 -6.291 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL B 92 28.225 -6.919 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL B 92 28.563 -5.175 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL B 92 28.460 -5.044 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL B 92 27.641 -3.858 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL B 92 26.714 -4.752 -1.747 1.00 0.00 H new ATOM 1039 N VAL B 93 26.573 -4.307 -6.220 1.00 0.00 N ATOM 1040 CA VAL B 93 26.789 -3.086 -6.990 1.00 0.00 C ATOM 1041 C VAL B 93 25.462 -2.407 -7.356 1.00 0.00 C ATOM 1042 O VAL B 93 25.287 -1.198 -7.147 1.00 0.00 O ATOM 1043 CB VAL B 93 27.626 -3.361 -8.265 1.00 0.00 C ATOM 1044 CG1 VAL B 93 26.994 -4.447 -9.126 1.00 0.00 C ATOM 1045 CG2 VAL B 93 27.822 -2.085 -9.070 1.00 0.00 C ATOM 0 H VAL B 93 26.852 -5.163 -6.699 1.00 0.00 H new ATOM 0 HA VAL B 93 27.353 -2.404 -6.353 1.00 0.00 H new ATOM 0 HB VAL B 93 28.604 -3.720 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL B 93 27.608 -4.613 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL B 93 26.926 -5.372 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL B 93 25.995 -4.134 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL B 93 28.412 -2.303 -9.960 1.00 0.00 H new ATOM 0 HG22 VAL B 93 26.851 -1.689 -9.367 1.00 0.00 H new ATOM 0 HG23 VAL B 93 28.344 -1.347 -8.461 1.00 0.00 H new ATOM 1055 N ASP B 94 24.518 -3.179 -7.878 1.00 0.00 N ATOM 1056 CA ASP B 94 23.239 -2.621 -8.289 1.00 0.00 C ATOM 1057 C ASP B 94 22.402 -2.324 -7.061 1.00 0.00 C ATOM 1058 O ASP B 94 21.877 -1.230 -6.923 1.00 0.00 O ATOM 1059 CB ASP B 94 22.490 -3.576 -9.213 1.00 0.00 C ATOM 1060 CG ASP B 94 21.782 -2.869 -10.351 1.00 0.00 C ATOM 1061 OD1 ASP B 94 20.636 -3.251 -10.674 1.00 0.00 O ATOM 1062 OD2 ASP B 94 22.373 -1.940 -10.942 1.00 0.00 O ATOM 0 H ASP B 94 24.613 -4.184 -8.025 1.00 0.00 H new ATOM 0 HA ASP B 94 23.425 -1.699 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP B 94 23.193 -4.300 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP B 94 21.759 -4.137 -8.631 1.00 0.00 H new ATOM 1067 N ASP B 95 22.337 -3.284 -6.137 1.00 0.00 N ATOM 1068 CA ASP B 95 21.552 -3.125 -4.908 1.00 0.00 C ATOM 1069 C ASP B 95 22.117 -2.024 -4.021 1.00 0.00 C ATOM 1070 O ASP B 95 21.527 -1.662 -3.010 1.00 0.00 O ATOM 1071 CB ASP B 95 21.489 -4.429 -4.111 1.00 0.00 C ATOM 1072 CG ASP B 95 20.547 -5.451 -4.711 1.00 0.00 C ATOM 1073 OD1 ASP B 95 19.337 -5.150 -4.845 1.00 0.00 O ATOM 1074 OD2 ASP B 95 21.002 -6.572 -5.018 1.00 0.00 O ATOM 0 H ASP B 95 22.818 -4.180 -6.215 1.00 0.00 H new ATOM 0 HA ASP B 95 20.544 -2.848 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP B 95 22.489 -4.858 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP B 95 21.174 -4.209 -3.091 1.00 0.00 H new ATOM 1079 N ARG B 96 23.264 -1.494 -4.389 1.00 0.00 N ATOM 1080 CA ARG B 96 23.809 -0.348 -3.692 1.00 0.00 C ATOM 1081 C ARG B 96 22.980 0.872 -4.058 1.00 0.00 C ATOM 1082 O ARG B 96 22.261 1.429 -3.229 1.00 0.00 O ATOM 1083 CB ARG B 96 25.278 -0.131 -4.066 1.00 0.00 C ATOM 1084 CG ARG B 96 25.940 1.063 -3.386 1.00 0.00 C ATOM 1085 CD ARG B 96 26.263 0.797 -1.921 1.00 0.00 C ATOM 1086 NE ARG B 96 25.081 0.812 -1.056 1.00 0.00 N ATOM 1087 CZ ARG B 96 24.844 1.750 -0.134 1.00 0.00 C ATOM 1088 NH1 ARG B 96 25.656 2.795 -0.014 1.00 0.00 N ATOM 1089 NH2 ARG B 96 23.788 1.650 0.662 1.00 0.00 N ATOM 0 H ARG B 96 23.835 -1.836 -5.162 1.00 0.00 H new ATOM 0 HA ARG B 96 23.767 -0.518 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG B 96 25.839 -1.031 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG B 96 25.348 -0.002 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG B 96 26.858 1.316 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG B 96 25.281 1.929 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.756 -0.171 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG B 96 26.971 1.548 -1.570 1.00 0.00 H new ATOM 0 HE ARG B 96 24.398 0.062 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG B 96 26.466 2.885 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG B 96 25.469 3.507 0.692 1.00 0.00 H new ATOM 0 HH21 ARG B 96 23.154 0.856 0.571 1.00 0.00 H new ATOM 0 HH22 ARG B 96 23.609 2.367 1.365 1.00 0.00 H new ATOM 1103 N ARG B 97 23.046 1.243 -5.327 1.00 0.00 N ATOM 1104 CA ARG B 97 22.299 2.384 -5.831 1.00 0.00 C ATOM 1105 C ARG B 97 20.811 2.056 -5.916 1.00 0.00 C ATOM 1106 O ARG B 97 19.981 2.757 -5.348 1.00 0.00 O ATOM 1107 CB ARG B 97 22.849 2.794 -7.206 1.00 0.00 C ATOM 1108 CG ARG B 97 22.135 3.975 -7.852 1.00 0.00 C ATOM 1109 CD ARG B 97 21.002 3.534 -8.773 1.00 0.00 C ATOM 1110 NE ARG B 97 20.362 4.678 -9.423 1.00 0.00 N ATOM 1111 CZ ARG B 97 19.542 4.589 -10.472 1.00 0.00 C ATOM 1112 NH1 ARG B 97 19.195 3.403 -10.955 1.00 0.00 N ATOM 1113 NH2 ARG B 97 19.057 5.691 -11.029 1.00 0.00 N ATOM 0 H ARG B 97 23.612 0.768 -6.030 1.00 0.00 H new ATOM 0 HA ARG B 97 22.417 3.220 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG B 97 23.906 3.039 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG B 97 22.786 1.938 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG B 97 21.735 4.625 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG B 97 22.854 4.564 -8.421 1.00 0.00 H new ATOM 0 HD2 ARG B 97 21.392 2.855 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG B 97 20.260 2.979 -8.199 1.00 0.00 H new ATOM 0 HE ARG B 97 20.556 5.607 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG B 97 19.555 2.552 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG B 97 18.568 3.343 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG B 97 19.311 6.606 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG B 97 18.430 5.624 -11.831 1.00 0.00 H new ATOM 1127 N GLU B 98 20.500 0.960 -6.591 1.00 0.00 N ATOM 1128 CA GLU B 98 19.125 0.584 -6.909 1.00 0.00 C ATOM 1129 C GLU B 98 18.254 0.383 -5.677 1.00 0.00 C ATOM 1130 O GLU B 98 17.116 0.850 -5.645 1.00 0.00 O ATOM 1131 CB GLU B 98 19.123 -0.691 -7.737 1.00 0.00 C ATOM 1132 CG GLU B 98 19.408 -0.457 -9.209 1.00 0.00 C ATOM 1133 CD GLU B 98 18.241 0.202 -9.919 1.00 0.00 C ATOM 1134 OE1 GLU B 98 17.613 -0.451 -10.784 1.00 0.00 O ATOM 1135 OE2 GLU B 98 17.929 1.366 -9.606 1.00 0.00 O ATOM 0 H GLU B 98 21.197 0.300 -6.937 1.00 0.00 H new ATOM 0 HA GLU B 98 18.697 1.414 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU B 98 19.869 -1.377 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU B 98 18.154 -1.179 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU B 98 20.294 0.169 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU B 98 19.633 -1.409 -9.690 1.00 0.00 H new ATOM 1142 N LEU B 99 18.771 -0.315 -4.674 1.00 0.00 N ATOM 1143 CA LEU B 99 17.974 -0.626 -3.496 1.00 0.00 C ATOM 1144 C LEU B 99 17.567 0.652 -2.780 1.00 0.00 C ATOM 1145 O LEU B 99 16.384 0.895 -2.588 1.00 0.00 O ATOM 1146 CB LEU B 99 18.729 -1.572 -2.556 1.00 0.00 C ATOM 1147 CG LEU B 99 17.943 -2.146 -1.367 1.00 0.00 C ATOM 1148 CD1 LEU B 99 17.930 -1.169 -0.204 1.00 0.00 C ATOM 1149 CD2 LEU B 99 16.520 -2.501 -1.773 1.00 0.00 C ATOM 0 H LEU B 99 19.726 -0.672 -4.652 1.00 0.00 H new ATOM 0 HA LEU B 99 17.068 -1.139 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU B 99 19.107 -2.406 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU B 99 19.596 -1.040 -2.164 1.00 0.00 H new ATOM 0 HG LEU B 99 18.446 -3.058 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU B 99 17.368 -1.598 0.625 1.00 0.00 H new ATOM 0 HD12 LEU B 99 18.953 -0.970 0.116 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.460 -0.237 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.986 -2.905 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.009 -1.606 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.544 -3.246 -2.568 1.00 0.00 H new ATOM 1161 N GLN B 100 18.531 1.488 -2.409 1.00 0.00 N ATOM 1162 CA GLN B 100 18.194 2.729 -1.721 1.00 0.00 C ATOM 1163 C GLN B 100 17.400 3.654 -2.646 1.00 0.00 C ATOM 1164 O GLN B 100 16.546 4.413 -2.191 1.00 0.00 O ATOM 1165 CB GLN B 100 19.448 3.433 -1.191 1.00 0.00 C ATOM 1166 CG GLN B 100 20.507 3.704 -2.243 1.00 0.00 C ATOM 1167 CD GLN B 100 21.730 4.396 -1.674 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.637 5.172 -0.721 1.00 0.00 O ATOM 1169 NE2 GLN B 100 22.891 4.106 -2.238 1.00 0.00 N ATOM 0 H GLN B 100 19.527 1.336 -2.568 1.00 0.00 H new ATOM 0 HA GLN B 100 17.571 2.479 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN B 100 19.154 4.379 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.886 2.823 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.808 2.762 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN B 100 20.079 4.321 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN B 100 22.928 3.459 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN B 100 23.749 4.530 -1.885 1.00 0.00 H new ATOM 1178 N TYR B 101 17.667 3.553 -3.946 1.00 0.00 N ATOM 1179 CA TYR B 101 16.968 4.353 -4.948 1.00 0.00 C ATOM 1180 C TYR B 101 15.483 4.009 -4.989 1.00 0.00 C ATOM 1181 O TYR B 101 14.642 4.893 -5.130 1.00 0.00 O ATOM 1182 CB TYR B 101 17.583 4.137 -6.335 1.00 0.00 C ATOM 1183 CG TYR B 101 17.043 5.068 -7.401 1.00 0.00 C ATOM 1184 CD1 TYR B 101 17.530 6.362 -7.519 1.00 0.00 C ATOM 1185 CD2 TYR B 101 16.053 4.658 -8.287 1.00 0.00 C ATOM 1186 CE1 TYR B 101 17.049 7.222 -8.485 1.00 0.00 C ATOM 1187 CE2 TYR B 101 15.565 5.514 -9.258 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.067 6.795 -9.352 1.00 0.00 C ATOM 1189 OH TYR B 101 15.585 7.652 -10.317 1.00 0.00 O ATOM 0 H TYR B 101 18.368 2.920 -4.332 1.00 0.00 H new ATOM 0 HA TYR B 101 17.076 5.400 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.663 4.268 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.405 3.107 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.300 6.702 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.659 3.655 -8.216 1.00 0.00 H new ATOM 0 HE1 TYR B 101 17.441 8.226 -8.561 1.00 0.00 H new ATOM 0 HE2 TYR B 101 14.795 5.181 -9.939 1.00 0.00 H new ATOM 0 HH TYR B 101 14.898 7.196 -10.846 1.00 0.00 H new ATOM 1199 N ARG B 102 15.163 2.722 -4.861 1.00 0.00 N ATOM 1200 CA ARG B 102 13.775 2.275 -4.935 1.00 0.00 C ATOM 1201 C ARG B 102 13.022 2.656 -3.667 1.00 0.00 C ATOM 1202 O ARG B 102 11.802 2.755 -3.673 1.00 0.00 O ATOM 1203 CB ARG B 102 13.683 0.762 -5.189 1.00 0.00 C ATOM 1204 CG ARG B 102 13.997 -0.102 -3.981 1.00 0.00 C ATOM 1205 CD ARG B 102 14.072 -1.573 -4.355 1.00 0.00 C ATOM 1206 NE ARG B 102 12.830 -2.060 -4.954 1.00 0.00 N ATOM 1207 CZ ARG B 102 12.752 -3.144 -5.726 1.00 0.00 C ATOM 1208 NH1 ARG B 102 13.841 -3.858 -5.995 1.00 0.00 N ATOM 1209 NH2 ARG B 102 11.581 -3.516 -6.222 1.00 0.00 N ATOM 0 H ARG B 102 15.841 1.976 -4.707 1.00 0.00 H new ATOM 0 HA ARG B 102 13.308 2.779 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG B 102 12.677 0.526 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG B 102 14.369 0.500 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG B 102 14.945 0.212 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG B 102 13.231 0.043 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG B 102 14.894 -1.726 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG B 102 14.298 -2.160 -3.465 1.00 0.00 H new ATOM 0 HE ARG B 102 11.972 -1.539 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG B 102 14.743 -3.577 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG B 102 13.774 -4.686 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG B 102 10.743 -2.973 -6.013 1.00 0.00 H new ATOM 0 HH22 ARG B 102 11.518 -4.345 -6.813 1.00 0.00 H new ATOM 1223 N VAL B 103 13.749 2.888 -2.587 1.00 0.00 N ATOM 1224 CA VAL B 103 13.125 3.277 -1.332 1.00 0.00 C ATOM 1225 C VAL B 103 12.695 4.745 -1.390 1.00 0.00 C ATOM 1226 O VAL B 103 11.551 5.074 -1.083 1.00 0.00 O ATOM 1227 CB VAL B 103 14.074 3.050 -0.138 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.318 3.117 1.173 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.795 1.718 -0.252 1.00 0.00 C ATOM 0 H VAL B 103 14.766 2.815 -2.553 1.00 0.00 H new ATOM 0 HA VAL B 103 12.245 2.650 -1.186 1.00 0.00 H new ATOM 0 HB VAL B 103 14.818 3.847 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL B 103 14.009 2.954 2.000 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.854 4.098 1.276 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.546 2.347 1.188 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.456 1.588 0.605 1.00 0.00 H new ATOM 0 HG22 VAL B 103 14.064 0.909 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL B 103 15.382 1.700 -1.170 1.00 0.00 H new ATOM 1239 N GLU B 104 13.606 5.618 -1.815 1.00 0.00 N ATOM 1240 CA GLU B 104 13.294 7.043 -1.951 1.00 0.00 C ATOM 1241 C GLU B 104 12.160 7.295 -2.944 1.00 0.00 C ATOM 1242 O GLU B 104 11.312 8.154 -2.702 1.00 0.00 O ATOM 1243 CB GLU B 104 14.533 7.855 -2.343 1.00 0.00 C ATOM 1244 CG GLU B 104 15.479 7.114 -3.261 1.00 0.00 C ATOM 1245 CD GLU B 104 16.567 7.997 -3.835 1.00 0.00 C ATOM 1246 OE1 GLU B 104 16.446 8.413 -5.009 1.00 0.00 O ATOM 1247 OE2 GLU B 104 17.551 8.274 -3.118 1.00 0.00 O ATOM 0 H GLU B 104 14.561 5.368 -2.070 1.00 0.00 H new ATOM 0 HA GLU B 104 12.957 7.378 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU B 104 14.214 8.776 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU B 104 15.069 8.143 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.939 6.292 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.910 6.672 -4.079 1.00 0.00 H new ATOM 1254 N VAL B 105 12.128 6.561 -4.055 1.00 0.00 N ATOM 1255 CA VAL B 105 11.017 6.693 -4.989 1.00 0.00 C ATOM 1256 C VAL B 105 9.725 6.246 -4.325 1.00 0.00 C ATOM 1257 O VAL B 105 8.709 6.910 -4.452 1.00 0.00 O ATOM 1258 CB VAL B 105 11.239 5.936 -6.326 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.886 4.593 -6.112 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.945 5.744 -7.079 1.00 0.00 C ATOM 0 H VAL B 105 12.842 5.884 -4.325 1.00 0.00 H new ATOM 0 HA VAL B 105 10.950 7.749 -5.251 1.00 0.00 H new ATOM 0 HB VAL B 105 11.909 6.560 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.023 4.098 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.855 4.728 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.249 3.979 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL B 105 10.141 5.211 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.251 5.166 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL B 105 9.507 6.717 -7.304 1.00 0.00 H new ATOM 1270 N GLN B 106 9.772 5.147 -3.579 1.00 0.00 N ATOM 1271 CA GLN B 106 8.599 4.687 -2.846 1.00 0.00 C ATOM 1272 C GLN B 106 8.115 5.765 -1.879 1.00 0.00 C ATOM 1273 O GLN B 106 6.922 6.043 -1.805 1.00 0.00 O ATOM 1274 CB GLN B 106 8.897 3.380 -2.104 1.00 0.00 C ATOM 1275 CG GLN B 106 9.023 2.175 -3.026 1.00 0.00 C ATOM 1276 CD GLN B 106 7.789 1.947 -3.883 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.875 1.218 -3.497 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.756 2.562 -5.056 1.00 0.00 N ATOM 0 H GLN B 106 10.601 4.564 -3.467 1.00 0.00 H new ATOM 0 HA GLN B 106 7.803 4.490 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.823 3.494 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN B 106 8.104 3.193 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.888 2.311 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN B 106 9.211 1.284 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN B 106 8.533 3.158 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.954 2.439 -5.674 1.00 0.00 H new ATOM 1287 N ASN B 107 9.053 6.388 -1.167 1.00 0.00 N ATOM 1288 CA ASN B 107 8.745 7.516 -0.282 1.00 0.00 C ATOM 1289 C ASN B 107 7.981 8.609 -1.037 1.00 0.00 C ATOM 1290 O ASN B 107 6.960 9.112 -0.565 1.00 0.00 O ATOM 1291 CB ASN B 107 10.041 8.092 0.300 1.00 0.00 C ATOM 1292 CG ASN B 107 9.814 9.311 1.181 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.711 9.332 1.914 1.00 0.00 O flip ATOM 1294 ND2 ASN B 107 10.640 10.225 1.209 1.00 0.00 N flip ATOM 0 H ASN B 107 10.040 6.130 -1.185 1.00 0.00 H new ATOM 0 HA ASN B 107 8.114 7.154 0.530 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.545 7.320 0.882 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.710 8.362 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN B 107 11.478 10.173 0.630 1.00 0.00 H new ATOM 0 HD22 ASN B 107 10.486 11.034 1.811 1.00 0.00 H new ATOM 1301 N ARG B 108 8.478 8.955 -2.219 1.00 0.00 N ATOM 1302 CA ARG B 108 7.875 9.996 -3.049 1.00 0.00 C ATOM 1303 C ARG B 108 6.527 9.558 -3.613 1.00 0.00 C ATOM 1304 O ARG B 108 5.525 10.256 -3.469 1.00 0.00 O ATOM 1305 CB ARG B 108 8.816 10.344 -4.200 1.00 0.00 C ATOM 1306 CG ARG B 108 10.136 10.932 -3.743 1.00 0.00 C ATOM 1307 CD ARG B 108 11.087 11.147 -4.904 1.00 0.00 C ATOM 1308 NE ARG B 108 12.359 11.708 -4.460 1.00 0.00 N ATOM 1309 CZ ARG B 108 13.460 11.750 -5.204 1.00 0.00 C ATOM 1310 NH1 ARG B 108 13.459 11.252 -6.434 1.00 0.00 N ATOM 1311 NH2 ARG B 108 14.567 12.288 -4.710 1.00 0.00 N ATOM 0 H ARG B 108 9.307 8.525 -2.629 1.00 0.00 H new ATOM 0 HA ARG B 108 7.710 10.870 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG B 108 9.011 9.445 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.321 11.054 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.956 11.882 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.597 10.267 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.264 10.198 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG B 108 10.628 11.816 -5.632 1.00 0.00 H new ATOM 0 HE ARG B 108 12.406 12.093 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.610 10.834 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG B 108 14.307 11.288 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG B 108 14.571 12.667 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG B 108 15.414 12.323 -5.277 1.00 0.00 H new ATOM 1325 N VAL B 109 6.523 8.400 -4.259 1.00 0.00 N ATOM 1326 CA VAL B 109 5.337 7.865 -4.918 1.00 0.00 C ATOM 1327 C VAL B 109 4.172 7.732 -3.950 1.00 0.00 C ATOM 1328 O VAL B 109 3.042 8.100 -4.276 1.00 0.00 O ATOM 1329 CB VAL B 109 5.631 6.493 -5.561 1.00 0.00 C ATOM 1330 CG1 VAL B 109 4.383 5.896 -6.187 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.734 6.626 -6.595 1.00 0.00 C ATOM 0 H VAL B 109 7.345 7.802 -4.342 1.00 0.00 H new ATOM 0 HA VAL B 109 5.061 8.574 -5.699 1.00 0.00 H new ATOM 0 HB VAL B 109 5.963 5.815 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.625 4.930 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.620 5.762 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL B 109 4.007 6.567 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.933 5.652 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL B 109 6.423 7.325 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.640 6.997 -6.115 1.00 0.00 H new ATOM 1341 N TYR B 110 4.455 7.223 -2.760 1.00 0.00 N ATOM 1342 CA TYR B 110 3.428 7.054 -1.742 1.00 0.00 C ATOM 1343 C TYR B 110 2.835 8.401 -1.339 1.00 0.00 C ATOM 1344 O TYR B 110 1.634 8.510 -1.084 1.00 0.00 O ATOM 1345 CB TYR B 110 3.993 6.344 -0.510 1.00 0.00 C ATOM 1346 CG TYR B 110 4.374 4.892 -0.726 1.00 0.00 C ATOM 1347 CD1 TYR B 110 5.196 4.239 0.182 1.00 0.00 C ATOM 1348 CD2 TYR B 110 3.913 4.175 -1.823 1.00 0.00 C ATOM 1349 CE1 TYR B 110 5.547 2.916 0.006 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.261 2.853 -2.006 1.00 0.00 C ATOM 1351 CZ TYR B 110 5.076 2.227 -1.088 1.00 0.00 C ATOM 1352 OH TYR B 110 5.427 0.910 -1.268 1.00 0.00 O ATOM 0 H TYR B 110 5.386 6.920 -2.475 1.00 0.00 H new ATOM 0 HA TYR B 110 2.637 6.437 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.873 6.888 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.255 6.395 0.291 1.00 0.00 H new ATOM 0 HD1 TYR B 110 5.568 4.776 1.042 1.00 0.00 H new ATOM 0 HD2 TYR B 110 3.272 4.660 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR B 110 6.188 2.424 0.723 1.00 0.00 H new ATOM 0 HE2 TYR B 110 3.896 2.310 -2.866 1.00 0.00 H new ATOM 0 HH TYR B 110 6.047 0.837 -2.024 1.00 0.00 H new ATOM 1362 N LYS B 111 3.679 9.427 -1.292 1.00 0.00 N ATOM 1363 CA LYS B 111 3.223 10.778 -0.977 1.00 0.00 C ATOM 1364 C LYS B 111 2.254 11.258 -2.045 1.00 0.00 C ATOM 1365 O LYS B 111 1.191 11.803 -1.746 1.00 0.00 O ATOM 1366 CB LYS B 111 4.410 11.745 -0.886 1.00 0.00 C ATOM 1367 CG LYS B 111 3.995 13.182 -0.608 1.00 0.00 C ATOM 1368 CD LYS B 111 5.157 14.155 -0.737 1.00 0.00 C ATOM 1369 CE LYS B 111 6.226 13.910 0.315 1.00 0.00 C ATOM 1370 NZ LYS B 111 7.286 14.951 0.272 1.00 0.00 N ATOM 0 H LYS B 111 4.681 9.350 -1.468 1.00 0.00 H new ATOM 0 HA LYS B 111 2.719 10.754 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS B 111 5.083 11.410 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.971 11.710 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.205 13.470 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.578 13.249 0.397 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.598 14.063 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS B 111 4.786 15.176 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS B 111 5.768 13.897 1.304 1.00 0.00 H new ATOM 0 HE3 LYS B 111 6.673 12.928 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 7.998 14.752 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 7.740 14.946 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 6.863 15.885 0.446 1.00 0.00 H new ATOM 1384 N LYS B 112 2.630 11.026 -3.294 1.00 0.00 N ATOM 1385 CA LYS B 112 1.827 11.432 -4.436 1.00 0.00 C ATOM 1386 C LYS B 112 0.464 10.743 -4.412 1.00 0.00 C ATOM 1387 O LYS B 112 -0.545 11.332 -4.803 1.00 0.00 O ATOM 1388 CB LYS B 112 2.577 11.104 -5.727 1.00 0.00 C ATOM 1389 CG LYS B 112 3.945 11.764 -5.805 1.00 0.00 C ATOM 1390 CD LYS B 112 4.785 11.200 -6.939 1.00 0.00 C ATOM 1391 CE LYS B 112 4.152 11.454 -8.296 1.00 0.00 C ATOM 1392 NZ LYS B 112 4.002 12.907 -8.578 1.00 0.00 N ATOM 0 H LYS B 112 3.498 10.552 -3.543 1.00 0.00 H new ATOM 0 HA LYS B 112 1.656 12.507 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.696 10.023 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.977 11.422 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.822 12.838 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.470 11.623 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.778 11.649 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.916 10.128 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS B 112 4.764 10.995 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS B 112 3.174 10.974 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 3.743 13.042 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 3.257 13.303 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 4.901 13.393 -8.385 1.00 0.00 H new ATOM 1406 N GLU B 113 0.438 9.504 -3.926 1.00 0.00 N ATOM 1407 CA GLU B 113 -0.814 8.771 -3.792 1.00 0.00 C ATOM 1408 C GLU B 113 -1.724 9.469 -2.798 1.00 0.00 C ATOM 1409 O GLU B 113 -2.879 9.738 -3.097 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.579 7.330 -3.336 1.00 0.00 C ATOM 1411 CG GLU B 113 0.334 6.539 -4.257 1.00 0.00 C ATOM 1412 CD GLU B 113 0.260 5.047 -4.013 1.00 0.00 C ATOM 1413 OE1 GLU B 113 1.225 4.479 -3.466 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -0.763 4.429 -4.379 1.00 0.00 O ATOM 0 H GLU B 113 1.265 8.991 -3.621 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.286 8.747 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.149 7.341 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.539 6.820 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU B 113 0.067 6.747 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU B 113 1.362 6.875 -4.119 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.186 9.777 -1.623 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.950 10.423 -0.562 1.00 0.00 C ATOM 1423 C ILE B 114 -2.575 11.734 -1.026 1.00 0.00 C ATOM 1424 O ILE B 114 -3.690 12.070 -0.630 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.056 10.679 0.661 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.541 9.341 1.186 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -1.812 11.440 1.743 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.414 9.470 2.343 1.00 0.00 C ATOM 0 H ILE B 114 -0.214 9.587 -1.380 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.758 9.745 -0.288 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.210 11.300 0.366 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.390 8.731 1.494 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.044 8.810 0.374 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.155 11.607 2.597 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.145 12.400 1.348 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.678 10.858 2.060 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.736 8.479 2.661 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.282 10.052 2.035 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.084 9.973 3.172 1.00 0.00 H new ATOM 1440 N GLN B 115 -1.861 12.462 -1.870 1.00 0.00 N ATOM 1441 CA GLN B 115 -2.377 13.699 -2.431 1.00 0.00 C ATOM 1442 C GLN B 115 -3.608 13.411 -3.281 1.00 0.00 C ATOM 1443 O GLN B 115 -4.654 14.050 -3.134 1.00 0.00 O ATOM 1444 CB GLN B 115 -1.303 14.376 -3.261 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.019 14.556 -2.485 1.00 0.00 C ATOM 1446 CD GLN B 115 0.934 15.523 -3.145 1.00 0.00 C ATOM 1447 OE1 GLN B 115 0.984 15.637 -4.369 1.00 0.00 O ATOM 1448 NE2 GLN B 115 1.686 16.238 -2.333 1.00 0.00 N ATOM 0 H GLN B 115 -0.921 12.217 -2.181 1.00 0.00 H new ATOM 0 HA GLN B 115 -2.665 14.369 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -1.107 13.783 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -1.663 15.348 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.253 14.912 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.471 13.589 -2.374 1.00 0.00 H new ATOM 0 HE21 GLN B 115 1.611 16.110 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN B 115 2.343 16.919 -2.714 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.474 12.425 -4.157 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.590 11.950 -4.965 1.00 0.00 C ATOM 1459 C ALA B 116 -5.728 11.483 -4.071 1.00 0.00 C ATOM 1460 O ALA B 116 -6.882 11.861 -4.259 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.135 10.810 -5.862 1.00 0.00 C ATOM 0 H ALA B 116 -2.596 11.935 -4.327 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.946 12.772 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -4.976 10.461 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.340 11.160 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.763 9.990 -5.248 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.372 10.685 -3.077 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.332 10.107 -2.149 1.00 0.00 C ATOM 1469 C LEU B 117 -7.028 11.181 -1.327 1.00 0.00 C ATOM 1470 O LEU B 117 -8.125 10.966 -0.838 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.629 9.114 -1.220 1.00 0.00 C ATOM 1472 CG LEU B 117 -4.913 7.963 -1.929 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.142 7.120 -0.934 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -5.898 7.100 -2.698 1.00 0.00 C ATOM 0 H LEU B 117 -4.405 10.419 -2.890 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.090 9.586 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.902 9.657 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.366 8.696 -0.534 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.209 8.394 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.640 6.307 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.400 7.740 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.830 6.706 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.363 6.289 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.632 6.683 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.407 7.708 -3.446 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.390 12.336 -1.180 1.00 0.00 N ATOM 1487 CA ASP B 118 -6.988 13.445 -0.441 1.00 0.00 C ATOM 1488 C ASP B 118 -8.230 13.948 -1.169 1.00 0.00 C ATOM 1489 O ASP B 118 -9.175 14.447 -0.551 1.00 0.00 O ATOM 1490 CB ASP B 118 -5.978 14.578 -0.242 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.526 15.707 0.615 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -6.994 16.717 0.053 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -6.469 15.599 1.856 1.00 0.00 O ATOM 0 H ASP B 118 -5.464 12.530 -1.560 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.282 13.086 0.545 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.077 14.179 0.223 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.686 14.974 -1.215 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.229 13.800 -2.491 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.424 14.063 -3.283 1.00 0.00 C ATOM 1500 C ALA B 119 -10.499 13.034 -2.948 1.00 0.00 C ATOM 1501 O ALA B 119 -11.683 13.356 -2.817 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.102 14.035 -4.770 1.00 0.00 C ATOM 0 H ALA B 119 -7.418 13.501 -3.033 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.796 15.058 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.008 14.234 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.356 14.797 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.711 13.054 -5.039 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.076 11.789 -2.783 1.00 0.00 N ATOM 1509 CA GLU B 120 -10.970 10.736 -2.361 1.00 0.00 C ATOM 1510 C GLU B 120 -11.428 10.961 -0.922 1.00 0.00 C ATOM 1511 O GLU B 120 -12.494 10.516 -0.526 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.300 9.379 -2.488 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.325 8.768 -3.879 1.00 0.00 C ATOM 1514 CD GLU B 120 -9.683 9.635 -4.938 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -10.421 10.362 -5.631 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -8.452 9.569 -5.101 1.00 0.00 O ATOM 0 H GLU B 120 -9.113 11.489 -2.937 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.844 10.756 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.262 9.474 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -10.783 8.688 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -9.814 7.805 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.359 8.572 -4.161 1.00 0.00 H new ATOM 1523 N ILE B 121 -10.612 11.629 -0.124 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.027 12.015 1.215 1.00 0.00 C ATOM 1525 C ILE B 121 -12.323 12.825 1.146 1.00 0.00 C ATOM 1526 O ILE B 121 -13.167 12.721 2.026 1.00 0.00 O ATOM 1527 CB ILE B 121 -9.912 12.797 1.965 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.103 11.852 2.861 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -10.480 13.939 2.793 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.455 10.703 2.124 1.00 0.00 C ATOM 0 H ILE B 121 -9.666 11.914 -0.377 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.211 11.106 1.788 1.00 0.00 H new ATOM 0 HB ILE B 121 -9.254 13.227 1.210 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -8.328 12.426 3.369 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -9.760 11.450 3.632 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -9.668 14.459 3.301 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.005 14.636 2.140 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -11.175 13.541 3.533 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -7.903 10.083 2.830 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.224 10.102 1.638 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -7.770 11.094 1.371 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.493 13.586 0.067 1.00 0.00 N ATOM 1543 CA ARG B 122 -13.726 14.339 -0.151 1.00 0.00 C ATOM 1544 C ARG B 122 -14.931 13.401 -0.241 1.00 0.00 C ATOM 1545 O ARG B 122 -15.954 13.636 0.403 1.00 0.00 O ATOM 1546 CB ARG B 122 -13.621 15.186 -1.421 1.00 0.00 C ATOM 1547 CG ARG B 122 -14.917 15.888 -1.798 1.00 0.00 C ATOM 1548 CD ARG B 122 -14.744 16.738 -3.045 1.00 0.00 C ATOM 1549 NE ARG B 122 -14.269 15.956 -4.186 1.00 0.00 N ATOM 1550 CZ ARG B 122 -13.860 16.490 -5.335 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -13.882 17.807 -5.507 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -13.434 15.705 -6.316 1.00 0.00 N ATOM 0 H ARG B 122 -11.795 13.697 -0.668 1.00 0.00 H new ATOM 0 HA ARG B 122 -13.870 15.002 0.702 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.840 15.934 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.310 14.548 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -15.698 15.147 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.246 16.516 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -15.695 17.206 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -14.038 17.542 -2.839 1.00 0.00 H new ATOM 0 HE ARG B 122 -14.250 14.940 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -14.213 18.414 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -13.568 18.211 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -13.420 14.693 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -13.121 16.114 -7.196 1.00 0.00 H new ATOM 1566 N LYS B 123 -14.810 12.336 -1.035 1.00 0.00 N ATOM 1567 CA LYS B 123 -15.893 11.351 -1.148 1.00 0.00 C ATOM 1568 C LYS B 123 -16.106 10.657 0.193 1.00 0.00 C ATOM 1569 O LYS B 123 -17.228 10.321 0.567 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.601 10.317 -2.247 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.557 9.275 -1.872 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.732 8.839 -3.071 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.578 8.227 -4.165 1.00 0.00 C ATOM 1574 NZ LYS B 123 -13.857 8.202 -5.466 1.00 0.00 N ATOM 0 H LYS B 123 -13.987 12.133 -1.602 1.00 0.00 H new ATOM 0 HA LYS B 123 -16.804 11.880 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.529 9.807 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.267 10.842 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -13.897 9.683 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.052 8.406 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.195 9.699 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -12.982 8.116 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -14.858 7.212 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.502 8.795 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -14.540 8.309 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -13.171 8.983 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -13.356 7.296 -5.568 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.016 10.460 0.916 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.076 9.900 2.256 1.00 0.00 C ATOM 1590 C LEU B 124 -15.838 10.826 3.191 1.00 0.00 C ATOM 1591 O LEU B 124 -16.666 10.378 3.973 1.00 0.00 O ATOM 1592 CB LEU B 124 -13.673 9.653 2.802 1.00 0.00 C ATOM 1593 CG LEU B 124 -12.898 8.524 2.129 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -11.529 8.373 2.776 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -13.677 7.224 2.218 1.00 0.00 C ATOM 0 H LEU B 124 -14.073 10.681 0.595 1.00 0.00 H new ATOM 0 HA LEU B 124 -15.602 8.947 2.198 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.097 10.573 2.706 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -13.749 9.434 3.867 1.00 0.00 H new ATOM 0 HG LEU B 124 -12.760 8.769 1.076 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.983 7.565 2.289 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.971 9.303 2.669 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.650 8.143 3.834 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.112 6.427 1.734 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -13.840 6.968 3.265 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -14.639 7.341 1.719 1.00 0.00 H new ATOM 1607 N GLU B 125 -15.570 12.121 3.095 1.00 0.00 N ATOM 1608 CA GLU B 125 -16.256 13.109 3.916 1.00 0.00 C ATOM 1609 C GLU B 125 -17.754 13.117 3.620 1.00 0.00 C ATOM 1610 O GLU B 125 -18.559 13.564 4.438 1.00 0.00 O ATOM 1611 CB GLU B 125 -15.649 14.495 3.696 1.00 0.00 C ATOM 1612 CG GLU B 125 -14.184 14.568 4.094 1.00 0.00 C ATOM 1613 CD GLU B 125 -13.568 15.934 3.861 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -13.171 16.229 2.713 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -13.464 16.716 4.832 1.00 0.00 O ATOM 0 H GLU B 125 -14.880 12.513 2.454 1.00 0.00 H new ATOM 0 HA GLU B 125 -16.125 12.838 4.964 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -15.749 14.768 2.645 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -16.214 15.229 4.271 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -14.087 14.308 5.148 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -13.623 13.823 3.529 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.125 12.613 2.449 1.00 0.00 N ATOM 1623 CA ARG B 126 -19.532 12.426 2.109 1.00 0.00 C ATOM 1624 C ARG B 126 -20.124 11.294 2.950 1.00 0.00 C ATOM 1625 O ARG B 126 -21.322 11.254 3.208 1.00 0.00 O ATOM 1626 CB ARG B 126 -19.706 12.117 0.619 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.229 13.230 -0.305 1.00 0.00 C ATOM 1628 CD ARG B 126 -19.982 14.529 -0.065 1.00 0.00 C ATOM 1629 NE ARG B 126 -21.426 14.375 -0.241 1.00 0.00 N ATOM 1630 CZ ARG B 126 -22.263 15.384 -0.482 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -21.799 16.618 -0.624 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -23.565 15.156 -0.591 1.00 0.00 N ATOM 0 H ARG B 126 -17.473 12.327 1.719 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.061 13.354 2.326 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -19.161 11.203 0.382 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -20.759 11.920 0.420 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.162 13.395 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -19.359 12.921 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -19.777 14.884 0.945 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.614 15.292 -0.751 1.00 0.00 H new ATOM 0 HE ARG B 126 -21.817 13.435 -0.175 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -20.798 16.798 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -22.443 17.387 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -23.927 14.208 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -24.204 15.929 -0.775 1.00 0.00 H new ATOM 1646 N LEU B 127 -19.274 10.375 3.375 1.00 0.00 N ATOM 1647 CA LEU B 127 -19.679 9.321 4.294 1.00 0.00 C ATOM 1648 C LEU B 127 -19.675 9.849 5.724 1.00 0.00 C ATOM 1649 O LEU B 127 -20.720 9.914 6.365 1.00 0.00 O ATOM 1650 CB LEU B 127 -18.741 8.114 4.173 1.00 0.00 C ATOM 1651 CG LEU B 127 -18.934 7.020 5.228 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -20.325 6.417 5.137 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -17.869 5.943 5.076 1.00 0.00 C ATOM 0 H LEU B 127 -18.293 10.336 3.097 1.00 0.00 H new ATOM 0 HA LEU B 127 -20.688 9.001 4.036 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -18.874 7.670 3.186 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -17.712 8.469 4.227 1.00 0.00 H new ATOM 0 HG LEU B 127 -18.829 7.474 6.214 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.436 5.643 5.896 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -21.070 7.195 5.300 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -20.468 5.979 4.149 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -18.020 5.173 5.833 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -17.942 5.497 4.084 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -16.882 6.387 5.202 1.00 0.00 H new ATOM 1665 N LEU B 128 -18.490 10.225 6.196 1.00 0.00 N ATOM 1666 CA LEU B 128 -18.300 10.806 7.516 1.00 0.00 C ATOM 1667 C LEU B 128 -19.389 11.815 7.874 1.00 0.00 C ATOM 1668 O LEU B 128 -20.121 11.635 8.846 1.00 0.00 O ATOM 1669 CB LEU B 128 -16.942 11.505 7.561 1.00 0.00 C ATOM 1670 CG LEU B 128 -15.711 10.600 7.700 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -15.595 9.593 6.569 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -14.459 11.453 7.774 1.00 0.00 C ATOM 0 H LEU B 128 -17.625 10.132 5.663 1.00 0.00 H new ATOM 0 HA LEU B 128 -18.351 9.995 8.242 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -16.831 12.094 6.651 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -16.946 12.206 8.396 1.00 0.00 H new ATOM 0 HG LEU B 128 -15.827 10.028 8.620 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -14.707 8.979 6.718 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -16.479 8.955 6.558 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -15.516 10.121 5.619 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -13.585 10.809 7.873 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -14.370 12.048 6.865 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -14.521 12.116 8.637 1.00 0.00 H new ATOM 1684 N GLU B 129 -19.486 12.873 7.086 1.00 0.00 N ATOM 1685 CA GLU B 129 -20.390 13.971 7.398 1.00 0.00 C ATOM 1686 C GLU B 129 -21.794 13.769 6.829 1.00 0.00 C ATOM 1687 O GLU B 129 -22.783 14.017 7.516 1.00 0.00 O ATOM 1688 CB GLU B 129 -19.816 15.281 6.870 1.00 0.00 C ATOM 1689 CG GLU B 129 -18.418 15.580 7.378 1.00 0.00 C ATOM 1690 CD GLU B 129 -17.921 16.934 6.927 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -17.331 17.022 5.829 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -18.120 17.919 7.665 1.00 0.00 O ATOM 0 H GLU B 129 -18.951 12.996 6.226 1.00 0.00 H new ATOM 0 HA GLU B 129 -20.482 14.002 8.484 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -19.798 15.247 5.781 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -20.479 16.099 7.153 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -18.413 15.538 8.467 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -17.733 14.808 7.026 1.00 0.00 H new ATOM 1699 N SER B 130 -21.887 13.318 5.585 1.00 0.00 N ATOM 1700 CA SER B 130 -23.167 13.326 4.882 1.00 0.00 C ATOM 1701 C SER B 130 -23.880 11.973 4.968 1.00 0.00 C ATOM 1702 O SER B 130 -25.034 11.840 4.558 1.00 0.00 O ATOM 1703 CB SER B 130 -22.959 13.744 3.420 1.00 0.00 C ATOM 1704 OG SER B 130 -24.192 13.934 2.752 1.00 0.00 O ATOM 0 H SER B 130 -21.105 12.947 5.046 1.00 0.00 H new ATOM 0 HA SER B 130 -23.813 14.054 5.372 1.00 0.00 H new ATOM 0 HB2 SER B 130 -22.379 14.666 3.384 1.00 0.00 H new ATOM 0 HB3 SER B 130 -22.378 12.981 2.902 1.00 0.00 H new ATOM 0 HG SER B 130 -24.848 13.286 3.085 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.186 10.971 5.504 1.00 0.00 N ATOM 1711 CA GLY B 131 -23.798 9.672 5.727 1.00 0.00 C ATOM 1712 C GLY B 131 -24.140 8.937 4.444 1.00 0.00 C ATOM 1713 O GLY B 131 -25.095 8.160 4.418 1.00 0.00 O ATOM 0 H GLY B 131 -22.209 11.036 5.788 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -23.121 9.057 6.320 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -24.707 9.803 6.315 1.00 0.00 H new ATOM 1717 N LEU B 132 -23.360 9.177 3.389 1.00 0.00 N ATOM 1718 CA LEU B 132 -23.613 8.592 2.074 1.00 0.00 C ATOM 1719 C LEU B 132 -23.823 7.077 2.170 1.00 0.00 C ATOM 1720 O LEU B 132 -24.768 6.545 1.590 1.00 0.00 O ATOM 1721 CB LEU B 132 -22.443 8.941 1.133 1.00 0.00 C ATOM 1722 CG LEU B 132 -22.588 8.530 -0.340 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -22.200 7.077 -0.535 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -24.006 8.772 -0.836 1.00 0.00 C ATOM 0 H LEU B 132 -22.538 9.780 3.423 1.00 0.00 H new ATOM 0 HA LEU B 132 -24.533 9.011 1.667 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -22.288 10.019 1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -21.540 8.475 1.528 1.00 0.00 H new ATOM 0 HG LEU B 132 -21.910 9.149 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -22.311 6.809 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -21.163 6.933 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -22.847 6.443 0.071 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -24.082 8.473 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -24.705 8.186 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -24.248 9.831 -0.743 1.00 0.00 H new ATOM 1736 N THR B 133 -22.953 6.407 2.923 1.00 0.00 N ATOM 1737 CA THR B 133 -23.041 4.963 3.127 1.00 0.00 C ATOM 1738 C THR B 133 -22.703 4.205 1.840 1.00 0.00 C ATOM 1739 O THR B 133 -23.577 4.090 0.960 1.00 0.00 O ATOM 1740 CB THR B 133 -24.438 4.543 3.634 1.00 0.00 C ATOM 1741 OG1 THR B 133 -24.818 5.355 4.757 1.00 0.00 O ATOM 1742 CG2 THR B 133 -24.449 3.078 4.043 1.00 0.00 C ATOM 1743 OXT THR B 133 -21.548 3.741 1.711 1.00 0.00 O ATOM 0 H THR B 133 -22.171 6.848 3.407 1.00 0.00 H new ATOM 0 HA THR B 133 -22.309 4.703 3.892 1.00 0.00 H new ATOM 0 HB THR B 133 -25.150 4.685 2.821 1.00 0.00 H new ATOM 0 HG1 THR B 133 -24.962 6.278 4.460 1.00 0.00 H new ATOM 0 HG21 THR B 133 -25.444 2.806 4.396 1.00 0.00 H new ATOM 0 HG22 THR B 133 -24.187 2.459 3.185 1.00 0.00 H new ATOM 0 HG23 THR B 133 -23.724 2.918 4.841 1.00 0.00 H new TER 1751 THR B 133