USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 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 111 LYS NZ :NH3+ -115:sc= -0.0124 (180deg=-0.146) USER MOD Set 1.2: B 115 GLN : amide:sc= -1.06! X(o=-1.1!,f=-1.4) USER MOD Set 2.1: B 106 GLN : amide:sc= -0.0401 K(o=0.47,f=-0.19) USER MOD Set 2.2: B 110 TYR OH : rot 80:sc= 0.512 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.105 (180deg=-0.546) USER MOD Single : A 1 MET N :NH3+ -123:sc=-0.00629 (180deg=-0.0944) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 53:sc= 0.314 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0282 (180deg=-0.28) USER MOD Single : A 13 TYR OH : rot 165:sc= -0.976 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0831 F(o=-0.99,f=-0.083) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.87 F(o=-2.1!,f=-0.87) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.86 K(o=-0.86,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.071) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.16) USER MOD Single : A 39 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.052) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0137 (180deg=-0.205) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 88 SER OG : rot -43:sc= 0.609 USER MOD Single : B 100 GLN : amide:sc= 0.199 X(o=0.2,f=-0.1) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.1!) USER MOD Single : B 112 LYS NZ :NH3+ 131:sc= 1.27 (180deg=0.353) USER MOD Single : B 123 LYS NZ :NH3+ -149:sc= -0.308 (180deg=-1.59!) USER MOD Single : B 130 SER OG : rot 180:sc= 0 USER MOD Single : B 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.069 -6.044 2.364 1.00 0.00 N ATOM 2 CA MET A 1 30.494 -5.361 1.180 1.00 0.00 C ATOM 3 C MET A 1 30.060 -3.943 1.539 1.00 0.00 C ATOM 4 O MET A 1 28.903 -3.565 1.330 1.00 0.00 O ATOM 5 CB MET A 1 29.294 -6.148 0.640 1.00 0.00 C ATOM 6 CG MET A 1 29.650 -7.522 0.096 1.00 0.00 C ATOM 7 SD MET A 1 30.770 -7.448 -1.319 1.00 0.00 S ATOM 8 CE MET A 1 29.751 -6.593 -2.520 1.00 0.00 C ATOM 0 H1 MET A 1 32.035 -6.362 2.146 1.00 0.00 H new ATOM 0 H2 MET A 1 31.095 -5.384 3.167 1.00 0.00 H new ATOM 0 H3 MET A 1 30.481 -6.866 2.610 1.00 0.00 H new ATOM 0 HA MET A 1 31.263 -5.311 0.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.560 -6.263 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.818 -5.568 -0.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.111 -8.113 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.736 -8.039 -0.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.148 -6.763 -3.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.730 -6.971 -2.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.754 -5.524 -2.305 1.00 0.00 H new ATOM 20 N ASP A 2 30.987 -3.154 2.075 1.00 0.00 N ATOM 21 CA ASP A 2 30.671 -1.795 2.505 1.00 0.00 C ATOM 22 C ASP A 2 31.913 -0.906 2.473 1.00 0.00 C ATOM 23 O ASP A 2 32.068 -0.005 3.296 1.00 0.00 O ATOM 24 CB ASP A 2 30.051 -1.800 3.913 1.00 0.00 C ATOM 25 CG ASP A 2 31.015 -2.239 5.004 1.00 0.00 C ATOM 26 OD1 ASP A 2 31.308 -3.449 5.101 1.00 0.00 O ATOM 27 OD2 ASP A 2 31.464 -1.377 5.792 1.00 0.00 O ATOM 0 H ASP A 2 31.958 -3.430 2.221 1.00 0.00 H new ATOM 0 HA ASP A 2 29.942 -1.385 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.687 -0.799 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.186 -2.463 3.917 1.00 0.00 H new ATOM 32 N SER A 3 32.790 -1.153 1.511 1.00 0.00 N ATOM 33 CA SER A 3 34.002 -0.360 1.368 1.00 0.00 C ATOM 34 C SER A 3 33.661 1.052 0.889 1.00 0.00 C ATOM 35 O SER A 3 34.080 2.042 1.492 1.00 0.00 O ATOM 36 CB SER A 3 34.970 -1.038 0.394 1.00 0.00 C ATOM 37 OG SER A 3 36.177 -0.302 0.264 1.00 0.00 O ATOM 0 H SER A 3 32.685 -1.895 0.819 1.00 0.00 H new ATOM 0 HA SER A 3 34.487 -0.286 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.193 -2.046 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.496 -1.137 -0.582 1.00 0.00 H new ATOM 0 HG SER A 3 36.774 -0.761 -0.363 1.00 0.00 H new ATOM 43 N ALA A 4 32.879 1.139 -0.178 1.00 0.00 N ATOM 44 CA ALA A 4 32.464 2.427 -0.718 1.00 0.00 C ATOM 45 C ALA A 4 31.209 2.908 -0.005 1.00 0.00 C ATOM 46 O ALA A 4 31.118 4.066 0.410 1.00 0.00 O ATOM 47 CB ALA A 4 32.222 2.327 -2.217 1.00 0.00 C ATOM 0 H ALA A 4 32.519 0.332 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 4 33.262 3.150 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 4 31.913 3.299 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 4 33.141 2.016 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 4 31.439 1.594 -2.411 1.00 0.00 H new ATOM 53 N ILE A 5 30.254 2.000 0.144 1.00 0.00 N ATOM 54 CA ILE A 5 29.024 2.278 0.866 1.00 0.00 C ATOM 55 C ILE A 5 29.342 2.610 2.315 1.00 0.00 C ATOM 56 O ILE A 5 29.736 1.741 3.092 1.00 0.00 O ATOM 57 CB ILE A 5 28.066 1.070 0.814 1.00 0.00 C ATOM 58 CG1 ILE A 5 27.717 0.739 -0.639 1.00 0.00 C ATOM 59 CG2 ILE A 5 26.807 1.352 1.621 1.00 0.00 C ATOM 60 CD1 ILE A 5 26.930 -0.543 -0.800 1.00 0.00 C ATOM 0 H ILE A 5 30.311 1.053 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 5 28.535 3.128 0.391 1.00 0.00 H new ATOM 0 HB ILE A 5 28.564 0.207 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 5 27.142 1.563 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 5 28.638 0.664 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.143 0.489 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.076 1.545 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.299 2.224 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 5 26.720 -0.711 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 5 27.511 -1.378 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 5 25.991 -0.465 -0.251 1.00 0.00 H new ATOM 72 N SER A 6 29.191 3.870 2.668 1.00 0.00 N ATOM 73 CA SER A 6 29.548 4.326 3.991 1.00 0.00 C ATOM 74 C SER A 6 28.292 4.594 4.814 1.00 0.00 C ATOM 75 O SER A 6 27.186 4.240 4.391 1.00 0.00 O ATOM 76 CB SER A 6 30.408 5.581 3.869 1.00 0.00 C ATOM 77 OG SER A 6 31.469 5.373 2.945 1.00 0.00 O ATOM 0 H SER A 6 28.822 4.596 2.054 1.00 0.00 H new ATOM 0 HA SER A 6 30.121 3.555 4.507 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.793 6.419 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.815 5.846 4.845 1.00 0.00 H new ATOM 0 HG SER A 6 31.105 5.042 2.098 1.00 0.00 H new ATOM 83 N LYS A 7 28.452 5.211 5.979 1.00 0.00 N ATOM 84 CA LYS A 7 27.326 5.526 6.836 1.00 0.00 C ATOM 85 C LYS A 7 26.339 6.430 6.102 1.00 0.00 C ATOM 86 O LYS A 7 25.132 6.373 6.339 1.00 0.00 O ATOM 87 CB LYS A 7 27.839 6.209 8.098 1.00 0.00 C ATOM 88 CG LYS A 7 26.788 6.396 9.171 1.00 0.00 C ATOM 89 CD LYS A 7 26.375 5.075 9.812 1.00 0.00 C ATOM 90 CE LYS A 7 27.507 4.455 10.621 1.00 0.00 C ATOM 91 NZ LYS A 7 27.934 5.329 11.745 1.00 0.00 N ATOM 0 H LYS A 7 29.357 5.502 6.349 1.00 0.00 H new ATOM 0 HA LYS A 7 26.805 4.608 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 28.660 5.621 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 7 28.247 7.184 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 7 27.172 7.066 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.911 6.877 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.514 5.240 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.060 4.378 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 7 27.185 3.491 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 7 28.358 4.265 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 28.499 4.775 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 28.508 6.114 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 27.095 5.710 12.227 1.00 0.00 H new ATOM 105 N GLU A 8 26.877 7.250 5.201 1.00 0.00 N ATOM 106 CA GLU A 8 26.079 8.131 4.357 1.00 0.00 C ATOM 107 C GLU A 8 24.962 7.371 3.646 1.00 0.00 C ATOM 108 O GLU A 8 23.783 7.595 3.916 1.00 0.00 O ATOM 109 CB GLU A 8 26.979 8.801 3.321 1.00 0.00 C ATOM 110 CG GLU A 8 27.940 9.816 3.910 1.00 0.00 C ATOM 111 CD GLU A 8 27.226 10.945 4.619 1.00 0.00 C ATOM 112 OE1 GLU A 8 27.296 11.011 5.863 1.00 0.00 O ATOM 113 OE2 GLU A 8 26.578 11.766 3.936 1.00 0.00 O ATOM 0 H GLU A 8 27.881 7.321 5.037 1.00 0.00 H new ATOM 0 HA GLU A 8 25.620 8.883 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.551 8.033 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.355 9.295 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.608 9.315 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 28.562 10.226 3.115 1.00 0.00 H new ATOM 120 N ASP A 9 25.346 6.462 2.752 1.00 0.00 N ATOM 121 CA ASP A 9 24.379 5.702 1.959 1.00 0.00 C ATOM 122 C ASP A 9 23.456 4.888 2.853 1.00 0.00 C ATOM 123 O ASP A 9 22.259 4.770 2.589 1.00 0.00 O ATOM 124 CB ASP A 9 25.104 4.773 0.977 1.00 0.00 C ATOM 125 CG ASP A 9 24.150 3.953 0.124 1.00 0.00 C ATOM 126 OD1 ASP A 9 24.036 2.728 0.346 1.00 0.00 O ATOM 127 OD2 ASP A 9 23.514 4.527 -0.784 1.00 0.00 O ATOM 0 H ASP A 9 26.321 6.233 2.558 1.00 0.00 H new ATOM 0 HA ASP A 9 23.775 6.415 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.744 5.369 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.755 4.100 1.535 1.00 0.00 H new ATOM 132 N GLU A 10 24.019 4.355 3.928 1.00 0.00 N ATOM 133 CA GLU A 10 23.275 3.508 4.846 1.00 0.00 C ATOM 134 C GLU A 10 22.167 4.282 5.555 1.00 0.00 C ATOM 135 O GLU A 10 20.986 3.988 5.371 1.00 0.00 O ATOM 136 CB GLU A 10 24.225 2.886 5.868 1.00 0.00 C ATOM 137 CG GLU A 10 23.528 2.008 6.890 1.00 0.00 C ATOM 138 CD GLU A 10 24.498 1.350 7.842 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.717 0.125 7.728 1.00 0.00 O ATOM 140 OE2 GLU A 10 25.047 2.050 8.716 1.00 0.00 O ATOM 0 H GLU A 10 24.996 4.496 4.186 1.00 0.00 H new ATOM 0 HA GLU A 10 22.802 2.717 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.973 2.293 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.757 3.682 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.818 2.610 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.953 1.240 6.373 1.00 0.00 H new ATOM 147 N GLU A 11 22.549 5.267 6.360 1.00 0.00 N ATOM 148 CA GLU A 11 21.593 6.065 7.110 1.00 0.00 C ATOM 149 C GLU A 11 20.602 6.765 6.191 1.00 0.00 C ATOM 150 O GLU A 11 19.431 6.929 6.540 1.00 0.00 O ATOM 151 CB GLU A 11 22.328 7.087 7.972 1.00 0.00 C ATOM 152 CG GLU A 11 23.088 6.459 9.124 1.00 0.00 C ATOM 153 CD GLU A 11 22.168 5.936 10.210 1.00 0.00 C ATOM 154 OE1 GLU A 11 21.892 6.685 11.171 1.00 0.00 O ATOM 155 OE2 GLU A 11 21.709 4.780 10.108 1.00 0.00 O ATOM 0 H GLU A 11 23.523 5.532 6.509 1.00 0.00 H new ATOM 0 HA GLU A 11 21.027 5.391 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 11 23.025 7.646 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.609 7.804 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.702 5.641 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.767 7.196 9.552 1.00 0.00 H new ATOM 162 N ARG A 12 21.068 7.163 5.011 1.00 0.00 N ATOM 163 CA ARG A 12 20.205 7.810 4.033 1.00 0.00 C ATOM 164 C ARG A 12 19.135 6.838 3.552 1.00 0.00 C ATOM 165 O ARG A 12 18.001 7.231 3.285 1.00 0.00 O ATOM 166 CB ARG A 12 21.020 8.326 2.845 1.00 0.00 C ATOM 167 CG ARG A 12 20.232 9.202 1.877 1.00 0.00 C ATOM 168 CD ARG A 12 19.794 10.510 2.523 1.00 0.00 C ATOM 169 NE ARG A 12 18.719 10.327 3.503 1.00 0.00 N ATOM 170 CZ ARG A 12 18.671 10.939 4.687 1.00 0.00 C ATOM 171 NH1 ARG A 12 19.664 11.727 5.078 1.00 0.00 N ATOM 172 NH2 ARG A 12 17.629 10.751 5.487 1.00 0.00 N ATOM 0 H ARG A 12 22.036 7.048 4.711 1.00 0.00 H new ATOM 0 HA ARG A 12 19.722 8.661 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.870 8.895 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.424 7.474 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.844 9.417 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.355 8.658 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.651 10.973 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 12 19.459 11.199 1.747 1.00 0.00 H new ATOM 0 HE ARG A 12 17.959 9.691 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.472 11.868 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.620 12.191 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.866 10.139 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.591 11.218 6.393 1.00 0.00 H new ATOM 186 N TYR A 13 19.504 5.567 3.449 1.00 0.00 N ATOM 187 CA TYR A 13 18.564 4.536 3.053 1.00 0.00 C ATOM 188 C TYR A 13 17.639 4.173 4.211 1.00 0.00 C ATOM 189 O TYR A 13 16.428 4.087 4.037 1.00 0.00 O ATOM 190 CB TYR A 13 19.312 3.294 2.563 1.00 0.00 C ATOM 191 CG TYR A 13 18.435 2.068 2.475 1.00 0.00 C ATOM 192 CD1 TYR A 13 18.728 0.934 3.217 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.301 2.059 1.675 1.00 0.00 C ATOM 194 CE1 TYR A 13 17.913 -0.178 3.167 1.00 0.00 C ATOM 195 CE2 TYR A 13 16.483 0.950 1.616 1.00 0.00 C ATOM 196 CZ TYR A 13 16.794 -0.167 2.367 1.00 0.00 C ATOM 197 OH TYR A 13 15.977 -1.272 2.323 1.00 0.00 O ATOM 0 H TYR A 13 20.448 5.230 3.635 1.00 0.00 H new ATOM 0 HA TYR A 13 17.955 4.924 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 13 19.739 3.499 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.144 3.090 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.608 0.921 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.055 2.933 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.152 -1.053 3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.605 0.955 0.987 1.00 0.00 H new ATOM 0 HH TYR A 13 15.120 -1.029 1.914 1.00 0.00 H new ATOM 207 N GLN A 14 18.220 3.966 5.383 1.00 0.00 N ATOM 208 CA GLN A 14 17.464 3.576 6.575 1.00 0.00 C ATOM 209 C GLN A 14 16.305 4.525 6.842 1.00 0.00 C ATOM 210 O GLN A 14 15.156 4.103 6.951 1.00 0.00 O ATOM 211 CB GLN A 14 18.381 3.553 7.791 1.00 0.00 C ATOM 212 CG GLN A 14 19.471 2.502 7.713 1.00 0.00 C ATOM 213 CD GLN A 14 18.931 1.081 7.698 1.00 0.00 C ATOM 214 OE1 GLN A 14 17.829 0.847 8.395 1.00 0.00 O flip ATOM 215 NE2 GLN A 14 19.518 0.193 7.082 1.00 0.00 N flip ATOM 0 H GLN A 14 19.223 4.062 5.540 1.00 0.00 H new ATOM 0 HA GLN A 14 17.058 2.581 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.842 4.534 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.781 3.376 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 14 20.064 2.668 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 14 20.142 2.620 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.364 0.411 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.159 -0.761 7.097 1.00 0.00 H new ATOM 224 N LYS A 15 16.616 5.804 6.966 1.00 0.00 N ATOM 225 CA LYS A 15 15.590 6.816 7.176 1.00 0.00 C ATOM 226 C LYS A 15 14.575 6.829 6.034 1.00 0.00 C ATOM 227 O LYS A 15 13.396 7.110 6.243 1.00 0.00 O ATOM 228 CB LYS A 15 16.212 8.200 7.329 1.00 0.00 C ATOM 229 CG LYS A 15 17.021 8.350 8.602 1.00 0.00 C ATOM 230 CD LYS A 15 16.116 8.326 9.820 1.00 0.00 C ATOM 231 CE LYS A 15 16.900 8.058 11.085 1.00 0.00 C ATOM 232 NZ LYS A 15 16.031 8.088 12.290 1.00 0.00 N ATOM 0 H LYS A 15 17.568 6.168 6.925 1.00 0.00 H new ATOM 0 HA LYS A 15 15.068 6.558 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.854 8.400 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.422 8.951 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.753 7.545 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.579 9.286 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.596 9.280 9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.353 7.558 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.386 7.085 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.690 8.802 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.605 7.900 13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.586 9.024 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.293 7.361 12.204 1.00 0.00 H new ATOM 246 N LEU A 16 15.044 6.508 4.836 1.00 0.00 N ATOM 247 CA LEU A 16 14.197 6.491 3.651 1.00 0.00 C ATOM 248 C LEU A 16 13.124 5.419 3.775 1.00 0.00 C ATOM 249 O LEU A 16 11.956 5.660 3.464 1.00 0.00 O ATOM 250 CB LEU A 16 15.047 6.240 2.407 1.00 0.00 C ATOM 251 CG LEU A 16 14.372 6.534 1.071 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.817 7.951 1.056 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.368 6.332 -0.053 1.00 0.00 C ATOM 0 H LEU A 16 16.016 6.254 4.658 1.00 0.00 H new ATOM 0 HA LEU A 16 13.707 7.461 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.949 6.847 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.364 5.197 2.411 1.00 0.00 H new ATOM 0 HG LEU A 16 13.537 5.847 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.339 8.144 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.084 8.063 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.630 8.662 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.886 6.542 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.213 7.007 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.722 5.301 -0.044 1.00 0.00 H new ATOM 265 N VAL A 17 13.522 4.235 4.236 1.00 0.00 N ATOM 266 CA VAL A 17 12.570 3.150 4.449 1.00 0.00 C ATOM 267 C VAL A 17 11.566 3.570 5.506 1.00 0.00 C ATOM 268 O VAL A 17 10.390 3.235 5.427 1.00 0.00 O ATOM 269 CB VAL A 17 13.255 1.822 4.874 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.612 1.701 4.223 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.374 1.686 6.387 1.00 0.00 C ATOM 0 H VAL A 17 14.488 4.005 4.467 1.00 0.00 H new ATOM 0 HA VAL A 17 12.072 2.959 3.498 1.00 0.00 H new ATOM 0 HB VAL A 17 12.618 1.007 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.081 0.766 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.498 1.711 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.239 2.538 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.859 0.741 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.968 2.511 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.380 1.709 6.834 1.00 0.00 H new ATOM 281 N THR A 18 12.040 4.343 6.473 1.00 0.00 N ATOM 282 CA THR A 18 11.208 4.852 7.519 1.00 0.00 C ATOM 283 C THR A 18 10.127 5.751 6.930 1.00 0.00 C ATOM 284 O THR A 18 8.943 5.541 7.183 1.00 0.00 O ATOM 285 CB THR A 18 12.079 5.598 8.542 1.00 0.00 C ATOM 286 OG1 THR A 18 12.633 4.668 9.482 1.00 0.00 O ATOM 287 CG2 THR A 18 11.302 6.671 9.260 1.00 0.00 C ATOM 0 H THR A 18 13.017 4.627 6.542 1.00 0.00 H new ATOM 0 HA THR A 18 10.707 4.032 8.034 1.00 0.00 H new ATOM 0 HB THR A 18 12.888 6.088 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.188 5.150 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.953 7.175 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.928 7.395 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.463 6.220 9.789 1.00 0.00 H new ATOM 295 N GLU A 19 10.543 6.712 6.107 1.00 0.00 N ATOM 296 CA GLU A 19 9.611 7.594 5.412 1.00 0.00 C ATOM 297 C GLU A 19 8.592 6.775 4.638 1.00 0.00 C ATOM 298 O GLU A 19 7.394 7.038 4.690 1.00 0.00 O ATOM 299 CB GLU A 19 10.368 8.512 4.448 1.00 0.00 C ATOM 300 CG GLU A 19 11.364 9.422 5.147 1.00 0.00 C ATOM 301 CD GLU A 19 12.039 10.393 4.206 1.00 0.00 C ATOM 302 OE1 GLU A 19 13.223 10.185 3.879 1.00 0.00 O ATOM 303 OE2 GLU A 19 11.392 11.380 3.794 1.00 0.00 O ATOM 0 H GLU A 19 11.525 6.899 5.905 1.00 0.00 H new ATOM 0 HA GLU A 19 9.094 8.203 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.895 7.902 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.651 9.122 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.850 9.981 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.123 8.812 5.637 1.00 0.00 H new ATOM 310 N ASN A 20 9.101 5.761 3.960 1.00 0.00 N ATOM 311 CA ASN A 20 8.314 4.907 3.082 1.00 0.00 C ATOM 312 C ASN A 20 7.256 4.112 3.857 1.00 0.00 C ATOM 313 O ASN A 20 6.117 3.986 3.410 1.00 0.00 O ATOM 314 CB ASN A 20 9.276 3.969 2.350 1.00 0.00 C ATOM 315 CG ASN A 20 8.665 3.254 1.164 1.00 0.00 C ATOM 316 OD1 ASN A 20 7.683 3.704 0.581 1.00 0.00 O ATOM 317 ND2 ASN A 20 9.277 2.141 0.781 1.00 0.00 N ATOM 0 H ASN A 20 10.087 5.503 4.003 1.00 0.00 H new ATOM 0 HA ASN A 20 7.770 5.525 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.137 4.544 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.648 3.226 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.934 1.623 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.090 1.803 1.295 1.00 0.00 H new ATOM 324 N GLU A 21 7.629 3.573 5.015 1.00 0.00 N ATOM 325 CA GLU A 21 6.708 2.795 5.839 1.00 0.00 C ATOM 326 C GLU A 21 5.590 3.650 6.431 1.00 0.00 C ATOM 327 O GLU A 21 4.450 3.198 6.537 1.00 0.00 O ATOM 328 CB GLU A 21 7.483 2.126 6.958 1.00 0.00 C ATOM 329 CG GLU A 21 8.553 1.195 6.442 1.00 0.00 C ATOM 330 CD GLU A 21 8.014 -0.168 6.066 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.954 -0.485 4.860 1.00 0.00 O ATOM 332 OE2 GLU A 21 7.635 -0.932 6.981 1.00 0.00 O ATOM 0 H GLU A 21 8.567 3.661 5.405 1.00 0.00 H new ATOM 0 HA GLU A 21 6.239 2.049 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.942 2.890 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.793 1.567 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.030 1.645 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.324 1.078 7.203 1.00 0.00 H new ATOM 339 N GLN A 22 5.923 4.873 6.823 1.00 0.00 N ATOM 340 CA GLN A 22 4.956 5.755 7.484 1.00 0.00 C ATOM 341 C GLN A 22 3.723 5.969 6.621 1.00 0.00 C ATOM 342 O GLN A 22 2.612 5.577 6.980 1.00 0.00 O ATOM 343 CB GLN A 22 5.559 7.130 7.778 1.00 0.00 C ATOM 344 CG GLN A 22 6.915 7.089 8.467 1.00 0.00 C ATOM 345 CD GLN A 22 7.519 8.466 8.654 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.290 9.372 7.853 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.296 8.634 9.711 1.00 0.00 N ATOM 0 H GLN A 22 6.850 5.280 6.698 1.00 0.00 H new ATOM 0 HA GLN A 22 4.682 5.261 8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.658 7.677 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.865 7.691 8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.809 6.608 9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.597 6.474 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.461 7.857 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.730 9.540 9.886 1.00 0.00 H new ATOM 356 N LEU A 23 3.939 6.579 5.468 1.00 0.00 N ATOM 357 CA LEU A 23 2.843 7.095 4.669 1.00 0.00 C ATOM 358 C LEU A 23 2.155 6.008 3.848 1.00 0.00 C ATOM 359 O LEU A 23 1.012 6.187 3.435 1.00 0.00 O ATOM 360 CB LEU A 23 3.325 8.260 3.787 1.00 0.00 C ATOM 361 CG LEU A 23 4.064 7.912 2.493 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.573 9.180 1.836 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.218 6.957 2.724 1.00 0.00 C ATOM 0 H LEU A 23 4.864 6.729 5.065 1.00 0.00 H new ATOM 0 HA LEU A 23 2.087 7.475 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.457 8.865 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.981 8.888 4.390 1.00 0.00 H new ATOM 0 HG LEU A 23 3.352 7.409 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.098 8.927 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.732 9.834 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.255 9.692 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.708 6.743 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.935 7.411 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.842 6.029 3.156 1.00 0.00 H new ATOM 375 N GLN A 24 2.818 4.872 3.636 1.00 0.00 N ATOM 376 CA GLN A 24 2.188 3.774 2.905 1.00 0.00 C ATOM 377 C GLN A 24 1.031 3.200 3.718 1.00 0.00 C ATOM 378 O GLN A 24 0.028 2.751 3.161 1.00 0.00 O ATOM 379 CB GLN A 24 3.192 2.671 2.551 1.00 0.00 C ATOM 380 CG GLN A 24 3.757 1.930 3.749 1.00 0.00 C ATOM 381 CD GLN A 24 4.672 0.794 3.343 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.944 1.098 3.160 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 4.236 -0.344 3.174 1.00 0.00 N flip ATOM 0 H GLN A 24 3.770 4.689 3.952 1.00 0.00 H new ATOM 0 HA GLN A 24 1.805 4.177 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.706 1.953 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.016 3.113 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.307 2.629 4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.937 1.536 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.246 -0.539 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.864 -1.093 2.882 1.00 0.00 H new ATOM 392 N ARG A 25 1.166 3.254 5.041 1.00 0.00 N ATOM 393 CA ARG A 25 0.107 2.852 5.933 1.00 0.00 C ATOM 394 C ARG A 25 -1.051 3.827 5.802 1.00 0.00 C ATOM 395 O ARG A 25 -2.203 3.436 5.640 1.00 0.00 O ATOM 396 CB ARG A 25 0.622 2.852 7.372 1.00 0.00 C ATOM 397 CG ARG A 25 -0.480 3.102 8.369 1.00 0.00 C ATOM 398 CD ARG A 25 0.043 3.492 9.740 1.00 0.00 C ATOM 399 NE ARG A 25 -1.044 3.559 10.720 1.00 0.00 N ATOM 400 CZ ARG A 25 -0.920 4.051 11.953 1.00 0.00 C ATOM 401 NH1 ARG A 25 0.253 4.492 12.386 1.00 0.00 N ATOM 402 NH2 ARG A 25 -1.973 4.086 12.759 1.00 0.00 N ATOM 0 H ARG A 25 2.011 3.577 5.512 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.230 1.848 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.094 1.894 7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.390 3.618 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.130 3.893 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.091 2.204 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.788 2.767 10.068 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.543 4.459 9.680 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.959 3.205 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.069 4.456 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.340 4.867 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.875 3.737 12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.881 4.462 13.703 1.00 0.00 H new ATOM 416 N LEU A 26 -0.704 5.102 5.850 1.00 0.00 N ATOM 417 CA LEU A 26 -1.667 6.191 5.815 1.00 0.00 C ATOM 418 C LEU A 26 -2.470 6.155 4.519 1.00 0.00 C ATOM 419 O LEU A 26 -3.643 6.544 4.477 1.00 0.00 O ATOM 420 CB LEU A 26 -0.900 7.503 5.982 1.00 0.00 C ATOM 421 CG LEU A 26 -0.001 7.517 7.228 1.00 0.00 C ATOM 422 CD1 LEU A 26 0.865 8.764 7.290 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.843 7.389 8.492 1.00 0.00 C ATOM 0 H LEU A 26 0.265 5.414 5.915 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.389 6.094 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.288 7.675 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.610 8.328 6.044 1.00 0.00 H new ATOM 0 HG LEU A 26 0.668 6.659 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.484 8.733 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.504 8.807 6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.228 9.648 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.192 7.400 9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.542 8.223 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.398 6.451 8.466 1.00 0.00 H new ATOM 435 N ILE A 27 -1.831 5.670 3.470 1.00 0.00 N ATOM 436 CA ILE A 27 -2.503 5.413 2.211 1.00 0.00 C ATOM 437 C ILE A 27 -3.492 4.270 2.358 1.00 0.00 C ATOM 438 O ILE A 27 -4.676 4.429 2.081 1.00 0.00 O ATOM 439 CB ILE A 27 -1.493 5.045 1.118 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.599 6.230 0.819 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.191 4.573 -0.149 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.479 5.893 -0.164 1.00 0.00 C ATOM 0 H ILE A 27 -0.836 5.444 3.467 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.030 6.325 1.929 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.883 4.220 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.203 7.048 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.146 6.584 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.445 4.320 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.794 3.693 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.835 5.367 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.094 6.774 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.101 5.093 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.028 5.565 -1.101 1.00 0.00 H new ATOM 454 N THR A 28 -2.983 3.126 2.807 1.00 0.00 N ATOM 455 CA THR A 28 -3.777 1.906 2.914 1.00 0.00 C ATOM 456 C THR A 28 -5.061 2.131 3.725 1.00 0.00 C ATOM 457 O THR A 28 -6.096 1.539 3.417 1.00 0.00 O ATOM 458 CB THR A 28 -2.938 0.745 3.516 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.140 -0.452 2.756 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.291 0.468 4.971 1.00 0.00 C ATOM 0 H THR A 28 -2.014 3.019 3.105 1.00 0.00 H new ATOM 0 HA THR A 28 -4.074 1.624 1.904 1.00 0.00 H new ATOM 0 HB THR A 28 -1.894 1.054 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.606 -1.178 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.677 -0.352 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.105 1.362 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.344 0.195 5.044 1.00 0.00 H new ATOM 468 N GLN A 29 -4.997 3.003 4.738 1.00 0.00 N ATOM 469 CA GLN A 29 -6.168 3.320 5.556 1.00 0.00 C ATOM 470 C GLN A 29 -7.287 3.846 4.680 1.00 0.00 C ATOM 471 O GLN A 29 -8.391 3.297 4.632 1.00 0.00 O ATOM 472 CB GLN A 29 -5.845 4.398 6.595 1.00 0.00 C ATOM 473 CG GLN A 29 -4.536 4.200 7.326 1.00 0.00 C ATOM 474 CD GLN A 29 -4.381 5.144 8.497 1.00 0.00 C ATOM 475 OE1 GLN A 29 -3.855 6.248 8.357 1.00 0.00 O ATOM 476 NE2 GLN A 29 -4.844 4.720 9.661 1.00 0.00 N ATOM 0 H GLN A 29 -4.148 3.499 5.009 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.468 2.402 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.825 5.368 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.652 4.432 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.473 3.171 7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.709 4.348 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.273 3.798 9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.772 5.315 10.486 1.00 0.00 H new ATOM 485 N LYS A 30 -6.972 4.921 3.986 1.00 0.00 N ATOM 486 CA LYS A 30 -7.946 5.619 3.165 1.00 0.00 C ATOM 487 C LYS A 30 -8.275 4.812 1.915 1.00 0.00 C ATOM 488 O LYS A 30 -9.441 4.681 1.553 1.00 0.00 O ATOM 489 CB LYS A 30 -7.415 7.002 2.787 1.00 0.00 C ATOM 490 CG LYS A 30 -6.816 7.763 3.964 1.00 0.00 C ATOM 491 CD LYS A 30 -7.789 7.869 5.132 1.00 0.00 C ATOM 492 CE LYS A 30 -7.130 8.494 6.350 1.00 0.00 C ATOM 493 NZ LYS A 30 -6.636 9.873 6.084 1.00 0.00 N ATOM 0 H LYS A 30 -6.040 5.335 3.974 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.864 5.740 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.657 6.892 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.227 7.590 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.907 7.261 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.529 8.763 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.651 8.467 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.162 6.877 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.844 8.519 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.297 7.868 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.287 10.294 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.863 9.837 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.413 10.453 5.707 1.00 0.00 H new ATOM 507 N GLU A 31 -7.241 4.264 1.279 1.00 0.00 N ATOM 508 CA GLU A 31 -7.391 3.463 0.068 1.00 0.00 C ATOM 509 C GLU A 31 -8.494 2.424 0.188 1.00 0.00 C ATOM 510 O GLU A 31 -9.453 2.458 -0.575 1.00 0.00 O ATOM 511 CB GLU A 31 -6.075 2.769 -0.269 1.00 0.00 C ATOM 512 CG GLU A 31 -5.247 3.520 -1.291 1.00 0.00 C ATOM 513 CD GLU A 31 -5.817 3.404 -2.688 1.00 0.00 C ATOM 514 OE1 GLU A 31 -6.726 4.186 -3.033 1.00 0.00 O ATOM 515 OE2 GLU A 31 -5.361 2.524 -3.447 1.00 0.00 O ATOM 0 H GLU A 31 -6.275 4.364 1.590 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.670 4.149 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.491 2.649 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.286 1.769 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.192 4.572 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.227 3.135 -1.284 1.00 0.00 H new ATOM 522 N GLU A 32 -8.368 1.512 1.147 1.00 0.00 N ATOM 523 CA GLU A 32 -9.327 0.420 1.271 1.00 0.00 C ATOM 524 C GLU A 32 -10.742 0.949 1.480 1.00 0.00 C ATOM 525 O GLU A 32 -11.697 0.397 0.940 1.00 0.00 O ATOM 526 CB GLU A 32 -8.946 -0.533 2.404 1.00 0.00 C ATOM 527 CG GLU A 32 -8.801 0.140 3.756 1.00 0.00 C ATOM 528 CD GLU A 32 -8.811 -0.852 4.889 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.882 -1.034 5.507 1.00 0.00 O ATOM 530 OE2 GLU A 32 -7.756 -1.459 5.166 1.00 0.00 O ATOM 0 H GLU A 32 -7.621 1.506 1.842 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.302 -0.137 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.703 -1.314 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.006 -1.023 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.870 0.707 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.613 0.854 3.893 1.00 0.00 H new ATOM 537 N LYS A 33 -10.872 2.032 2.239 1.00 0.00 N ATOM 538 CA LYS A 33 -12.177 2.634 2.483 1.00 0.00 C ATOM 539 C LYS A 33 -12.725 3.252 1.198 1.00 0.00 C ATOM 540 O LYS A 33 -13.909 3.124 0.887 1.00 0.00 O ATOM 541 CB LYS A 33 -12.087 3.688 3.591 1.00 0.00 C ATOM 542 CG LYS A 33 -11.658 3.127 4.941 1.00 0.00 C ATOM 543 CD LYS A 33 -12.586 2.013 5.406 1.00 0.00 C ATOM 544 CE LYS A 33 -12.242 1.533 6.808 1.00 0.00 C ATOM 545 NZ LYS A 33 -10.853 1.005 6.907 1.00 0.00 N ATOM 0 H LYS A 33 -10.093 2.509 2.694 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.862 1.852 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.380 4.460 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.058 4.170 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.639 2.747 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.649 3.927 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.616 2.368 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.524 1.176 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.365 2.357 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.945 0.754 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.686 0.645 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.725 0.234 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.176 1.767 6.701 1.00 0.00 H new ATOM 559 N ILE A 34 -11.848 3.905 0.445 1.00 0.00 N ATOM 560 CA ILE A 34 -12.216 4.490 -0.839 1.00 0.00 C ATOM 561 C ILE A 34 -12.597 3.402 -1.837 1.00 0.00 C ATOM 562 O ILE A 34 -13.484 3.590 -2.661 1.00 0.00 O ATOM 563 CB ILE A 34 -11.065 5.339 -1.425 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.803 6.546 -0.532 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.396 5.792 -2.838 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.442 7.175 -0.748 1.00 0.00 C ATOM 0 H ILE A 34 -10.871 4.043 0.703 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.074 5.139 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.166 4.724 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.573 7.296 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.892 6.242 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.572 6.388 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.548 4.920 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.305 6.394 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.325 8.028 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.664 6.440 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.356 7.510 -1.782 1.00 0.00 H new ATOM 578 N ARG A 35 -11.927 2.265 -1.748 1.00 0.00 N ATOM 579 CA ARG A 35 -12.191 1.140 -2.638 1.00 0.00 C ATOM 580 C ARG A 35 -13.606 0.623 -2.453 1.00 0.00 C ATOM 581 O ARG A 35 -14.235 0.160 -3.399 1.00 0.00 O ATOM 582 CB ARG A 35 -11.176 0.034 -2.394 1.00 0.00 C ATOM 583 CG ARG A 35 -9.769 0.481 -2.754 1.00 0.00 C ATOM 584 CD ARG A 35 -8.725 -0.609 -2.595 1.00 0.00 C ATOM 585 NE ARG A 35 -7.392 -0.086 -2.903 1.00 0.00 N ATOM 586 CZ ARG A 35 -6.372 -0.818 -3.350 1.00 0.00 C ATOM 587 NH1 ARG A 35 -6.507 -2.124 -3.536 1.00 0.00 N ATOM 588 NH2 ARG A 35 -5.218 -0.226 -3.626 1.00 0.00 N ATOM 0 H ARG A 35 -11.190 2.093 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.094 1.482 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.207 -0.265 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.443 -0.843 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.761 0.832 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.495 1.329 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.745 -0.995 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.957 -1.444 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.233 0.912 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.398 -2.578 -3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.720 -2.674 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.117 0.781 -3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.431 -0.777 -3.969 1.00 0.00 H new ATOM 602 N VAL A 36 -14.101 0.725 -1.234 1.00 0.00 N ATOM 603 CA VAL A 36 -15.478 0.372 -0.929 1.00 0.00 C ATOM 604 C VAL A 36 -16.417 1.355 -1.611 1.00 0.00 C ATOM 605 O VAL A 36 -17.433 0.975 -2.195 1.00 0.00 O ATOM 606 CB VAL A 36 -15.707 0.389 0.589 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.106 -0.100 0.939 1.00 0.00 C ATOM 608 CG2 VAL A 36 -14.635 -0.449 1.267 1.00 0.00 C ATOM 0 H VAL A 36 -13.565 1.053 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.680 -0.634 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.632 1.414 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.239 -0.077 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.846 0.547 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.235 -1.121 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.794 -0.440 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.689 -1.474 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.652 -0.035 1.041 1.00 0.00 H new ATOM 618 N LEU A 37 -16.045 2.624 -1.548 1.00 0.00 N ATOM 619 CA LEU A 37 -16.734 3.671 -2.291 1.00 0.00 C ATOM 620 C LEU A 37 -16.656 3.384 -3.784 1.00 0.00 C ATOM 621 O LEU A 37 -17.619 3.587 -4.516 1.00 0.00 O ATOM 622 CB LEU A 37 -16.114 5.038 -1.982 1.00 0.00 C ATOM 623 CG LEU A 37 -16.742 5.808 -0.816 1.00 0.00 C ATOM 624 CD1 LEU A 37 -18.032 6.482 -1.256 1.00 0.00 C ATOM 625 CD2 LEU A 37 -17.003 4.883 0.366 1.00 0.00 C ATOM 0 H LEU A 37 -15.263 2.957 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.781 3.688 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.054 4.895 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.179 5.656 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.038 6.577 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.464 7.024 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.820 7.179 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.738 5.727 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.449 5.452 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.685 4.088 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.062 4.446 0.701 1.00 0.00 H new ATOM 637 N ARG A 38 -15.503 2.893 -4.218 1.00 0.00 N ATOM 638 CA ARG A 38 -15.294 2.542 -5.618 1.00 0.00 C ATOM 639 C ARG A 38 -16.215 1.415 -6.041 1.00 0.00 C ATOM 640 O ARG A 38 -16.718 1.426 -7.148 1.00 0.00 O ATOM 641 CB ARG A 38 -13.850 2.137 -5.895 1.00 0.00 C ATOM 642 CG ARG A 38 -12.849 3.257 -5.711 1.00 0.00 C ATOM 643 CD ARG A 38 -11.522 2.909 -6.358 1.00 0.00 C ATOM 644 NE ARG A 38 -11.628 2.864 -7.817 1.00 0.00 N ATOM 645 CZ ARG A 38 -10.606 3.048 -8.651 1.00 0.00 C ATOM 646 NH1 ARG A 38 -9.382 3.259 -8.181 1.00 0.00 N ATOM 647 NH2 ARG A 38 -10.819 3.020 -9.959 1.00 0.00 N ATOM 0 H ARG A 38 -14.694 2.728 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.522 3.436 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.582 1.312 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.778 1.764 -6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.241 4.176 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.701 3.447 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.772 3.646 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.179 1.943 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.546 2.679 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.219 3.281 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.605 3.399 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.760 2.859 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.042 3.160 -10.605 1.00 0.00 H new ATOM 661 N GLN A 39 -16.423 0.439 -5.163 1.00 0.00 N ATOM 662 CA GLN A 39 -17.367 -0.644 -5.432 1.00 0.00 C ATOM 663 C GLN A 39 -18.754 -0.079 -5.712 1.00 0.00 C ATOM 664 O GLN A 39 -19.486 -0.569 -6.571 1.00 0.00 O ATOM 665 CB GLN A 39 -17.428 -1.597 -4.245 1.00 0.00 C ATOM 666 CG GLN A 39 -16.071 -2.140 -3.849 1.00 0.00 C ATOM 667 CD GLN A 39 -15.429 -2.959 -4.943 1.00 0.00 C ATOM 668 OE1 GLN A 39 -15.632 -4.169 -5.032 1.00 0.00 O ATOM 669 NE2 GLN A 39 -14.638 -2.313 -5.776 1.00 0.00 N ATOM 0 H GLN A 39 -15.952 0.374 -4.260 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.024 -1.192 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.868 -1.079 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.089 -2.429 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.414 -1.310 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.177 -2.755 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.495 -1.309 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.168 -2.817 -6.528 1.00 0.00 H new ATOM 678 N ARG A 40 -19.103 0.955 -4.972 1.00 0.00 N ATOM 679 CA ARG A 40 -20.337 1.678 -5.195 1.00 0.00 C ATOM 680 C ARG A 40 -20.314 2.353 -6.563 1.00 0.00 C ATOM 681 O ARG A 40 -21.280 2.289 -7.325 1.00 0.00 O ATOM 682 CB ARG A 40 -20.517 2.708 -4.088 1.00 0.00 C ATOM 683 CG ARG A 40 -20.778 2.083 -2.727 1.00 0.00 C ATOM 684 CD ARG A 40 -20.748 3.116 -1.613 1.00 0.00 C ATOM 685 NE ARG A 40 -21.768 4.151 -1.788 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.704 4.444 -0.884 1.00 0.00 C ATOM 687 NH1 ARG A 40 -22.800 3.741 0.240 1.00 0.00 N ATOM 688 NH2 ARG A 40 -23.554 5.438 -1.111 1.00 0.00 N ATOM 0 H ARG A 40 -18.540 1.316 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 40 -21.177 0.984 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.624 3.330 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.347 3.366 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.748 1.587 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -20.029 1.316 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.899 2.619 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.763 3.582 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.763 4.683 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.155 2.971 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.519 3.972 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.491 5.976 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.271 5.664 -0.421 1.00 0.00 H new ATOM 702 N LEU A 41 -19.196 2.987 -6.884 1.00 0.00 N ATOM 703 CA LEU A 41 -19.031 3.604 -8.195 1.00 0.00 C ATOM 704 C LEU A 41 -18.876 2.535 -9.281 1.00 0.00 C ATOM 705 O LEU A 41 -18.997 2.819 -10.459 1.00 0.00 O ATOM 706 CB LEU A 41 -17.828 4.545 -8.249 1.00 0.00 C ATOM 707 CG LEU A 41 -17.440 5.250 -6.945 1.00 0.00 C ATOM 708 CD1 LEU A 41 -16.126 5.987 -7.123 1.00 0.00 C ATOM 709 CD2 LEU A 41 -18.521 6.215 -6.488 1.00 0.00 C ATOM 0 H LEU A 41 -18.394 3.088 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.932 4.191 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.966 3.974 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.028 5.308 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.326 4.487 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.859 6.485 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.344 5.277 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.230 6.730 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.211 6.696 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.680 6.973 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.449 5.669 -6.320 1.00 0.00 H new ATOM 721 N VAL A 42 -18.583 1.309 -8.894 1.00 0.00 N ATOM 722 CA VAL A 42 -18.574 0.199 -9.837 1.00 0.00 C ATOM 723 C VAL A 42 -19.964 0.035 -10.427 1.00 0.00 C ATOM 724 O VAL A 42 -20.136 -0.346 -11.586 1.00 0.00 O ATOM 725 CB VAL A 42 -18.123 -1.110 -9.152 1.00 0.00 C ATOM 726 CG1 VAL A 42 -18.515 -2.324 -9.970 1.00 0.00 C ATOM 727 CG2 VAL A 42 -16.623 -1.093 -8.908 1.00 0.00 C ATOM 0 H VAL A 42 -18.348 1.053 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.861 0.418 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.633 -1.177 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.183 -3.229 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.598 -2.350 -10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.046 -2.268 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.322 -2.023 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.101 -0.993 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.369 -0.251 -8.264 1.00 0.00 H new ATOM 737 N GLU A 43 -20.945 0.380 -9.616 1.00 0.00 N ATOM 738 CA GLU A 43 -22.334 0.348 -10.030 1.00 0.00 C ATOM 739 C GLU A 43 -22.630 1.505 -10.977 1.00 0.00 C ATOM 740 O GLU A 43 -23.526 1.412 -11.817 1.00 0.00 O ATOM 741 CB GLU A 43 -23.246 0.407 -8.809 1.00 0.00 C ATOM 742 CG GLU A 43 -23.015 -0.737 -7.837 1.00 0.00 C ATOM 743 CD GLU A 43 -23.826 -0.596 -6.566 1.00 0.00 C ATOM 744 OE1 GLU A 43 -25.051 -0.840 -6.602 1.00 0.00 O ATOM 745 OE2 GLU A 43 -23.242 -0.244 -5.520 1.00 0.00 O ATOM 0 H GLU A 43 -20.802 0.689 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.523 -0.586 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -23.089 1.353 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.285 0.392 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -23.270 -1.679 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -21.956 -0.785 -7.584 1.00 0.00 H new ATOM 752 N ARG A 44 -21.875 2.595 -10.841 1.00 0.00 N ATOM 753 CA ARG A 44 -21.986 3.716 -11.767 1.00 0.00 C ATOM 754 C ARG A 44 -21.190 3.407 -13.036 1.00 0.00 C ATOM 755 O ARG A 44 -21.539 3.840 -14.132 1.00 0.00 O ATOM 756 CB ARG A 44 -21.502 5.022 -11.124 1.00 0.00 C ATOM 757 CG ARG A 44 -20.031 5.260 -11.276 1.00 0.00 C ATOM 758 CD ARG A 44 -19.649 6.706 -10.985 1.00 0.00 C ATOM 759 NE ARG A 44 -20.154 7.163 -9.689 1.00 0.00 N ATOM 760 CZ ARG A 44 -19.782 8.302 -9.100 1.00 0.00 C ATOM 761 NH1 ARG A 44 -18.882 9.090 -9.673 1.00 0.00 N ATOM 762 NH2 ARG A 44 -20.316 8.649 -7.937 1.00 0.00 N ATOM 0 H ARG A 44 -21.184 2.723 -10.102 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.036 3.853 -12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -22.044 5.857 -11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -21.751 5.008 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.486 4.599 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.726 5.002 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.564 6.804 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.041 7.349 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.833 6.574 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.470 8.827 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.602 9.959 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.009 8.046 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.033 9.519 -7.485 1.00 0.00 H new ATOM 776 N GLY A 45 -20.115 2.653 -12.860 1.00 0.00 N ATOM 777 CA GLY A 45 -19.328 2.175 -13.980 1.00 0.00 C ATOM 778 C GLY A 45 -17.850 2.490 -13.843 1.00 0.00 C ATOM 779 O GLY A 45 -17.170 2.738 -14.836 1.00 0.00 O ATOM 0 H GLY A 45 -19.769 2.360 -11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.457 1.097 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.706 2.622 -14.900 1.00 0.00 H new ATOM 783 N ASP A 46 -17.349 2.475 -12.612 1.00 0.00 N ATOM 784 CA ASP A 46 -15.936 2.762 -12.346 1.00 0.00 C ATOM 785 C ASP A 46 -15.055 1.578 -12.732 1.00 0.00 C ATOM 786 O ASP A 46 -13.882 1.744 -13.058 1.00 0.00 O ATOM 787 CB ASP A 46 -15.731 3.102 -10.865 1.00 0.00 C ATOM 788 CG ASP A 46 -14.279 3.380 -10.515 1.00 0.00 C ATOM 789 OD1 ASP A 46 -13.797 4.497 -10.801 1.00 0.00 O ATOM 790 OD2 ASP A 46 -13.617 2.491 -9.939 1.00 0.00 O ATOM 0 H ASP A 46 -17.899 2.267 -11.778 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.647 3.620 -12.954 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.333 3.974 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.094 2.275 -10.254 1.00 0.00 H new ATOM 795 N ALA A 47 -15.635 0.384 -12.725 1.00 0.00 N ATOM 796 CA ALA A 47 -14.883 -0.832 -13.023 1.00 0.00 C ATOM 797 C ALA A 47 -14.770 -1.062 -14.525 1.00 0.00 C ATOM 798 O ALA A 47 -14.408 -2.154 -14.971 1.00 0.00 O ATOM 799 CB ALA A 47 -15.535 -2.035 -12.360 1.00 0.00 C ATOM 0 H ALA A 47 -16.622 0.230 -12.517 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.877 -0.705 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.962 -2.933 -12.592 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.557 -1.888 -11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.553 -2.148 -12.732 1.00 0.00 H new ATOM 805 N LYS A 48 -15.094 -0.042 -15.303 1.00 0.00 N ATOM 806 CA LYS A 48 -14.994 -0.133 -16.750 1.00 0.00 C ATOM 807 C LYS A 48 -13.577 0.156 -17.221 1.00 0.00 C ATOM 808 O LYS A 48 -13.048 -0.539 -18.081 1.00 0.00 O ATOM 809 CB LYS A 48 -15.978 0.822 -17.426 1.00 0.00 C ATOM 810 CG LYS A 48 -17.425 0.372 -17.326 1.00 0.00 C ATOM 811 CD LYS A 48 -17.625 -0.975 -18.000 1.00 0.00 C ATOM 812 CE LYS A 48 -19.066 -1.435 -17.920 1.00 0.00 C ATOM 813 NZ LYS A 48 -19.993 -0.496 -18.603 1.00 0.00 N ATOM 0 H LYS A 48 -15.428 0.857 -14.957 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.249 -1.154 -17.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.881 1.810 -16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.709 0.924 -18.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.717 0.305 -16.278 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.073 1.115 -17.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.322 -0.907 -19.045 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.980 -1.717 -17.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.156 -2.424 -18.370 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.357 -1.534 -16.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.932 -0.935 -18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.069 0.381 -18.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.628 -0.276 -19.551 1.00 0.00 H new ATOM 827 N GLY A 49 -12.962 1.180 -16.654 1.00 0.00 N ATOM 828 CA GLY A 49 -11.614 1.534 -17.043 1.00 0.00 C ATOM 829 C GLY A 49 -11.597 2.350 -18.316 1.00 0.00 C ATOM 830 O GLY A 49 -11.345 3.557 -18.282 1.00 0.00 O ATOM 0 H GLY A 49 -13.371 1.773 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.140 2.100 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.026 0.627 -17.184 1.00 0.00 H new ATOM 834 N THR A 50 -11.875 1.697 -19.438 1.00 0.00 N ATOM 835 CA THR A 50 -11.942 2.376 -20.720 1.00 0.00 C ATOM 836 C THR A 50 -12.819 1.602 -21.713 1.00 0.00 C ATOM 837 O THR A 50 -12.338 0.764 -22.473 1.00 0.00 O ATOM 838 CB THR A 50 -10.528 2.622 -21.309 1.00 0.00 C ATOM 839 OG1 THR A 50 -10.624 3.169 -22.632 1.00 0.00 O ATOM 840 CG2 THR A 50 -9.695 1.345 -21.336 1.00 0.00 C ATOM 0 H THR A 50 -12.058 0.695 -19.483 1.00 0.00 H new ATOM 0 HA THR A 50 -12.403 3.348 -20.548 1.00 0.00 H new ATOM 0 HB THR A 50 -10.025 3.337 -20.658 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.724 3.320 -22.990 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.712 1.560 -21.755 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.581 0.964 -20.321 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.196 0.597 -21.951 1.00 0.00 H new ATOM 848 N GLU A 51 -14.115 1.926 -21.685 1.00 0.00 N ATOM 849 CA GLU A 51 -15.132 1.352 -22.580 1.00 0.00 C ATOM 850 C GLU A 51 -14.922 -0.131 -22.895 1.00 0.00 C ATOM 851 O GLU A 51 -14.296 -0.489 -23.896 1.00 0.00 O ATOM 852 CB GLU A 51 -15.166 2.148 -23.882 1.00 0.00 C ATOM 853 CG GLU A 51 -15.485 3.614 -23.687 1.00 0.00 C ATOM 854 CD GLU A 51 -15.390 4.397 -24.973 1.00 0.00 C ATOM 855 OE1 GLU A 51 -16.357 4.371 -25.764 1.00 0.00 O ATOM 856 OE2 GLU A 51 -14.343 5.036 -25.210 1.00 0.00 O ATOM 0 H GLU A 51 -14.497 2.607 -21.029 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.082 1.420 -22.049 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.200 2.058 -24.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.909 1.708 -24.548 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.490 3.713 -23.277 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.799 4.038 -22.954 1.00 0.00 H new ATOM 863 N LEU A 52 -15.493 -0.988 -22.063 1.00 0.00 N ATOM 864 CA LEU A 52 -15.413 -2.424 -22.272 1.00 0.00 C ATOM 865 C LEU A 52 -16.542 -3.131 -21.541 1.00 0.00 C ATOM 866 O LEU A 52 -16.580 -3.184 -20.312 1.00 0.00 O ATOM 867 CB LEU A 52 -14.044 -2.965 -21.842 1.00 0.00 C ATOM 868 CG LEU A 52 -13.514 -2.448 -20.506 1.00 0.00 C ATOM 869 CD1 LEU A 52 -13.565 -3.534 -19.443 1.00 0.00 C ATOM 870 CD2 LEU A 52 -12.100 -1.924 -20.680 1.00 0.00 C ATOM 0 H LEU A 52 -16.019 -0.712 -21.234 1.00 0.00 H new ATOM 0 HA LEU A 52 -15.524 -2.624 -23.338 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.104 -4.052 -21.791 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.318 -2.721 -22.618 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.151 -1.630 -20.170 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.182 -3.140 -18.502 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.596 -3.862 -19.307 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.954 -4.380 -19.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.728 -1.557 -19.724 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.455 -2.728 -21.036 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.100 -1.111 -21.406 1.00 0.00 H new ATOM 882 N ASN A 53 -17.479 -3.639 -22.323 1.00 0.00 N ATOM 883 CA ASN A 53 -18.632 -4.358 -21.799 1.00 0.00 C ATOM 884 C ASN A 53 -18.191 -5.656 -21.130 1.00 0.00 C ATOM 885 O ASN A 53 -18.545 -5.920 -19.980 1.00 0.00 O ATOM 886 CB ASN A 53 -19.624 -4.654 -22.929 1.00 0.00 C ATOM 887 CG ASN A 53 -20.902 -5.310 -22.436 1.00 0.00 C ATOM 888 OD1 ASN A 53 -21.350 -5.066 -21.317 1.00 0.00 O ATOM 889 ND2 ASN A 53 -21.503 -6.137 -23.277 1.00 0.00 N ATOM 0 H ASN A 53 -17.464 -3.566 -23.340 1.00 0.00 H new ATOM 0 HA ASN A 53 -19.123 -3.734 -21.052 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -19.873 -3.724 -23.440 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -19.148 -5.304 -23.663 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -22.371 -6.599 -23.005 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -21.098 -6.312 -24.197 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 1.394 -9.221 -7.379 1.00 0.00 N ATOM 898 CA GLY B 84 2.609 -9.731 -7.984 1.00 0.00 C ATOM 899 C GLY B 84 3.783 -9.653 -7.031 1.00 0.00 C ATOM 900 O GLY B 84 3.873 -8.708 -6.245 1.00 0.00 O ATOM 0 HA2 GLY B 84 2.457 -10.766 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY B 84 2.834 -9.162 -8.886 1.00 0.00 H new ATOM 904 N PRO B 85 4.703 -10.628 -7.073 1.00 0.00 N ATOM 905 CA PRO B 85 5.827 -10.684 -6.142 1.00 0.00 C ATOM 906 C PRO B 85 6.933 -9.700 -6.499 1.00 0.00 C ATOM 907 O PRO B 85 6.769 -8.864 -7.396 1.00 0.00 O ATOM 908 CB PRO B 85 6.318 -12.122 -6.280 1.00 0.00 C ATOM 909 CG PRO B 85 6.013 -12.474 -7.692 1.00 0.00 C ATOM 910 CD PRO B 85 4.734 -11.748 -8.036 1.00 0.00 C ATOM 0 HA PRO B 85 5.534 -10.412 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO B 85 7.385 -12.201 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO B 85 5.807 -12.787 -5.584 1.00 0.00 H new ATOM 0 HG2 PRO B 85 6.824 -12.170 -8.354 1.00 0.00 H new ATOM 0 HG3 PRO B 85 5.893 -13.551 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO B 85 4.739 -11.392 -9.066 1.00 0.00 H new ATOM 0 HD3 PRO B 85 3.864 -12.395 -7.927 1.00 0.00 H new ATOM 918 N LEU B 86 8.046 -9.804 -5.783 1.00 0.00 N ATOM 919 CA LEU B 86 9.201 -8.936 -5.981 1.00 0.00 C ATOM 920 C LEU B 86 9.578 -8.793 -7.460 1.00 0.00 C ATOM 921 O LEU B 86 9.912 -9.762 -8.140 1.00 0.00 O ATOM 922 CB LEU B 86 10.399 -9.415 -5.119 1.00 0.00 C ATOM 923 CG LEU B 86 11.060 -10.792 -5.419 1.00 0.00 C ATOM 924 CD1 LEU B 86 10.057 -11.878 -5.794 1.00 0.00 C ATOM 925 CD2 LEU B 86 12.144 -10.666 -6.477 1.00 0.00 C ATOM 0 H LEU B 86 8.174 -10.496 -5.045 1.00 0.00 H new ATOM 0 HA LEU B 86 8.923 -7.937 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU B 86 11.178 -8.656 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU B 86 10.068 -9.432 -4.081 1.00 0.00 H new ATOM 0 HG LEU B 86 11.521 -11.111 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU B 86 10.587 -12.810 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU B 86 9.355 -12.025 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 86 9.511 -11.576 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU B 86 12.586 -11.645 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU B 86 11.709 -10.282 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU B 86 12.916 -9.980 -6.127 1.00 0.00 H new ATOM 937 N GLY B 87 9.450 -7.577 -7.966 1.00 0.00 N ATOM 938 CA GLY B 87 9.829 -7.298 -9.336 1.00 0.00 C ATOM 939 C GLY B 87 11.028 -6.380 -9.420 1.00 0.00 C ATOM 940 O GLY B 87 11.908 -6.561 -10.261 1.00 0.00 O ATOM 0 H GLY B 87 9.089 -6.774 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY B 87 10.053 -8.234 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY B 87 8.988 -6.843 -9.859 1.00 0.00 H new ATOM 944 N SER B 88 11.073 -5.413 -8.516 1.00 0.00 N ATOM 945 CA SER B 88 12.059 -4.345 -8.569 1.00 0.00 C ATOM 946 C SER B 88 13.299 -4.681 -7.735 1.00 0.00 C ATOM 947 O SER B 88 14.067 -3.790 -7.367 1.00 0.00 O ATOM 948 CB SER B 88 11.417 -3.037 -8.084 1.00 0.00 C ATOM 949 OG SER B 88 12.271 -1.921 -8.280 1.00 0.00 O ATOM 0 H SER B 88 10.429 -5.347 -7.728 1.00 0.00 H new ATOM 0 HA SER B 88 12.389 -4.228 -9.601 1.00 0.00 H new ATOM 0 HB2 SER B 88 10.480 -2.874 -8.616 1.00 0.00 H new ATOM 0 HB3 SER B 88 11.172 -3.124 -7.026 1.00 0.00 H new ATOM 0 HG SER B 88 13.185 -2.159 -8.021 1.00 0.00 H new ATOM 955 N ARG B 89 13.490 -5.958 -7.427 1.00 0.00 N ATOM 956 CA ARG B 89 14.670 -6.380 -6.678 1.00 0.00 C ATOM 957 C ARG B 89 15.780 -6.833 -7.624 1.00 0.00 C ATOM 958 O ARG B 89 16.759 -6.116 -7.822 1.00 0.00 O ATOM 959 CB ARG B 89 14.323 -7.506 -5.702 1.00 0.00 C ATOM 960 CG ARG B 89 13.454 -7.062 -4.535 1.00 0.00 C ATOM 961 CD ARG B 89 13.239 -8.188 -3.535 1.00 0.00 C ATOM 962 NE ARG B 89 14.499 -8.770 -3.078 1.00 0.00 N ATOM 963 CZ ARG B 89 14.615 -10.007 -2.597 1.00 0.00 C ATOM 964 NH1 ARG B 89 13.542 -10.772 -2.444 1.00 0.00 N ATOM 965 NH2 ARG B 89 15.804 -10.472 -2.248 1.00 0.00 N ATOM 0 H ARG B 89 12.852 -6.713 -7.680 1.00 0.00 H new ATOM 0 HA ARG B 89 15.026 -5.522 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG B 89 13.808 -8.299 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG B 89 15.247 -7.934 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG B 89 13.922 -6.215 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG B 89 12.490 -6.718 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.684 -7.808 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.627 -8.965 -3.992 1.00 0.00 H new ATOM 0 HE ARG B 89 15.340 -8.195 -3.130 1.00 0.00 H new ATOM 0 HH11 ARG B 89 12.620 -10.414 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG B 89 13.639 -11.718 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG B 89 16.631 -9.883 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG B 89 15.893 -11.419 -1.880 1.00 0.00 H new ATOM 979 N ARG B 90 15.591 -8.003 -8.235 1.00 0.00 N ATOM 980 CA ARG B 90 16.553 -8.562 -9.187 1.00 0.00 C ATOM 981 C ARG B 90 17.934 -8.751 -8.541 1.00 0.00 C ATOM 982 O ARG B 90 18.869 -7.975 -8.780 1.00 0.00 O ATOM 983 CB ARG B 90 16.645 -7.673 -10.432 1.00 0.00 C ATOM 984 CG ARG B 90 17.452 -8.283 -11.563 1.00 0.00 C ATOM 985 CD ARG B 90 17.425 -7.401 -12.798 1.00 0.00 C ATOM 986 NE ARG B 90 16.061 -7.175 -13.278 1.00 0.00 N ATOM 987 CZ ARG B 90 15.761 -6.473 -14.366 1.00 0.00 C ATOM 988 NH1 ARG B 90 16.723 -5.949 -15.115 1.00 0.00 N ATOM 989 NH2 ARG B 90 14.490 -6.300 -14.704 1.00 0.00 N ATOM 0 H ARG B 90 14.770 -8.589 -8.085 1.00 0.00 H new ATOM 0 HA ARG B 90 16.198 -9.547 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG B 90 15.638 -7.461 -10.790 1.00 0.00 H new ATOM 0 HB3 ARG B 90 17.092 -6.719 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG B 90 18.483 -8.428 -11.240 1.00 0.00 H new ATOM 0 HG3 ARG B 90 17.053 -9.267 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG B 90 17.893 -6.443 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG B 90 18.016 -7.865 -13.588 1.00 0.00 H new ATOM 0 HE ARG B 90 15.293 -7.582 -12.744 1.00 0.00 H new ATOM 0 HH11 ARG B 90 17.701 -6.084 -14.857 1.00 0.00 H new ATOM 0 HH12 ARG B 90 16.485 -5.412 -15.949 1.00 0.00 H new ATOM 0 HH21 ARG B 90 13.750 -6.705 -14.130 1.00 0.00 H new ATOM 0 HH22 ARG B 90 14.253 -5.762 -15.538 1.00 0.00 H new ATOM 1003 N PHE B 91 18.039 -9.802 -7.725 1.00 0.00 N ATOM 1004 CA PHE B 91 19.278 -10.152 -7.024 1.00 0.00 C ATOM 1005 C PHE B 91 19.694 -9.042 -6.061 1.00 0.00 C ATOM 1006 O PHE B 91 18.895 -8.164 -5.742 1.00 0.00 O ATOM 1007 CB PHE B 91 20.410 -10.451 -8.014 1.00 0.00 C ATOM 1008 CG PHE B 91 20.103 -11.565 -8.977 1.00 0.00 C ATOM 1009 CD1 PHE B 91 20.422 -12.875 -8.665 1.00 0.00 C ATOM 1010 CD2 PHE B 91 19.494 -11.300 -10.194 1.00 0.00 C ATOM 1011 CE1 PHE B 91 20.142 -13.898 -9.550 1.00 0.00 C ATOM 1012 CE2 PHE B 91 19.212 -12.320 -11.080 1.00 0.00 C ATOM 1013 CZ PHE B 91 19.535 -13.620 -10.756 1.00 0.00 C ATOM 0 H PHE B 91 17.265 -10.437 -7.531 1.00 0.00 H new ATOM 0 HA PHE B 91 19.084 -11.055 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE B 91 20.632 -9.546 -8.580 1.00 0.00 H new ATOM 0 HB3 PHE B 91 21.310 -10.706 -7.455 1.00 0.00 H new ATOM 0 HD1 PHE B 91 20.895 -13.100 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE B 91 19.237 -10.283 -10.452 1.00 0.00 H new ATOM 0 HE1 PHE B 91 20.399 -14.916 -9.297 1.00 0.00 H new ATOM 0 HE2 PHE B 91 18.739 -12.100 -12.026 1.00 0.00 H new ATOM 0 HZ PHE B 91 19.313 -14.420 -11.446 1.00 0.00 H new ATOM 1023 N VAL B 92 20.933 -9.076 -5.589 1.00 0.00 N ATOM 1024 CA VAL B 92 21.396 -8.055 -4.656 1.00 0.00 C ATOM 1025 C VAL B 92 22.019 -6.879 -5.403 1.00 0.00 C ATOM 1026 O VAL B 92 22.052 -5.762 -4.893 1.00 0.00 O ATOM 1027 CB VAL B 92 22.410 -8.613 -3.630 1.00 0.00 C ATOM 1028 CG1 VAL B 92 21.872 -9.876 -2.979 1.00 0.00 C ATOM 1029 CG2 VAL B 92 23.766 -8.868 -4.270 1.00 0.00 C ATOM 0 H VAL B 92 21.625 -9.785 -5.830 1.00 0.00 H new ATOM 0 HA VAL B 92 20.518 -7.714 -4.108 1.00 0.00 H new ATOM 0 HB VAL B 92 22.550 -7.859 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL B 92 22.600 -10.253 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL B 92 20.938 -9.651 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL B 92 21.692 -10.631 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL B 92 24.454 -9.260 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL B 92 23.657 -9.593 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL B 92 24.160 -7.935 -4.672 1.00 0.00 H new ATOM 1039 N VAL B 93 22.497 -7.137 -6.619 1.00 0.00 N ATOM 1040 CA VAL B 93 23.157 -6.111 -7.422 1.00 0.00 C ATOM 1041 C VAL B 93 22.215 -4.944 -7.689 1.00 0.00 C ATOM 1042 O VAL B 93 22.479 -3.804 -7.277 1.00 0.00 O ATOM 1043 CB VAL B 93 23.658 -6.675 -8.765 1.00 0.00 C ATOM 1044 CG1 VAL B 93 24.415 -5.612 -9.549 1.00 0.00 C ATOM 1045 CG2 VAL B 93 24.527 -7.901 -8.545 1.00 0.00 C ATOM 0 H VAL B 93 22.439 -8.050 -7.070 1.00 0.00 H new ATOM 0 HA VAL B 93 24.016 -5.762 -6.849 1.00 0.00 H new ATOM 0 HB VAL B 93 22.789 -6.975 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL B 93 24.759 -6.033 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL B 93 23.755 -4.767 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL B 93 25.273 -5.274 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL B 93 24.869 -8.282 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL B 93 25.389 -7.631 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL B 93 23.948 -8.671 -8.035 1.00 0.00 H new ATOM 1055 N ASP B 94 21.106 -5.223 -8.362 1.00 0.00 N ATOM 1056 CA ASP B 94 20.146 -4.181 -8.653 1.00 0.00 C ATOM 1057 C ASP B 94 19.467 -3.742 -7.374 1.00 0.00 C ATOM 1058 O ASP B 94 19.425 -2.565 -7.090 1.00 0.00 O ATOM 1059 CB ASP B 94 19.095 -4.614 -9.675 1.00 0.00 C ATOM 1060 CG ASP B 94 19.683 -4.959 -11.034 1.00 0.00 C ATOM 1061 OD1 ASP B 94 19.413 -4.219 -12.003 1.00 0.00 O ATOM 1062 OD2 ASP B 94 20.423 -5.962 -11.142 1.00 0.00 O ATOM 0 H ASP B 94 20.856 -6.149 -8.710 1.00 0.00 H new ATOM 0 HA ASP B 94 20.697 -3.350 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP B 94 18.558 -5.480 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP B 94 18.364 -3.814 -9.796 1.00 0.00 H new ATOM 1067 N ASP B 95 18.992 -4.694 -6.572 1.00 0.00 N ATOM 1068 CA ASP B 95 18.243 -4.366 -5.350 1.00 0.00 C ATOM 1069 C ASP B 95 19.088 -3.545 -4.370 1.00 0.00 C ATOM 1070 O ASP B 95 18.587 -3.041 -3.379 1.00 0.00 O ATOM 1071 CB ASP B 95 17.745 -5.640 -4.665 1.00 0.00 C ATOM 1072 CG ASP B 95 16.686 -5.387 -3.603 1.00 0.00 C ATOM 1073 OD1 ASP B 95 15.576 -4.923 -3.948 1.00 0.00 O ATOM 1074 OD2 ASP B 95 16.948 -5.694 -2.417 1.00 0.00 O ATOM 0 H ASP B 95 19.109 -5.693 -6.741 1.00 0.00 H new ATOM 0 HA ASP B 95 17.387 -3.761 -5.648 1.00 0.00 H new ATOM 0 HB2 ASP B 95 17.337 -6.312 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP B 95 18.592 -6.151 -4.207 1.00 0.00 H new ATOM 1079 N ARG B 96 20.370 -3.394 -4.638 1.00 0.00 N ATOM 1080 CA ARG B 96 21.180 -2.518 -3.814 1.00 0.00 C ATOM 1081 C ARG B 96 20.891 -1.069 -4.191 1.00 0.00 C ATOM 1082 O ARG B 96 20.499 -0.261 -3.351 1.00 0.00 O ATOM 1083 CB ARG B 96 22.678 -2.820 -3.955 1.00 0.00 C ATOM 1084 CG ARG B 96 23.549 -1.936 -3.070 1.00 0.00 C ATOM 1085 CD ARG B 96 23.256 -2.156 -1.591 1.00 0.00 C ATOM 1086 NE ARG B 96 23.566 -0.974 -0.786 1.00 0.00 N ATOM 1087 CZ ARG B 96 23.526 -0.948 0.548 1.00 0.00 C ATOM 1088 NH1 ARG B 96 23.274 -2.059 1.230 1.00 0.00 N ATOM 1089 NH2 ARG B 96 23.745 0.188 1.203 1.00 0.00 N ATOM 0 H ARG B 96 20.865 -3.855 -5.402 1.00 0.00 H new ATOM 0 HA ARG B 96 20.918 -2.690 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG B 96 22.858 -3.865 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG B 96 22.974 -2.687 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.600 -2.146 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG B 96 23.380 -0.889 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG B 96 22.205 -2.414 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG B 96 23.838 -3.003 -1.229 1.00 0.00 H new ATOM 0 HE ARG B 96 23.829 -0.118 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG B 96 23.110 -2.935 0.735 1.00 0.00 H new ATOM 0 HH12 ARG B 96 23.244 -2.036 2.249 1.00 0.00 H new ATOM 0 HH21 ARG B 96 23.945 1.044 0.686 1.00 0.00 H new ATOM 0 HH22 ARG B 96 23.713 0.203 2.222 1.00 0.00 H new ATOM 1103 N ARG B 97 21.048 -0.764 -5.471 1.00 0.00 N ATOM 1104 CA ARG B 97 20.811 0.587 -5.973 1.00 0.00 C ATOM 1105 C ARG B 97 19.338 0.801 -6.328 1.00 0.00 C ATOM 1106 O ARG B 97 18.726 1.783 -5.919 1.00 0.00 O ATOM 1107 CB ARG B 97 21.708 0.845 -7.187 1.00 0.00 C ATOM 1108 CG ARG B 97 21.283 2.027 -8.044 1.00 0.00 C ATOM 1109 CD ARG B 97 20.774 1.554 -9.396 1.00 0.00 C ATOM 1110 NE ARG B 97 21.796 0.790 -10.110 1.00 0.00 N ATOM 1111 CZ ARG B 97 21.535 -0.136 -11.029 1.00 0.00 C ATOM 1112 NH1 ARG B 97 20.286 -0.374 -11.409 1.00 0.00 N ATOM 1113 NH2 ARG B 97 22.533 -0.811 -11.583 1.00 0.00 N ATOM 0 H ARG B 97 21.339 -1.433 -6.184 1.00 0.00 H new ATOM 0 HA ARG B 97 21.059 1.299 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG B 97 22.728 1.011 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG B 97 21.724 -0.051 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG B 97 20.503 2.591 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG B 97 22.126 2.703 -8.184 1.00 0.00 H new ATOM 0 HD2 ARG B 97 19.886 0.937 -9.257 1.00 0.00 H new ATOM 0 HD3 ARG B 97 20.474 2.414 -9.995 1.00 0.00 H new ATOM 0 HE ARG B 97 22.774 0.979 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG B 97 19.518 0.155 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG B 97 20.094 -1.086 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG B 97 23.495 -0.619 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG B 97 22.338 -1.522 -12.288 1.00 0.00 H new ATOM 1127 N GLU B 98 18.782 -0.137 -7.076 1.00 0.00 N ATOM 1128 CA GLU B 98 17.404 -0.071 -7.543 1.00 0.00 C ATOM 1129 C GLU B 98 16.414 0.022 -6.386 1.00 0.00 C ATOM 1130 O GLU B 98 15.440 0.770 -6.454 1.00 0.00 O ATOM 1131 CB GLU B 98 17.088 -1.294 -8.404 1.00 0.00 C ATOM 1132 CG GLU B 98 17.686 -1.212 -9.793 1.00 0.00 C ATOM 1133 CD GLU B 98 17.111 -0.075 -10.616 1.00 0.00 C ATOM 1134 OE1 GLU B 98 15.965 -0.202 -11.095 1.00 0.00 O ATOM 1135 OE2 GLU B 98 17.814 0.943 -10.801 1.00 0.00 O ATOM 0 H GLU B 98 19.278 -0.975 -7.380 1.00 0.00 H new ATOM 0 HA GLU B 98 17.299 0.836 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU B 98 17.462 -2.188 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU B 98 16.007 -1.404 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU B 98 18.766 -1.085 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU B 98 17.514 -2.154 -10.314 1.00 0.00 H new ATOM 1142 N LEU B 99 16.663 -0.732 -5.322 1.00 0.00 N ATOM 1143 CA LEU B 99 15.770 -0.733 -4.172 1.00 0.00 C ATOM 1144 C LEU B 99 15.847 0.597 -3.428 1.00 0.00 C ATOM 1145 O LEU B 99 14.821 1.237 -3.230 1.00 0.00 O ATOM 1146 CB LEU B 99 16.086 -1.953 -3.292 1.00 0.00 C ATOM 1147 CG LEU B 99 15.546 -2.020 -1.852 1.00 0.00 C ATOM 1148 CD1 LEU B 99 16.512 -1.350 -0.897 1.00 0.00 C ATOM 1149 CD2 LEU B 99 14.155 -1.420 -1.723 1.00 0.00 C ATOM 0 H LEU B 99 17.472 -1.347 -5.232 1.00 0.00 H new ATOM 0 HA LEU B 99 14.733 -0.827 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU B 99 15.721 -2.836 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.171 -2.041 -3.236 1.00 0.00 H new ATOM 0 HG LEU B 99 15.458 -3.074 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.117 -1.405 0.118 1.00 0.00 H new ATOM 0 HD12 LEU B 99 17.476 -1.857 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.639 -0.305 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.822 -1.493 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.181 -0.372 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU B 99 13.463 -1.964 -2.366 1.00 0.00 H new ATOM 1161 N GLN B 100 17.046 1.044 -3.057 1.00 0.00 N ATOM 1162 CA GLN B 100 17.171 2.313 -2.338 1.00 0.00 C ATOM 1163 C GLN B 100 16.613 3.460 -3.180 1.00 0.00 C ATOM 1164 O GLN B 100 16.038 4.411 -2.652 1.00 0.00 O ATOM 1165 CB GLN B 100 18.622 2.607 -1.949 1.00 0.00 C ATOM 1166 CG GLN B 100 19.574 2.717 -3.127 1.00 0.00 C ATOM 1167 CD GLN B 100 20.913 3.316 -2.748 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.574 3.955 -3.567 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.324 3.117 -1.505 1.00 0.00 N ATOM 0 H GLN B 100 17.926 0.561 -3.236 1.00 0.00 H new ATOM 0 HA GLN B 100 16.591 2.225 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.653 3.538 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN B 100 18.975 1.819 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN B 100 19.732 1.727 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.114 3.329 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.747 2.582 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.218 3.499 -1.196 1.00 0.00 H new ATOM 1178 N TYR B 101 16.769 3.345 -4.492 1.00 0.00 N ATOM 1179 CA TYR B 101 16.257 4.339 -5.421 1.00 0.00 C ATOM 1180 C TYR B 101 14.734 4.289 -5.487 1.00 0.00 C ATOM 1181 O TYR B 101 14.084 5.320 -5.652 1.00 0.00 O ATOM 1182 CB TYR B 101 16.855 4.119 -6.815 1.00 0.00 C ATOM 1183 CG TYR B 101 16.422 5.144 -7.838 1.00 0.00 C ATOM 1184 CD1 TYR B 101 15.398 4.869 -8.738 1.00 0.00 C ATOM 1185 CD2 TYR B 101 17.033 6.388 -7.901 1.00 0.00 C ATOM 1186 CE1 TYR B 101 14.997 5.806 -9.670 1.00 0.00 C ATOM 1187 CE2 TYR B 101 16.638 7.331 -8.830 1.00 0.00 C ATOM 1188 CZ TYR B 101 15.619 7.035 -9.710 1.00 0.00 C ATOM 1189 OH TYR B 101 15.224 7.972 -10.639 1.00 0.00 O ATOM 0 H TYR B 101 17.251 2.565 -4.938 1.00 0.00 H new ATOM 0 HA TYR B 101 16.551 5.325 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR B 101 17.942 4.133 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR B 101 16.573 3.127 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR B 101 14.908 3.907 -8.708 1.00 0.00 H new ATOM 0 HD2 TYR B 101 17.831 6.623 -7.212 1.00 0.00 H new ATOM 0 HE1 TYR B 101 14.201 5.577 -10.363 1.00 0.00 H new ATOM 0 HE2 TYR B 101 17.125 8.294 -8.867 1.00 0.00 H new ATOM 0 HH TYR B 101 15.762 8.784 -10.533 1.00 0.00 H new ATOM 1199 N ARG B 102 14.162 3.097 -5.350 1.00 0.00 N ATOM 1200 CA ARG B 102 12.719 2.952 -5.455 1.00 0.00 C ATOM 1201 C ARG B 102 12.034 3.375 -4.157 1.00 0.00 C ATOM 1202 O ARG B 102 10.887 3.796 -4.175 1.00 0.00 O ATOM 1203 CB ARG B 102 12.312 1.523 -5.863 1.00 0.00 C ATOM 1204 CG ARG B 102 12.190 0.526 -4.719 1.00 0.00 C ATOM 1205 CD ARG B 102 11.843 -0.861 -5.242 1.00 0.00 C ATOM 1206 NE ARG B 102 11.548 -1.808 -4.165 1.00 0.00 N ATOM 1207 CZ ARG B 102 12.261 -2.912 -3.916 1.00 0.00 C ATOM 1208 NH1 ARG B 102 13.318 -3.216 -4.666 1.00 0.00 N ATOM 1209 NH2 ARG B 102 11.914 -3.714 -2.916 1.00 0.00 N ATOM 0 H ARG B 102 14.669 2.231 -5.169 1.00 0.00 H new ATOM 0 HA ARG B 102 12.381 3.618 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG B 102 11.356 1.571 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG B 102 13.045 1.144 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG B 102 13.128 0.486 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG B 102 11.421 0.859 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG B 102 10.981 -0.791 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG B 102 12.674 -1.240 -5.837 1.00 0.00 H new ATOM 0 HE ARG B 102 10.746 -1.613 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG B 102 13.589 -2.605 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG B 102 13.857 -4.060 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG B 102 11.104 -3.488 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG B 102 12.457 -4.556 -2.726 1.00 0.00 H new ATOM 1223 N VAL B 103 12.747 3.300 -3.039 1.00 0.00 N ATOM 1224 CA VAL B 103 12.173 3.690 -1.753 1.00 0.00 C ATOM 1225 C VAL B 103 11.882 5.191 -1.723 1.00 0.00 C ATOM 1226 O VAL B 103 10.818 5.604 -1.272 1.00 0.00 O ATOM 1227 CB VAL B 103 13.095 3.315 -0.573 1.00 0.00 C ATOM 1228 CG1 VAL B 103 12.418 3.539 0.763 1.00 0.00 C ATOM 1229 CG2 VAL B 103 13.545 1.877 -0.673 1.00 0.00 C ATOM 0 H VAL B 103 13.713 2.977 -2.994 1.00 0.00 H new ATOM 0 HA VAL B 103 11.239 3.139 -1.641 1.00 0.00 H new ATOM 0 HB VAL B 103 13.965 3.969 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.100 3.263 1.567 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.147 4.590 0.862 1.00 0.00 H new ATOM 0 HG13 VAL B 103 11.519 2.925 0.823 1.00 0.00 H new ATOM 0 HG21 VAL B 103 14.193 1.639 0.170 1.00 0.00 H new ATOM 0 HG22 VAL B 103 12.674 1.221 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL B 103 14.093 1.731 -1.604 1.00 0.00 H new ATOM 1239 N GLU B 104 12.817 6.005 -2.212 1.00 0.00 N ATOM 1240 CA GLU B 104 12.598 7.451 -2.266 1.00 0.00 C ATOM 1241 C GLU B 104 11.473 7.824 -3.223 1.00 0.00 C ATOM 1242 O GLU B 104 10.658 8.686 -2.901 1.00 0.00 O ATOM 1243 CB GLU B 104 13.867 8.223 -2.627 1.00 0.00 C ATOM 1244 CG GLU B 104 14.713 7.559 -3.685 1.00 0.00 C ATOM 1245 CD GLU B 104 15.755 8.495 -4.255 1.00 0.00 C ATOM 1246 OE1 GLU B 104 15.554 8.998 -5.381 1.00 0.00 O ATOM 1247 OE2 GLU B 104 16.767 8.756 -3.572 1.00 0.00 O ATOM 0 H GLU B 104 13.720 5.695 -2.571 1.00 0.00 H new ATOM 0 HA GLU B 104 12.304 7.741 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.588 9.218 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.467 8.355 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.206 6.686 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.070 7.201 -4.489 1.00 0.00 H new ATOM 1254 N VAL B 105 11.411 7.193 -4.396 1.00 0.00 N ATOM 1255 CA VAL B 105 10.290 7.448 -5.293 1.00 0.00 C ATOM 1256 C VAL B 105 8.993 7.002 -4.639 1.00 0.00 C ATOM 1257 O VAL B 105 8.000 7.704 -4.718 1.00 0.00 O ATOM 1258 CB VAL B 105 10.454 6.815 -6.707 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.223 5.518 -6.659 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.111 6.577 -7.370 1.00 0.00 C ATOM 0 H VAL B 105 12.101 6.523 -4.737 1.00 0.00 H new ATOM 0 HA VAL B 105 10.265 8.524 -5.463 1.00 0.00 H new ATOM 0 HB VAL B 105 11.021 7.534 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL B 105 11.314 5.111 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.217 5.699 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL B 105 10.695 4.805 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.264 6.135 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL B 105 8.517 5.900 -6.756 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.585 7.526 -7.476 1.00 0.00 H new ATOM 1270 N GLN B 106 9.012 5.869 -3.946 1.00 0.00 N ATOM 1271 CA GLN B 106 7.835 5.421 -3.208 1.00 0.00 C ATOM 1272 C GLN B 106 7.452 6.454 -2.148 1.00 0.00 C ATOM 1273 O GLN B 106 6.289 6.824 -2.033 1.00 0.00 O ATOM 1274 CB GLN B 106 8.079 4.051 -2.562 1.00 0.00 C ATOM 1275 CG GLN B 106 8.233 2.917 -3.562 1.00 0.00 C ATOM 1276 CD GLN B 106 7.044 2.773 -4.489 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.110 2.027 -4.207 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.073 3.483 -5.602 1.00 0.00 N ATOM 0 H GLN B 106 9.819 5.249 -3.879 1.00 0.00 H new ATOM 0 HA GLN B 106 7.009 5.317 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN B 106 8.978 4.105 -1.948 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.249 3.823 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.131 3.085 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN B 106 8.379 1.982 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN B 106 7.868 4.091 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.300 3.423 -6.265 1.00 0.00 H new ATOM 1287 N ASN B 107 8.450 6.928 -1.405 1.00 0.00 N ATOM 1288 CA ASN B 107 8.272 7.999 -0.415 1.00 0.00 C ATOM 1289 C ASN B 107 7.540 9.201 -1.028 1.00 0.00 C ATOM 1290 O ASN B 107 6.651 9.789 -0.412 1.00 0.00 O ATOM 1291 CB ASN B 107 9.644 8.439 0.107 1.00 0.00 C ATOM 1292 CG ASN B 107 9.564 9.512 1.176 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.591 9.595 1.929 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.594 10.342 1.253 1.00 0.00 N ATOM 0 H ASN B 107 9.408 6.583 -1.469 1.00 0.00 H new ATOM 0 HA ASN B 107 7.667 7.616 0.407 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.166 7.572 0.511 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.240 8.810 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.601 11.083 1.954 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.380 10.240 0.611 1.00 0.00 H new ATOM 1301 N ARG B 108 7.910 9.545 -2.254 1.00 0.00 N ATOM 1302 CA ARG B 108 7.330 10.686 -2.950 1.00 0.00 C ATOM 1303 C ARG B 108 5.960 10.348 -3.541 1.00 0.00 C ATOM 1304 O ARG B 108 4.981 11.063 -3.325 1.00 0.00 O ATOM 1305 CB ARG B 108 8.277 11.133 -4.058 1.00 0.00 C ATOM 1306 CG ARG B 108 9.632 11.594 -3.548 1.00 0.00 C ATOM 1307 CD ARG B 108 10.568 11.950 -4.689 1.00 0.00 C ATOM 1308 NE ARG B 108 10.042 13.039 -5.508 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.760 13.717 -6.402 1.00 0.00 C ATOM 1310 NH1 ARG B 108 12.040 13.420 -6.597 1.00 0.00 N ATOM 1311 NH2 ARG B 108 10.195 14.695 -7.098 1.00 0.00 N ATOM 0 H ARG B 108 8.617 9.044 -2.792 1.00 0.00 H new ATOM 0 HA ARG B 108 7.190 11.492 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.422 10.308 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG B 108 7.812 11.946 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.502 12.461 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.080 10.807 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.539 12.236 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG B 108 10.729 11.071 -5.314 1.00 0.00 H new ATOM 0 HE ARG B 108 9.062 13.297 -5.388 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.477 12.670 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG B 108 12.586 13.942 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG B 108 9.213 14.926 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG B 108 10.743 15.216 -7.783 1.00 0.00 H new ATOM 1325 N VAL B 109 5.911 9.255 -4.289 1.00 0.00 N ATOM 1326 CA VAL B 109 4.684 8.774 -4.919 1.00 0.00 C ATOM 1327 C VAL B 109 3.580 8.586 -3.893 1.00 0.00 C ATOM 1328 O VAL B 109 2.457 9.047 -4.083 1.00 0.00 O ATOM 1329 CB VAL B 109 4.934 7.437 -5.651 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.645 6.834 -6.188 1.00 0.00 C ATOM 1331 CG2 VAL B 109 5.923 7.650 -6.776 1.00 0.00 C ATOM 0 H VAL B 109 6.726 8.671 -4.479 1.00 0.00 H new ATOM 0 HA VAL B 109 4.370 9.527 -5.641 1.00 0.00 H new ATOM 0 HB VAL B 109 5.346 6.731 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL B 109 3.866 5.895 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL B 109 2.959 6.647 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.185 7.527 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.098 6.705 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.521 8.378 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL B 109 6.864 8.020 -6.368 1.00 0.00 H new ATOM 1341 N TYR B 110 3.914 7.921 -2.801 1.00 0.00 N ATOM 1342 CA TYR B 110 2.952 7.656 -1.746 1.00 0.00 C ATOM 1343 C TYR B 110 2.439 8.956 -1.125 1.00 0.00 C ATOM 1344 O TYR B 110 1.302 9.025 -0.660 1.00 0.00 O ATOM 1345 CB TYR B 110 3.570 6.756 -0.671 1.00 0.00 C ATOM 1346 CG TYR B 110 3.757 5.305 -1.080 1.00 0.00 C ATOM 1347 CD1 TYR B 110 3.080 4.759 -2.167 1.00 0.00 C ATOM 1348 CD2 TYR B 110 4.596 4.474 -0.351 1.00 0.00 C ATOM 1349 CE1 TYR B 110 3.239 3.430 -2.512 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.763 3.146 -0.694 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.081 2.628 -1.772 1.00 0.00 C ATOM 1352 OH TYR B 110 4.238 1.301 -2.106 1.00 0.00 O ATOM 0 H TYR B 110 4.848 7.553 -2.621 1.00 0.00 H new ATOM 0 HA TYR B 110 2.102 7.138 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.539 7.166 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR B 110 2.938 6.789 0.217 1.00 0.00 H new ATOM 0 HD1 TYR B 110 2.420 5.384 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR B 110 5.128 4.873 0.500 1.00 0.00 H new ATOM 0 HE1 TYR B 110 2.706 3.022 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR B 110 5.426 2.517 -0.119 1.00 0.00 H new ATOM 0 HH TYR B 110 4.869 1.224 -2.852 1.00 0.00 H new ATOM 1362 N LYS B 111 3.272 9.991 -1.140 1.00 0.00 N ATOM 1363 CA LYS B 111 2.878 11.296 -0.622 1.00 0.00 C ATOM 1364 C LYS B 111 1.791 11.907 -1.496 1.00 0.00 C ATOM 1365 O LYS B 111 0.838 12.504 -0.995 1.00 0.00 O ATOM 1366 CB LYS B 111 4.095 12.228 -0.554 1.00 0.00 C ATOM 1367 CG LYS B 111 3.782 13.640 -0.074 1.00 0.00 C ATOM 1368 CD LYS B 111 3.196 13.648 1.328 1.00 0.00 C ATOM 1369 CE LYS B 111 2.997 15.066 1.842 1.00 0.00 C ATOM 1370 NZ LYS B 111 2.088 15.859 0.971 1.00 0.00 N ATOM 0 H LYS B 111 4.224 9.952 -1.505 1.00 0.00 H new ATOM 0 HA LYS B 111 2.480 11.167 0.385 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.838 11.788 0.111 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.548 12.286 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS B 111 4.693 14.238 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.080 14.110 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS B 111 2.241 13.123 1.327 1.00 0.00 H new ATOM 0 HD3 LYS B 111 3.858 13.105 2.003 1.00 0.00 H new ATOM 0 HE2 LYS B 111 2.589 15.030 2.852 1.00 0.00 H new ATOM 0 HE3 LYS B 111 3.963 15.566 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 2.618 16.643 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 1.703 15.247 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 1.307 16.242 1.541 1.00 0.00 H new ATOM 1384 N LYS B 112 1.927 11.731 -2.802 1.00 0.00 N ATOM 1385 CA LYS B 112 0.972 12.267 -3.750 1.00 0.00 C ATOM 1386 C LYS B 112 -0.343 11.498 -3.657 1.00 0.00 C ATOM 1387 O LYS B 112 -1.426 12.065 -3.832 1.00 0.00 O ATOM 1388 CB LYS B 112 1.565 12.190 -5.150 1.00 0.00 C ATOM 1389 CG LYS B 112 1.077 11.020 -5.946 1.00 0.00 C ATOM 1390 CD LYS B 112 1.969 10.766 -7.141 1.00 0.00 C ATOM 1391 CE LYS B 112 1.723 9.390 -7.710 1.00 0.00 C ATOM 1392 NZ LYS B 112 0.313 9.193 -8.134 1.00 0.00 N ATOM 0 H LYS B 112 2.698 11.216 -3.228 1.00 0.00 H new ATOM 0 HA LYS B 112 0.761 13.311 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS B 112 1.327 13.108 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS B 112 2.651 12.138 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS B 112 1.049 10.132 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS B 112 0.057 11.205 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS B 112 1.783 11.520 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS B 112 3.014 10.862 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS B 112 2.381 9.231 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS B 112 1.983 8.640 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 0.292 8.797 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 -0.158 8.537 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 -0.183 10.107 -8.125 1.00 0.00 H new ATOM 1406 N GLU B 113 -0.234 10.206 -3.362 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.400 9.351 -3.190 1.00 0.00 C ATOM 1408 C GLU B 113 -2.304 9.880 -2.094 1.00 0.00 C ATOM 1409 O GLU B 113 -3.506 9.983 -2.284 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.971 7.930 -2.853 1.00 0.00 C ATOM 1411 CG GLU B 113 -0.089 7.313 -3.914 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.831 7.050 -5.211 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -1.287 5.904 -5.418 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -0.966 7.986 -6.030 1.00 0.00 O ATOM 0 H GLU B 113 0.658 9.727 -3.237 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.953 9.348 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.438 7.933 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.858 7.310 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU B 113 0.754 7.975 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.322 6.376 -3.539 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.718 10.224 -0.956 1.00 0.00 N ATOM 1422 CA ILE B 114 -2.482 10.719 0.180 1.00 0.00 C ATOM 1423 C ILE B 114 -3.217 12.018 -0.154 1.00 0.00 C ATOM 1424 O ILE B 114 -4.280 12.300 0.398 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.566 10.932 1.395 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.885 9.611 1.742 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -2.357 11.462 2.583 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.124 9.718 2.856 1.00 0.00 C ATOM 0 H ILE B 114 -0.712 10.169 -0.795 1.00 0.00 H new ATOM 0 HA ILE B 114 -3.229 9.963 0.423 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.808 11.675 1.149 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.647 8.884 2.024 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.389 9.224 0.852 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.688 11.605 3.431 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.816 12.415 2.319 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -3.134 10.746 2.851 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.564 8.739 3.044 1.00 0.00 H new ATOM 0 HD12 ILE B 114 0.908 10.419 2.571 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.369 10.074 3.761 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.657 12.799 -1.064 1.00 0.00 N ATOM 1441 CA GLN B 115 -3.274 14.052 -1.470 1.00 0.00 C ATOM 1442 C GLN B 115 -4.458 13.783 -2.390 1.00 0.00 C ATOM 1443 O GLN B 115 -5.503 14.426 -2.284 1.00 0.00 O ATOM 1444 CB GLN B 115 -2.245 14.936 -2.158 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.950 15.029 -1.373 1.00 0.00 C ATOM 1446 CD GLN B 115 0.006 16.072 -1.907 1.00 0.00 C ATOM 1447 OE1 GLN B 115 1.222 15.902 -1.838 1.00 0.00 O ATOM 1448 NE2 GLN B 115 -0.530 17.168 -2.414 1.00 0.00 N ATOM 0 H GLN B 115 -1.777 12.588 -1.535 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.642 14.572 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -2.037 14.541 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -2.659 15.935 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -1.181 15.258 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -0.457 14.057 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.544 17.269 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.070 17.913 -2.767 1.00 0.00 H new ATOM 1457 N ALA B 116 -4.288 12.822 -3.286 1.00 0.00 N ATOM 1458 CA ALA B 116 -5.385 12.359 -4.126 1.00 0.00 C ATOM 1459 C ALA B 116 -6.453 11.705 -3.258 1.00 0.00 C ATOM 1460 O ALA B 116 -7.647 11.968 -3.401 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.873 11.371 -5.161 1.00 0.00 C ATOM 0 H ALA B 116 -3.401 12.347 -3.451 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.820 13.212 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.702 11.033 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -4.124 11.856 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.425 10.515 -4.656 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.985 10.868 -2.342 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.829 10.198 -1.363 1.00 0.00 C ATOM 1469 C LEU B 117 -7.639 11.208 -0.573 1.00 0.00 C ATOM 1470 O LEU B 117 -8.784 10.960 -0.237 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.955 9.380 -0.404 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.754 7.895 -0.746 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -5.756 7.654 -2.246 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -4.445 7.405 -0.155 1.00 0.00 C ATOM 0 H LEU B 117 -4.996 10.633 -2.257 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.516 9.537 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.974 9.852 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.393 9.443 0.592 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.589 7.341 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.611 6.592 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.710 7.974 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.948 8.223 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.307 6.352 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -3.620 7.985 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.467 7.526 0.928 1.00 0.00 H new ATOM 1486 N ASP B 118 -7.035 12.355 -0.301 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.672 13.401 0.494 1.00 0.00 C ATOM 1488 C ASP B 118 -8.926 13.940 -0.204 1.00 0.00 C ATOM 1489 O ASP B 118 -9.895 14.338 0.447 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.670 14.524 0.764 1.00 0.00 C ATOM 1491 CG ASP B 118 -7.259 15.660 1.575 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -7.738 16.640 0.969 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -7.229 15.588 2.823 1.00 0.00 O ATOM 0 H ASP B 118 -6.095 12.589 -0.622 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.988 12.974 1.446 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.809 14.116 1.293 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -6.305 14.914 -0.186 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.913 13.930 -1.531 1.00 0.00 N ATOM 1499 CA ALA B 119 -10.091 14.306 -2.303 1.00 0.00 C ATOM 1500 C ALA B 119 -11.141 13.202 -2.217 1.00 0.00 C ATOM 1501 O ALA B 119 -12.343 13.458 -2.107 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.715 14.577 -3.750 1.00 0.00 C ATOM 0 H ALA B 119 -8.104 13.667 -2.093 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.510 15.221 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.607 14.856 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.990 15.390 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.278 13.679 -4.187 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.674 11.966 -2.257 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.534 10.822 -2.042 1.00 0.00 C ATOM 1510 C GLU B 120 -12.048 10.808 -0.598 1.00 0.00 C ATOM 1511 O GLU B 120 -13.109 10.274 -0.316 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.785 9.535 -2.355 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.777 9.134 -3.825 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.109 10.134 -4.750 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -10.780 11.094 -5.179 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -8.924 9.937 -5.090 1.00 0.00 O ATOM 0 H GLU B 120 -9.698 11.731 -2.438 1.00 0.00 H new ATOM 0 HA GLU B 120 -12.390 10.896 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.754 9.642 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.228 8.725 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.270 8.174 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.806 8.987 -4.153 1.00 0.00 H new ATOM 1523 N ILE B 121 -11.286 11.381 0.322 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.755 11.553 1.692 1.00 0.00 C ATOM 1525 C ILE B 121 -13.088 12.299 1.694 1.00 0.00 C ATOM 1526 O ILE B 121 -13.955 12.029 2.516 1.00 0.00 O ATOM 1527 CB ILE B 121 -10.705 12.289 2.575 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.928 11.289 3.436 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -11.350 13.349 3.458 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -9.132 10.280 2.642 1.00 0.00 C ATOM 0 H ILE B 121 -10.345 11.734 0.148 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.900 10.564 2.127 1.00 0.00 H new ATOM 0 HB ILE B 121 -10.012 12.793 1.901 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -9.250 11.838 4.089 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -10.629 10.758 4.079 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -10.583 13.839 4.058 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.849 14.089 2.832 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -12.080 12.879 4.116 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -8.611 9.609 3.325 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.805 9.702 2.009 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -8.404 10.800 2.019 1.00 0.00 H new ATOM 1542 N ARG B 122 -13.251 13.208 0.740 1.00 0.00 N ATOM 1543 CA ARG B 122 -14.505 13.940 0.573 1.00 0.00 C ATOM 1544 C ARG B 122 -15.668 12.986 0.303 1.00 0.00 C ATOM 1545 O ARG B 122 -16.731 13.105 0.915 1.00 0.00 O ATOM 1546 CB ARG B 122 -14.370 14.936 -0.574 1.00 0.00 C ATOM 1547 CG ARG B 122 -15.604 15.786 -0.819 1.00 0.00 C ATOM 1548 CD ARG B 122 -15.317 16.848 -1.863 1.00 0.00 C ATOM 1549 NE ARG B 122 -14.116 17.615 -1.525 1.00 0.00 N ATOM 1550 CZ ARG B 122 -13.132 17.886 -2.382 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -13.233 17.524 -3.656 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -12.051 18.531 -1.965 1.00 0.00 N ATOM 0 H ARG B 122 -12.527 13.458 0.066 1.00 0.00 H new ATOM 0 HA ARG B 122 -14.716 14.476 1.498 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -13.526 15.594 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -14.134 14.389 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -16.428 15.154 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.919 16.258 0.112 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -15.188 16.377 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -16.170 17.521 -1.944 1.00 0.00 H new ATOM 0 HE ARG B 122 -14.027 17.965 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -14.067 17.036 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -12.477 17.734 -4.307 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -11.973 18.819 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -11.297 18.739 -2.620 1.00 0.00 H new ATOM 1566 N LYS B 123 -15.467 12.040 -0.614 1.00 0.00 N ATOM 1567 CA LYS B 123 -16.503 11.044 -0.911 1.00 0.00 C ATOM 1568 C LYS B 123 -16.753 10.184 0.325 1.00 0.00 C ATOM 1569 O LYS B 123 -17.887 9.796 0.617 1.00 0.00 O ATOM 1570 CB LYS B 123 -16.104 10.163 -2.109 1.00 0.00 C ATOM 1571 CG LYS B 123 -15.102 9.064 -1.778 1.00 0.00 C ATOM 1572 CD LYS B 123 -14.196 8.747 -2.953 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.959 8.147 -4.108 1.00 0.00 C ATOM 1574 NZ LYS B 123 -14.199 8.238 -5.381 1.00 0.00 N ATOM 0 H LYS B 123 -14.610 11.940 -1.159 1.00 0.00 H new ATOM 0 HA LYS B 123 -17.421 11.567 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -17.003 9.705 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.683 10.799 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.496 9.371 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.638 8.163 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.697 9.658 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.417 8.054 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.182 7.102 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.914 8.660 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -14.863 8.328 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -13.576 9.070 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -13.625 7.380 -5.505 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.681 9.908 1.054 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.772 9.162 2.293 1.00 0.00 C ATOM 1590 C LEU B 124 -16.598 9.923 3.317 1.00 0.00 C ATOM 1591 O LEU B 124 -17.488 9.350 3.936 1.00 0.00 O ATOM 1592 CB LEU B 124 -14.379 8.873 2.857 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.537 7.879 2.055 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -12.172 7.706 2.701 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.247 6.542 1.952 1.00 0.00 C ATOM 0 H LEU B 124 -14.734 10.193 0.804 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.265 8.214 2.078 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.832 9.813 2.926 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.489 8.493 3.873 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.400 8.273 1.048 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.582 6.996 2.121 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.658 8.667 2.729 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.295 7.331 3.717 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.633 5.847 1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.412 6.140 2.952 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -15.206 6.677 1.452 1.00 0.00 H new ATOM 1607 N GLU B 125 -16.310 11.219 3.473 1.00 0.00 N ATOM 1608 CA GLU B 125 -17.012 12.066 4.436 1.00 0.00 C ATOM 1609 C GLU B 125 -18.522 11.948 4.284 1.00 0.00 C ATOM 1610 O GLU B 125 -19.257 12.040 5.263 1.00 0.00 O ATOM 1611 CB GLU B 125 -16.588 13.533 4.297 1.00 0.00 C ATOM 1612 CG GLU B 125 -15.147 13.794 4.699 1.00 0.00 C ATOM 1613 CD GLU B 125 -14.795 15.268 4.693 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -14.746 15.873 5.786 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -14.564 15.834 3.603 1.00 0.00 O ATOM 0 H GLU B 125 -15.590 11.705 2.939 1.00 0.00 H new ATOM 0 HA GLU B 125 -16.736 11.715 5.430 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -16.729 13.846 3.263 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -17.244 14.151 4.910 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -14.973 13.387 5.695 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -14.482 13.263 4.017 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.977 11.728 3.058 1.00 0.00 N ATOM 1623 CA ARG B 126 -20.396 11.525 2.797 1.00 0.00 C ATOM 1624 C ARG B 126 -20.900 10.306 3.559 1.00 0.00 C ATOM 1625 O ARG B 126 -21.949 10.350 4.198 1.00 0.00 O ATOM 1626 CB ARG B 126 -20.645 11.348 1.298 1.00 0.00 C ATOM 1627 CG ARG B 126 -20.065 12.466 0.450 1.00 0.00 C ATOM 1628 CD ARG B 126 -20.598 13.820 0.880 1.00 0.00 C ATOM 1629 NE ARG B 126 -19.985 14.914 0.131 1.00 0.00 N ATOM 1630 CZ ARG B 126 -19.417 15.976 0.698 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.353 16.075 2.022 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -18.908 16.938 -0.059 1.00 0.00 N ATOM 0 H ARG B 126 -18.385 11.686 2.229 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.941 12.406 3.138 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -20.216 10.399 0.976 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -21.719 11.288 1.121 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.978 12.459 0.530 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -20.309 12.294 -0.598 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -21.679 13.845 0.739 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -20.412 13.961 1.945 1.00 0.00 H new ATOM 0 HE ARG B 126 -19.993 14.861 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -19.740 15.335 2.608 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -18.917 16.891 2.452 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -18.952 16.864 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -18.473 17.752 0.375 1.00 0.00 H new ATOM 1646 N LEU B 127 -20.133 9.224 3.501 1.00 0.00 N ATOM 1647 CA LEU B 127 -20.483 7.998 4.209 1.00 0.00 C ATOM 1648 C LEU B 127 -20.237 8.123 5.714 1.00 0.00 C ATOM 1649 O LEU B 127 -21.036 7.635 6.513 1.00 0.00 O ATOM 1650 CB LEU B 127 -19.721 6.801 3.634 1.00 0.00 C ATOM 1651 CG LEU B 127 -20.371 6.138 2.412 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -21.731 5.566 2.779 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -20.512 7.126 1.263 1.00 0.00 C ATOM 0 H LEU B 127 -19.264 9.170 2.970 1.00 0.00 H new ATOM 0 HA LEU B 127 -21.550 7.831 4.063 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -18.718 7.127 3.360 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -19.609 6.051 4.417 1.00 0.00 H new ATOM 0 HG LEU B 127 -19.721 5.326 2.086 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -22.178 5.099 1.901 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -21.612 4.821 3.565 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -22.379 6.367 3.134 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -20.975 6.629 0.411 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -21.135 7.963 1.578 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -19.527 7.494 0.977 1.00 0.00 H new ATOM 1665 N LEU B 128 -19.127 8.752 6.101 1.00 0.00 N ATOM 1666 CA LEU B 128 -18.888 9.111 7.487 1.00 0.00 C ATOM 1667 C LEU B 128 -20.101 9.807 8.092 1.00 0.00 C ATOM 1668 O LEU B 128 -20.683 9.324 9.064 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.679 10.033 7.571 1.00 0.00 C ATOM 1670 CG LEU B 128 -16.320 9.340 7.584 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -16.037 8.585 6.302 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -15.227 10.356 7.857 1.00 0.00 C ATOM 0 H LEU B 128 -18.378 9.022 5.464 1.00 0.00 H new ATOM 0 HA LEU B 128 -18.701 8.197 8.051 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.709 10.719 6.725 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.767 10.637 8.474 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.340 8.599 8.383 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -15.057 8.112 6.367 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -16.800 7.821 6.154 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -16.050 9.278 5.461 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -14.259 9.855 7.865 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -15.235 11.118 7.077 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -15.401 10.826 8.825 1.00 0.00 H new ATOM 1684 N GLU B 129 -20.474 10.936 7.502 1.00 0.00 N ATOM 1685 CA GLU B 129 -21.641 11.697 7.946 1.00 0.00 C ATOM 1686 C GLU B 129 -22.913 10.854 7.887 1.00 0.00 C ATOM 1687 O GLU B 129 -23.807 11.004 8.723 1.00 0.00 O ATOM 1688 CB GLU B 129 -21.823 12.948 7.088 1.00 0.00 C ATOM 1689 CG GLU B 129 -20.672 13.934 7.180 1.00 0.00 C ATOM 1690 CD GLU B 129 -20.933 15.197 6.389 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -21.414 16.184 6.982 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -20.661 15.215 5.169 1.00 0.00 O ATOM 0 H GLU B 129 -19.983 11.349 6.709 1.00 0.00 H new ATOM 0 HA GLU B 129 -21.465 11.988 8.982 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -21.948 12.647 6.048 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -22.743 13.450 7.387 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -20.500 14.192 8.225 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -19.761 13.461 6.814 1.00 0.00 H new ATOM 1699 N SER B 130 -22.989 9.973 6.893 1.00 0.00 N ATOM 1700 CA SER B 130 -24.144 9.098 6.718 1.00 0.00 C ATOM 1701 C SER B 130 -24.246 8.100 7.872 1.00 0.00 C ATOM 1702 O SER B 130 -25.334 7.626 8.206 1.00 0.00 O ATOM 1703 CB SER B 130 -24.047 8.356 5.382 1.00 0.00 C ATOM 1704 OG SER B 130 -25.255 7.680 5.075 1.00 0.00 O ATOM 0 H SER B 130 -22.259 9.846 6.192 1.00 0.00 H new ATOM 0 HA SER B 130 -25.044 9.712 6.716 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.813 9.064 4.587 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.227 7.639 5.421 1.00 0.00 H new ATOM 0 HG SER B 130 -25.162 7.217 4.216 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.109 7.792 8.481 1.00 0.00 N ATOM 1711 CA GLY B 131 -23.099 6.912 9.632 1.00 0.00 C ATOM 1712 C GLY B 131 -22.438 5.577 9.359 1.00 0.00 C ATOM 1713 O GLY B 131 -22.657 4.615 10.091 1.00 0.00 O ATOM 0 H GLY B 131 -22.192 8.137 8.198 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -22.580 7.406 10.454 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -24.125 6.742 9.960 1.00 0.00 H new ATOM 1717 N LEU B 132 -21.628 5.508 8.312 1.00 0.00 N ATOM 1718 CA LEU B 132 -20.918 4.282 7.989 1.00 0.00 C ATOM 1719 C LEU B 132 -19.625 4.178 8.791 1.00 0.00 C ATOM 1720 O LEU B 132 -19.485 3.314 9.659 1.00 0.00 O ATOM 1721 CB LEU B 132 -20.606 4.234 6.495 1.00 0.00 C ATOM 1722 CG LEU B 132 -19.786 3.030 6.036 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -20.588 1.745 6.162 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -19.317 3.240 4.612 1.00 0.00 C ATOM 0 H LEU B 132 -21.448 6.284 7.675 1.00 0.00 H new ATOM 0 HA LEU B 132 -21.557 3.438 8.250 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -21.546 4.243 5.944 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -20.069 5.143 6.224 1.00 0.00 H new ATOM 0 HG LEU B 132 -18.912 2.936 6.681 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -19.981 0.903 5.829 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -20.875 1.596 7.203 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -21.484 1.813 5.545 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -18.733 2.378 4.290 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -20.181 3.357 3.958 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -18.699 4.136 4.561 1.00 0.00 H new ATOM 1736 N THR B 133 -18.686 5.061 8.495 1.00 0.00 N ATOM 1737 CA THR B 133 -17.390 5.050 9.146 1.00 0.00 C ATOM 1738 C THR B 133 -17.417 5.914 10.403 1.00 0.00 C ATOM 1739 O THR B 133 -17.549 7.148 10.272 1.00 0.00 O ATOM 1740 CB THR B 133 -16.295 5.555 8.190 1.00 0.00 C ATOM 1741 OG1 THR B 133 -16.407 4.883 6.929 1.00 0.00 O ATOM 1742 CG2 THR B 133 -14.908 5.315 8.766 1.00 0.00 C ATOM 1743 OXT THR B 133 -17.308 5.358 11.516 1.00 0.00 O ATOM 0 H THR B 133 -18.801 5.800 7.801 1.00 0.00 H new ATOM 0 HA THR B 133 -17.162 4.022 9.427 1.00 0.00 H new ATOM 0 HB THR B 133 -16.432 6.628 8.055 1.00 0.00 H new ATOM 0 HG1 THR B 133 -15.710 5.208 6.322 1.00 0.00 H new ATOM 0 HG21 THR B 133 -14.156 5.682 8.068 1.00 0.00 H new ATOM 0 HG22 THR B 133 -14.812 5.843 9.715 1.00 0.00 H new ATOM 0 HG23 THR B 133 -14.761 4.247 8.929 1.00 0.00 H new TER 1751 THR B 133