USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 920 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl -128:sc= -0.109 (180deg=-1.97!) USER MOD Set 1.2: A 50 CYS SG : rot 58:sc= 0.491 USER MOD Set 1.3: A 65 GLN : amide:sc= -0.948 K(o=-0.57,f=0.34) USER MOD Single : A 3 TYR OH : rot -138:sc= 0.667 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 1.05 (180deg=0.975) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.559) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 1.72 (180deg=0.784!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.95) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= 1.28 (180deg=0.916) USER MOD Single : A 51 TYR OH : rot 167:sc= -0.115 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 1.52 (180deg=1.48) USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= 0.82 (180deg=-0.825) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 171:sc= 0.106 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0301) USER MOD Single : A 77 SER OG : rot 160:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.5) USER MOD Single : B 70 LYS NZ :NH3+ 161:sc= -0.0275 (180deg=-0.286) USER MOD Single : B 75 THR OG1 : rot 180:sc= -0.339 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 8.078 12.729 -5.461 1.00 0.00 N ATOM 19 CA ALA A 2 9.391 12.266 -5.843 1.00 0.00 C ATOM 20 C ALA A 2 9.323 10.794 -6.125 1.00 0.00 C ATOM 21 O ALA A 2 9.948 10.295 -7.054 1.00 0.00 O ATOM 22 CB ALA A 2 10.410 12.548 -4.762 1.00 0.00 C ATOM 0 HA ALA A 2 9.708 12.802 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.388 12.187 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.461 13.622 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.117 12.039 -3.844 1.00 0.00 H new ATOM 28 N TYR A 3 8.558 10.105 -5.321 1.00 0.00 N ATOM 29 CA TYR A 3 8.353 8.700 -5.506 1.00 0.00 C ATOM 30 C TYR A 3 7.169 8.491 -6.399 1.00 0.00 C ATOM 31 O TYR A 3 6.187 9.217 -6.295 1.00 0.00 O ATOM 32 CB TYR A 3 8.182 7.978 -4.166 1.00 0.00 C ATOM 33 CG TYR A 3 9.476 7.835 -3.374 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.981 8.886 -2.617 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.196 6.641 -3.397 1.00 0.00 C ATOM 36 CE1 TYR A 3 11.163 8.753 -1.903 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.377 6.500 -2.686 1.00 0.00 C ATOM 38 CZ TYR A 3 11.858 7.557 -1.940 1.00 0.00 C ATOM 39 OH TYR A 3 13.043 7.425 -1.224 1.00 0.00 O ATOM 0 H TYR A 3 8.063 10.503 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 3 9.235 8.270 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.455 8.521 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.767 6.987 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.444 9.822 -2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.826 5.810 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.540 9.580 -1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.919 5.566 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 3 13.703 6.948 -1.769 1.00 0.00 H new ATOM 49 N PHE A 4 7.276 7.554 -7.302 1.00 0.00 N ATOM 50 CA PHE A 4 6.198 7.267 -8.217 1.00 0.00 C ATOM 51 C PHE A 4 5.283 6.236 -7.579 1.00 0.00 C ATOM 52 O PHE A 4 5.504 5.830 -6.440 1.00 0.00 O ATOM 53 CB PHE A 4 6.742 6.744 -9.557 1.00 0.00 C ATOM 54 CG PHE A 4 7.814 7.606 -10.165 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.520 8.856 -10.681 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.121 7.156 -10.214 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.516 9.640 -11.231 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.117 7.925 -10.759 1.00 0.00 C ATOM 59 CZ PHE A 4 9.819 9.173 -11.271 1.00 0.00 C ATOM 0 H PHE A 4 8.104 6.971 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 4 5.642 8.182 -8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.140 5.740 -9.408 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.916 6.658 -10.263 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.504 9.222 -10.654 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.361 6.181 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.279 10.615 -11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.132 7.556 -10.788 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.600 9.783 -11.701 1.00 0.00 H new ATOM 69 N LEU A 5 4.292 5.794 -8.291 1.00 0.00 N ATOM 70 CA LEU A 5 3.360 4.855 -7.744 1.00 0.00 C ATOM 71 C LEU A 5 3.454 3.551 -8.508 1.00 0.00 C ATOM 72 O LEU A 5 3.688 3.556 -9.720 1.00 0.00 O ATOM 73 CB LEU A 5 1.954 5.449 -7.824 1.00 0.00 C ATOM 74 CG LEU A 5 0.806 4.598 -7.303 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.008 4.234 -5.835 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.491 5.347 -7.479 1.00 0.00 C ATOM 0 H LEU A 5 4.107 6.069 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 5 3.590 4.651 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.953 6.390 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.749 5.690 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 5 0.775 3.670 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.171 3.626 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.935 3.671 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.063 5.145 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.316 4.739 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.449 6.283 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.647 5.561 -8.536 1.00 0.00 H new ATOM 88 N ASP A 6 3.326 2.451 -7.818 1.00 0.00 N ATOM 89 CA ASP A 6 3.364 1.165 -8.471 1.00 0.00 C ATOM 90 C ASP A 6 2.362 0.250 -7.784 1.00 0.00 C ATOM 91 O ASP A 6 2.026 0.471 -6.618 1.00 0.00 O ATOM 92 CB ASP A 6 4.773 0.557 -8.410 1.00 0.00 C ATOM 93 CG ASP A 6 5.068 -0.270 -9.609 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.275 -1.134 -9.925 1.00 0.00 O ATOM 95 OD2 ASP A 6 6.100 -0.018 -10.288 1.00 0.00 O ATOM 0 H ASP A 6 3.195 2.416 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 6 3.105 1.283 -9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.510 1.355 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.866 -0.056 -7.513 1.00 0.00 H new ATOM 100 N PHE A 7 1.879 -0.739 -8.481 1.00 0.00 N ATOM 101 CA PHE A 7 0.895 -1.669 -7.938 1.00 0.00 C ATOM 102 C PHE A 7 1.158 -3.096 -8.330 1.00 0.00 C ATOM 103 O PHE A 7 1.490 -3.395 -9.462 1.00 0.00 O ATOM 104 CB PHE A 7 -0.541 -1.321 -8.339 1.00 0.00 C ATOM 105 CG PHE A 7 -1.206 -0.262 -7.515 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.865 -0.594 -6.345 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.202 1.045 -7.918 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.504 0.372 -5.596 1.00 0.00 C ATOM 109 CE2 PHE A 7 -1.839 2.014 -7.181 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.490 1.681 -6.016 1.00 0.00 C ATOM 0 H PHE A 7 2.149 -0.935 -9.445 1.00 0.00 H new ATOM 0 HA PHE A 7 1.002 -1.567 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.540 -0.998 -9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.143 -2.228 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.879 -1.622 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.691 1.319 -8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.013 0.101 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.829 3.040 -7.517 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.987 2.443 -5.435 1.00 0.00 H new ATOM 120 N ASP A 8 1.004 -3.947 -7.370 1.00 0.00 N ATOM 121 CA ASP A 8 1.074 -5.392 -7.527 1.00 0.00 C ATOM 122 C ASP A 8 -0.124 -5.898 -8.333 1.00 0.00 C ATOM 123 O ASP A 8 -1.211 -5.307 -8.261 1.00 0.00 O ATOM 124 CB ASP A 8 1.094 -6.020 -6.116 1.00 0.00 C ATOM 125 CG ASP A 8 0.571 -7.431 -6.053 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.305 -8.370 -6.373 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.613 -7.598 -5.690 1.00 0.00 O ATOM 0 H ASP A 8 0.818 -3.659 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 8 1.975 -5.674 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.118 -6.008 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.502 -5.396 -5.446 1.00 0.00 H new ATOM 132 N GLU A 9 0.085 -6.964 -9.110 1.00 0.00 N ATOM 133 CA GLU A 9 -0.964 -7.602 -9.916 1.00 0.00 C ATOM 134 C GLU A 9 -2.263 -7.858 -9.160 1.00 0.00 C ATOM 135 O GLU A 9 -3.357 -7.701 -9.725 1.00 0.00 O ATOM 136 CB GLU A 9 -0.477 -8.923 -10.485 1.00 0.00 C ATOM 137 CG GLU A 9 0.002 -8.841 -11.908 1.00 0.00 C ATOM 138 CD GLU A 9 -1.112 -8.469 -12.850 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.246 -9.013 -12.719 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.877 -7.663 -13.766 1.00 0.00 O ATOM 0 H GLU A 9 0.996 -7.414 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.181 -6.887 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.335 -9.298 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.286 -9.651 -10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.802 -8.104 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.425 -9.801 -12.205 1.00 0.00 H new ATOM 147 N ARG A 10 -2.169 -8.235 -7.906 1.00 0.00 N ATOM 148 CA ARG A 10 -3.357 -8.571 -7.157 1.00 0.00 C ATOM 149 C ARG A 10 -3.936 -7.281 -6.623 1.00 0.00 C ATOM 150 O ARG A 10 -5.130 -7.075 -6.669 1.00 0.00 O ATOM 151 CB ARG A 10 -3.058 -9.521 -5.978 1.00 0.00 C ATOM 152 CG ARG A 10 -1.859 -10.438 -6.169 1.00 0.00 C ATOM 153 CD ARG A 10 -1.974 -11.361 -7.363 1.00 0.00 C ATOM 154 NE ARG A 10 -0.669 -11.957 -7.641 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.436 -13.143 -8.169 1.00 0.00 C ATOM 156 NH1 ARG A 10 -1.442 -13.954 -8.483 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.818 -13.532 -8.378 1.00 0.00 N ATOM 0 H ARG A 10 -1.294 -8.316 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.054 -9.089 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.897 -8.922 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.939 -10.136 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.962 -9.828 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.727 -11.039 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.708 -12.142 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.326 -10.807 -8.233 1.00 0.00 H new ATOM 0 HE ARG A 10 0.149 -11.396 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.405 -13.661 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.251 -14.869 -8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.591 -12.915 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.007 -14.448 -8.786 1.00 0.00 H new ATOM 171 N ALA A 11 -3.047 -6.390 -6.158 1.00 0.00 N ATOM 172 CA ALA A 11 -3.409 -5.068 -5.610 1.00 0.00 C ATOM 173 C ALA A 11 -4.260 -4.249 -6.584 1.00 0.00 C ATOM 174 O ALA A 11 -5.137 -3.492 -6.167 1.00 0.00 O ATOM 175 CB ALA A 11 -2.169 -4.294 -5.207 1.00 0.00 C ATOM 0 H ALA A 11 -2.043 -6.567 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.016 -5.247 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.460 -3.323 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.623 -4.852 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.531 -4.150 -6.079 1.00 0.00 H new ATOM 181 N LEU A 12 -4.009 -4.430 -7.871 1.00 0.00 N ATOM 182 CA LEU A 12 -4.796 -3.800 -8.934 1.00 0.00 C ATOM 183 C LEU A 12 -6.269 -4.183 -8.772 1.00 0.00 C ATOM 184 O LEU A 12 -7.175 -3.340 -8.726 1.00 0.00 O ATOM 185 CB LEU A 12 -4.330 -4.329 -10.294 1.00 0.00 C ATOM 186 CG LEU A 12 -2.875 -4.098 -10.690 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.564 -4.884 -11.940 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.608 -2.627 -10.940 1.00 0.00 C ATOM 0 H LEU A 12 -3.251 -5.020 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.669 -2.719 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.516 -5.403 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.961 -3.880 -11.061 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.237 -4.431 -9.871 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.525 -4.720 -12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.725 -5.945 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.217 -4.555 -12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.564 -2.489 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.250 -2.273 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.818 -2.060 -10.033 1.00 0.00 H new ATOM 200 N LYS A 13 -6.471 -5.458 -8.595 1.00 0.00 N ATOM 201 CA LYS A 13 -7.789 -6.054 -8.540 1.00 0.00 C ATOM 202 C LYS A 13 -8.417 -5.730 -7.171 1.00 0.00 C ATOM 203 O LYS A 13 -9.639 -5.719 -7.005 1.00 0.00 O ATOM 204 CB LYS A 13 -7.644 -7.585 -8.705 1.00 0.00 C ATOM 205 CG LYS A 13 -6.556 -8.018 -9.709 1.00 0.00 C ATOM 206 CD LYS A 13 -6.850 -7.606 -11.149 1.00 0.00 C ATOM 207 CE LYS A 13 -5.590 -7.711 -12.030 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.919 -9.034 -11.952 1.00 0.00 N ATOM 0 H LYS A 13 -5.713 -6.131 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.425 -5.662 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.419 -8.023 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.601 -7.996 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.602 -7.588 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.445 -9.101 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.636 -8.241 -11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.225 -6.583 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.864 -7.512 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.883 -6.936 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.019 -8.998 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.734 -9.271 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.533 -9.760 -12.373 1.00 0.00 H new ATOM 222 N GLU A 14 -7.550 -5.436 -6.224 1.00 0.00 N ATOM 223 CA GLU A 14 -7.916 -5.139 -4.858 1.00 0.00 C ATOM 224 C GLU A 14 -8.601 -3.798 -4.703 1.00 0.00 C ATOM 225 O GLU A 14 -9.458 -3.654 -3.872 1.00 0.00 O ATOM 226 CB GLU A 14 -6.698 -5.169 -3.968 1.00 0.00 C ATOM 227 CG GLU A 14 -6.052 -6.532 -3.794 1.00 0.00 C ATOM 228 CD GLU A 14 -6.885 -7.524 -3.029 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.005 -7.830 -3.423 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.411 -8.022 -1.997 1.00 0.00 O ATOM 0 H GLU A 14 -6.544 -5.396 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.627 -5.911 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.955 -4.483 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.978 -4.790 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.832 -6.944 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.098 -6.405 -3.281 1.00 0.00 H new ATOM 237 N TRP A 15 -8.226 -2.808 -5.468 1.00 0.00 N ATOM 238 CA TRP A 15 -8.918 -1.531 -5.307 1.00 0.00 C ATOM 239 C TRP A 15 -10.194 -1.532 -6.116 1.00 0.00 C ATOM 240 O TRP A 15 -11.156 -0.835 -5.800 1.00 0.00 O ATOM 241 CB TRP A 15 -8.051 -0.268 -5.639 1.00 0.00 C ATOM 242 CG TRP A 15 -7.869 0.097 -7.121 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.806 0.667 -7.961 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.678 -0.008 -7.900 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.275 0.874 -9.200 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.975 0.477 -9.195 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.398 -0.474 -7.644 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.036 0.508 -10.214 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.469 -0.439 -8.659 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.790 0.048 -9.927 1.00 0.00 C ATOM 0 H TRP A 15 -7.490 -2.839 -6.174 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.144 -1.446 -4.244 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.497 0.589 -5.134 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.062 -0.415 -5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.818 0.914 -7.676 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.773 1.264 -10.001 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.135 -0.856 -6.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.284 0.882 -11.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.468 -0.797 -8.470 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.032 0.059 -10.696 1.00 0.00 H new ATOM 261 N ARG A 16 -10.203 -2.335 -7.148 1.00 0.00 N ATOM 262 CA ARG A 16 -11.323 -2.361 -8.075 1.00 0.00 C ATOM 263 C ARG A 16 -12.534 -3.107 -7.516 1.00 0.00 C ATOM 264 O ARG A 16 -13.648 -2.946 -7.994 1.00 0.00 O ATOM 265 CB ARG A 16 -10.879 -2.913 -9.417 1.00 0.00 C ATOM 266 CG ARG A 16 -9.736 -2.110 -10.002 1.00 0.00 C ATOM 267 CD ARG A 16 -9.331 -2.578 -11.376 1.00 0.00 C ATOM 268 NE ARG A 16 -10.431 -2.487 -12.329 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.344 -2.692 -13.648 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.174 -2.999 -14.223 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.429 -2.586 -14.389 1.00 0.00 N ATOM 0 H ARG A 16 -9.449 -2.984 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.656 -1.334 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.571 -3.952 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.721 -2.906 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.025 -1.060 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.876 -2.172 -9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.493 -1.978 -11.731 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.984 -3.610 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.349 -2.245 -11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.332 -3.080 -13.654 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.125 -3.152 -15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.322 -2.350 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.376 -2.740 -15.396 1.00 0.00 H new ATOM 285 N LYS A 17 -12.311 -3.891 -6.494 1.00 0.00 N ATOM 286 CA LYS A 17 -13.386 -4.630 -5.830 1.00 0.00 C ATOM 287 C LYS A 17 -14.038 -3.796 -4.732 1.00 0.00 C ATOM 288 O LYS A 17 -15.201 -4.025 -4.373 1.00 0.00 O ATOM 289 CB LYS A 17 -12.827 -5.875 -5.159 1.00 0.00 C ATOM 290 CG LYS A 17 -11.646 -5.526 -4.282 1.00 0.00 C ATOM 291 CD LYS A 17 -11.394 -6.467 -3.144 1.00 0.00 C ATOM 292 CE LYS A 17 -11.135 -7.868 -3.631 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.476 -8.704 -2.612 1.00 0.00 N ATOM 0 H LYS A 17 -11.387 -4.044 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.118 -4.883 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.603 -6.350 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.523 -6.597 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.752 -5.486 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.798 -4.525 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.539 -6.118 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.254 -6.467 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.079 -8.329 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.512 -7.830 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.704 -9.704 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.446 -8.569 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.812 -8.429 -1.667 1.00 0.00 H new ATOM 307 N LEU A 18 -13.305 -2.850 -4.200 1.00 0.00 N ATOM 308 CA LEU A 18 -13.748 -2.156 -3.030 1.00 0.00 C ATOM 309 C LEU A 18 -14.402 -0.813 -3.359 1.00 0.00 C ATOM 310 O LEU A 18 -14.361 -0.370 -4.516 1.00 0.00 O ATOM 311 CB LEU A 18 -12.599 -2.062 -1.994 1.00 0.00 C ATOM 312 CG LEU A 18 -11.275 -1.391 -2.429 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.393 0.112 -2.587 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.166 -1.725 -1.468 1.00 0.00 C ATOM 0 H LEU A 18 -12.401 -2.547 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.545 -2.736 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.977 -1.521 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.366 -3.074 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.037 -1.796 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.431 0.522 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.143 0.340 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.691 0.555 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.245 -1.242 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.429 -1.370 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.020 -2.805 -1.442 1.00 0.00 H new ATOM 326 N GLY A 19 -15.009 -0.196 -2.350 1.00 0.00 N ATOM 327 CA GLY A 19 -15.690 1.083 -2.503 1.00 0.00 C ATOM 328 C GLY A 19 -14.799 2.201 -3.036 1.00 0.00 C ATOM 329 O GLY A 19 -13.641 2.352 -2.621 1.00 0.00 O ATOM 0 H GLY A 19 -15.042 -0.570 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.536 0.954 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.096 1.385 -1.537 1.00 0.00 H new ATOM 333 N SER A 20 -15.357 2.994 -3.922 1.00 0.00 N ATOM 334 CA SER A 20 -14.661 4.066 -4.593 1.00 0.00 C ATOM 335 C SER A 20 -14.085 5.100 -3.613 1.00 0.00 C ATOM 336 O SER A 20 -12.918 5.465 -3.710 1.00 0.00 O ATOM 337 CB SER A 20 -15.613 4.727 -5.577 1.00 0.00 C ATOM 338 OG SER A 20 -16.160 3.753 -6.464 1.00 0.00 O ATOM 0 H SER A 20 -16.334 2.908 -4.203 1.00 0.00 H new ATOM 0 HA SER A 20 -13.808 3.642 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.416 5.229 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.085 5.492 -6.146 1.00 0.00 H new ATOM 0 HG SER A 20 -16.773 4.190 -7.092 1.00 0.00 H new ATOM 344 N THR A 21 -14.876 5.522 -2.643 1.00 0.00 N ATOM 345 CA THR A 21 -14.441 6.523 -1.693 1.00 0.00 C ATOM 346 C THR A 21 -13.313 5.968 -0.811 1.00 0.00 C ATOM 347 O THR A 21 -12.411 6.705 -0.398 1.00 0.00 O ATOM 348 CB THR A 21 -15.622 7.001 -0.832 1.00 0.00 C ATOM 349 OG1 THR A 21 -16.704 7.364 -1.703 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.232 8.221 0.003 1.00 0.00 C ATOM 0 H THR A 21 -15.827 5.184 -2.494 1.00 0.00 H new ATOM 0 HA THR A 21 -14.055 7.380 -2.245 1.00 0.00 H new ATOM 0 HB THR A 21 -15.915 6.197 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.466 7.670 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.085 8.539 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.402 7.962 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.930 9.033 -0.658 1.00 0.00 H new ATOM 358 N VAL A 22 -13.344 4.660 -0.579 1.00 0.00 N ATOM 359 CA VAL A 22 -12.308 3.986 0.183 1.00 0.00 C ATOM 360 C VAL A 22 -10.968 4.102 -0.551 1.00 0.00 C ATOM 361 O VAL A 22 -9.950 4.472 0.046 1.00 0.00 O ATOM 362 CB VAL A 22 -12.649 2.478 0.424 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.492 1.752 1.086 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.893 2.332 1.288 1.00 0.00 C ATOM 0 H VAL A 22 -14.085 4.043 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.243 4.472 1.157 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.836 2.031 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.759 0.707 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.612 1.811 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.273 2.216 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.108 1.274 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.724 2.811 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.739 2.806 0.791 1.00 0.00 H new ATOM 374 N ARG A 23 -10.984 3.848 -1.859 1.00 0.00 N ATOM 375 CA ARG A 23 -9.755 3.885 -2.639 1.00 0.00 C ATOM 376 C ARG A 23 -9.238 5.321 -2.740 1.00 0.00 C ATOM 377 O ARG A 23 -8.046 5.547 -2.822 1.00 0.00 O ATOM 378 CB ARG A 23 -9.933 3.291 -4.057 1.00 0.00 C ATOM 379 CG ARG A 23 -10.456 4.269 -5.094 1.00 0.00 C ATOM 380 CD ARG A 23 -10.576 3.641 -6.447 1.00 0.00 C ATOM 381 NE ARG A 23 -10.720 4.655 -7.497 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.010 4.378 -8.780 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.426 3.155 -9.121 1.00 0.00 N ATOM 384 NH2 ARG A 23 -10.932 5.328 -9.704 1.00 0.00 N ATOM 0 H ARG A 23 -11.823 3.618 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.027 3.265 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.973 2.902 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.617 2.445 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.431 4.643 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.788 5.128 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.695 3.031 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.437 2.972 -6.464 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.592 5.633 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.523 2.432 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.646 2.944 -10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.651 6.273 -9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.153 5.113 -10.676 1.00 0.00 H new ATOM 398 N GLU A 24 -10.152 6.280 -2.717 1.00 0.00 N ATOM 399 CA GLU A 24 -9.795 7.675 -2.844 1.00 0.00 C ATOM 400 C GLU A 24 -9.087 8.187 -1.598 1.00 0.00 C ATOM 401 O GLU A 24 -8.180 9.026 -1.699 1.00 0.00 O ATOM 402 CB GLU A 24 -11.011 8.525 -3.188 1.00 0.00 C ATOM 403 CG GLU A 24 -11.625 8.206 -4.553 1.00 0.00 C ATOM 404 CD GLU A 24 -10.650 8.379 -5.702 1.00 0.00 C ATOM 405 OE1 GLU A 24 -10.084 9.480 -5.860 1.00 0.00 O ATOM 406 OE2 GLU A 24 -10.414 7.410 -6.473 1.00 0.00 O ATOM 0 H GLU A 24 -11.152 6.110 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.090 7.761 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.769 8.385 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.725 9.577 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.992 7.180 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.487 8.852 -4.716 1.00 0.00 H new ATOM 413 N GLN A 25 -9.465 7.656 -0.429 1.00 0.00 N ATOM 414 CA GLN A 25 -8.797 8.034 0.821 1.00 0.00 C ATOM 415 C GLN A 25 -7.366 7.532 0.769 1.00 0.00 C ATOM 416 O GLN A 25 -6.424 8.226 1.165 1.00 0.00 O ATOM 417 CB GLN A 25 -9.473 7.420 2.047 1.00 0.00 C ATOM 418 CG GLN A 25 -10.954 7.695 2.206 1.00 0.00 C ATOM 419 CD GLN A 25 -11.500 7.105 3.496 1.00 0.00 C ATOM 420 OE1 GLN A 25 -10.800 7.037 4.508 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.711 6.625 3.457 1.00 0.00 N ATOM 0 H GLN A 25 -10.217 6.975 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.847 9.119 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.327 6.340 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.960 7.783 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.127 8.771 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.495 7.277 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.262 6.699 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.108 6.175 4.282 1.00 0.00 H new ATOM 430 N LEU A 26 -7.218 6.325 0.239 1.00 0.00 N ATOM 431 CA LEU A 26 -5.926 5.690 0.080 1.00 0.00 C ATOM 432 C LEU A 26 -5.050 6.505 -0.854 1.00 0.00 C ATOM 433 O LEU A 26 -3.900 6.728 -0.572 1.00 0.00 O ATOM 434 CB LEU A 26 -6.094 4.262 -0.447 1.00 0.00 C ATOM 435 CG LEU A 26 -6.858 3.297 0.466 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.050 1.954 -0.209 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.127 3.121 1.790 1.00 0.00 C ATOM 0 H LEU A 26 -7.999 5.759 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.439 5.641 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.609 4.308 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.104 3.846 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.840 3.726 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.595 1.286 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.617 2.088 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.077 1.521 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.685 2.432 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.131 2.718 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.041 4.086 2.289 1.00 0.00 H new ATOM 449 N LYS A 27 -5.639 6.984 -1.940 1.00 0.00 N ATOM 450 CA LYS A 27 -4.953 7.818 -2.926 1.00 0.00 C ATOM 451 C LYS A 27 -4.473 9.130 -2.312 1.00 0.00 C ATOM 452 O LYS A 27 -3.394 9.623 -2.647 1.00 0.00 O ATOM 453 CB LYS A 27 -5.868 8.082 -4.121 1.00 0.00 C ATOM 454 CG LYS A 27 -6.090 6.863 -5.018 1.00 0.00 C ATOM 455 CD LYS A 27 -7.214 7.086 -6.027 1.00 0.00 C ATOM 456 CE LYS A 27 -7.018 8.350 -6.848 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.164 8.615 -7.733 1.00 0.00 N ATOM 0 H LYS A 27 -6.617 6.805 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.072 7.277 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.834 8.432 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.443 8.888 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.167 6.633 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.326 5.997 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.273 6.228 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.166 7.144 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.873 9.198 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.112 8.257 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.389 9.630 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.926 8.330 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.988 8.072 -7.406 1.00 0.00 H new ATOM 471 N LYS A 28 -5.269 9.682 -1.408 1.00 0.00 N ATOM 472 CA LYS A 28 -4.896 10.901 -0.696 1.00 0.00 C ATOM 473 C LYS A 28 -3.658 10.664 0.155 1.00 0.00 C ATOM 474 O LYS A 28 -2.733 11.480 0.179 1.00 0.00 O ATOM 475 CB LYS A 28 -6.043 11.397 0.195 1.00 0.00 C ATOM 476 CG LYS A 28 -6.829 12.632 -0.295 1.00 0.00 C ATOM 477 CD LYS A 28 -7.705 12.420 -1.542 1.00 0.00 C ATOM 478 CE LYS A 28 -6.920 12.298 -2.838 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.820 12.330 -4.009 1.00 0.00 N ATOM 0 H LYS A 28 -6.181 9.306 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.680 11.665 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.749 10.577 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.633 11.625 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.466 12.979 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.118 13.431 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.302 11.518 -1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.402 13.253 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.198 13.112 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.352 11.368 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.259 12.245 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.493 11.539 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.343 13.229 -4.020 1.00 0.00 H new ATOM 493 N LYS A 29 -3.624 9.538 0.820 1.00 0.00 N ATOM 494 CA LYS A 29 -2.499 9.214 1.661 1.00 0.00 C ATOM 495 C LYS A 29 -1.280 8.851 0.838 1.00 0.00 C ATOM 496 O LYS A 29 -0.164 9.084 1.245 1.00 0.00 O ATOM 497 CB LYS A 29 -2.858 8.135 2.688 1.00 0.00 C ATOM 498 CG LYS A 29 -3.969 8.573 3.643 1.00 0.00 C ATOM 499 CD LYS A 29 -3.570 9.837 4.404 1.00 0.00 C ATOM 500 CE LYS A 29 -4.706 10.384 5.236 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.311 11.637 5.919 1.00 0.00 N ATOM 0 H LYS A 29 -4.359 8.832 0.796 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.238 10.107 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.170 7.231 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.969 7.879 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.885 8.756 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.183 7.771 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.721 9.617 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.242 10.597 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.571 10.570 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.009 9.643 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.109 11.991 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.501 11.451 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.045 12.350 5.210 1.00 0.00 H new ATOM 515 N LEU A 30 -1.507 8.343 -0.339 1.00 0.00 N ATOM 516 CA LEU A 30 -0.434 8.004 -1.233 1.00 0.00 C ATOM 517 C LEU A 30 0.307 9.243 -1.703 1.00 0.00 C ATOM 518 O LEU A 30 1.515 9.261 -1.686 1.00 0.00 O ATOM 519 CB LEU A 30 -0.911 7.159 -2.423 1.00 0.00 C ATOM 520 CG LEU A 30 -1.405 5.740 -2.094 1.00 0.00 C ATOM 521 CD1 LEU A 30 -1.901 5.039 -3.348 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.302 4.921 -1.431 1.00 0.00 C ATOM 0 H LEU A 30 -2.439 8.152 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 30 0.264 7.389 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.718 7.695 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.091 7.079 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.236 5.828 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.246 4.037 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.725 5.607 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.089 4.970 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.675 3.921 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.552 4.848 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.007 5.408 -0.506 1.00 0.00 H new ATOM 534 N VAL A 31 -0.416 10.306 -2.052 1.00 0.00 N ATOM 535 CA VAL A 31 0.247 11.517 -2.553 1.00 0.00 C ATOM 536 C VAL A 31 1.156 12.148 -1.484 1.00 0.00 C ATOM 537 O VAL A 31 2.231 12.668 -1.800 1.00 0.00 O ATOM 538 CB VAL A 31 -0.740 12.576 -3.168 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.661 13.194 -2.134 1.00 0.00 C ATOM 540 CG2 VAL A 31 0.017 13.655 -3.941 1.00 0.00 C ATOM 0 H VAL A 31 -1.433 10.359 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 31 0.874 11.185 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.376 12.033 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.318 13.916 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.261 12.413 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.066 13.698 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.692 14.372 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.704 14.170 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.581 13.194 -4.752 1.00 0.00 H new ATOM 550 N GLU A 32 0.766 12.038 -0.218 1.00 0.00 N ATOM 551 CA GLU A 32 1.587 12.580 0.852 1.00 0.00 C ATOM 552 C GLU A 32 2.785 11.673 1.182 1.00 0.00 C ATOM 553 O GLU A 32 3.801 12.137 1.718 1.00 0.00 O ATOM 554 CB GLU A 32 0.759 12.944 2.096 1.00 0.00 C ATOM 555 CG GLU A 32 -0.095 11.824 2.642 1.00 0.00 C ATOM 556 CD GLU A 32 -0.906 12.240 3.835 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.987 12.840 3.665 1.00 0.00 O ATOM 558 OE2 GLU A 32 -0.477 11.985 4.970 1.00 0.00 O ATOM 0 H GLU A 32 -0.097 11.587 0.086 1.00 0.00 H new ATOM 0 HA GLU A 32 2.005 13.516 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.437 13.280 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.113 13.787 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.765 11.469 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.545 10.986 2.918 1.00 0.00 H new ATOM 565 N VAL A 33 2.706 10.387 0.842 1.00 0.00 N ATOM 566 CA VAL A 33 3.861 9.506 1.067 1.00 0.00 C ATOM 567 C VAL A 33 4.794 9.632 -0.091 1.00 0.00 C ATOM 568 O VAL A 33 5.958 9.341 0.007 1.00 0.00 O ATOM 569 CB VAL A 33 3.508 8.007 1.295 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.413 7.893 2.253 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.190 7.250 0.020 1.00 0.00 C ATOM 0 H VAL A 33 1.889 9.940 0.425 1.00 0.00 H new ATOM 0 HA VAL A 33 4.322 9.838 1.997 1.00 0.00 H new ATOM 0 HB VAL A 33 4.404 7.536 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.172 6.841 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.711 8.339 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.536 8.413 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.954 6.214 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.334 7.711 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.052 7.280 -0.646 1.00 0.00 H new ATOM 581 N LEU A 34 4.278 10.120 -1.185 1.00 0.00 N ATOM 582 CA LEU A 34 5.102 10.317 -2.364 1.00 0.00 C ATOM 583 C LEU A 34 6.112 11.467 -2.142 1.00 0.00 C ATOM 584 O LEU A 34 7.034 11.688 -2.958 1.00 0.00 O ATOM 585 CB LEU A 34 4.269 10.531 -3.640 1.00 0.00 C ATOM 586 CG LEU A 34 3.302 9.396 -4.034 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.587 9.709 -5.327 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.021 8.071 -4.146 1.00 0.00 C ATOM 0 H LEU A 34 3.300 10.389 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 34 5.664 9.396 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.689 11.446 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.955 10.697 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 34 2.561 9.317 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.913 8.890 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.013 10.629 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.318 9.835 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.310 7.294 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.798 8.142 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.474 7.821 -3.187 1.00 0.00 H new ATOM 600 N GLU A 35 5.903 12.194 -1.046 1.00 0.00 N ATOM 601 CA GLU A 35 6.794 13.231 -0.588 1.00 0.00 C ATOM 602 C GLU A 35 7.823 12.583 0.356 1.00 0.00 C ATOM 603 O GLU A 35 9.034 12.770 0.218 1.00 0.00 O ATOM 604 CB GLU A 35 5.988 14.286 0.187 1.00 0.00 C ATOM 605 CG GLU A 35 6.770 15.532 0.598 1.00 0.00 C ATOM 606 CD GLU A 35 7.116 16.411 -0.575 1.00 0.00 C ATOM 607 OE1 GLU A 35 6.238 17.168 -1.034 1.00 0.00 O ATOM 608 OE2 GLU A 35 8.262 16.362 -1.065 1.00 0.00 O ATOM 0 H GLU A 35 5.088 12.067 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 35 7.293 13.709 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.141 14.594 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.580 13.821 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.183 16.105 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.687 15.231 1.104 1.00 0.00 H new ATOM 615 N SER A 36 7.317 11.787 1.274 1.00 0.00 N ATOM 616 CA SER A 36 8.110 11.109 2.276 1.00 0.00 C ATOM 617 C SER A 36 7.354 9.842 2.710 1.00 0.00 C ATOM 618 O SER A 36 6.361 9.924 3.451 1.00 0.00 O ATOM 619 CB SER A 36 8.355 12.050 3.481 1.00 0.00 C ATOM 620 OG SER A 36 9.160 11.440 4.481 1.00 0.00 O ATOM 0 H SER A 36 6.319 11.589 1.345 1.00 0.00 H new ATOM 0 HA SER A 36 9.083 10.830 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.838 12.963 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.398 12.340 3.914 1.00 0.00 H new ATOM 0 HG SER A 36 9.292 12.067 5.222 1.00 0.00 H new ATOM 626 N PRO A 37 7.756 8.660 2.199 1.00 0.00 N ATOM 627 CA PRO A 37 7.070 7.417 2.476 1.00 0.00 C ATOM 628 C PRO A 37 7.631 6.637 3.651 1.00 0.00 C ATOM 629 O PRO A 37 7.134 5.562 3.977 1.00 0.00 O ATOM 630 CB PRO A 37 7.234 6.642 1.174 1.00 0.00 C ATOM 631 CG PRO A 37 8.508 7.153 0.562 1.00 0.00 C ATOM 632 CD PRO A 37 8.860 8.456 1.249 1.00 0.00 C ATOM 0 HA PRO A 37 6.036 7.594 2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.290 5.569 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.386 6.806 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.311 6.426 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.382 7.308 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.821 8.392 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.932 9.278 0.536 1.00 0.00 H new ATOM 640 N ARG A 38 8.640 7.163 4.295 1.00 0.00 N ATOM 641 CA ARG A 38 9.214 6.477 5.425 1.00 0.00 C ATOM 642 C ARG A 38 8.444 6.852 6.673 1.00 0.00 C ATOM 643 O ARG A 38 8.763 7.833 7.357 1.00 0.00 O ATOM 644 CB ARG A 38 10.716 6.759 5.586 1.00 0.00 C ATOM 645 CG ARG A 38 11.553 6.377 4.365 1.00 0.00 C ATOM 646 CD ARG A 38 13.043 6.602 4.604 1.00 0.00 C ATOM 647 NE ARG A 38 13.353 7.992 4.973 1.00 0.00 N ATOM 648 CZ ARG A 38 14.578 8.542 4.978 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.632 7.844 4.574 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.736 9.798 5.383 1.00 0.00 N ATOM 0 H ARG A 38 9.078 8.054 4.061 1.00 0.00 H new ATOM 0 HA ARG A 38 9.131 5.404 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.856 7.820 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.087 6.213 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.379 5.330 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.230 6.964 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.385 5.935 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.596 6.337 3.703 1.00 0.00 H new ATOM 0 HE ARG A 38 12.572 8.588 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.515 6.882 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.559 8.270 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.928 10.341 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.665 10.219 5.388 1.00 0.00 H new ATOM 664 N ILE A 39 7.368 6.143 6.895 1.00 0.00 N ATOM 665 CA ILE A 39 6.521 6.365 8.032 1.00 0.00 C ATOM 666 C ILE A 39 6.631 5.153 8.928 1.00 0.00 C ATOM 667 O ILE A 39 5.830 4.222 8.827 1.00 0.00 O ATOM 668 CB ILE A 39 5.030 6.547 7.615 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.905 7.572 6.473 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.205 6.999 8.820 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.499 7.746 5.942 1.00 0.00 C ATOM 0 H ILE A 39 7.054 5.389 6.284 1.00 0.00 H new ATOM 0 HA ILE A 39 6.839 7.276 8.538 1.00 0.00 H new ATOM 0 HB ILE A 39 4.650 5.590 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.269 8.537 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.555 7.266 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.164 7.124 8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.269 6.248 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.593 7.948 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.501 8.485 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.135 6.794 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.846 8.085 6.746 1.00 0.00 H new ATOM 683 N GLU A 40 7.621 5.138 9.798 1.00 0.00 N ATOM 684 CA GLU A 40 7.873 3.951 10.596 1.00 0.00 C ATOM 685 C GLU A 40 6.846 3.777 11.702 1.00 0.00 C ATOM 686 O GLU A 40 6.794 2.757 12.360 1.00 0.00 O ATOM 687 CB GLU A 40 9.285 3.887 11.138 1.00 0.00 C ATOM 688 CG GLU A 40 9.628 4.896 12.185 1.00 0.00 C ATOM 689 CD GLU A 40 10.974 4.603 12.746 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.139 3.561 13.420 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.898 5.384 12.527 1.00 0.00 O ATOM 0 H GLU A 40 8.255 5.918 9.970 1.00 0.00 H new ATOM 0 HA GLU A 40 7.767 3.109 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.450 2.892 11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.979 4.005 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.613 5.898 11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.881 4.878 12.979 1.00 0.00 H new ATOM 698 N ALA A 41 6.012 4.766 11.872 1.00 0.00 N ATOM 699 CA ALA A 41 4.903 4.664 12.787 1.00 0.00 C ATOM 700 C ALA A 41 3.858 3.711 12.199 1.00 0.00 C ATOM 701 O ALA A 41 2.963 3.253 12.882 1.00 0.00 O ATOM 702 CB ALA A 41 4.294 6.034 13.030 1.00 0.00 C ATOM 0 H ALA A 41 6.079 5.660 11.385 1.00 0.00 H new ATOM 0 HA ALA A 41 5.252 4.274 13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.457 5.943 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.047 6.697 13.456 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.940 6.447 12.086 1.00 0.00 H new ATOM 708 N ASN A 42 3.976 3.435 10.902 1.00 0.00 N ATOM 709 CA ASN A 42 3.047 2.540 10.222 1.00 0.00 C ATOM 710 C ASN A 42 3.752 1.276 9.724 1.00 0.00 C ATOM 711 O ASN A 42 3.146 0.474 9.047 1.00 0.00 O ATOM 712 CB ASN A 42 2.328 3.229 9.017 1.00 0.00 C ATOM 713 CG ASN A 42 1.337 4.357 9.374 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.318 4.536 8.708 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.633 5.136 10.381 1.00 0.00 N ATOM 0 H ASN A 42 4.706 3.819 10.302 1.00 0.00 H new ATOM 0 HA ASN A 42 2.296 2.271 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.088 3.638 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.791 2.465 8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.014 5.909 10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.483 4.971 10.921 1.00 0.00 H new ATOM 722 N LYS A 43 5.019 1.084 10.086 1.00 0.00 N ATOM 723 CA LYS A 43 5.800 -0.080 9.598 1.00 0.00 C ATOM 724 C LYS A 43 5.235 -1.407 10.084 1.00 0.00 C ATOM 725 O LYS A 43 4.535 -1.471 11.107 1.00 0.00 O ATOM 726 CB LYS A 43 7.280 0.031 9.984 1.00 0.00 C ATOM 727 CG LYS A 43 7.565 -0.014 11.473 1.00 0.00 C ATOM 728 CD LYS A 43 9.031 0.247 11.733 1.00 0.00 C ATOM 729 CE LYS A 43 9.318 0.449 13.209 1.00 0.00 C ATOM 730 NZ LYS A 43 10.708 0.888 13.437 1.00 0.00 N ATOM 0 H LYS A 43 5.534 1.706 10.709 1.00 0.00 H new ATOM 0 HA LYS A 43 5.718 -0.062 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.826 -0.779 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.674 0.965 9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.959 0.730 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.285 -0.988 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.620 -0.591 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.346 1.131 11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.630 1.190 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.137 -0.482 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.135 0.313 14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.257 0.773 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.714 1.889 13.720 1.00 0.00 H new ATOM 744 N LEU A 44 5.510 -2.436 9.323 1.00 0.00 N ATOM 745 CA LEU A 44 5.129 -3.776 9.648 1.00 0.00 C ATOM 746 C LEU A 44 6.157 -4.392 10.550 1.00 0.00 C ATOM 747 O LEU A 44 7.376 -4.175 10.374 1.00 0.00 O ATOM 748 CB LEU A 44 4.987 -4.624 8.388 1.00 0.00 C ATOM 749 CG LEU A 44 3.749 -4.393 7.527 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.867 -5.187 6.241 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.505 -4.837 8.277 1.00 0.00 C ATOM 0 H LEU A 44 6.017 -2.357 8.441 1.00 0.00 H new ATOM 0 HA LEU A 44 4.165 -3.742 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.867 -4.455 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.002 -5.673 8.684 1.00 0.00 H new ATOM 0 HG LEU A 44 3.672 -3.330 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.981 -5.020 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.753 -4.864 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.952 -6.248 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.626 -4.669 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.583 -5.898 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.412 -4.264 9.199 1.00 0.00 H new ATOM 763 N ARG A 45 5.684 -5.161 11.487 1.00 0.00 N ATOM 764 CA ARG A 45 6.529 -5.834 12.444 1.00 0.00 C ATOM 765 C ARG A 45 7.298 -6.979 11.790 1.00 0.00 C ATOM 766 O ARG A 45 6.763 -8.082 11.594 1.00 0.00 O ATOM 767 CB ARG A 45 5.702 -6.317 13.649 1.00 0.00 C ATOM 768 CG ARG A 45 6.466 -7.179 14.643 1.00 0.00 C ATOM 769 CD ARG A 45 5.636 -7.511 15.873 1.00 0.00 C ATOM 770 NE ARG A 45 4.283 -7.998 15.537 1.00 0.00 N ATOM 771 CZ ARG A 45 3.725 -9.122 16.012 1.00 0.00 C ATOM 772 NH1 ARG A 45 4.410 -9.937 16.794 1.00 0.00 N ATOM 773 NH2 ARG A 45 2.467 -9.409 15.714 1.00 0.00 N ATOM 0 H ARG A 45 4.689 -5.344 11.614 1.00 0.00 H new ATOM 0 HA ARG A 45 7.267 -5.121 12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.307 -5.447 14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.846 -6.883 13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.776 -8.103 14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.374 -6.659 14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.154 -8.268 16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.552 -6.623 16.499 1.00 0.00 H new ATOM 0 HE ARG A 45 3.728 -7.435 14.892 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.374 -9.715 17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.975 -10.789 17.149 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.925 -8.776 15.125 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.040 -10.263 16.073 1.00 0.00 H new ATOM 787 N GLY A 46 8.519 -6.697 11.404 1.00 0.00 N ATOM 788 CA GLY A 46 9.361 -7.705 10.821 1.00 0.00 C ATOM 789 C GLY A 46 9.593 -7.495 9.347 1.00 0.00 C ATOM 790 O GLY A 46 10.275 -8.289 8.710 1.00 0.00 O ATOM 0 H GLY A 46 8.949 -5.776 11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.321 -7.712 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.908 -8.684 10.976 1.00 0.00 H new ATOM 794 N MET A 47 9.029 -6.441 8.792 1.00 0.00 N ATOM 795 CA MET A 47 9.195 -6.163 7.370 1.00 0.00 C ATOM 796 C MET A 47 9.622 -4.724 7.161 1.00 0.00 C ATOM 797 O MET A 47 8.808 -3.803 7.288 1.00 0.00 O ATOM 798 CB MET A 47 7.910 -6.469 6.587 1.00 0.00 C ATOM 799 CG MET A 47 7.520 -7.940 6.594 1.00 0.00 C ATOM 800 SD MET A 47 8.613 -9.001 5.623 1.00 0.00 S ATOM 801 CE MET A 47 8.133 -8.510 3.973 1.00 0.00 C ATOM 0 H MET A 47 8.455 -5.764 9.295 1.00 0.00 H new ATOM 0 HA MET A 47 9.978 -6.818 6.987 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.092 -5.884 7.007 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.038 -6.142 5.555 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.508 -8.296 7.624 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.504 -8.037 6.211 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.886 -9.395 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.262 -7.856 4.027 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.957 -7.978 3.497 1.00 0.00 H new ATOM 811 N PRO A 48 10.912 -4.498 6.885 1.00 0.00 N ATOM 812 CA PRO A 48 11.446 -3.154 6.683 1.00 0.00 C ATOM 813 C PRO A 48 10.918 -2.506 5.413 1.00 0.00 C ATOM 814 O PRO A 48 10.710 -3.181 4.381 1.00 0.00 O ATOM 815 CB PRO A 48 12.956 -3.365 6.582 1.00 0.00 C ATOM 816 CG PRO A 48 13.119 -4.783 6.162 1.00 0.00 C ATOM 817 CD PRO A 48 11.964 -5.531 6.759 1.00 0.00 C ATOM 0 HA PRO A 48 11.154 -2.484 7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.402 -2.685 5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.446 -3.178 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.119 -4.870 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.068 -5.187 6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.644 -6.353 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.222 -5.962 7.727 1.00 0.00 H new ATOM 825 N ASP A 49 10.644 -1.212 5.522 1.00 0.00 N ATOM 826 CA ASP A 49 10.157 -0.368 4.419 1.00 0.00 C ATOM 827 C ASP A 49 8.821 -0.811 3.873 1.00 0.00 C ATOM 828 O ASP A 49 8.413 -0.395 2.791 1.00 0.00 O ATOM 829 CB ASP A 49 11.194 -0.169 3.300 1.00 0.00 C ATOM 830 CG ASP A 49 12.331 0.734 3.719 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.145 1.972 3.773 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.443 0.225 4.013 1.00 0.00 O ATOM 0 H ASP A 49 10.754 -0.701 6.398 1.00 0.00 H new ATOM 0 HA ASP A 49 9.998 0.611 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.594 -1.138 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.702 0.254 2.424 1.00 0.00 H new ATOM 837 N CYS A 50 8.135 -1.621 4.635 1.00 0.00 N ATOM 838 CA CYS A 50 6.806 -2.025 4.319 1.00 0.00 C ATOM 839 C CYS A 50 5.922 -1.422 5.380 1.00 0.00 C ATOM 840 O CYS A 50 6.145 -1.637 6.570 1.00 0.00 O ATOM 841 CB CYS A 50 6.697 -3.545 4.322 1.00 0.00 C ATOM 842 SG CYS A 50 7.873 -4.362 3.221 1.00 0.00 S ATOM 0 H CYS A 50 8.495 -2.020 5.502 1.00 0.00 H new ATOM 0 HA CYS A 50 6.512 -1.689 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.851 -3.909 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.685 -3.828 4.032 1.00 0.00 H new ATOM 0 HG CYS A 50 9.084 -4.021 3.549 1.00 0.00 H new ATOM 848 N TYR A 51 4.967 -0.657 4.971 1.00 0.00 N ATOM 849 CA TYR A 51 4.138 0.069 5.889 1.00 0.00 C ATOM 850 C TYR A 51 2.697 -0.186 5.527 1.00 0.00 C ATOM 851 O TYR A 51 2.403 -0.515 4.377 1.00 0.00 O ATOM 852 CB TYR A 51 4.449 1.581 5.789 1.00 0.00 C ATOM 853 CG TYR A 51 5.939 1.918 5.838 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.615 2.006 7.033 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.660 2.129 4.673 1.00 0.00 C ATOM 856 CE1 TYR A 51 7.967 2.290 7.075 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.006 2.419 4.709 1.00 0.00 C ATOM 858 CZ TYR A 51 8.652 2.499 5.909 1.00 0.00 C ATOM 859 OH TYR A 51 10.008 2.754 5.945 1.00 0.00 O ATOM 0 H TYR A 51 4.734 -0.513 3.988 1.00 0.00 H new ATOM 0 HA TYR A 51 4.329 -0.258 6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.031 1.966 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.944 2.099 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.078 1.850 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.157 2.065 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.480 2.347 8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.549 2.583 3.790 1.00 0.00 H new ATOM 0 HH TYR A 51 10.380 2.673 5.042 1.00 0.00 H new ATOM 869 N LYS A 52 1.814 -0.067 6.479 1.00 0.00 N ATOM 870 CA LYS A 52 0.426 -0.245 6.224 1.00 0.00 C ATOM 871 C LYS A 52 -0.336 0.939 6.766 1.00 0.00 C ATOM 872 O LYS A 52 -0.269 1.247 7.962 1.00 0.00 O ATOM 873 CB LYS A 52 -0.144 -1.598 6.781 1.00 0.00 C ATOM 874 CG LYS A 52 -0.357 -1.708 8.309 1.00 0.00 C ATOM 875 CD LYS A 52 0.930 -1.733 9.117 1.00 0.00 C ATOM 876 CE LYS A 52 0.612 -1.743 10.603 1.00 0.00 C ATOM 877 NZ LYS A 52 1.808 -1.941 11.457 1.00 0.00 N ATOM 0 H LYS A 52 2.043 0.156 7.448 1.00 0.00 H new ATOM 0 HA LYS A 52 0.296 -0.303 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.101 -1.786 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.531 -2.398 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.965 -0.867 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.924 -2.615 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.515 -2.615 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.539 -0.862 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.134 -0.801 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.108 -2.535 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.527 -1.921 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.243 -2.860 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.494 -1.181 11.275 1.00 0.00 H new ATOM 891 N ILE A 53 -1.009 1.630 5.906 1.00 0.00 N ATOM 892 CA ILE A 53 -1.817 2.737 6.316 1.00 0.00 C ATOM 893 C ILE A 53 -3.237 2.246 6.417 1.00 0.00 C ATOM 894 O ILE A 53 -3.678 1.447 5.588 1.00 0.00 O ATOM 895 CB ILE A 53 -1.738 3.924 5.343 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.270 4.302 5.110 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.501 5.103 5.949 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.059 5.396 4.084 1.00 0.00 C ATOM 0 H ILE A 53 -1.016 1.446 4.903 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.450 3.105 7.274 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.183 3.656 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.165 4.621 6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.275 3.413 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.454 5.954 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.542 4.821 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.051 5.375 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.007 5.599 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.460 5.075 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.572 6.302 4.407 1.00 0.00 H new ATOM 910 N LYS A 54 -3.929 2.672 7.428 1.00 0.00 N ATOM 911 CA LYS A 54 -5.250 2.191 7.685 1.00 0.00 C ATOM 912 C LYS A 54 -6.247 3.320 7.727 1.00 0.00 C ATOM 913 O LYS A 54 -5.965 4.410 8.263 1.00 0.00 O ATOM 914 CB LYS A 54 -5.232 1.441 8.996 1.00 0.00 C ATOM 915 CG LYS A 54 -4.291 0.250 8.971 1.00 0.00 C ATOM 916 CD LYS A 54 -3.943 -0.217 10.352 1.00 0.00 C ATOM 917 CE LYS A 54 -5.165 -0.682 11.125 1.00 0.00 C ATOM 918 NZ LYS A 54 -4.799 -1.210 12.439 1.00 0.00 N ATOM 0 H LYS A 54 -3.593 3.363 8.098 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.559 1.527 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.933 2.119 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.240 1.099 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.754 -0.567 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.379 0.519 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.224 -1.033 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.457 0.593 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.858 0.150 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.686 -1.451 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.131 -2.192 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.765 -1.183 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.240 -0.631 13.181 1.00 0.00 H new ATOM 932 N LEU A 55 -7.387 3.068 7.145 1.00 0.00 N ATOM 933 CA LEU A 55 -8.474 3.996 7.121 1.00 0.00 C ATOM 934 C LEU A 55 -9.363 3.705 8.298 1.00 0.00 C ATOM 935 O LEU A 55 -10.067 2.682 8.330 1.00 0.00 O ATOM 936 CB LEU A 55 -9.263 3.872 5.821 1.00 0.00 C ATOM 937 CG LEU A 55 -8.475 4.070 4.535 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.391 3.915 3.344 1.00 0.00 C ATOM 939 CD2 LEU A 55 -7.785 5.431 4.518 1.00 0.00 C ATOM 0 H LEU A 55 -7.586 2.191 6.665 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.090 5.015 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.723 2.884 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.074 4.600 5.842 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.698 3.308 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.821 4.058 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.828 2.916 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.186 4.659 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.229 5.546 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.534 6.220 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.098 5.501 5.362 1.00 0.00 H new ATOM 951 N ARG A 56 -9.331 4.602 9.242 1.00 0.00 N ATOM 952 CA ARG A 56 -10.002 4.469 10.535 1.00 0.00 C ATOM 953 C ARG A 56 -11.502 4.292 10.366 1.00 0.00 C ATOM 954 O ARG A 56 -12.129 3.472 11.051 1.00 0.00 O ATOM 955 CB ARG A 56 -9.738 5.721 11.359 1.00 0.00 C ATOM 956 CG ARG A 56 -8.284 6.143 11.368 1.00 0.00 C ATOM 957 CD ARG A 56 -8.086 7.445 12.105 1.00 0.00 C ATOM 958 NE ARG A 56 -6.735 7.971 11.902 1.00 0.00 N ATOM 959 CZ ARG A 56 -6.265 9.109 12.412 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.988 9.801 13.290 1.00 0.00 N ATOM 961 NH2 ARG A 56 -5.057 9.536 12.066 1.00 0.00 N ATOM 0 H ARG A 56 -8.824 5.482 9.144 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.609 3.585 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.343 6.539 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.064 5.547 12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.682 5.364 11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.929 6.247 10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.818 8.175 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.263 7.293 13.170 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.101 7.421 11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.906 9.461 13.575 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.624 10.671 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.492 8.994 11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.693 10.406 12.454 1.00 0.00 H new ATOM 975 N SER A 57 -12.057 5.025 9.434 1.00 0.00 N ATOM 976 CA SER A 57 -13.478 5.033 9.196 1.00 0.00 C ATOM 977 C SER A 57 -13.906 3.908 8.247 1.00 0.00 C ATOM 978 O SER A 57 -15.084 3.771 7.930 1.00 0.00 O ATOM 979 CB SER A 57 -13.855 6.382 8.591 1.00 0.00 C ATOM 980 OG SER A 57 -13.374 7.455 9.398 1.00 0.00 O ATOM 0 H SER A 57 -11.530 5.639 8.813 1.00 0.00 H new ATOM 0 HA SER A 57 -13.991 4.872 10.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.440 6.463 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.939 6.452 8.495 1.00 0.00 H new ATOM 0 HG SER A 57 -13.626 8.310 8.990 1.00 0.00 H new ATOM 986 N SER A 58 -12.973 3.112 7.790 1.00 0.00 N ATOM 987 CA SER A 58 -13.320 2.095 6.834 1.00 0.00 C ATOM 988 C SER A 58 -12.888 0.683 7.279 1.00 0.00 C ATOM 989 O SER A 58 -13.571 -0.290 6.977 1.00 0.00 O ATOM 990 CB SER A 58 -12.734 2.459 5.469 1.00 0.00 C ATOM 991 OG SER A 58 -13.088 3.794 5.110 1.00 0.00 O ATOM 0 H SER A 58 -11.989 3.146 8.057 1.00 0.00 H new ATOM 0 HA SER A 58 -14.407 2.060 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.649 2.359 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.100 1.764 4.713 1.00 0.00 H new ATOM 0 HG SER A 58 -12.703 4.010 4.235 1.00 0.00 H new ATOM 997 N GLY A 59 -11.772 0.573 7.992 1.00 0.00 N ATOM 998 CA GLY A 59 -11.285 -0.741 8.411 1.00 0.00 C ATOM 999 C GLY A 59 -10.430 -1.370 7.330 1.00 0.00 C ATOM 1000 O GLY A 59 -10.143 -2.575 7.335 1.00 0.00 O ATOM 0 H GLY A 59 -11.195 1.360 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.705 -0.643 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.130 -1.392 8.637 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.033 -0.544 6.400 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.232 -0.947 5.278 1.00 0.00 C ATOM 1006 C TYR A 60 -7.783 -0.629 5.509 1.00 0.00 C ATOM 1007 O TYR A 60 -7.457 0.226 6.323 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.726 -0.268 4.003 1.00 0.00 C ATOM 1009 CG TYR A 60 -10.950 -0.921 3.418 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.193 -0.813 4.019 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -10.844 -1.673 2.273 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.295 -1.438 3.482 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -11.934 -2.306 1.731 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.155 -2.185 2.335 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.231 -2.829 1.807 1.00 0.00 O ATOM 0 H TYR A 60 -10.263 0.450 6.402 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.329 -2.027 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.948 0.777 4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.927 -0.278 3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.299 -0.230 4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.883 -1.768 1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.261 -1.343 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.828 -2.896 0.833 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.960 -3.310 0.997 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.924 -1.323 4.821 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.512 -1.077 4.904 1.00 0.00 C ATOM 1027 C ARG A 61 -4.888 -1.132 3.535 1.00 0.00 C ATOM 1028 O ARG A 61 -5.465 -1.686 2.587 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.776 -2.060 5.845 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.038 -3.533 5.565 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.207 -4.040 6.375 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.897 -4.063 7.815 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.770 -4.341 8.791 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.072 -4.431 8.525 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.344 -4.455 10.034 1.00 0.00 N ATOM 0 H ARG A 61 -7.182 -2.077 4.185 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.402 -0.079 5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.704 -1.876 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.067 -1.843 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.239 -3.675 4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.148 -4.115 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.075 -3.405 6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.473 -5.044 6.043 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.939 -3.850 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.409 -4.288 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.732 -4.643 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.354 -4.331 10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.004 -4.667 10.782 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.739 -0.558 3.449 1.00 0.00 N ATOM 1050 CA LEU A 62 -2.945 -0.537 2.262 1.00 0.00 C ATOM 1051 C LEU A 62 -1.508 -0.775 2.679 1.00 0.00 C ATOM 1052 O LEU A 62 -0.943 -0.007 3.450 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.145 0.815 1.513 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.389 1.038 0.177 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.044 2.154 -0.607 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -0.932 1.415 0.413 1.00 0.00 C ATOM 0 H LEU A 62 -3.306 -0.070 4.233 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.241 -1.317 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.211 0.930 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.859 1.617 2.194 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.429 0.101 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.507 2.304 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.080 1.889 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.018 3.073 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.435 1.563 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.884 2.337 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.433 0.615 0.961 1.00 0.00 H new ATOM 1068 N VAL A 63 -0.960 -1.854 2.213 1.00 0.00 N ATOM 1069 CA VAL A 63 0.390 -2.254 2.515 1.00 0.00 C ATOM 1070 C VAL A 63 1.241 -1.958 1.307 1.00 0.00 C ATOM 1071 O VAL A 63 0.912 -2.399 0.207 1.00 0.00 O ATOM 1072 CB VAL A 63 0.466 -3.779 2.797 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.857 -4.195 3.242 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.587 -4.208 3.808 1.00 0.00 C ATOM 0 H VAL A 63 -1.448 -2.502 1.595 1.00 0.00 H new ATOM 0 HA VAL A 63 0.734 -1.714 3.397 1.00 0.00 H new ATOM 0 HB VAL A 63 0.255 -4.294 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.873 -5.268 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.577 -3.953 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.121 -3.662 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.507 -5.281 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.430 -3.674 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.579 -3.977 3.420 1.00 0.00 H new ATOM 1084 N TYR A 64 2.297 -1.226 1.492 1.00 0.00 N ATOM 1085 CA TYR A 64 3.179 -0.872 0.407 1.00 0.00 C ATOM 1086 C TYR A 64 4.615 -1.014 0.856 1.00 0.00 C ATOM 1087 O TYR A 64 4.885 -1.078 2.049 1.00 0.00 O ATOM 1088 CB TYR A 64 2.920 0.582 -0.058 1.00 0.00 C ATOM 1089 CG TYR A 64 3.233 1.661 0.983 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.291 2.047 1.925 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.478 2.287 1.014 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.577 3.019 2.861 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.768 3.256 1.948 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.813 3.618 2.870 1.00 0.00 C ATOM 1095 OH TYR A 64 4.101 4.580 3.813 1.00 0.00 O ATOM 0 H TYR A 64 2.577 -0.853 2.399 1.00 0.00 H new ATOM 0 HA TYR A 64 2.987 -1.543 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.518 0.774 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.874 0.673 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.318 1.579 1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.230 2.006 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.830 3.309 3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.739 3.729 1.957 1.00 0.00 H new ATOM 0 HH TYR A 64 5.055 4.802 3.773 1.00 0.00 H new ATOM 1105 N GLN A 65 5.512 -1.072 -0.082 1.00 0.00 N ATOM 1106 CA GLN A 65 6.910 -1.089 0.208 1.00 0.00 C ATOM 1107 C GLN A 65 7.576 0.039 -0.534 1.00 0.00 C ATOM 1108 O GLN A 65 7.227 0.332 -1.687 1.00 0.00 O ATOM 1109 CB GLN A 65 7.571 -2.424 -0.144 1.00 0.00 C ATOM 1110 CG GLN A 65 9.084 -2.422 0.108 1.00 0.00 C ATOM 1111 CD GLN A 65 9.761 -3.728 -0.195 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.925 -3.757 -0.601 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.085 -4.802 0.046 1.00 0.00 N ATOM 0 H GLN A 65 5.290 -1.109 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 65 7.032 -0.960 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.110 -3.218 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.382 -2.652 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.541 -1.640 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.267 -2.164 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.124 -4.735 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.512 -5.717 -0.099 1.00 0.00 H new ATOM 1122 N VAL A 66 8.501 0.665 0.114 1.00 0.00 N ATOM 1123 CA VAL A 66 9.223 1.765 -0.466 1.00 0.00 C ATOM 1124 C VAL A 66 10.452 1.233 -1.169 1.00 0.00 C ATOM 1125 O VAL A 66 11.410 0.797 -0.531 1.00 0.00 O ATOM 1126 CB VAL A 66 9.627 2.806 0.607 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.334 4.001 -0.017 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.403 3.261 1.362 1.00 0.00 C ATOM 0 H VAL A 66 8.784 0.432 1.066 1.00 0.00 H new ATOM 0 HA VAL A 66 8.575 2.269 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 66 10.324 2.331 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.604 4.712 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.236 3.664 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.669 4.484 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.692 3.993 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.695 3.714 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.936 2.404 1.848 1.00 0.00 H new ATOM 1138 N ILE A 67 10.399 1.207 -2.468 1.00 0.00 N ATOM 1139 CA ILE A 67 11.499 0.734 -3.262 1.00 0.00 C ATOM 1140 C ILE A 67 12.256 1.940 -3.753 1.00 0.00 C ATOM 1141 O ILE A 67 11.752 2.685 -4.584 1.00 0.00 O ATOM 1142 CB ILE A 67 11.007 -0.074 -4.484 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.036 -1.183 -4.047 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.203 -0.678 -5.211 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.518 -2.039 -5.188 1.00 0.00 C ATOM 0 H ILE A 67 9.591 1.513 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 67 12.125 0.080 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 67 10.475 0.597 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.538 -1.826 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.188 -0.728 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.855 -1.248 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.865 0.120 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.745 -1.339 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.840 -2.797 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.986 -1.410 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.356 -2.526 -5.687 1.00 0.00 H new ATOM 1157 N ASP A 68 13.443 2.133 -3.264 1.00 0.00 N ATOM 1158 CA ASP A 68 14.209 3.328 -3.592 1.00 0.00 C ATOM 1159 C ASP A 68 14.951 3.181 -4.922 1.00 0.00 C ATOM 1160 O ASP A 68 15.204 4.167 -5.605 1.00 0.00 O ATOM 1161 CB ASP A 68 15.169 3.680 -2.458 1.00 0.00 C ATOM 1162 CG ASP A 68 15.899 4.984 -2.684 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.303 6.067 -2.455 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.097 4.959 -3.051 1.00 0.00 O ATOM 0 H ASP A 68 13.915 1.485 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 68 13.504 4.151 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.612 3.740 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.898 2.877 -2.344 1.00 0.00 H new ATOM 1169 N GLU A 69 15.266 1.946 -5.302 1.00 0.00 N ATOM 1170 CA GLU A 69 15.952 1.683 -6.582 1.00 0.00 C ATOM 1171 C GLU A 69 15.054 1.989 -7.793 1.00 0.00 C ATOM 1172 O GLU A 69 15.518 2.465 -8.821 1.00 0.00 O ATOM 1173 CB GLU A 69 16.491 0.237 -6.655 1.00 0.00 C ATOM 1174 CG GLU A 69 15.453 -0.844 -6.401 1.00 0.00 C ATOM 1175 CD GLU A 69 15.990 -2.242 -6.587 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.902 -2.645 -5.826 1.00 0.00 O ATOM 1177 OE2 GLU A 69 15.489 -2.971 -7.482 1.00 0.00 O ATOM 0 H GLU A 69 15.063 1.111 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 69 16.803 2.363 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.928 0.077 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.295 0.127 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.072 -0.741 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.609 -0.694 -7.075 1.00 0.00 H new ATOM 1184 N LYS A 70 13.770 1.719 -7.655 1.00 0.00 N ATOM 1185 CA LYS A 70 12.815 1.953 -8.741 1.00 0.00 C ATOM 1186 C LYS A 70 12.117 3.276 -8.523 1.00 0.00 C ATOM 1187 O LYS A 70 11.490 3.828 -9.434 1.00 0.00 O ATOM 1188 CB LYS A 70 11.787 0.821 -8.786 1.00 0.00 C ATOM 1189 CG LYS A 70 12.407 -0.550 -8.941 1.00 0.00 C ATOM 1190 CD LYS A 70 11.361 -1.639 -9.003 1.00 0.00 C ATOM 1191 CE LYS A 70 11.988 -3.008 -8.795 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.047 -3.333 -9.781 1.00 0.00 N ATOM 0 H LYS A 70 13.356 1.337 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 70 13.349 1.980 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.195 0.842 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.101 0.997 -9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.011 -0.575 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.080 -0.740 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.602 -1.463 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.856 -1.609 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.411 -3.056 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.208 -3.767 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.335 -4.326 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.682 -3.187 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.868 -2.714 -9.625 1.00 0.00 H new ATOM 1206 N VAL A 71 12.252 3.761 -7.290 1.00 0.00 N ATOM 1207 CA VAL A 71 11.668 4.998 -6.808 1.00 0.00 C ATOM 1208 C VAL A 71 10.158 4.899 -6.901 1.00 0.00 C ATOM 1209 O VAL A 71 9.506 5.638 -7.609 1.00 0.00 O ATOM 1210 CB VAL A 71 12.189 6.270 -7.548 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.722 7.508 -6.835 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.691 6.277 -7.643 1.00 0.00 C ATOM 0 H VAL A 71 12.795 3.278 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 71 11.978 5.122 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 71 11.785 6.255 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.090 8.390 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.632 7.527 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.104 7.506 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.018 7.177 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.119 6.262 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.025 5.397 -8.193 1.00 0.00 H new ATOM 1222 N VAL A 72 9.613 3.943 -6.218 1.00 0.00 N ATOM 1223 CA VAL A 72 8.204 3.681 -6.289 1.00 0.00 C ATOM 1224 C VAL A 72 7.653 3.242 -4.956 1.00 0.00 C ATOM 1225 O VAL A 72 8.352 2.613 -4.138 1.00 0.00 O ATOM 1226 CB VAL A 72 7.849 2.580 -7.345 1.00 0.00 C ATOM 1227 CG1 VAL A 72 8.066 3.037 -8.775 1.00 0.00 C ATOM 1228 CG2 VAL A 72 8.619 1.307 -7.080 1.00 0.00 C ATOM 0 H VAL A 72 10.128 3.321 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 72 7.750 4.625 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 72 6.783 2.384 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.802 2.230 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.439 3.905 -8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.113 3.305 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.354 0.559 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.688 1.511 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.371 0.932 -6.087 1.00 0.00 H new ATOM 1238 N VAL A 73 6.438 3.609 -4.733 1.00 0.00 N ATOM 1239 CA VAL A 73 5.664 3.136 -3.652 1.00 0.00 C ATOM 1240 C VAL A 73 4.873 1.983 -4.206 1.00 0.00 C ATOM 1241 O VAL A 73 3.874 2.169 -4.905 1.00 0.00 O ATOM 1242 CB VAL A 73 4.731 4.243 -3.099 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.778 3.707 -2.046 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.568 5.360 -2.516 1.00 0.00 C ATOM 0 H VAL A 73 5.942 4.274 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 73 6.289 2.831 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 73 4.128 4.619 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.142 4.516 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.157 2.924 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.349 3.296 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.914 6.140 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.186 4.968 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.208 5.778 -3.293 1.00 0.00 H new ATOM 1254 N PHE A 74 5.382 0.818 -3.979 1.00 0.00 N ATOM 1255 CA PHE A 74 4.830 -0.374 -4.537 1.00 0.00 C ATOM 1256 C PHE A 74 3.787 -0.948 -3.616 1.00 0.00 C ATOM 1257 O PHE A 74 4.100 -1.580 -2.613 1.00 0.00 O ATOM 1258 CB PHE A 74 5.965 -1.366 -4.834 1.00 0.00 C ATOM 1259 CG PHE A 74 5.538 -2.711 -5.347 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.594 -2.827 -6.348 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.102 -3.864 -4.830 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.220 -4.060 -6.814 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.727 -5.103 -5.297 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.783 -5.199 -6.291 1.00 0.00 C ATOM 0 H PHE A 74 6.203 0.664 -3.394 1.00 0.00 H new ATOM 0 HA PHE A 74 4.327 -0.151 -5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.635 -0.915 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.543 -1.513 -3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.146 -1.938 -6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.846 -3.791 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.479 -4.137 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.173 -5.996 -4.884 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.484 -6.169 -6.661 1.00 0.00 H new ATOM 1274 N VAL A 75 2.558 -0.667 -3.933 1.00 0.00 N ATOM 1275 CA VAL A 75 1.444 -1.128 -3.163 1.00 0.00 C ATOM 1276 C VAL A 75 1.197 -2.589 -3.465 1.00 0.00 C ATOM 1277 O VAL A 75 0.854 -2.959 -4.575 1.00 0.00 O ATOM 1278 CB VAL A 75 0.179 -0.314 -3.454 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.946 -0.747 -2.540 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.449 1.179 -3.317 1.00 0.00 C ATOM 0 H VAL A 75 2.299 -0.104 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 75 1.683 -1.000 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.123 -0.503 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.838 -0.160 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.159 -1.804 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.653 -0.589 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.464 1.735 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.780 1.397 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.225 1.475 -4.023 1.00 0.00 H new ATOM 1290 N ILE A 76 1.390 -3.391 -2.473 1.00 0.00 N ATOM 1291 CA ILE A 76 1.297 -4.817 -2.578 1.00 0.00 C ATOM 1292 C ILE A 76 -0.085 -5.324 -2.172 1.00 0.00 C ATOM 1293 O ILE A 76 -0.605 -6.270 -2.748 1.00 0.00 O ATOM 1294 CB ILE A 76 2.420 -5.454 -1.716 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.770 -5.046 -2.324 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.276 -6.980 -1.600 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.984 -5.433 -1.530 1.00 0.00 C ATOM 0 H ILE A 76 1.625 -3.067 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 76 1.433 -5.111 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 76 2.348 -5.084 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.850 -5.490 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.775 -3.964 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.086 -7.376 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.319 -7.221 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.321 -7.426 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.881 -5.097 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.939 -4.967 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.015 -6.517 -1.417 1.00 0.00 H new ATOM 1309 N SER A 77 -0.688 -4.713 -1.195 1.00 0.00 N ATOM 1310 CA SER A 77 -1.985 -5.164 -0.756 1.00 0.00 C ATOM 1311 C SER A 77 -2.916 -3.991 -0.517 1.00 0.00 C ATOM 1312 O SER A 77 -2.492 -2.950 -0.042 1.00 0.00 O ATOM 1313 CB SER A 77 -1.832 -6.020 0.499 1.00 0.00 C ATOM 1314 OG SER A 77 -0.914 -7.076 0.257 1.00 0.00 O ATOM 0 H SER A 77 -0.313 -3.911 -0.689 1.00 0.00 H new ATOM 0 HA SER A 77 -2.433 -5.774 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.482 -5.405 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.800 -6.428 0.791 1.00 0.00 H new ATOM 0 HG SER A 77 -0.575 -7.417 1.111 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.160 -4.158 -0.883 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.185 -3.147 -0.711 1.00 0.00 C ATOM 1322 C VAL A 78 -6.440 -3.881 -0.273 1.00 0.00 C ATOM 1323 O VAL A 78 -6.690 -4.991 -0.746 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.506 -2.389 -2.052 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.518 -1.285 -1.833 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.263 -1.823 -2.709 1.00 0.00 C ATOM 0 H VAL A 78 -4.501 -5.015 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.842 -2.407 0.012 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.931 -3.132 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.717 -0.781 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.444 -1.711 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.123 -0.566 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.540 -1.310 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.782 -1.117 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.572 -2.634 -2.939 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.166 -3.343 0.658 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.400 -3.965 1.049 1.00 0.00 C ATOM 1338 C GLY A 79 -8.388 -4.359 2.490 1.00 0.00 C ATOM 1339 O GLY A 79 -7.636 -3.790 3.295 1.00 0.00 O ATOM 0 H GLY A 79 -6.933 -2.485 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.227 -3.279 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.575 -4.847 0.432 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.212 -5.298 2.845 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.229 -5.785 4.190 1.00 0.00 C ATOM 1345 C LYS A 80 -8.546 -7.116 4.245 1.00 0.00 C ATOM 1346 O LYS A 80 -8.648 -7.923 3.313 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.647 -5.891 4.757 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.373 -4.560 4.878 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.740 -4.710 5.545 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.622 -5.194 6.994 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.940 -5.328 7.646 1.00 0.00 N ATOM 0 H LYS A 80 -9.883 -5.743 2.219 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.695 -5.065 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.232 -6.554 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.598 -6.356 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.763 -3.866 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.499 -4.125 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.261 -3.753 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.346 -5.415 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.109 -6.156 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.008 -4.494 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.812 -5.658 8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.420 -4.405 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.518 -6.016 7.122 1.00 0.00 H new ATOM 1715 N GLU B 54 -2.128 -8.034 13.931 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.428 -7.960 12.492 1.00 0.00 C ATOM 1717 C GLU B 54 -1.147 -7.861 11.652 1.00 0.00 C ATOM 1718 O GLU B 54 -1.106 -8.304 10.520 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.375 -6.795 12.169 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.823 -5.419 12.495 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.815 -4.324 12.202 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -3.952 -3.901 11.042 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -4.491 -3.851 13.143 1.00 0.00 O ATOM 0 HA GLU B 54 -2.934 -8.888 12.228 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.623 -6.830 11.108 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.305 -6.938 12.719 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -2.544 -5.382 13.548 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.914 -5.248 11.918 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.085 -7.319 12.234 1.00 0.00 N ATOM 1731 CA ASP B 55 1.199 -7.225 11.541 1.00 0.00 C ATOM 1732 C ASP B 55 1.715 -8.568 11.178 1.00 0.00 C ATOM 1733 O ASP B 55 2.300 -8.729 10.156 1.00 0.00 O ATOM 1734 CB ASP B 55 2.254 -6.508 12.353 1.00 0.00 C ATOM 1735 CG ASP B 55 2.081 -5.038 12.352 1.00 0.00 C ATOM 1736 OD1 ASP B 55 1.188 -4.537 13.039 1.00 0.00 O ATOM 1737 OD2 ASP B 55 2.846 -4.354 11.664 1.00 0.00 O ATOM 0 H ASP B 55 -0.084 -6.938 13.180 1.00 0.00 H new ATOM 0 HA ASP B 55 1.002 -6.643 10.641 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.224 -6.872 13.380 1.00 0.00 H new ATOM 0 HB3 ASP B 55 3.239 -6.753 11.957 1.00 0.00 H new ATOM 1742 N ALA B 56 1.429 -9.550 11.996 1.00 0.00 N ATOM 1743 CA ALA B 56 1.918 -10.896 11.754 1.00 0.00 C ATOM 1744 C ALA B 56 1.200 -11.506 10.552 1.00 0.00 C ATOM 1745 O ALA B 56 1.739 -12.348 9.843 1.00 0.00 O ATOM 1746 CB ALA B 56 1.731 -11.753 12.996 1.00 0.00 C ATOM 0 H ALA B 56 0.861 -9.449 12.837 1.00 0.00 H new ATOM 0 HA ALA B 56 2.984 -10.854 11.529 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.101 -12.760 12.802 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.285 -11.316 13.827 1.00 0.00 H new ATOM 0 HB3 ALA B 56 0.672 -11.799 13.251 1.00 0.00 H new ATOM 1752 N GLU B 57 0.027 -10.989 10.290 1.00 0.00 N ATOM 1753 CA GLU B 57 -0.834 -11.451 9.244 1.00 0.00 C ATOM 1754 C GLU B 57 -0.441 -10.746 7.949 1.00 0.00 C ATOM 1755 O GLU B 57 -0.278 -11.357 6.902 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.233 -11.058 9.645 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.361 -11.586 8.811 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.652 -10.991 9.294 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.963 -11.128 10.505 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.352 -10.357 8.492 1.00 0.00 O ATOM 0 H GLU B 57 -0.363 -10.209 10.819 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.763 -12.528 9.091 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.393 -11.383 10.673 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.292 -9.970 9.642 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -3.202 -11.336 7.762 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -3.400 -12.673 8.877 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.246 -9.456 8.049 1.00 0.00 N ATOM 1768 CA LEU B 58 0.096 -8.643 6.902 1.00 0.00 C ATOM 1769 C LEU B 58 1.513 -8.906 6.383 1.00 0.00 C ATOM 1770 O LEU B 58 1.746 -8.818 5.182 1.00 0.00 O ATOM 1771 CB LEU B 58 -0.145 -7.146 7.166 1.00 0.00 C ATOM 1772 CG LEU B 58 -1.613 -6.632 7.074 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -2.564 -7.337 8.029 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.668 -5.136 7.296 1.00 0.00 C ATOM 0 H LEU B 58 -0.319 -8.937 8.924 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.582 -8.948 6.105 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.232 -6.914 8.162 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.457 -6.577 6.457 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.952 -6.868 6.065 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -3.568 -6.929 7.910 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -2.578 -8.404 7.807 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -2.229 -7.184 9.055 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.701 -4.796 7.228 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.273 -4.900 8.284 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.070 -4.633 6.536 1.00 0.00 H new ATOM 1786 N VAL B 59 2.447 -9.265 7.273 1.00 0.00 N ATOM 1787 CA VAL B 59 3.836 -9.549 6.861 1.00 0.00 C ATOM 1788 C VAL B 59 3.915 -10.796 5.992 1.00 0.00 C ATOM 1789 O VAL B 59 4.802 -10.913 5.152 1.00 0.00 O ATOM 1790 CB VAL B 59 4.853 -9.660 8.049 1.00 0.00 C ATOM 1791 CG1 VAL B 59 4.932 -8.375 8.842 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.578 -10.861 8.944 1.00 0.00 C ATOM 0 H VAL B 59 2.274 -9.366 8.273 1.00 0.00 H new ATOM 0 HA VAL B 59 4.136 -8.677 6.279 1.00 0.00 H new ATOM 0 HB VAL B 59 5.833 -9.826 7.602 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.647 -8.493 9.656 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.255 -7.564 8.189 1.00 0.00 H new ATOM 0 HG13 VAL B 59 3.950 -8.140 9.253 1.00 0.00 H new ATOM 0 HG21 VAL B 59 5.311 -10.890 9.750 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.577 -10.778 9.367 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.649 -11.776 8.356 1.00 0.00 H new ATOM 1802 N GLU B 60 2.981 -11.715 6.168 1.00 0.00 N ATOM 1803 CA GLU B 60 2.990 -12.894 5.348 1.00 0.00 C ATOM 1804 C GLU B 60 2.290 -12.647 4.022 1.00 0.00 C ATOM 1805 O GLU B 60 2.711 -13.163 3.007 1.00 0.00 O ATOM 1806 CB GLU B 60 2.468 -14.143 6.065 1.00 0.00 C ATOM 1807 CG GLU B 60 1.106 -14.005 6.694 1.00 0.00 C ATOM 1808 CD GLU B 60 0.644 -15.281 7.333 1.00 0.00 C ATOM 1809 OE1 GLU B 60 1.021 -15.568 8.498 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.081 -16.043 6.680 1.00 0.00 O ATOM 0 H GLU B 60 2.229 -11.664 6.855 1.00 0.00 H new ATOM 0 HA GLU B 60 4.036 -13.112 5.132 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.438 -14.966 5.350 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.181 -14.421 6.841 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.133 -13.214 7.444 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.386 -13.700 5.934 1.00 0.00 H new ATOM 1817 N ILE B 61 1.257 -11.809 4.033 1.00 0.00 N ATOM 1818 CA ILE B 61 0.529 -11.469 2.804 1.00 0.00 C ATOM 1819 C ILE B 61 1.446 -10.715 1.837 1.00 0.00 C ATOM 1820 O ILE B 61 1.491 -11.008 0.636 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.730 -10.598 3.095 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.690 -11.343 4.039 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.440 -10.236 1.788 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.920 -10.545 4.441 1.00 0.00 C ATOM 0 H ILE B 61 0.903 -11.352 4.873 1.00 0.00 H new ATOM 0 HA ILE B 61 0.201 -12.407 2.355 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.411 -9.677 3.583 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.012 -12.265 3.556 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.146 -11.628 4.940 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.317 -9.628 2.007 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.760 -9.674 1.148 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.749 -11.148 1.277 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.541 -11.145 5.106 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.611 -9.635 4.955 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.491 -10.282 3.550 1.00 0.00 H new ATOM 1836 N VAL B 62 2.204 -9.776 2.374 1.00 0.00 N ATOM 1837 CA VAL B 62 3.101 -8.975 1.570 1.00 0.00 C ATOM 1838 C VAL B 62 4.223 -9.845 0.946 1.00 0.00 C ATOM 1839 O VAL B 62 4.498 -9.758 -0.265 1.00 0.00 O ATOM 1840 CB VAL B 62 3.672 -7.747 2.376 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.439 -8.172 3.592 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.522 -6.850 1.515 1.00 0.00 C ATOM 0 H VAL B 62 2.214 -9.551 3.369 1.00 0.00 H new ATOM 0 HA VAL B 62 2.523 -8.559 0.745 1.00 0.00 H new ATOM 0 HB VAL B 62 2.803 -7.178 2.707 1.00 0.00 H new ATOM 0 HG11 VAL B 62 4.812 -7.290 4.113 1.00 0.00 H new ATOM 0 HG12 VAL B 62 3.784 -8.737 4.256 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.279 -8.798 3.292 1.00 0.00 H new ATOM 0 HG21 VAL B 62 4.894 -6.018 2.113 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.364 -7.417 1.119 1.00 0.00 H new ATOM 0 HG23 VAL B 62 3.924 -6.465 0.689 1.00 0.00 H new ATOM 1852 N LYS B 63 4.800 -10.744 1.744 1.00 0.00 N ATOM 1853 CA LYS B 63 5.884 -11.589 1.259 1.00 0.00 C ATOM 1854 C LYS B 63 5.341 -12.654 0.306 1.00 0.00 C ATOM 1855 O LYS B 63 6.047 -13.099 -0.606 1.00 0.00 O ATOM 1856 CB LYS B 63 6.676 -12.212 2.411 1.00 0.00 C ATOM 1857 CG LYS B 63 5.923 -13.258 3.201 1.00 0.00 C ATOM 1858 CD LYS B 63 6.689 -13.706 4.434 1.00 0.00 C ATOM 1859 CE LYS B 63 8.067 -14.239 4.076 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.770 -14.790 5.247 1.00 0.00 N ATOM 0 H LYS B 63 4.537 -10.903 2.717 1.00 0.00 H new ATOM 0 HA LYS B 63 6.581 -10.961 0.705 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.583 -12.663 2.008 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.989 -11.419 3.090 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.955 -12.857 3.502 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.726 -14.120 2.564 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.791 -12.868 5.124 1.00 0.00 H new ATOM 0 HD3 LYS B 63 6.123 -14.479 4.953 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.969 -15.013 3.315 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.663 -13.437 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.705 -15.142 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 8.887 -14.045 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 8.215 -15.572 5.649 1.00 0.00 H new ATOM 1874 N GLU B 64 4.075 -13.036 0.519 1.00 0.00 N ATOM 1875 CA GLU B 64 3.354 -13.941 -0.363 1.00 0.00 C ATOM 1876 C GLU B 64 3.296 -13.343 -1.741 1.00 0.00 C ATOM 1877 O GLU B 64 3.707 -13.952 -2.712 1.00 0.00 O ATOM 1878 CB GLU B 64 1.920 -14.183 0.163 1.00 0.00 C ATOM 1879 CG GLU B 64 0.963 -14.796 -0.856 1.00 0.00 C ATOM 1880 CD GLU B 64 -0.403 -15.098 -0.288 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -1.265 -14.192 -0.243 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -0.651 -16.267 0.103 1.00 0.00 O ATOM 0 H GLU B 64 3.525 -12.719 1.317 1.00 0.00 H new ATOM 0 HA GLU B 64 3.875 -14.898 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.972 -14.838 1.033 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.507 -13.233 0.504 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.855 -14.113 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.399 -15.716 -1.245 1.00 0.00 H new ATOM 1889 N ARG B 65 2.833 -12.135 -1.808 1.00 0.00 N ATOM 1890 CA ARG B 65 2.705 -11.453 -3.057 1.00 0.00 C ATOM 1891 C ARG B 65 4.063 -11.076 -3.625 1.00 0.00 C ATOM 1892 O ARG B 65 4.224 -10.994 -4.833 1.00 0.00 O ATOM 1893 CB ARG B 65 1.793 -10.263 -2.918 1.00 0.00 C ATOM 1894 CG ARG B 65 0.360 -10.646 -2.622 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.530 -9.435 -2.563 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.904 -9.785 -2.196 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.977 -9.035 -2.426 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.858 -7.890 -3.101 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.165 -9.447 -2.003 1.00 0.00 N ATOM 0 H ARG B 65 2.533 -11.593 -0.998 1.00 0.00 H new ATOM 0 HA ARG B 65 2.247 -12.133 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.163 -9.620 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.824 -9.679 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG B 65 -0.002 -11.329 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.313 -11.181 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.130 -8.725 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.529 -8.936 -3.532 1.00 0.00 H new ATOM 0 HE ARG B 65 -2.050 -10.678 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.944 -7.591 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.681 -7.314 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.250 -10.333 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.993 -8.877 -2.175 1.00 0.00 H new ATOM 1913 N LEU B 66 5.057 -10.920 -2.751 1.00 0.00 N ATOM 1914 CA LEU B 66 6.423 -10.626 -3.198 1.00 0.00 C ATOM 1915 C LEU B 66 7.094 -11.803 -3.914 1.00 0.00 C ATOM 1916 O LEU B 66 8.134 -11.618 -4.545 1.00 0.00 O ATOM 1917 CB LEU B 66 7.329 -10.138 -2.056 1.00 0.00 C ATOM 1918 CG LEU B 66 7.115 -8.702 -1.574 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.978 -8.419 -0.353 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.458 -7.721 -2.690 1.00 0.00 C ATOM 0 H LEU B 66 4.947 -10.991 -1.739 1.00 0.00 H new ATOM 0 HA LEU B 66 6.304 -9.817 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU B 66 7.194 -10.806 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU B 66 8.366 -10.238 -2.378 1.00 0.00 H new ATOM 0 HG LEU B 66 6.067 -8.579 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.815 -7.393 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.710 -9.106 0.449 1.00 0.00 H new ATOM 0 HD13 LEU B 66 9.028 -8.554 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.303 -6.701 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.501 -7.850 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.816 -7.910 -3.550 1.00 0.00 H new ATOM 1932 N ARG B 67 6.526 -13.013 -3.821 1.00 0.00 N ATOM 1933 CA ARG B 67 7.152 -14.156 -4.495 1.00 0.00 C ATOM 1934 C ARG B 67 6.975 -14.041 -6.012 1.00 0.00 C ATOM 1935 O ARG B 67 7.868 -14.403 -6.777 1.00 0.00 O ATOM 1936 CB ARG B 67 6.663 -15.530 -3.963 1.00 0.00 C ATOM 1937 CG ARG B 67 5.225 -15.895 -4.302 1.00 0.00 C ATOM 1938 CD ARG B 67 4.791 -17.192 -3.632 1.00 0.00 C ATOM 1939 NE ARG B 67 5.596 -18.348 -4.056 1.00 0.00 N ATOM 1940 CZ ARG B 67 5.187 -19.622 -4.003 1.00 0.00 C ATOM 1941 NH1 ARG B 67 3.984 -19.914 -3.528 1.00 0.00 N ATOM 1942 NH2 ARG B 67 5.986 -20.600 -4.427 1.00 0.00 N ATOM 0 H ARG B 67 5.669 -13.221 -3.308 1.00 0.00 H new ATOM 0 HA ARG B 67 8.216 -14.118 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG B 67 7.318 -16.306 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG B 67 6.775 -15.540 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG B 67 4.563 -15.087 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.121 -15.993 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG B 67 4.866 -17.080 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG B 67 3.742 -17.381 -3.861 1.00 0.00 H new ATOM 0 HE ARG B 67 6.533 -18.166 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG B 67 3.369 -19.168 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG B 67 3.673 -20.885 -3.488 1.00 0.00 H new ATOM 0 HH21 ARG B 67 6.912 -20.379 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG B 67 5.672 -21.569 -4.385 1.00 0.00 H new ATOM 1956 N ASN B 68 5.834 -13.513 -6.435 1.00 0.00 N ATOM 1957 CA ASN B 68 5.539 -13.260 -7.853 1.00 0.00 C ATOM 1958 C ASN B 68 4.598 -12.074 -7.925 1.00 0.00 C ATOM 1959 O ASN B 68 3.379 -12.253 -8.004 1.00 0.00 O ATOM 1960 CB ASN B 68 4.884 -14.464 -8.595 1.00 0.00 C ATOM 1961 CG ASN B 68 5.688 -15.751 -8.570 1.00 0.00 C ATOM 1962 OD1 ASN B 68 5.469 -16.614 -7.712 1.00 0.00 O ATOM 1963 ND2 ASN B 68 6.634 -15.889 -9.470 1.00 0.00 N ATOM 0 H ASN B 68 5.078 -13.244 -5.806 1.00 0.00 H new ATOM 0 HA ASN B 68 6.490 -13.077 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN B 68 3.907 -14.656 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN B 68 4.713 -14.181 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.215 -16.728 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.788 -15.158 -10.164 1.00 0.00 H new ATOM 1970 N PRO B 69 5.138 -10.850 -7.821 1.00 0.00 N ATOM 1971 CA PRO B 69 4.328 -9.632 -7.769 1.00 0.00 C ATOM 1972 C PRO B 69 3.825 -9.154 -9.128 1.00 0.00 C ATOM 1973 O PRO B 69 2.624 -9.132 -9.375 1.00 0.00 O ATOM 1974 CB PRO B 69 5.269 -8.580 -7.153 1.00 0.00 C ATOM 1975 CG PRO B 69 6.611 -9.237 -6.987 1.00 0.00 C ATOM 1976 CD PRO B 69 6.571 -10.551 -7.716 1.00 0.00 C ATOM 0 HA PRO B 69 3.418 -9.811 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.345 -7.705 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.886 -8.235 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.400 -8.601 -7.388 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.833 -9.392 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.037 -10.478 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.103 -11.329 -7.168 1.00 0.00 H new ATOM 1984 N LYS B 70 4.767 -8.809 -10.010 1.00 0.00 N ATOM 1985 CA LYS B 70 4.477 -8.217 -11.315 1.00 0.00 C ATOM 1986 C LYS B 70 3.808 -6.855 -11.170 1.00 0.00 C ATOM 1987 O LYS B 70 2.579 -6.730 -11.219 1.00 0.00 O ATOM 1988 CB LYS B 70 3.725 -9.156 -12.296 1.00 0.00 C ATOM 1989 CG LYS B 70 4.590 -10.264 -12.900 1.00 0.00 C ATOM 1990 CD LYS B 70 5.051 -11.292 -11.876 1.00 0.00 C ATOM 1991 CE LYS B 70 6.138 -12.176 -12.444 1.00 0.00 C ATOM 1992 NZ LYS B 70 7.410 -11.430 -12.653 1.00 0.00 N ATOM 0 H LYS B 70 5.764 -8.935 -9.834 1.00 0.00 H new ATOM 0 HA LYS B 70 5.446 -8.062 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.886 -9.613 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.307 -8.557 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS B 70 4.026 -10.770 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.463 -9.816 -13.374 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.420 -10.783 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.205 -11.905 -11.565 1.00 0.00 H new ATOM 0 HE2 LYS B 70 6.315 -13.013 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.804 -12.597 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 8.199 -12.103 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 7.345 -10.872 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 7.575 -10.793 -11.848 1.00 0.00 H new ATOM 2006 N PRO B 71 4.629 -5.820 -10.926 1.00 0.00 N ATOM 2007 CA PRO B 71 4.149 -4.470 -10.710 1.00 0.00 C ATOM 2008 C PRO B 71 3.802 -3.720 -12.003 1.00 0.00 C ATOM 2009 O PRO B 71 4.272 -4.064 -13.109 1.00 0.00 O ATOM 2010 CB PRO B 71 5.318 -3.816 -9.995 1.00 0.00 C ATOM 2011 CG PRO B 71 6.519 -4.476 -10.521 1.00 0.00 C ATOM 2012 CD PRO B 71 6.114 -5.890 -10.821 1.00 0.00 C ATOM 0 HA PRO B 71 3.212 -4.457 -10.153 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.344 -2.743 -10.186 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.240 -3.946 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.879 -3.974 -11.419 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.330 -4.448 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.564 -6.247 -11.747 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.427 -6.572 -10.031 1.00 0.00 H new ATOM 2020 N VAL B 72 2.976 -2.722 -11.847 1.00 0.00 N ATOM 2021 CA VAL B 72 2.506 -1.865 -12.899 1.00 0.00 C ATOM 2022 C VAL B 72 2.696 -0.429 -12.422 1.00 0.00 C ATOM 2023 O VAL B 72 1.940 0.050 -11.564 1.00 0.00 O ATOM 2024 CB VAL B 72 0.988 -2.078 -13.188 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.549 -1.295 -14.421 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.630 -3.550 -13.331 1.00 0.00 C ATOM 0 H VAL B 72 2.593 -2.472 -10.935 1.00 0.00 H new ATOM 0 HA VAL B 72 3.059 -2.086 -13.812 1.00 0.00 H new ATOM 0 HB VAL B 72 0.445 -1.695 -12.324 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.513 -1.462 -14.599 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.727 -0.232 -14.259 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.119 -1.631 -15.287 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.437 -3.647 -13.531 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.195 -3.983 -14.156 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.875 -4.075 -12.408 1.00 0.00 H new ATOM 2036 N ARG B 73 3.734 0.213 -12.912 1.00 0.00 N ATOM 2037 CA ARG B 73 4.059 1.586 -12.544 1.00 0.00 C ATOM 2038 C ARG B 73 2.927 2.495 -13.020 1.00 0.00 C ATOM 2039 O ARG B 73 2.651 2.575 -14.217 1.00 0.00 O ATOM 2040 CB ARG B 73 5.414 1.971 -13.203 1.00 0.00 C ATOM 2041 CG ARG B 73 6.138 3.236 -12.675 1.00 0.00 C ATOM 2042 CD ARG B 73 5.361 4.532 -12.883 1.00 0.00 C ATOM 2043 NE ARG B 73 4.924 4.704 -14.277 1.00 0.00 N ATOM 2044 CZ ARG B 73 4.625 5.859 -14.862 1.00 0.00 C ATOM 2045 NH1 ARG B 73 4.960 7.010 -14.287 1.00 0.00 N ATOM 2046 NH2 ARG B 73 4.066 5.853 -16.059 1.00 0.00 N ATOM 0 H ARG B 73 4.384 -0.200 -13.581 1.00 0.00 H new ATOM 0 HA ARG B 73 4.160 1.694 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG B 73 6.093 1.125 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG B 73 5.242 2.104 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.336 3.110 -11.610 1.00 0.00 H new ATOM 0 HG3 ARG B 73 7.105 3.321 -13.171 1.00 0.00 H new ATOM 0 HD2 ARG B 73 4.490 4.540 -12.228 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.985 5.377 -12.593 1.00 0.00 H new ATOM 0 HE ARG B 73 4.843 3.861 -14.846 1.00 0.00 H new ATOM 0 HH11 ARG B 73 5.449 7.010 -13.392 1.00 0.00 H new ATOM 0 HH12 ARG B 73 4.728 7.893 -14.741 1.00 0.00 H new ATOM 0 HH21 ARG B 73 3.868 4.968 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG B 73 3.832 6.734 -16.517 1.00 0.00 H new ATOM 2060 N VAL B 74 2.288 3.171 -12.099 1.00 0.00 N ATOM 2061 CA VAL B 74 1.162 4.033 -12.410 1.00 0.00 C ATOM 2062 C VAL B 74 1.265 5.363 -11.656 1.00 0.00 C ATOM 2063 O VAL B 74 2.299 5.679 -11.048 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.213 3.357 -12.073 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.475 2.140 -12.950 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.284 2.968 -10.610 1.00 0.00 C ATOM 0 H VAL B 74 2.530 3.143 -11.108 1.00 0.00 H new ATOM 0 HA VAL B 74 1.201 4.216 -13.484 1.00 0.00 H new ATOM 0 HB VAL B 74 -0.989 4.094 -12.279 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.437 1.701 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.490 2.443 -13.997 1.00 0.00 H new ATOM 0 HG13 VAL B 74 0.314 1.404 -12.797 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.247 2.502 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.516 2.264 -10.381 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -0.172 3.858 -9.991 1.00 0.00 H new ATOM 2076 N THR B 75 0.221 6.141 -11.744 1.00 0.00 N ATOM 2077 CA THR B 75 0.102 7.401 -11.063 1.00 0.00 C ATOM 2078 C THR B 75 -1.265 7.461 -10.382 1.00 0.00 C ATOM 2079 O THR B 75 -2.126 6.626 -10.655 1.00 0.00 O ATOM 2080 CB THR B 75 0.238 8.583 -12.059 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.640 8.384 -13.181 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.675 8.751 -12.543 1.00 0.00 C ATOM 0 H THR B 75 -0.596 5.908 -12.309 1.00 0.00 H new ATOM 0 HA THR B 75 0.900 7.484 -10.325 1.00 0.00 H new ATOM 0 HB THR B 75 -0.044 9.495 -11.533 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.550 9.135 -13.804 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.729 9.588 -13.239 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.326 8.945 -11.690 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.998 7.840 -13.046 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.474 8.433 -9.523 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.774 8.618 -8.873 1.00 0.00 C ATOM 2092 C LEU B 76 -3.705 9.268 -9.853 1.00 0.00 C ATOM 2093 O LEU B 76 -4.917 9.084 -9.814 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.631 9.505 -7.648 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.748 8.952 -6.553 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.451 10.021 -5.530 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.417 7.772 -5.881 1.00 0.00 C ATOM 0 H LEU B 76 -0.766 9.115 -9.251 1.00 0.00 H new ATOM 0 HA LEU B 76 -3.166 7.651 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.232 10.470 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.623 9.689 -7.235 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.812 8.619 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.814 9.609 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.940 10.854 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.384 10.373 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.768 7.385 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.364 8.090 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.601 6.990 -6.618 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.101 10.007 -10.746 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.771 10.723 -11.809 1.00 0.00 C ATOM 2111 C ASP B 77 -4.529 9.771 -12.739 1.00 0.00 C ATOM 2112 O ASP B 77 -5.599 10.111 -13.252 1.00 0.00 O ATOM 2113 CB ASP B 77 -2.734 11.524 -12.593 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.312 12.268 -13.763 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -3.778 13.399 -13.594 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.290 11.748 -14.873 1.00 0.00 O ATOM 0 H ASP B 77 -2.089 10.134 -10.756 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.507 11.396 -11.370 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.253 12.235 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -1.958 10.847 -12.950 1.00 0.00 H new ATOM 2121 N GLU B 78 -3.997 8.574 -12.940 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.657 7.617 -13.811 1.00 0.00 C ATOM 2123 C GLU B 78 -5.606 6.697 -13.052 1.00 0.00 C ATOM 2124 O GLU B 78 -6.301 5.873 -13.667 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.663 6.795 -14.627 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.746 5.907 -13.820 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.889 5.061 -14.708 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -2.435 4.129 -15.356 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.664 5.305 -14.782 1.00 0.00 O ATOM 0 H GLU B 78 -3.127 8.248 -12.520 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.252 8.212 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.220 6.173 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.053 7.477 -15.220 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.114 6.521 -13.178 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.339 5.267 -13.166 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.630 6.806 -11.734 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.532 5.985 -10.964 1.00 0.00 C ATOM 2138 C LEU B 79 -7.908 6.625 -10.955 1.00 0.00 C ATOM 2139 O LEU B 79 -8.207 7.399 -10.029 1.00 0.00 O ATOM 2140 CB LEU B 79 -6.019 5.779 -9.533 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.632 5.148 -9.383 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -4.288 4.974 -7.920 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.546 3.816 -10.114 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.674 6.401 -11.903 1.00 0.00 O ATOM 0 H LEU B 79 -5.047 7.442 -11.190 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.593 5.001 -11.429 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -6.008 6.747 -9.033 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.736 5.154 -9.001 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.906 5.823 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -3.299 4.524 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.291 5.946 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -5.026 4.326 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.549 3.395 -9.987 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -5.285 3.128 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.743 3.970 -11.175 1.00 0.00 H new