USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 794 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 26 LYS NZ :NH3+ 152:sc= -0.945 (180deg=-2.24!) USER MOD Set 1.2: A 30 THR OG1 : rot 170:sc= -0.897 USER MOD Single : A 11 ASN : amide:sc= -0.382 K(o=-0.38,f=-4.5!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.732 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 157:sc= -0.26 (180deg=-1.1) USER MOD Single : A 42 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.4) USER MOD Single : A 46 TYR OH : rot 72:sc= 0 USER MOD Single : A 47 CYS SG : rot 150:sc= -3.02! USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -170:sc= -0.511 (180deg=-0.756) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc=-0.00698 (180deg=-0.161) USER MOD Single : A 70 MET CE :methyl 160:sc= -1.24 (180deg=-2.45) USER MOD Single : A 71 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.5!) USER MOD Single : A 72 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.021) USER MOD Single : A 73 SER OG : rot 76:sc= 0.659 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.026) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 90 GLN : amide:sc= -2.4 K(o=-2.4,f=-6.1!) USER MOD Single : A 94 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 122:sc= -4.22! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 173:sc=-0.00935 (180deg=-0.177) USER MOD Single : A 104 THR OG1 : rot -37:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 13.412 -2.283 3.909 1.00 0.00 N ATOM 2 CA ALA A 8 13.857 -0.907 4.092 1.00 0.00 C ATOM 3 C ALA A 8 13.447 -0.035 2.910 1.00 0.00 C ATOM 4 O ALA A 8 14.295 0.475 2.180 1.00 0.00 O ATOM 5 CB ALA A 8 15.366 -0.863 4.285 1.00 0.00 C ATOM 0 HA ALA A 8 13.375 -0.511 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.685 0.170 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.637 -1.445 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.857 -1.283 3.407 1.00 0.00 H new ATOM 11 N ALA A 9 12.141 0.132 2.730 1.00 0.00 N ATOM 12 CA ALA A 9 11.619 0.945 1.638 1.00 0.00 C ATOM 13 C ALA A 9 12.041 2.402 1.787 1.00 0.00 C ATOM 14 O ALA A 9 12.415 2.858 2.869 1.00 0.00 O ATOM 15 CB ALA A 9 10.102 0.836 1.578 1.00 0.00 C ATOM 0 H ALA A 9 11.425 -0.284 3.326 1.00 0.00 H new ATOM 0 HA ALA A 9 12.037 0.567 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.725 1.448 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.818 -0.204 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.675 1.186 2.518 1.00 0.00 H new ATOM 21 N PRO A 10 11.980 3.153 0.678 1.00 0.00 N ATOM 22 CA PRO A 10 12.354 4.571 0.660 1.00 0.00 C ATOM 23 C PRO A 10 11.359 5.441 1.421 1.00 0.00 C ATOM 24 O PRO A 10 10.152 5.360 1.197 1.00 0.00 O ATOM 25 CB PRO A 10 12.341 4.922 -0.830 1.00 0.00 C ATOM 26 CG PRO A 10 11.400 3.943 -1.443 1.00 0.00 C ATOM 27 CD PRO A 10 11.544 2.676 -0.645 1.00 0.00 C ATOM 0 HA PRO A 10 13.315 4.746 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.007 5.947 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.337 4.839 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.375 4.312 -1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.642 3.773 -2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.603 2.130 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.276 2.002 -1.090 1.00 0.00 H new ATOM 35 N ASN A 11 11.874 6.273 2.321 1.00 0.00 N ATOM 36 CA ASN A 11 11.030 7.158 3.114 1.00 0.00 C ATOM 37 C ASN A 11 11.470 8.611 2.961 1.00 0.00 C ATOM 38 O ASN A 11 11.501 9.368 3.931 1.00 0.00 O ATOM 39 CB ASN A 11 11.075 6.753 4.589 1.00 0.00 C ATOM 40 CG ASN A 11 10.364 5.440 4.850 1.00 0.00 C ATOM 41 OD1 ASN A 11 10.046 4.697 3.920 1.00 0.00 O ATOM 42 ND2 ASN A 11 10.111 5.146 6.120 1.00 0.00 N ATOM 0 H ASN A 11 12.871 6.352 2.519 1.00 0.00 H new ATOM 0 HA ASN A 11 10.007 7.066 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.114 6.670 4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.617 7.537 5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.635 4.275 6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.392 5.791 6.859 1.00 0.00 H new ATOM 49 N LEU A 12 11.809 8.994 1.734 1.00 0.00 N ATOM 50 CA LEU A 12 12.247 10.356 1.452 1.00 0.00 C ATOM 51 C LEU A 12 11.130 11.162 0.796 1.00 0.00 C ATOM 52 O LEU A 12 10.509 10.712 -0.166 1.00 0.00 O ATOM 53 CB LEU A 12 13.479 10.340 0.546 1.00 0.00 C ATOM 54 CG LEU A 12 14.052 11.707 0.166 1.00 0.00 C ATOM 55 CD1 LEU A 12 15.020 12.194 1.232 1.00 0.00 C ATOM 56 CD2 LEU A 12 14.738 11.638 -1.190 1.00 0.00 C ATOM 0 H LEU A 12 11.789 8.380 0.919 1.00 0.00 H new ATOM 0 HA LEU A 12 12.506 10.831 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.262 9.765 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.224 9.808 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 12 13.230 12.420 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.418 13.167 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.498 12.282 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.840 11.482 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.140 12.619 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.550 10.912 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.016 11.334 -1.948 1.00 0.00 H new ATOM 68 N ALA A 13 10.883 12.357 1.321 1.00 0.00 N ATOM 69 CA ALA A 13 9.844 13.228 0.784 1.00 0.00 C ATOM 70 C ALA A 13 8.464 12.602 0.947 1.00 0.00 C ATOM 71 O ALA A 13 7.498 13.032 0.317 1.00 0.00 O ATOM 72 CB ALA A 13 10.117 13.533 -0.682 1.00 0.00 C ATOM 0 H ALA A 13 11.388 12.745 2.118 1.00 0.00 H new ATOM 0 HA ALA A 13 9.860 14.161 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.334 14.184 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.082 14.030 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.131 12.603 -1.251 1.00 0.00 H new ATOM 78 N GLY A 14 8.378 11.582 1.795 1.00 0.00 N ATOM 79 CA GLY A 14 7.112 10.912 2.026 1.00 0.00 C ATOM 80 C GLY A 14 6.527 10.325 0.756 1.00 0.00 C ATOM 81 O GLY A 14 5.334 10.029 0.693 1.00 0.00 O ATOM 0 H GLY A 14 9.164 11.207 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.253 10.117 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.403 11.620 2.456 1.00 0.00 H new ATOM 85 N ALA A 15 7.369 10.157 -0.258 1.00 0.00 N ATOM 86 CA ALA A 15 6.930 9.602 -1.532 1.00 0.00 C ATOM 87 C ALA A 15 5.707 10.344 -2.062 1.00 0.00 C ATOM 88 O ALA A 15 4.764 9.729 -2.561 1.00 0.00 O ATOM 89 CB ALA A 15 6.627 8.118 -1.384 1.00 0.00 C ATOM 0 H ALA A 15 8.360 10.397 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 15 7.738 9.727 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.300 7.716 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.525 7.594 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.838 7.980 -0.645 1.00 0.00 H new ATOM 95 N VAL A 16 5.729 11.667 -1.949 1.00 0.00 N ATOM 96 CA VAL A 16 4.622 12.493 -2.417 1.00 0.00 C ATOM 97 C VAL A 16 4.324 12.229 -3.888 1.00 0.00 C ATOM 98 O VAL A 16 3.202 12.438 -4.351 1.00 0.00 O ATOM 99 CB VAL A 16 4.920 13.992 -2.226 1.00 0.00 C ATOM 100 CG1 VAL A 16 4.810 14.375 -0.758 1.00 0.00 C ATOM 101 CG2 VAL A 16 6.296 14.335 -2.773 1.00 0.00 C ATOM 0 H VAL A 16 6.501 12.191 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 16 3.751 12.224 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 16 4.180 14.566 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.024 15.438 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.801 14.167 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.526 13.795 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.490 15.398 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.052 13.754 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.334 14.099 -3.837 1.00 0.00 H new ATOM 111 N GLU A 17 5.335 11.769 -4.618 1.00 0.00 N ATOM 112 CA GLU A 17 5.180 11.478 -6.039 1.00 0.00 C ATOM 113 C GLU A 17 4.328 10.228 -6.248 1.00 0.00 C ATOM 114 O GLU A 17 4.568 9.190 -5.631 1.00 0.00 O ATOM 115 CB GLU A 17 6.549 11.290 -6.696 1.00 0.00 C ATOM 116 CG GLU A 17 7.241 12.598 -7.043 1.00 0.00 C ATOM 117 CD GLU A 17 7.978 13.199 -5.862 1.00 0.00 C ATOM 118 OE1 GLU A 17 8.790 12.479 -5.242 1.00 0.00 O ATOM 119 OE2 GLU A 17 7.745 14.386 -5.558 1.00 0.00 O ATOM 0 H GLU A 17 6.269 11.590 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 17 4.675 12.324 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.189 10.717 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.429 10.700 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.945 12.427 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.501 13.311 -7.406 1.00 0.00 H new ATOM 126 N PHE A 18 3.332 10.338 -7.120 1.00 0.00 N ATOM 127 CA PHE A 18 2.443 9.219 -7.410 1.00 0.00 C ATOM 128 C PHE A 18 3.197 8.093 -8.111 1.00 0.00 C ATOM 129 O PHE A 18 2.905 6.915 -7.907 1.00 0.00 O ATOM 130 CB PHE A 18 1.273 9.682 -8.280 1.00 0.00 C ATOM 131 CG PHE A 18 0.201 8.641 -8.447 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.278 7.940 -7.353 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.324 8.364 -9.699 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.263 6.982 -7.503 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.310 7.409 -9.855 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.779 6.715 -8.757 1.00 0.00 C ATOM 0 H PHE A 18 3.120 11.191 -7.638 1.00 0.00 H new ATOM 0 HA PHE A 18 2.056 8.840 -6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.834 10.577 -7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.651 9.964 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.123 8.144 -6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.042 8.900 -10.562 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.629 6.443 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.714 7.205 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.547 5.965 -8.878 1.00 0.00 H new ATOM 146 N SER A 19 4.170 8.464 -8.938 1.00 0.00 N ATOM 147 CA SER A 19 4.963 7.486 -9.673 1.00 0.00 C ATOM 148 C SER A 19 5.772 6.614 -8.716 1.00 0.00 C ATOM 149 O SER A 19 5.835 5.395 -8.874 1.00 0.00 O ATOM 150 CB SER A 19 5.900 8.193 -10.654 1.00 0.00 C ATOM 151 OG SER A 19 6.849 8.992 -9.968 1.00 0.00 O ATOM 0 H SER A 19 4.428 9.435 -9.115 1.00 0.00 H new ATOM 0 HA SER A 19 4.280 6.845 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.417 7.453 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.318 8.816 -11.333 1.00 0.00 H new ATOM 0 HG SER A 19 7.437 9.432 -10.617 1.00 0.00 H new ATOM 157 N ASP A 20 6.390 7.249 -7.726 1.00 0.00 N ATOM 158 CA ASP A 20 7.194 6.533 -6.744 1.00 0.00 C ATOM 159 C ASP A 20 6.369 5.456 -6.046 1.00 0.00 C ATOM 160 O ASP A 20 6.769 4.294 -5.986 1.00 0.00 O ATOM 161 CB ASP A 20 7.763 7.507 -5.711 1.00 0.00 C ATOM 162 CG ASP A 20 9.001 6.966 -5.023 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.989 6.672 -5.728 1.00 0.00 O ATOM 164 OD2 ASP A 20 8.981 6.835 -3.781 1.00 0.00 O ATOM 0 H ASP A 20 6.349 8.258 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 20 8.018 6.050 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.006 8.450 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.001 7.724 -4.963 1.00 0.00 H new ATOM 169 N VAL A 21 5.215 5.852 -5.518 1.00 0.00 N ATOM 170 CA VAL A 21 4.332 4.923 -4.823 1.00 0.00 C ATOM 171 C VAL A 21 3.903 3.783 -5.742 1.00 0.00 C ATOM 172 O VAL A 21 3.774 2.638 -5.309 1.00 0.00 O ATOM 173 CB VAL A 21 3.077 5.634 -4.285 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.248 4.685 -3.435 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.466 6.873 -3.492 1.00 0.00 C ATOM 0 H VAL A 21 4.870 6.811 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 21 4.897 4.518 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 21 2.468 5.949 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.365 5.206 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.939 3.832 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.845 4.336 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.567 7.363 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.097 6.584 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.013 7.561 -4.137 1.00 0.00 H new ATOM 185 N LYS A 22 3.684 4.105 -7.012 1.00 0.00 N ATOM 186 CA LYS A 22 3.271 3.110 -7.994 1.00 0.00 C ATOM 187 C LYS A 22 4.318 2.009 -8.127 1.00 0.00 C ATOM 188 O LYS A 22 4.006 0.823 -8.012 1.00 0.00 O ATOM 189 CB LYS A 22 3.035 3.771 -9.353 1.00 0.00 C ATOM 190 CG LYS A 22 1.639 4.346 -9.517 1.00 0.00 C ATOM 191 CD LYS A 22 1.252 4.464 -10.981 1.00 0.00 C ATOM 192 CE LYS A 22 1.900 5.677 -11.632 1.00 0.00 C ATOM 193 NZ LYS A 22 1.432 5.871 -13.032 1.00 0.00 N ATOM 0 H LYS A 22 3.786 5.049 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 22 2.339 2.661 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.765 4.568 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.211 3.037 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.920 3.711 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.592 5.328 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.552 3.561 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.168 4.539 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.673 6.568 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.983 5.558 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.896 6.707 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.671 5.031 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.401 6.010 -13.037 1.00 0.00 H new ATOM 207 N THR A 23 5.564 2.409 -8.367 1.00 0.00 N ATOM 208 CA THR A 23 6.657 1.457 -8.515 1.00 0.00 C ATOM 209 C THR A 23 6.874 0.666 -7.230 1.00 0.00 C ATOM 210 O THR A 23 7.067 -0.551 -7.263 1.00 0.00 O ATOM 211 CB THR A 23 7.971 2.166 -8.896 1.00 0.00 C ATOM 212 OG1 THR A 23 7.811 2.858 -10.139 1.00 0.00 O ATOM 213 CG2 THR A 23 9.111 1.166 -9.010 1.00 0.00 C ATOM 0 H THR A 23 5.840 3.386 -8.463 1.00 0.00 H new ATOM 0 HA THR A 23 6.376 0.774 -9.316 1.00 0.00 H new ATOM 0 HB THR A 23 8.213 2.882 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.650 3.307 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.028 1.689 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.249 0.661 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.874 0.430 -9.778 1.00 0.00 H new ATOM 221 N LEU A 24 6.842 1.362 -6.099 1.00 0.00 N ATOM 222 CA LEU A 24 7.034 0.723 -4.802 1.00 0.00 C ATOM 223 C LEU A 24 6.014 -0.390 -4.586 1.00 0.00 C ATOM 224 O LEU A 24 6.345 -1.459 -4.072 1.00 0.00 O ATOM 225 CB LEU A 24 6.923 1.757 -3.681 1.00 0.00 C ATOM 226 CG LEU A 24 7.032 1.216 -2.255 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.475 1.257 -1.775 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.133 2.006 -1.314 1.00 0.00 C ATOM 0 H LEU A 24 6.685 2.369 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 24 8.031 0.284 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.703 2.505 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.967 2.271 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 24 6.701 0.177 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.531 0.868 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.094 0.647 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.834 2.286 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.224 1.607 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.433 3.054 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.098 1.924 -1.645 1.00 0.00 H new ATOM 240 N LEU A 25 4.773 -0.132 -4.983 1.00 0.00 N ATOM 241 CA LEU A 25 3.703 -1.113 -4.835 1.00 0.00 C ATOM 242 C LEU A 25 3.823 -2.211 -5.886 1.00 0.00 C ATOM 243 O LEU A 25 3.775 -3.400 -5.567 1.00 0.00 O ATOM 244 CB LEU A 25 2.339 -0.430 -4.948 1.00 0.00 C ATOM 245 CG LEU A 25 1.779 0.170 -3.657 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.756 1.251 -3.970 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.162 -0.917 -2.789 1.00 0.00 C ATOM 0 H LEU A 25 4.483 0.748 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 25 3.794 -1.568 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.413 0.364 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.621 -1.157 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 25 2.600 0.626 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.369 1.666 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.229 2.042 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.064 0.820 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.769 -0.473 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.352 -1.402 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.922 -1.656 -2.535 1.00 0.00 H new ATOM 259 N LYS A 26 3.980 -1.808 -7.142 1.00 0.00 N ATOM 260 CA LYS A 26 4.111 -2.757 -8.241 1.00 0.00 C ATOM 261 C LYS A 26 5.249 -3.738 -7.980 1.00 0.00 C ATOM 262 O LYS A 26 5.094 -4.945 -8.167 1.00 0.00 O ATOM 263 CB LYS A 26 4.357 -2.015 -9.557 1.00 0.00 C ATOM 264 CG LYS A 26 3.594 -2.596 -10.735 1.00 0.00 C ATOM 265 CD LYS A 26 4.154 -3.946 -11.149 1.00 0.00 C ATOM 266 CE LYS A 26 5.527 -3.807 -11.790 1.00 0.00 C ATOM 267 NZ LYS A 26 6.623 -4.014 -10.802 1.00 0.00 N ATOM 0 H LYS A 26 4.020 -0.829 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 26 3.180 -3.318 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.076 -0.969 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.424 -2.034 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.542 -2.703 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.643 -1.906 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.223 -4.596 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.471 -4.425 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.625 -4.531 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.622 -2.817 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.466 -4.379 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.853 -3.109 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.316 -4.699 -10.082 1.00 0.00 H new ATOM 281 N GLU A 27 6.390 -3.214 -7.544 1.00 0.00 N ATOM 282 CA GLU A 27 7.552 -4.046 -7.257 1.00 0.00 C ATOM 283 C GLU A 27 7.323 -4.887 -6.004 1.00 0.00 C ATOM 284 O GLU A 27 7.772 -6.030 -5.920 1.00 0.00 O ATOM 285 CB GLU A 27 8.799 -3.177 -7.079 1.00 0.00 C ATOM 286 CG GLU A 27 9.437 -2.754 -8.392 1.00 0.00 C ATOM 287 CD GLU A 27 10.918 -2.458 -8.252 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.260 -1.365 -7.753 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.735 -3.320 -8.640 1.00 0.00 O ATOM 0 H GLU A 27 6.534 -2.217 -7.382 1.00 0.00 H new ATOM 0 HA GLU A 27 7.703 -4.717 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.533 -2.286 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.533 -3.725 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.296 -3.543 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.927 -1.868 -8.771 1.00 0.00 H new ATOM 296 N TRP A 28 6.623 -4.312 -5.033 1.00 0.00 N ATOM 297 CA TRP A 28 6.334 -5.007 -3.785 1.00 0.00 C ATOM 298 C TRP A 28 5.370 -6.165 -4.016 1.00 0.00 C ATOM 299 O TRP A 28 5.289 -7.088 -3.205 1.00 0.00 O ATOM 300 CB TRP A 28 5.745 -4.035 -2.760 1.00 0.00 C ATOM 301 CG TRP A 28 5.266 -4.708 -1.510 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.029 -5.372 -0.592 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.914 -4.786 -1.042 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.234 -5.857 0.419 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.933 -5.510 0.166 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.692 -4.312 -1.526 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.775 -5.771 0.894 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.544 -4.573 -0.803 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.591 -5.296 0.397 1.00 0.00 C ATOM 0 H TRP A 28 6.245 -3.366 -5.086 1.00 0.00 H new ATOM 0 HA TRP A 28 7.270 -5.410 -3.398 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.499 -3.293 -2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.914 -3.497 -3.216 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.100 -5.498 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.560 -6.389 1.226 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.646 -3.752 -2.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.810 -6.329 1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.594 -4.214 -1.169 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.676 -5.482 0.940 1.00 0.00 H new ATOM 320 N ILE A 29 4.644 -6.112 -5.128 1.00 0.00 N ATOM 321 CA ILE A 29 3.687 -7.158 -5.465 1.00 0.00 C ATOM 322 C ILE A 29 4.306 -8.185 -6.407 1.00 0.00 C ATOM 323 O ILE A 29 3.910 -9.352 -6.419 1.00 0.00 O ATOM 324 CB ILE A 29 2.422 -6.574 -6.121 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.742 -5.583 -5.175 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.463 -7.690 -6.508 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.892 -4.553 -5.886 1.00 0.00 C ATOM 0 H ILE A 29 4.701 -5.356 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 29 3.409 -7.645 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 29 2.712 -6.041 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.118 -6.134 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.505 -5.070 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.574 -7.262 -6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.952 -8.361 -7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.176 -8.248 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.441 -3.884 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.515 -3.976 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.106 -5.056 -6.450 1.00 0.00 H new ATOM 339 N THR A 30 5.282 -7.746 -7.196 1.00 0.00 N ATOM 340 CA THR A 30 5.957 -8.626 -8.140 1.00 0.00 C ATOM 341 C THR A 30 7.135 -9.337 -7.484 1.00 0.00 C ATOM 342 O THR A 30 7.192 -10.567 -7.450 1.00 0.00 O ATOM 343 CB THR A 30 6.461 -7.849 -9.371 1.00 0.00 C ATOM 344 OG1 THR A 30 7.358 -6.811 -8.960 1.00 0.00 O ATOM 345 CG2 THR A 30 5.299 -7.246 -10.144 1.00 0.00 C ATOM 0 H THR A 30 5.622 -6.784 -7.199 1.00 0.00 H new ATOM 0 HA THR A 30 5.224 -9.366 -8.462 1.00 0.00 H new ATOM 0 HB THR A 30 6.987 -8.546 -10.024 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.797 -6.427 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.680 -6.702 -11.008 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.634 -8.041 -10.480 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.749 -6.561 -9.499 1.00 0.00 H new ATOM 353 N THR A 31 8.075 -8.556 -6.961 1.00 0.00 N ATOM 354 CA THR A 31 9.253 -9.111 -6.306 1.00 0.00 C ATOM 355 C THR A 31 8.860 -10.042 -5.165 1.00 0.00 C ATOM 356 O THR A 31 9.387 -11.148 -5.044 1.00 0.00 O ATOM 357 CB THR A 31 10.166 -7.999 -5.755 1.00 0.00 C ATOM 358 OG1 THR A 31 9.558 -7.389 -4.610 1.00 0.00 O ATOM 359 CG2 THR A 31 10.433 -6.943 -6.816 1.00 0.00 C ATOM 0 H THR A 31 8.043 -7.537 -6.978 1.00 0.00 H new ATOM 0 HA THR A 31 9.798 -9.677 -7.062 1.00 0.00 H new ATOM 0 HB THR A 31 11.116 -8.449 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.785 -6.857 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.080 -6.168 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.921 -7.405 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.490 -6.498 -7.132 1.00 0.00 H new ATOM 367 N ILE A 32 7.930 -9.588 -4.330 1.00 0.00 N ATOM 368 CA ILE A 32 7.466 -10.382 -3.199 1.00 0.00 C ATOM 369 C ILE A 32 6.253 -11.224 -3.581 1.00 0.00 C ATOM 370 O ILE A 32 5.284 -10.715 -4.146 1.00 0.00 O ATOM 371 CB ILE A 32 7.102 -9.491 -1.998 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.213 -8.473 -1.735 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.853 -10.344 -0.763 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.545 -9.105 -1.397 1.00 0.00 C ATOM 0 H ILE A 32 7.484 -8.675 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 32 8.287 -11.040 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 32 6.186 -8.948 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.333 -7.842 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.911 -7.821 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.597 -9.700 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.031 -11.033 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.753 -10.911 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.285 -8.324 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.442 -9.713 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.870 -9.734 -2.226 1.00 0.00 H new ATOM 386 N SER A 33 6.312 -12.514 -3.265 1.00 0.00 N ATOM 387 CA SER A 33 5.218 -13.427 -3.576 1.00 0.00 C ATOM 388 C SER A 33 4.452 -13.807 -2.313 1.00 0.00 C ATOM 389 O SER A 33 3.222 -13.779 -2.287 1.00 0.00 O ATOM 390 CB SER A 33 5.756 -14.686 -4.259 1.00 0.00 C ATOM 391 OG SER A 33 6.727 -14.360 -5.238 1.00 0.00 O ATOM 0 H SER A 33 7.105 -12.950 -2.794 1.00 0.00 H new ATOM 0 HA SER A 33 4.534 -12.918 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.195 -15.349 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.934 -15.230 -4.724 1.00 0.00 H new ATOM 0 HG SER A 33 7.056 -15.182 -5.658 1.00 0.00 H new ATOM 397 N ASP A 34 5.189 -14.164 -1.266 1.00 0.00 N ATOM 398 CA ASP A 34 4.581 -14.550 0.001 1.00 0.00 C ATOM 399 C ASP A 34 5.061 -13.645 1.132 1.00 0.00 C ATOM 400 O ASP A 34 5.860 -14.042 1.981 1.00 0.00 O ATOM 401 CB ASP A 34 4.907 -16.009 0.325 1.00 0.00 C ATOM 402 CG ASP A 34 3.896 -16.633 1.268 1.00 0.00 C ATOM 403 OD1 ASP A 34 3.871 -16.241 2.454 1.00 0.00 O ATOM 404 OD2 ASP A 34 3.131 -17.511 0.819 1.00 0.00 O ATOM 0 H ASP A 34 6.209 -14.194 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 34 3.501 -14.440 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.940 -16.585 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.900 -16.066 0.772 1.00 0.00 H new ATOM 409 N PRO A 35 4.564 -12.400 1.145 1.00 0.00 N ATOM 410 CA PRO A 35 4.930 -11.413 2.166 1.00 0.00 C ATOM 411 C PRO A 35 4.361 -11.759 3.538 1.00 0.00 C ATOM 412 O PRO A 35 3.460 -12.590 3.654 1.00 0.00 O ATOM 413 CB PRO A 35 4.310 -10.115 1.642 1.00 0.00 C ATOM 414 CG PRO A 35 3.176 -10.557 0.781 1.00 0.00 C ATOM 415 CD PRO A 35 3.608 -11.859 0.165 1.00 0.00 C ATOM 0 HA PRO A 35 6.009 -11.358 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.963 -9.484 2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.034 -9.531 1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.267 -10.686 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.957 -9.815 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.764 -12.532 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.073 -11.708 -0.809 1.00 0.00 H new ATOM 423 N MET A 36 4.892 -11.117 4.573 1.00 0.00 N ATOM 424 CA MET A 36 4.435 -11.357 5.936 1.00 0.00 C ATOM 425 C MET A 36 3.448 -10.280 6.377 1.00 0.00 C ATOM 426 O MET A 36 3.238 -9.293 5.672 1.00 0.00 O ATOM 427 CB MET A 36 5.625 -11.399 6.896 1.00 0.00 C ATOM 428 CG MET A 36 6.679 -12.425 6.514 1.00 0.00 C ATOM 429 SD MET A 36 7.984 -12.574 7.749 1.00 0.00 S ATOM 430 CE MET A 36 7.034 -13.061 9.188 1.00 0.00 C ATOM 0 H MET A 36 5.639 -10.427 4.494 1.00 0.00 H new ATOM 0 HA MET A 36 3.926 -12.321 5.957 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.087 -10.412 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.263 -11.619 7.900 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.202 -13.396 6.376 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.120 -12.148 5.557 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.684 -13.576 9.896 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.612 -12.175 9.662 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.228 -13.729 8.883 1.00 0.00 H new ATOM 440 N GLU A 37 2.846 -10.476 7.546 1.00 0.00 N ATOM 441 CA GLU A 37 1.881 -9.522 8.078 1.00 0.00 C ATOM 442 C GLU A 37 2.462 -8.110 8.091 1.00 0.00 C ATOM 443 O GLU A 37 1.791 -7.149 7.720 1.00 0.00 O ATOM 444 CB GLU A 37 1.459 -9.924 9.492 1.00 0.00 C ATOM 445 CG GLU A 37 2.626 -10.106 10.448 1.00 0.00 C ATOM 446 CD GLU A 37 2.264 -10.944 11.658 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.082 -10.930 12.058 1.00 0.00 O ATOM 448 OE2 GLU A 37 3.164 -11.615 12.206 1.00 0.00 O ATOM 0 H GLU A 37 3.010 -11.287 8.142 1.00 0.00 H new ATOM 0 HA GLU A 37 1.005 -9.530 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.788 -9.163 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.893 -10.854 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.454 -10.578 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.975 -9.128 10.779 1.00 0.00 H new ATOM 455 N GLU A 38 3.716 -7.997 8.520 1.00 0.00 N ATOM 456 CA GLU A 38 4.388 -6.704 8.583 1.00 0.00 C ATOM 457 C GLU A 38 4.297 -5.979 7.243 1.00 0.00 C ATOM 458 O GLU A 38 4.169 -4.756 7.195 1.00 0.00 O ATOM 459 CB GLU A 38 5.854 -6.885 8.980 1.00 0.00 C ATOM 460 CG GLU A 38 6.663 -7.684 7.971 1.00 0.00 C ATOM 461 CD GLU A 38 7.856 -8.378 8.600 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.345 -7.893 9.641 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.300 -9.407 8.050 1.00 0.00 O ATOM 0 H GLU A 38 4.286 -8.784 8.829 1.00 0.00 H new ATOM 0 HA GLU A 38 3.888 -6.099 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.312 -5.904 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.901 -7.384 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.019 -8.429 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.009 -7.019 7.180 1.00 0.00 H new ATOM 470 N ASP A 39 4.366 -6.743 6.158 1.00 0.00 N ATOM 471 CA ASP A 39 4.292 -6.174 4.817 1.00 0.00 C ATOM 472 C ASP A 39 2.954 -5.473 4.598 1.00 0.00 C ATOM 473 O ASP A 39 2.907 -4.344 4.108 1.00 0.00 O ATOM 474 CB ASP A 39 4.489 -7.266 3.765 1.00 0.00 C ATOM 475 CG ASP A 39 5.799 -8.008 3.939 1.00 0.00 C ATOM 476 OD1 ASP A 39 5.989 -8.634 5.003 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.635 -7.963 3.012 1.00 0.00 O ATOM 0 H ASP A 39 4.473 -7.757 6.181 1.00 0.00 H new ATOM 0 HA ASP A 39 5.089 -5.437 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.663 -7.975 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.457 -6.819 2.771 1.00 0.00 H new ATOM 482 N ILE A 40 1.871 -6.150 4.962 1.00 0.00 N ATOM 483 CA ILE A 40 0.533 -5.593 4.804 1.00 0.00 C ATOM 484 C ILE A 40 0.319 -4.407 5.737 1.00 0.00 C ATOM 485 O ILE A 40 -0.398 -3.462 5.405 1.00 0.00 O ATOM 486 CB ILE A 40 -0.553 -6.651 5.077 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.439 -7.801 4.075 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.936 -6.018 5.010 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.347 -8.982 4.600 1.00 0.00 C ATOM 0 H ILE A 40 1.893 -7.085 5.368 1.00 0.00 H new ATOM 0 HA ILE A 40 0.450 -5.258 3.770 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.405 -7.052 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.440 -8.134 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.036 -7.434 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.693 -6.777 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.012 -5.229 5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.094 -5.594 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.388 -9.760 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.360 -8.664 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.139 -9.374 5.493 1.00 0.00 H new ATOM 501 N LEU A 41 0.945 -4.460 6.907 1.00 0.00 N ATOM 502 CA LEU A 41 0.826 -3.390 7.891 1.00 0.00 C ATOM 503 C LEU A 41 1.594 -2.151 7.442 1.00 0.00 C ATOM 504 O LEU A 41 1.229 -1.027 7.783 1.00 0.00 O ATOM 505 CB LEU A 41 1.343 -3.859 9.252 1.00 0.00 C ATOM 506 CG LEU A 41 0.568 -5.005 9.904 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.103 -5.283 11.300 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.919 -4.682 9.955 1.00 0.00 C ATOM 0 H LEU A 41 1.542 -5.234 7.198 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.229 -3.130 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.382 -4.168 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.337 -3.008 9.934 1.00 0.00 H new ATOM 0 HG LEU A 41 0.704 -5.902 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.540 -6.101 11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.156 -5.558 11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.997 -4.389 11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.455 -5.508 10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.074 -3.774 10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.294 -4.533 8.942 1.00 0.00 H new ATOM 520 N GLN A 42 2.658 -2.365 6.675 1.00 0.00 N ATOM 521 CA GLN A 42 3.476 -1.266 6.178 1.00 0.00 C ATOM 522 C GLN A 42 2.731 -0.473 5.109 1.00 0.00 C ATOM 523 O GLN A 42 2.681 0.756 5.156 1.00 0.00 O ATOM 524 CB GLN A 42 4.794 -1.797 5.612 1.00 0.00 C ATOM 525 CG GLN A 42 5.844 -2.077 6.674 1.00 0.00 C ATOM 526 CD GLN A 42 6.123 -0.872 7.551 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.210 -0.986 8.774 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.266 0.292 6.928 1.00 0.00 N ATOM 0 H GLN A 42 2.974 -3.290 6.384 1.00 0.00 H new ATOM 0 HA GLN A 42 3.691 -0.600 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.598 -2.714 5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.192 -1.073 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.512 -2.907 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.769 -2.392 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.186 0.340 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.456 1.138 7.465 1.00 0.00 H new ATOM 537 N VAL A 43 2.156 -1.185 4.145 1.00 0.00 N ATOM 538 CA VAL A 43 1.414 -0.547 3.064 1.00 0.00 C ATOM 539 C VAL A 43 0.192 0.193 3.597 1.00 0.00 C ATOM 540 O VAL A 43 -0.183 1.245 3.082 1.00 0.00 O ATOM 541 CB VAL A 43 0.958 -1.578 2.013 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.158 -2.155 1.277 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.142 -2.682 2.668 1.00 0.00 C ATOM 0 H VAL A 43 2.190 -2.203 4.091 1.00 0.00 H new ATOM 0 HA VAL A 43 2.090 0.167 2.594 1.00 0.00 H new ATOM 0 HB VAL A 43 0.323 -1.073 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.817 -2.881 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.697 -1.352 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.821 -2.646 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.171 -3.401 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.750 -3.187 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.738 -2.250 3.145 1.00 0.00 H new ATOM 553 N VAL A 44 -0.426 -0.366 4.633 1.00 0.00 N ATOM 554 CA VAL A 44 -1.604 0.241 5.239 1.00 0.00 C ATOM 555 C VAL A 44 -1.226 1.445 6.094 1.00 0.00 C ATOM 556 O VAL A 44 -2.037 2.344 6.313 1.00 0.00 O ATOM 557 CB VAL A 44 -2.373 -0.771 6.110 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.540 -0.093 6.813 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.854 -1.942 5.266 1.00 0.00 C ATOM 0 H VAL A 44 -0.130 -1.239 5.070 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.246 0.568 4.421 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.696 -1.157 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.071 -0.823 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.165 0.708 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.221 0.322 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.395 -2.647 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.515 -1.577 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.997 -2.442 4.815 1.00 0.00 H new ATOM 569 N ARG A 45 0.014 1.457 6.572 1.00 0.00 N ATOM 570 CA ARG A 45 0.501 2.551 7.404 1.00 0.00 C ATOM 571 C ARG A 45 0.644 3.833 6.588 1.00 0.00 C ATOM 572 O ARG A 45 0.247 4.910 7.031 1.00 0.00 O ATOM 573 CB ARG A 45 1.846 2.182 8.032 1.00 0.00 C ATOM 574 CG ARG A 45 1.725 1.586 9.425 1.00 0.00 C ATOM 575 CD ARG A 45 1.324 2.636 10.449 1.00 0.00 C ATOM 576 NE ARG A 45 1.451 2.144 11.818 1.00 0.00 N ATOM 577 CZ ARG A 45 0.618 1.266 12.364 1.00 0.00 C ATOM 578 NH1 ARG A 45 -0.399 0.787 11.660 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.799 0.866 13.615 1.00 0.00 N ATOM 0 H ARG A 45 0.699 0.722 6.398 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.228 2.724 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.356 1.469 7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.471 3.073 8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.986 0.785 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.676 1.139 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.947 3.521 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.294 2.943 10.269 1.00 0.00 H new ATOM 0 HE ARG A 45 2.222 2.494 12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.542 1.093 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.038 0.113 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.579 1.233 14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.158 0.191 14.033 1.00 0.00 H new ATOM 593 N TYR A 46 1.212 3.707 5.394 1.00 0.00 N ATOM 594 CA TYR A 46 1.410 4.855 4.517 1.00 0.00 C ATOM 595 C TYR A 46 0.073 5.462 4.105 1.00 0.00 C ATOM 596 O TYR A 46 -0.134 6.671 4.218 1.00 0.00 O ATOM 597 CB TYR A 46 2.200 4.443 3.273 1.00 0.00 C ATOM 598 CG TYR A 46 2.226 5.502 2.195 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.757 6.761 2.443 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.718 5.243 0.927 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.783 7.732 1.460 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.740 6.208 -0.061 1.00 0.00 C ATOM 603 CZ TYR A 46 2.273 7.450 0.210 1.00 0.00 C ATOM 604 OH TYR A 46 2.297 8.415 -0.772 1.00 0.00 O ATOM 0 H TYR A 46 1.543 2.822 5.011 1.00 0.00 H new ATOM 0 HA TYR A 46 1.976 5.607 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.224 4.208 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.767 3.530 2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.157 6.985 3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.299 4.271 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.200 8.706 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.342 5.991 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 46 3.219 8.549 -1.077 1.00 0.00 H new ATOM 614 N CYS A 47 -0.833 4.615 3.628 1.00 0.00 N ATOM 615 CA CYS A 47 -2.151 5.068 3.199 1.00 0.00 C ATOM 616 C CYS A 47 -2.836 5.869 4.302 1.00 0.00 C ATOM 617 O CYS A 47 -3.439 6.912 4.044 1.00 0.00 O ATOM 618 CB CYS A 47 -3.020 3.872 2.806 1.00 0.00 C ATOM 619 SG CYS A 47 -4.735 4.300 2.424 1.00 0.00 S ATOM 0 H CYS A 47 -0.679 3.612 3.529 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.022 5.715 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.577 3.384 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.010 3.146 3.619 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.205 3.466 1.545 1.00 0.00 H new ATOM 625 N THR A 48 -2.742 5.374 5.532 1.00 0.00 N ATOM 626 CA THR A 48 -3.355 6.041 6.673 1.00 0.00 C ATOM 627 C THR A 48 -2.664 7.367 6.971 1.00 0.00 C ATOM 628 O THR A 48 -3.320 8.367 7.263 1.00 0.00 O ATOM 629 CB THR A 48 -3.308 5.157 7.934 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.867 3.870 7.649 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.070 5.804 9.079 1.00 0.00 C ATOM 0 H THR A 48 -2.247 4.513 5.763 1.00 0.00 H new ATOM 0 HA THR A 48 -4.396 6.227 6.408 1.00 0.00 H new ATOM 0 HB THR A 48 -2.266 5.043 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.208 3.326 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.022 5.161 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.624 6.771 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.111 5.945 8.789 1.00 0.00 H new ATOM 639 N ASP A 49 -1.338 7.369 6.894 1.00 0.00 N ATOM 640 CA ASP A 49 -0.558 8.573 7.154 1.00 0.00 C ATOM 641 C ASP A 49 -1.060 9.738 6.307 1.00 0.00 C ATOM 642 O ASP A 49 -0.996 10.896 6.725 1.00 0.00 O ATOM 643 CB ASP A 49 0.922 8.319 6.867 1.00 0.00 C ATOM 644 CG ASP A 49 1.830 9.257 7.637 1.00 0.00 C ATOM 645 OD1 ASP A 49 2.033 9.026 8.848 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.339 10.223 7.031 1.00 0.00 O ATOM 0 H ASP A 49 -0.780 6.550 6.653 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.677 8.833 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.167 7.288 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.107 8.434 5.799 1.00 0.00 H new ATOM 651 N LEU A 50 -1.559 9.427 5.117 1.00 0.00 N ATOM 652 CA LEU A 50 -2.072 10.448 4.210 1.00 0.00 C ATOM 653 C LEU A 50 -3.341 11.084 4.769 1.00 0.00 C ATOM 654 O LEU A 50 -3.454 12.309 4.835 1.00 0.00 O ATOM 655 CB LEU A 50 -2.355 9.841 2.835 1.00 0.00 C ATOM 656 CG LEU A 50 -1.135 9.593 1.947 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.407 8.455 0.974 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.756 10.861 1.195 1.00 0.00 C ATOM 0 H LEU A 50 -1.620 8.475 4.757 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.313 11.224 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.874 8.893 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.039 10.502 2.302 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.297 9.308 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.528 8.292 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.630 7.545 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.258 8.711 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.114 10.666 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.591 11.176 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.519 11.650 1.909 1.00 0.00 H new ATOM 670 N ILE A 51 -4.289 10.246 5.172 1.00 0.00 N ATOM 671 CA ILE A 51 -5.547 10.727 5.728 1.00 0.00 C ATOM 672 C ILE A 51 -5.308 11.600 6.956 1.00 0.00 C ATOM 673 O ILE A 51 -6.126 12.454 7.291 1.00 0.00 O ATOM 674 CB ILE A 51 -6.475 9.561 6.114 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.780 8.696 4.890 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.762 10.088 6.731 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.054 7.247 5.226 1.00 0.00 C ATOM 0 H ILE A 51 -4.210 9.230 5.124 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.028 11.321 4.951 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.967 8.943 6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.644 9.109 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.938 8.747 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.407 9.251 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.527 10.665 7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.275 10.726 6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.262 6.694 4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.182 6.817 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.915 7.184 5.891 1.00 0.00 H new ATOM 689 N GLU A 52 -4.178 11.379 7.621 1.00 0.00 N ATOM 690 CA GLU A 52 -3.831 12.146 8.812 1.00 0.00 C ATOM 691 C GLU A 52 -3.494 13.589 8.449 1.00 0.00 C ATOM 692 O GLU A 52 -3.660 14.498 9.262 1.00 0.00 O ATOM 693 CB GLU A 52 -2.645 11.500 9.533 1.00 0.00 C ATOM 694 CG GLU A 52 -2.960 10.133 10.118 1.00 0.00 C ATOM 695 CD GLU A 52 -2.102 9.803 11.324 1.00 0.00 C ATOM 696 OE1 GLU A 52 -0.865 9.948 11.228 1.00 0.00 O ATOM 697 OE2 GLU A 52 -2.666 9.400 12.363 1.00 0.00 O ATOM 0 H GLU A 52 -3.488 10.676 7.356 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.695 12.148 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.814 11.404 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.313 12.161 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.011 10.098 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.812 9.371 9.352 1.00 0.00 H new ATOM 704 N GLU A 53 -3.021 13.791 7.223 1.00 0.00 N ATOM 705 CA GLU A 53 -2.660 15.123 6.754 1.00 0.00 C ATOM 706 C GLU A 53 -3.657 15.621 5.711 1.00 0.00 C ATOM 707 O GLU A 53 -3.414 16.617 5.029 1.00 0.00 O ATOM 708 CB GLU A 53 -1.249 15.115 6.164 1.00 0.00 C ATOM 709 CG GLU A 53 -1.009 13.986 5.176 1.00 0.00 C ATOM 710 CD GLU A 53 0.357 14.066 4.521 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.075 15.059 4.764 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.707 13.136 3.764 1.00 0.00 O ATOM 0 H GLU A 53 -2.879 13.049 6.537 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.685 15.800 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.067 16.067 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.525 15.036 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.106 13.030 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.780 14.012 4.406 1.00 0.00 H new ATOM 719 N LYS A 54 -4.780 14.921 5.594 1.00 0.00 N ATOM 720 CA LYS A 54 -5.815 15.290 4.635 1.00 0.00 C ATOM 721 C LYS A 54 -5.299 15.173 3.204 1.00 0.00 C ATOM 722 O LYS A 54 -5.906 15.699 2.271 1.00 0.00 O ATOM 723 CB LYS A 54 -6.298 16.718 4.899 1.00 0.00 C ATOM 724 CG LYS A 54 -6.526 17.021 6.370 1.00 0.00 C ATOM 725 CD LYS A 54 -7.886 17.656 6.605 1.00 0.00 C ATOM 726 CE LYS A 54 -7.871 19.141 6.278 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.683 19.931 7.245 1.00 0.00 N ATOM 0 H LYS A 54 -4.997 14.095 6.151 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.651 14.601 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.565 17.420 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.227 16.885 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.449 16.100 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.744 17.690 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.634 17.155 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.180 17.514 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.843 19.504 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.256 19.295 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.647 20.938 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.669 19.602 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.300 19.805 8.204 1.00 0.00 H new ATOM 741 N ASP A 55 -4.176 14.482 3.040 1.00 0.00 N ATOM 742 CA ASP A 55 -3.580 14.295 1.722 1.00 0.00 C ATOM 743 C ASP A 55 -3.974 12.943 1.135 1.00 0.00 C ATOM 744 O ASP A 55 -3.224 12.349 0.359 1.00 0.00 O ATOM 745 CB ASP A 55 -2.057 14.403 1.808 1.00 0.00 C ATOM 746 CG ASP A 55 -1.603 15.738 2.365 1.00 0.00 C ATOM 747 OD1 ASP A 55 -2.467 16.605 2.608 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.381 15.916 2.556 1.00 0.00 O ATOM 0 H ASP A 55 -3.660 14.042 3.803 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.956 15.080 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.674 13.600 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.629 14.262 0.816 1.00 0.00 H new ATOM 753 N LEU A 56 -5.155 12.462 1.510 1.00 0.00 N ATOM 754 CA LEU A 56 -5.647 11.179 1.022 1.00 0.00 C ATOM 755 C LEU A 56 -6.054 11.275 -0.446 1.00 0.00 C ATOM 756 O LEU A 56 -6.341 10.265 -1.087 1.00 0.00 O ATOM 757 CB LEU A 56 -6.838 10.715 1.863 1.00 0.00 C ATOM 758 CG LEU A 56 -7.800 11.808 2.327 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.234 12.670 1.152 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.010 11.196 3.017 1.00 0.00 C ATOM 0 H LEU A 56 -5.789 12.941 2.150 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.841 10.451 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.403 9.984 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.456 10.198 2.743 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.280 12.442 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.919 13.443 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.359 13.137 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.736 12.048 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.684 11.989 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.531 10.538 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.683 10.622 3.884 1.00 0.00 H new ATOM 772 N GLU A 57 -6.075 12.497 -0.970 1.00 0.00 N ATOM 773 CA GLU A 57 -6.446 12.723 -2.361 1.00 0.00 C ATOM 774 C GLU A 57 -5.538 11.935 -3.301 1.00 0.00 C ATOM 775 O GLU A 57 -5.997 11.354 -4.285 1.00 0.00 O ATOM 776 CB GLU A 57 -6.373 14.215 -2.696 1.00 0.00 C ATOM 777 CG GLU A 57 -7.547 15.016 -2.160 1.00 0.00 C ATOM 778 CD GLU A 57 -8.689 15.112 -3.154 1.00 0.00 C ATOM 779 OE1 GLU A 57 -8.460 15.607 -4.277 1.00 0.00 O ATOM 780 OE2 GLU A 57 -9.813 14.690 -2.807 1.00 0.00 O ATOM 0 H GLU A 57 -5.840 13.344 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.470 12.377 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.448 14.625 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.326 14.334 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.908 14.554 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.210 16.020 -1.901 1.00 0.00 H new ATOM 787 N LYS A 58 -4.246 11.920 -2.992 1.00 0.00 N ATOM 788 CA LYS A 58 -3.272 11.204 -3.806 1.00 0.00 C ATOM 789 C LYS A 58 -3.437 9.695 -3.651 1.00 0.00 C ATOM 790 O LYS A 58 -3.245 8.939 -4.604 1.00 0.00 O ATOM 791 CB LYS A 58 -1.850 11.615 -3.415 1.00 0.00 C ATOM 792 CG LYS A 58 -1.057 12.222 -4.560 1.00 0.00 C ATOM 793 CD LYS A 58 -1.492 13.650 -4.845 1.00 0.00 C ATOM 794 CE LYS A 58 -0.738 14.646 -3.976 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.946 16.048 -4.433 1.00 0.00 N ATOM 0 H LYS A 58 -3.849 12.397 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.446 11.465 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.900 12.334 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.318 10.741 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.005 12.206 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.188 11.615 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.321 13.881 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.563 13.748 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.068 14.548 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.326 14.412 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.416 16.696 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.608 16.148 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.959 16.280 -4.391 1.00 0.00 H new ATOM 809 N LEU A 59 -3.793 9.265 -2.446 1.00 0.00 N ATOM 810 CA LEU A 59 -3.986 7.846 -2.167 1.00 0.00 C ATOM 811 C LEU A 59 -5.198 7.303 -2.917 1.00 0.00 C ATOM 812 O LEU A 59 -5.255 6.119 -3.251 1.00 0.00 O ATOM 813 CB LEU A 59 -4.159 7.621 -0.664 1.00 0.00 C ATOM 814 CG LEU A 59 -5.582 7.325 -0.189 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.905 5.848 -0.357 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.759 7.749 1.261 1.00 0.00 C ATOM 0 H LEU A 59 -3.954 9.878 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.101 7.310 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.518 6.792 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.800 8.507 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.276 7.900 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.922 5.657 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.819 5.574 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.206 5.253 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.778 7.531 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.056 7.202 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.571 8.819 1.353 1.00 0.00 H new ATOM 828 N ASP A 60 -6.164 8.176 -3.181 1.00 0.00 N ATOM 829 CA ASP A 60 -7.374 7.785 -3.894 1.00 0.00 C ATOM 830 C ASP A 60 -7.029 7.057 -5.190 1.00 0.00 C ATOM 831 O ASP A 60 -7.696 6.093 -5.569 1.00 0.00 O ATOM 832 CB ASP A 60 -8.231 9.015 -4.200 1.00 0.00 C ATOM 833 CG ASP A 60 -9.423 8.687 -5.077 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.898 7.532 -5.027 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.881 9.583 -5.815 1.00 0.00 O ATOM 0 H ASP A 60 -6.132 9.159 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.939 7.107 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.581 9.452 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.617 9.768 -4.694 1.00 0.00 H new ATOM 840 N LEU A 61 -5.985 7.524 -5.866 1.00 0.00 N ATOM 841 CA LEU A 61 -5.552 6.917 -7.119 1.00 0.00 C ATOM 842 C LEU A 61 -4.791 5.621 -6.863 1.00 0.00 C ATOM 843 O LEU A 61 -4.836 4.692 -7.671 1.00 0.00 O ATOM 844 CB LEU A 61 -4.671 7.893 -7.902 1.00 0.00 C ATOM 845 CG LEU A 61 -5.165 9.338 -7.970 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.090 10.243 -8.551 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.442 9.428 -8.792 1.00 0.00 C ATOM 0 H LEU A 61 -5.423 8.321 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.440 6.684 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.676 7.891 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.565 7.518 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.385 9.674 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.460 11.268 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.201 10.203 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.837 9.908 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.779 10.464 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.249 9.073 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.215 8.812 -8.332 1.00 0.00 H new ATOM 859 N VAL A 62 -4.095 5.563 -5.733 1.00 0.00 N ATOM 860 CA VAL A 62 -3.327 4.378 -5.368 1.00 0.00 C ATOM 861 C VAL A 62 -4.224 3.149 -5.274 1.00 0.00 C ATOM 862 O VAL A 62 -3.855 2.063 -5.725 1.00 0.00 O ATOM 863 CB VAL A 62 -2.599 4.572 -4.024 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.841 3.312 -3.641 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.662 5.769 -4.095 1.00 0.00 C ATOM 0 H VAL A 62 -4.047 6.323 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.588 4.226 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.343 4.767 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.333 3.468 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.540 2.481 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.105 3.082 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.156 5.892 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.922 5.606 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.236 6.668 -4.320 1.00 0.00 H new ATOM 875 N ILE A 63 -5.402 3.327 -4.688 1.00 0.00 N ATOM 876 CA ILE A 63 -6.354 2.232 -4.537 1.00 0.00 C ATOM 877 C ILE A 63 -6.670 1.591 -5.884 1.00 0.00 C ATOM 878 O ILE A 63 -6.927 0.389 -5.966 1.00 0.00 O ATOM 879 CB ILE A 63 -7.665 2.712 -3.887 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.373 3.431 -2.569 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.603 1.536 -3.660 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.621 2.579 -1.570 1.00 0.00 C ATOM 0 H ILE A 63 -5.721 4.219 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.887 1.493 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.152 3.416 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.794 4.331 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.314 3.753 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.526 1.890 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.832 1.063 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.125 0.811 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.448 3.153 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.208 1.691 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.664 2.278 -1.996 1.00 0.00 H new ATOM 894 N LYS A 64 -6.651 2.399 -6.938 1.00 0.00 N ATOM 895 CA LYS A 64 -6.933 1.911 -8.282 1.00 0.00 C ATOM 896 C LYS A 64 -5.775 1.072 -8.811 1.00 0.00 C ATOM 897 O LYS A 64 -5.970 0.174 -9.631 1.00 0.00 O ATOM 898 CB LYS A 64 -7.199 3.085 -9.228 1.00 0.00 C ATOM 899 CG LYS A 64 -8.171 4.109 -8.667 1.00 0.00 C ATOM 900 CD LYS A 64 -9.571 3.533 -8.531 1.00 0.00 C ATOM 901 CE LYS A 64 -10.229 3.341 -9.889 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.557 2.678 -9.773 1.00 0.00 N ATOM 0 H LYS A 64 -6.443 3.396 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.822 1.282 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.254 3.579 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.592 2.701 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.820 4.449 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.198 4.982 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.523 2.577 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.182 4.198 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.348 4.309 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.578 2.742 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.973 2.565 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.441 1.743 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.186 3.262 -9.186 1.00 0.00 H new ATOM 916 N TYR A 65 -4.570 1.368 -8.336 1.00 0.00 N ATOM 917 CA TYR A 65 -3.380 0.641 -8.761 1.00 0.00 C ATOM 918 C TYR A 65 -3.238 -0.670 -7.992 1.00 0.00 C ATOM 919 O TYR A 65 -2.787 -1.676 -8.537 1.00 0.00 O ATOM 920 CB TYR A 65 -2.132 1.501 -8.560 1.00 0.00 C ATOM 921 CG TYR A 65 -1.022 1.198 -9.541 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.250 1.233 -10.910 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.255 0.876 -9.097 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.238 0.955 -11.810 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.272 0.597 -9.989 1.00 0.00 C ATOM 926 CZ TYR A 65 1.020 0.638 -11.345 1.00 0.00 C ATOM 927 OH TYR A 65 2.031 0.362 -12.238 1.00 0.00 O ATOM 0 H TYR A 65 -4.392 2.107 -7.656 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.486 0.410 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.407 2.552 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.759 1.354 -7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.234 1.482 -11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.456 0.843 -8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.432 0.986 -12.872 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.259 0.348 -9.627 1.00 0.00 H new ATOM 0 HH TYR A 65 2.855 0.159 -11.747 1.00 0.00 H new ATOM 937 N MET A 66 -3.628 -0.648 -6.722 1.00 0.00 N ATOM 938 CA MET A 66 -3.546 -1.834 -5.878 1.00 0.00 C ATOM 939 C MET A 66 -4.641 -2.833 -6.236 1.00 0.00 C ATOM 940 O MET A 66 -4.444 -4.045 -6.147 1.00 0.00 O ATOM 941 CB MET A 66 -3.658 -1.444 -4.402 1.00 0.00 C ATOM 942 CG MET A 66 -2.458 -1.869 -3.570 1.00 0.00 C ATOM 943 SD MET A 66 -2.712 -1.607 -1.804 1.00 0.00 S ATOM 944 CE MET A 66 -3.139 0.132 -1.776 1.00 0.00 C ATOM 0 H MET A 66 -4.004 0.177 -6.255 1.00 0.00 H new ATOM 0 HA MET A 66 -2.578 -2.306 -6.050 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.777 -0.363 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.558 -1.893 -3.983 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.250 -2.924 -3.751 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.580 -1.311 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.152 0.487 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.401 0.697 -2.345 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.125 0.272 -2.220 1.00 0.00 H new ATOM 954 N LYS A 67 -5.797 -2.317 -6.640 1.00 0.00 N ATOM 955 CA LYS A 67 -6.925 -3.162 -7.013 1.00 0.00 C ATOM 956 C LYS A 67 -6.707 -3.784 -8.389 1.00 0.00 C ATOM 957 O LYS A 67 -7.104 -4.923 -8.636 1.00 0.00 O ATOM 958 CB LYS A 67 -8.222 -2.351 -7.008 1.00 0.00 C ATOM 959 CG LYS A 67 -8.323 -1.358 -8.154 1.00 0.00 C ATOM 960 CD LYS A 67 -9.619 -0.567 -8.094 1.00 0.00 C ATOM 961 CE LYS A 67 -10.814 -1.427 -8.476 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.818 -1.758 -9.927 1.00 0.00 N ATOM 0 H LYS A 67 -5.977 -1.316 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.003 -3.964 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.069 -3.036 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.300 -1.812 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.476 -0.673 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.264 -1.890 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.760 -0.173 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.556 0.289 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.799 -2.348 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.735 -0.903 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.750 -2.134 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.619 -0.900 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.087 -2.472 -10.122 1.00 0.00 H new ATOM 976 N ARG A 68 -6.073 -3.030 -9.280 1.00 0.00 N ATOM 977 CA ARG A 68 -5.803 -3.508 -10.631 1.00 0.00 C ATOM 978 C ARG A 68 -4.580 -4.419 -10.651 1.00 0.00 C ATOM 979 O ARG A 68 -4.424 -5.248 -11.548 1.00 0.00 O ATOM 980 CB ARG A 68 -5.587 -2.326 -11.579 1.00 0.00 C ATOM 981 CG ARG A 68 -4.226 -1.666 -11.429 1.00 0.00 C ATOM 982 CD ARG A 68 -4.114 -0.419 -12.292 1.00 0.00 C ATOM 983 NE ARG A 68 -4.442 -0.689 -13.688 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.672 0.262 -14.586 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.610 1.539 -14.235 1.00 0.00 N ATOM 986 NH2 ARG A 68 -4.965 -0.063 -15.840 1.00 0.00 N ATOM 0 H ARG A 68 -5.737 -2.086 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.667 -4.081 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.704 -2.670 -12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.364 -1.582 -11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.061 -1.403 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.445 -2.373 -11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.782 0.351 -11.905 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.100 -0.023 -12.228 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.498 -1.661 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.385 1.793 -13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.787 2.267 -14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.014 -1.044 -16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.141 0.669 -16.529 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.716 -4.261 -9.654 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.505 -5.070 -9.557 1.00 0.00 C ATOM 1002 C LEU A 69 -2.796 -6.407 -8.882 1.00 0.00 C ATOM 1003 O LEU A 69 -2.390 -7.461 -9.370 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.425 -4.317 -8.777 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.546 -3.370 -9.593 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.357 -2.557 -8.678 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.281 -4.150 -10.606 1.00 0.00 C ATOM 0 H LEU A 69 -3.831 -3.581 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.146 -5.264 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.909 -3.742 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.781 -5.048 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.194 -2.681 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.975 -1.889 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.254 -1.969 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.997 -3.230 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.901 -3.460 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.919 -4.863 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.384 -4.687 -11.283 1.00 0.00 H new ATOM 1019 N MET A 70 -3.504 -6.354 -7.758 1.00 0.00 N ATOM 1020 CA MET A 70 -3.853 -7.562 -7.018 1.00 0.00 C ATOM 1021 C MET A 70 -4.845 -8.413 -7.803 1.00 0.00 C ATOM 1022 O MET A 70 -4.912 -9.629 -7.623 1.00 0.00 O ATOM 1023 CB MET A 70 -4.442 -7.198 -5.654 1.00 0.00 C ATOM 1024 CG MET A 70 -3.402 -7.087 -4.552 1.00 0.00 C ATOM 1025 SD MET A 70 -3.564 -5.567 -3.594 1.00 0.00 S ATOM 1026 CE MET A 70 -1.956 -5.490 -2.808 1.00 0.00 C ATOM 0 H MET A 70 -3.847 -5.489 -7.340 1.00 0.00 H new ATOM 0 HA MET A 70 -2.943 -8.142 -6.869 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.973 -6.250 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.178 -7.951 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.493 -7.944 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.406 -7.130 -4.992 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.760 -4.469 -2.480 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.940 -6.158 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.188 -5.796 -3.519 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.614 -7.766 -8.674 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.604 -8.466 -9.485 1.00 0.00 C ATOM 1038 C GLN A 71 -5.928 -9.293 -10.573 1.00 0.00 C ATOM 1039 O GLN A 71 -6.236 -10.472 -10.749 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.574 -7.466 -10.116 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.804 -7.191 -9.265 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.855 -8.278 -9.390 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.655 -9.405 -8.935 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.981 -7.945 -10.009 1.00 0.00 N ATOM 0 H GLN A 71 -5.571 -6.760 -8.836 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.161 -9.141 -8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.049 -6.528 -10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.892 -7.844 -11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.505 -7.098 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.238 -6.235 -9.559 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.104 -6.999 -10.370 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.723 -8.635 -10.123 1.00 0.00 H new ATOM 1053 N GLN A 72 -5.007 -8.669 -11.299 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.290 -9.349 -12.371 1.00 0.00 C ATOM 1055 C GLN A 72 -3.467 -10.509 -11.824 1.00 0.00 C ATOM 1056 O GLN A 72 -3.165 -11.463 -12.541 1.00 0.00 O ATOM 1057 CB GLN A 72 -3.380 -8.365 -13.109 1.00 0.00 C ATOM 1058 CG GLN A 72 -2.265 -7.802 -12.243 1.00 0.00 C ATOM 1059 CD GLN A 72 -1.133 -7.211 -13.061 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.198 -7.913 -13.447 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -1.212 -5.913 -13.330 1.00 0.00 N ATOM 0 H GLN A 72 -4.740 -7.694 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.025 -9.747 -13.070 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.941 -8.866 -13.972 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.983 -7.541 -13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.673 -7.034 -11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.872 -8.593 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.005 -5.369 -12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.480 -5.460 -13.877 1.00 0.00 H new ATOM 1070 N SER A 73 -3.104 -10.422 -10.548 1.00 0.00 N ATOM 1071 CA SER A 73 -2.311 -11.463 -9.906 1.00 0.00 C ATOM 1072 C SER A 73 -3.146 -12.718 -9.675 1.00 0.00 C ATOM 1073 O SER A 73 -4.373 -12.656 -9.597 1.00 0.00 O ATOM 1074 CB SER A 73 -1.750 -10.958 -8.573 1.00 0.00 C ATOM 1075 OG SER A 73 -0.845 -9.886 -8.775 1.00 0.00 O ATOM 0 H SER A 73 -3.347 -9.641 -9.939 1.00 0.00 H new ATOM 0 HA SER A 73 -1.483 -11.715 -10.569 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.568 -10.632 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.244 -11.773 -8.055 1.00 0.00 H new ATOM 0 HG SER A 73 -1.346 -9.068 -8.977 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.472 -13.859 -9.566 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.151 -15.129 -9.344 1.00 0.00 C ATOM 1083 C VAL A 74 -2.954 -15.614 -7.912 1.00 0.00 C ATOM 1084 O VAL A 74 -3.749 -16.402 -7.399 1.00 0.00 O ATOM 1085 CB VAL A 74 -2.645 -16.213 -10.315 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.756 -15.733 -11.754 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -1.214 -16.601 -9.981 1.00 0.00 C ATOM 0 H VAL A 74 -1.456 -13.929 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.212 -14.957 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.271 -17.098 -10.204 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.394 -16.511 -12.426 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.798 -15.510 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.155 -14.833 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.873 -17.368 -10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.571 -15.725 -10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.170 -16.989 -8.963 1.00 0.00 H new ATOM 1097 N GLU A 75 -1.890 -15.138 -7.272 1.00 0.00 N ATOM 1098 CA GLU A 75 -1.589 -15.524 -5.899 1.00 0.00 C ATOM 1099 C GLU A 75 -2.782 -15.256 -4.985 1.00 0.00 C ATOM 1100 O GLU A 75 -3.144 -14.106 -4.741 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.363 -14.766 -5.390 1.00 0.00 C ATOM 1102 CG GLU A 75 0.929 -15.159 -6.088 1.00 0.00 C ATOM 1103 CD GLU A 75 1.323 -16.599 -5.818 1.00 0.00 C ATOM 1104 OE1 GLU A 75 2.038 -16.843 -4.824 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.913 -17.482 -6.600 1.00 0.00 O ATOM 0 H GLU A 75 -1.223 -14.485 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.377 -16.593 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.527 -13.697 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.256 -14.942 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.817 -15.012 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.731 -14.499 -5.758 1.00 0.00 H new ATOM 1112 N SER A 76 -3.388 -16.328 -4.483 1.00 0.00 N ATOM 1113 CA SER A 76 -4.542 -16.209 -3.600 1.00 0.00 C ATOM 1114 C SER A 76 -4.221 -15.318 -2.403 1.00 0.00 C ATOM 1115 O SER A 76 -5.043 -14.504 -1.982 1.00 0.00 O ATOM 1116 CB SER A 76 -4.985 -17.592 -3.116 1.00 0.00 C ATOM 1117 OG SER A 76 -5.679 -18.290 -4.137 1.00 0.00 O ATOM 0 H SER A 76 -3.099 -17.288 -4.673 1.00 0.00 H new ATOM 0 HA SER A 76 -5.355 -15.751 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.114 -18.168 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.627 -17.487 -2.242 1.00 0.00 H new ATOM 0 HG SER A 76 -5.950 -19.171 -3.805 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.019 -15.480 -1.859 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.587 -14.691 -0.711 1.00 0.00 C ATOM 1125 C VAL A 77 -2.750 -13.199 -0.978 1.00 0.00 C ATOM 1126 O VAL A 77 -3.143 -12.439 -0.092 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.117 -14.980 -0.353 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.220 -14.760 -1.560 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.675 -14.113 0.816 1.00 0.00 C ATOM 0 H VAL A 77 -2.327 -16.150 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.221 -14.979 0.128 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.032 -16.025 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.814 -14.969 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.525 -15.427 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.305 -13.726 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.366 -14.329 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.774 -13.061 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.300 -14.326 1.684 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.447 -12.786 -2.203 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.560 -11.383 -2.586 1.00 0.00 C ATOM 1141 C TRP A 78 -4.020 -10.991 -2.788 1.00 0.00 C ATOM 1142 O TRP A 78 -4.461 -9.942 -2.318 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.766 -11.117 -3.866 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.320 -10.814 -3.616 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.749 -11.601 -3.933 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.213 -9.640 -2.993 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.917 -10.988 -3.545 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.615 -9.783 -2.966 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.355 -8.482 -2.456 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.452 -8.812 -2.425 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.477 -7.518 -1.918 1.00 0.00 C ATOM 1152 CH2 TRP A 78 1.868 -7.688 -1.906 1.00 0.00 C ATOM 0 H TRP A 78 -2.121 -13.402 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.148 -10.777 -1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -1.840 -11.987 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.218 -10.280 -4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.687 -12.564 -4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.855 -11.368 -3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.426 -8.342 -2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.524 -8.941 -2.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.048 -6.619 -1.500 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.492 -6.917 -1.479 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.765 -11.839 -3.490 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.175 -11.579 -3.754 1.00 0.00 C ATOM 1165 C ASN A 79 -6.931 -11.305 -2.457 1.00 0.00 C ATOM 1166 O ASN A 79 -7.652 -10.316 -2.344 1.00 0.00 O ATOM 1167 CB ASN A 79 -6.807 -12.767 -4.484 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.380 -12.845 -5.937 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -6.899 -12.121 -6.787 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.430 -13.726 -6.228 1.00 0.00 N ATOM 0 H ASN A 79 -4.416 -12.712 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.242 -10.694 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.530 -13.691 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.893 -12.687 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.102 -13.823 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.028 -14.305 -5.491 1.00 0.00 H new ATOM 1177 N MET A 80 -6.758 -12.191 -1.481 1.00 0.00 N ATOM 1178 CA MET A 80 -7.422 -12.044 -0.190 1.00 0.00 C ATOM 1179 C MET A 80 -6.830 -10.879 0.596 1.00 0.00 C ATOM 1180 O MET A 80 -7.546 -10.164 1.296 1.00 0.00 O ATOM 1181 CB MET A 80 -7.299 -13.336 0.621 1.00 0.00 C ATOM 1182 CG MET A 80 -7.864 -14.555 -0.088 1.00 0.00 C ATOM 1183 SD MET A 80 -9.663 -14.647 0.017 1.00 0.00 S ATOM 1184 CE MET A 80 -9.987 -16.092 -0.989 1.00 0.00 C ATOM 0 H MET A 80 -6.165 -13.017 -1.559 1.00 0.00 H new ATOM 0 HA MET A 80 -8.476 -11.837 -0.373 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.248 -13.513 0.849 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.815 -13.208 1.573 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.566 -14.532 -1.136 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.432 -15.456 0.347 1.00 0.00 H new ATOM 0 HE1 MET A 80 -11.060 -16.279 -1.022 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.618 -15.922 -2.000 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.481 -16.956 -0.559 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.520 -10.693 0.474 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.833 -9.612 1.172 1.00 0.00 C ATOM 1196 C ALA A 81 -5.498 -8.269 0.892 1.00 0.00 C ATOM 1197 O ALA A 81 -5.721 -7.472 1.804 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.367 -9.572 0.770 1.00 0.00 C ATOM 0 H ALA A 81 -4.913 -11.277 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.899 -9.804 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.867 -8.761 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.893 -10.519 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.289 -9.408 -0.305 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.813 -8.022 -0.375 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.450 -6.773 -0.776 1.00 0.00 C ATOM 1206 C PHE A 82 -7.712 -6.521 0.043 1.00 0.00 C ATOM 1207 O PHE A 82 -7.946 -5.408 0.516 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.793 -6.806 -2.267 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.471 -5.558 -2.754 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.846 -4.326 -2.643 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.734 -5.616 -3.322 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.468 -3.176 -3.090 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.361 -4.469 -3.772 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.726 -3.247 -3.656 1.00 0.00 C ATOM 0 H PHE A 82 -5.637 -8.671 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.749 -5.960 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.878 -6.959 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.439 -7.661 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.862 -4.264 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.234 -6.569 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.971 -2.222 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.345 -4.528 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.213 -2.349 -4.007 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.523 -7.560 0.204 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.762 -7.452 0.966 1.00 0.00 C ATOM 1226 C ASP A 83 -9.498 -6.885 2.357 1.00 0.00 C ATOM 1227 O ASP A 83 -10.266 -6.065 2.861 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.437 -8.820 1.079 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.939 -8.712 1.256 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.377 -8.035 2.210 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.678 -9.303 0.441 1.00 0.00 O ATOM 0 H ASP A 83 -8.345 -8.487 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.427 -6.770 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.221 -9.404 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.013 -9.363 1.924 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.407 -7.327 2.973 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.042 -6.866 4.307 1.00 0.00 C ATOM 1238 C PHE A 84 -7.465 -5.455 4.255 1.00 0.00 C ATOM 1239 O PHE A 84 -7.873 -4.577 5.017 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.027 -7.821 4.941 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.632 -7.435 6.337 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.554 -6.593 6.558 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.338 -7.915 7.429 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.188 -6.235 7.842 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.976 -7.561 8.715 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.899 -6.721 8.922 1.00 0.00 C ATOM 0 H PHE A 84 -7.760 -8.004 2.569 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.945 -6.849 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.447 -8.827 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.135 -7.857 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.993 -6.212 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.180 -8.573 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.347 -5.576 8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.535 -7.941 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.613 -6.445 9.926 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.513 -5.244 3.353 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.880 -3.940 3.201 1.00 0.00 C ATOM 1258 C ILE A 85 -6.916 -2.853 2.935 1.00 0.00 C ATOM 1259 O ILE A 85 -7.007 -1.873 3.675 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.850 -3.943 2.055 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.777 -5.004 2.308 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.219 -2.567 1.907 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.952 -5.332 1.083 1.00 0.00 C ATOM 0 H ILE A 85 -6.163 -5.960 2.716 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.367 -3.728 4.139 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.363 -4.187 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.114 -4.657 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.256 -5.915 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.494 -2.585 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.994 -1.833 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.716 -2.295 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.212 -6.091 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.604 -5.709 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.445 -4.432 0.734 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.698 -3.035 1.877 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.731 -2.071 1.513 1.00 0.00 C ATOM 1277 C LEU A 86 -9.737 -1.898 2.647 1.00 0.00 C ATOM 1278 O LEU A 86 -10.295 -0.816 2.834 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.451 -2.522 0.241 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.548 -3.570 0.427 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.893 -2.900 0.663 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.615 -4.493 -0.782 1.00 0.00 C ATOM 0 H LEU A 86 -7.637 -3.842 1.256 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.250 -1.110 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.891 -1.645 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.709 -2.921 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.305 -4.170 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.661 -3.662 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.839 -2.282 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.144 -2.275 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.401 -5.233 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.833 -3.907 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.658 -5.001 -0.906 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.960 -2.968 3.401 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.896 -2.934 4.519 1.00 0.00 C ATOM 1296 C ASP A 87 -10.339 -2.100 5.668 1.00 0.00 C ATOM 1297 O ASP A 87 -11.090 -1.469 6.411 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.200 -4.353 5.002 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.987 -4.368 6.297 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.100 -3.802 6.321 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.491 -4.947 7.286 1.00 0.00 O ATOM 0 H ASP A 87 -9.506 -3.870 3.259 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.820 -2.472 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.762 -4.883 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.264 -4.894 5.143 1.00 0.00 H new ATOM 1306 N ASN A 88 -9.018 -2.104 5.809 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.360 -1.348 6.870 1.00 0.00 C ATOM 1308 C ASN A 88 -8.332 0.140 6.540 1.00 0.00 C ATOM 1309 O ASN A 88 -8.604 0.982 7.396 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.935 -1.862 7.081 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.840 -2.850 8.229 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.226 -2.566 9.257 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.451 -4.017 8.056 1.00 0.00 N ATOM 0 H ASN A 88 -8.382 -2.622 5.203 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.930 -1.487 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.584 -2.338 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.273 -1.019 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.423 -4.722 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.948 -4.208 7.186 1.00 0.00 H new ATOM 1320 N VAL A 89 -8.000 0.459 5.292 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.937 1.846 4.848 1.00 0.00 C ATOM 1322 C VAL A 89 -9.333 2.446 4.720 1.00 0.00 C ATOM 1323 O VAL A 89 -9.522 3.648 4.905 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.211 1.970 3.496 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.842 1.312 3.562 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.052 1.362 2.383 1.00 0.00 C ATOM 0 H VAL A 89 -7.771 -0.225 4.571 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.377 2.395 5.604 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.068 3.028 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.344 1.410 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.241 1.798 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.957 0.256 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.524 1.458 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.228 0.307 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.007 1.884 2.322 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.308 1.600 4.403 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.687 2.047 4.250 1.00 0.00 C ATOM 1338 C GLN A 90 -12.343 2.263 5.610 1.00 0.00 C ATOM 1339 O GLN A 90 -13.238 3.096 5.754 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.490 1.027 3.440 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.251 1.118 1.941 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.915 2.329 1.317 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -14.049 2.255 0.844 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.210 3.454 1.313 1.00 0.00 N ATOM 0 H GLN A 90 -10.168 0.602 4.247 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.677 2.997 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.235 0.023 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.552 1.171 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.179 1.157 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.627 0.214 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.273 3.470 1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.605 4.302 0.907 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.893 1.507 6.606 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.435 1.616 7.954 1.00 0.00 C ATOM 1355 C VAL A 91 -11.845 2.814 8.688 1.00 0.00 C ATOM 1356 O VAL A 91 -12.569 3.599 9.303 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.162 0.341 8.774 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.314 0.619 10.262 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.091 -0.783 8.337 1.00 0.00 C ATOM 0 H VAL A 91 -11.154 0.812 6.504 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.512 1.750 7.852 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.135 0.026 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.117 -0.294 10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.605 1.390 10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.329 0.960 10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.884 -1.676 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.127 -0.479 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.928 -1.000 7.281 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.525 2.951 8.622 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.836 4.056 9.278 1.00 0.00 C ATOM 1371 C VAL A 92 -10.436 5.397 8.872 1.00 0.00 C ATOM 1372 O VAL A 92 -10.672 6.265 9.713 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.332 4.058 8.947 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.117 4.021 7.442 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.652 5.271 9.562 1.00 0.00 C ATOM 0 H VAL A 92 -9.910 2.310 8.120 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.963 3.914 10.351 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.882 3.163 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.048 4.023 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.568 3.117 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.580 4.896 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.590 5.256 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.102 6.181 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.776 5.247 10.645 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.681 5.561 7.576 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.255 6.797 7.057 1.00 0.00 C ATOM 1387 C LEU A 93 -12.742 6.886 7.383 1.00 0.00 C ATOM 1388 O LEU A 93 -13.300 7.980 7.481 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.046 6.882 5.543 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.152 6.275 4.679 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.226 7.311 4.381 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.573 5.718 3.387 1.00 0.00 C ATOM 0 H LEU A 93 -10.491 4.854 6.866 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.747 7.634 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.933 7.931 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.107 6.386 5.297 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.611 5.455 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.005 6.861 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.661 7.663 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.782 8.152 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.374 5.290 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.089 6.520 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.841 4.945 3.620 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.377 5.731 7.552 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.799 5.680 7.868 1.00 0.00 C ATOM 1406 C GLN A 94 -15.065 6.224 9.269 1.00 0.00 C ATOM 1407 O GLN A 94 -16.167 6.679 9.568 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.315 4.245 7.760 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.702 4.051 8.354 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.197 2.623 8.225 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.327 2.382 7.799 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.351 1.668 8.593 1.00 0.00 N ATOM 0 H GLN A 94 -12.929 4.818 7.475 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.328 6.305 7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.334 3.953 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.616 3.577 8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.685 4.332 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.403 4.721 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.424 1.914 8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.628 0.688 8.528 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.045 6.173 10.121 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.171 6.660 11.489 1.00 0.00 C ATOM 1423 C GLN A 95 -14.049 8.180 11.541 1.00 0.00 C ATOM 1424 O GLN A 95 -14.701 8.840 12.350 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.103 6.022 12.380 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.059 4.505 12.284 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.619 3.851 13.579 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.442 3.532 14.438 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.316 3.648 13.726 1.00 0.00 N ATOM 0 H GLN A 95 -13.125 5.800 9.888 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.158 6.380 11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.127 6.424 12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.288 6.307 13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.047 4.133 12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.377 4.215 11.485 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.670 3.928 12.988 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.961 3.212 14.577 1.00 0.00 H new ATOM 1438 N THR A 96 -13.209 8.730 10.669 1.00 0.00 N ATOM 1439 CA THR A 96 -13.001 10.172 10.615 1.00 0.00 C ATOM 1440 C THR A 96 -14.030 10.843 9.713 1.00 0.00 C ATOM 1441 O THR A 96 -14.431 11.982 9.953 1.00 0.00 O ATOM 1442 CB THR A 96 -11.588 10.517 10.108 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.308 11.902 10.339 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.455 10.207 8.623 1.00 0.00 C ATOM 0 H THR A 96 -12.662 8.199 9.991 1.00 0.00 H new ATOM 0 HA THR A 96 -13.116 10.546 11.632 1.00 0.00 H new ATOM 0 HB THR A 96 -10.870 9.906 10.656 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.407 12.112 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.449 10.459 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.639 9.146 8.455 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.182 10.794 8.062 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.452 10.131 8.675 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.435 10.659 7.735 1.00 0.00 C ATOM 1454 C TYR A 97 -16.840 10.182 8.090 1.00 0.00 C ATOM 1455 O TYR A 97 -17.759 10.985 8.244 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.085 10.235 6.308 1.00 0.00 C ATOM 1457 CG TYR A 97 -13.950 11.028 5.701 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.153 12.319 5.229 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.675 10.487 5.600 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.119 13.047 4.673 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.634 11.209 5.047 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.861 12.488 4.584 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.829 13.210 4.033 1.00 0.00 O ATOM 0 H TYR A 97 -14.130 9.187 8.462 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.414 11.747 7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.819 9.178 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -15.969 10.342 5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.136 12.761 5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.494 9.485 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.295 14.049 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.648 10.774 4.978 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.103 13.293 4.686 1.00 0.00 H new ATOM 1473 N GLY A 98 -16.997 8.868 8.218 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.292 8.305 8.554 1.00 0.00 C ATOM 1475 C GLY A 98 -18.782 7.319 7.513 1.00 0.00 C ATOM 1476 O GLY A 98 -19.693 6.533 7.774 1.00 0.00 O ATOM 0 H GLY A 98 -16.251 8.183 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.228 7.806 9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.019 9.110 8.658 1.00 0.00 H new ATOM 1480 N SER A 99 -18.180 7.362 6.329 1.00 0.00 N ATOM 1481 CA SER A 99 -18.566 6.468 5.244 1.00 0.00 C ATOM 1482 C SER A 99 -17.336 5.853 4.583 1.00 0.00 C ATOM 1483 O SER A 99 -16.211 6.021 5.057 1.00 0.00 O ATOM 1484 CB SER A 99 -19.393 7.225 4.202 1.00 0.00 C ATOM 1485 OG SER A 99 -20.485 7.894 4.806 1.00 0.00 O ATOM 0 H SER A 99 -17.424 8.006 6.097 1.00 0.00 H new ATOM 0 HA SER A 99 -19.171 5.665 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.760 7.947 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.761 6.528 3.449 1.00 0.00 H new ATOM 0 HG SER A 99 -20.997 8.371 4.120 1.00 0.00 H new ATOM 1491 N THR A 100 -17.557 5.138 3.484 1.00 0.00 N ATOM 1492 CA THR A 100 -16.467 4.496 2.758 1.00 0.00 C ATOM 1493 C THR A 100 -16.561 4.779 1.263 1.00 0.00 C ATOM 1494 O THR A 100 -17.645 5.039 0.737 1.00 0.00 O ATOM 1495 CB THR A 100 -16.465 2.972 2.982 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.548 2.370 2.265 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.584 2.642 4.462 1.00 0.00 C ATOM 0 H THR A 100 -18.480 4.989 3.077 1.00 0.00 H new ATOM 0 HA THR A 100 -15.538 4.914 3.146 1.00 0.00 H new ATOM 0 HB THR A 100 -15.520 2.574 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.539 1.401 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.580 1.560 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.742 3.077 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.515 3.052 4.853 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.421 4.726 0.583 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.375 4.976 -0.854 1.00 0.00 C ATOM 1507 C LEU A 101 -16.018 3.829 -1.626 1.00 0.00 C ATOM 1508 O LEU A 101 -16.110 2.706 -1.130 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.928 5.167 -1.311 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.199 6.382 -0.739 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.702 6.271 -0.985 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.746 7.668 -1.342 1.00 0.00 C ATOM 0 H LEU A 101 -14.516 4.512 1.003 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.937 5.887 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.364 4.272 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.918 5.241 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.369 6.409 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.199 7.145 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.320 5.371 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.512 6.218 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.214 8.522 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.608 7.650 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.808 7.754 -1.113 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.459 4.118 -2.846 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.089 3.110 -3.691 1.00 0.00 C ATOM 1526 C LYS A 102 -16.049 2.373 -4.528 1.00 0.00 C ATOM 1527 O LYS A 102 -15.398 2.965 -5.389 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.129 3.761 -4.608 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.659 2.830 -5.683 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.120 1.506 -5.098 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.124 1.714 -3.973 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.282 2.542 -4.410 1.00 0.00 N ATOM 0 H LYS A 102 -16.392 5.042 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.585 2.388 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.963 4.116 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.685 4.636 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.490 3.308 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.881 2.650 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.571 0.898 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.259 0.954 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.482 0.746 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.630 2.197 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.998 2.563 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.961 3.511 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.697 2.132 -5.271 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.899 1.077 -4.270 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.939 0.259 -5.001 1.00 0.00 C ATOM 1548 C VAL A 103 -15.646 -0.687 -5.965 1.00 0.00 C ATOM 1549 O VAL A 103 -15.535 -1.909 -5.848 1.00 0.00 O ATOM 1550 CB VAL A 103 -14.060 -0.565 -4.043 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -14.917 -1.485 -3.187 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -13.024 -1.361 -4.823 1.00 0.00 C ATOM 0 H VAL A 103 -16.430 0.572 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.305 0.943 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.534 0.122 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.277 -2.059 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.616 -0.889 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.473 -2.167 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.411 -1.938 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.529 -2.039 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.389 -0.678 -5.387 1.00 0.00 H new ATOM 1562 N THR A 104 -16.375 -0.116 -6.919 1.00 0.00 N ATOM 1563 CA THR A 104 -17.102 -0.908 -7.903 1.00 0.00 C ATOM 1564 C THR A 104 -16.513 -0.727 -9.298 1.00 0.00 C ATOM 1565 O THR A 104 -17.113 -1.134 -10.294 1.00 0.00 O ATOM 1566 CB THR A 104 -18.596 -0.533 -7.936 1.00 0.00 C ATOM 1567 OG1 THR A 104 -19.295 -1.380 -8.854 1.00 0.00 O ATOM 1568 CG2 THR A 104 -18.778 0.923 -8.342 1.00 0.00 C ATOM 0 H THR A 104 -16.477 0.893 -7.031 1.00 0.00 H new ATOM 0 HA THR A 104 -17.004 -1.951 -7.602 1.00 0.00 H new ATOM 0 HB THR A 104 -19.005 -0.670 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 104 -18.727 -1.559 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 104 -19.840 1.166 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 104 -18.270 1.567 -7.624 1.00 0.00 H new ATOM 0 HG23 THR A 104 -18.354 1.080 -9.334 1.00 0.00 H new TER 1576 THR A 104