USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 LYS NZ :NH3+ -161:sc= -0.575 (180deg=-1.44!) USER MOD Set 1.2: A 56 ASN : amide:sc= -2.63! K(o=-3.2!,f=-1.6) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -147:sc= -0.665 (180deg=-2.61!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 132:sc= -1.67! USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.43) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0.0237 (180deg=0.0183) USER MOD Single : A 13 TYR OH : rot 88:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -9.16! C(o=-9.2!,f=-5.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -4.33 (180deg=-9.31!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0.518 (180deg=0.5) USER MOD Single : A 43 MET CE :methyl -155:sc= -1.33 (180deg=-3.25!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -120:sc= 0.0387 USER MOD Single : A 62 SER OG : rot 180:sc= -0.718 USER MOD Single : A 67 GLN : amide:sc= -7.49! C(o=-7.5!,f=-4.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 63:sc= 1.3 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -18.946 -2.279 6.213 1.00 0.00 N ATOM 2 CA MET A 0 -19.843 -3.295 5.594 1.00 0.00 C ATOM 3 C MET A 0 -19.004 -4.287 4.785 1.00 0.00 C ATOM 4 O MET A 0 -17.862 -4.030 4.462 1.00 0.00 O ATOM 5 CB MET A 0 -20.843 -2.597 4.668 1.00 0.00 C ATOM 6 CG MET A 0 -21.455 -1.397 5.393 1.00 0.00 C ATOM 7 SD MET A 0 -21.566 0.003 4.252 1.00 0.00 S ATOM 8 CE MET A 0 -22.810 0.944 5.168 1.00 0.00 C ATOM 0 H1 MET A 0 -19.337 -1.984 7.130 1.00 0.00 H new ATOM 0 H2 MET A 0 -18.002 -2.691 6.356 1.00 0.00 H new ATOM 0 H3 MET A 0 -18.872 -1.453 5.586 1.00 0.00 H new ATOM 0 HA MET A 0 -20.384 -3.828 6.376 1.00 0.00 H new ATOM 0 HB2 MET A 0 -20.344 -2.269 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 0 -21.626 -3.294 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 0 -22.445 -1.652 5.770 1.00 0.00 H new ATOM 0 HG3 MET A 0 -20.845 -1.130 6.256 1.00 0.00 H new ATOM 0 HE1 MET A 0 -23.034 1.867 4.633 1.00 0.00 H new ATOM 0 HE2 MET A 0 -23.719 0.350 5.263 1.00 0.00 H new ATOM 0 HE3 MET A 0 -22.427 1.183 6.160 1.00 0.00 H new ATOM 18 N LYS A 1 -19.562 -5.421 4.459 1.00 0.00 N ATOM 19 CA LYS A 1 -18.795 -6.431 3.674 1.00 0.00 C ATOM 20 C LYS A 1 -18.858 -6.079 2.186 1.00 0.00 C ATOM 21 O LYS A 1 -19.726 -6.535 1.468 1.00 0.00 O ATOM 22 CB LYS A 1 -19.405 -7.818 3.895 1.00 0.00 C ATOM 23 CG LYS A 1 -19.229 -8.230 5.359 1.00 0.00 C ATOM 24 CD LYS A 1 -19.439 -9.740 5.494 1.00 0.00 C ATOM 25 CE LYS A 1 -18.147 -10.474 5.131 1.00 0.00 C ATOM 26 NZ LYS A 1 -18.480 -11.762 4.459 1.00 0.00 N ATOM 0 H LYS A 1 -20.515 -5.692 4.702 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.756 -6.432 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -20.463 -7.806 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.924 -8.546 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.232 -7.958 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.942 -7.696 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.734 -9.986 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.249 -10.064 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.537 -9.855 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.558 -10.661 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.602 -12.262 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.046 -12.353 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.025 -11.571 3.594 1.00 0.00 H new ATOM 40 N SER A 2 -17.944 -5.275 1.713 1.00 0.00 N ATOM 41 CA SER A 2 -17.959 -4.907 0.271 1.00 0.00 C ATOM 42 C SER A 2 -16.550 -4.499 -0.171 1.00 0.00 C ATOM 43 O SER A 2 -15.707 -4.199 0.650 1.00 0.00 O ATOM 44 CB SER A 2 -18.929 -3.745 0.049 1.00 0.00 C ATOM 45 OG SER A 2 -18.233 -2.516 0.202 1.00 0.00 O ATOM 0 H SER A 2 -17.191 -4.859 2.261 1.00 0.00 H new ATOM 0 HA SER A 2 -18.285 -5.764 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.366 -3.807 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.751 -3.802 0.762 1.00 0.00 H new ATOM 0 HG SER A 2 -18.442 -1.926 -0.552 1.00 0.00 H new ATOM 51 N PRO A 3 -16.338 -4.511 -1.463 1.00 0.00 N ATOM 52 CA PRO A 3 -15.033 -4.158 -2.056 1.00 0.00 C ATOM 53 C PRO A 3 -14.680 -2.691 -1.777 1.00 0.00 C ATOM 54 O PRO A 3 -13.583 -2.249 -2.050 1.00 0.00 O ATOM 55 CB PRO A 3 -15.217 -4.379 -3.564 1.00 0.00 C ATOM 56 CG PRO A 3 -16.679 -4.842 -3.800 1.00 0.00 C ATOM 57 CD PRO A 3 -17.380 -4.887 -2.435 1.00 0.00 C ATOM 0 HA PRO A 3 -14.224 -4.757 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.014 -3.459 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.515 -5.129 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.194 -4.155 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.698 -5.824 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.222 -4.195 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.775 -5.881 -2.226 1.00 0.00 H new ATOM 65 N GLU A 4 -15.594 -1.931 -1.236 1.00 0.00 N ATOM 66 CA GLU A 4 -15.290 -0.503 -0.949 1.00 0.00 C ATOM 67 C GLU A 4 -14.521 -0.408 0.368 1.00 0.00 C ATOM 68 O GLU A 4 -14.076 0.647 0.762 1.00 0.00 O ATOM 69 CB GLU A 4 -16.597 0.298 -0.865 1.00 0.00 C ATOM 70 CG GLU A 4 -17.212 0.175 0.534 1.00 0.00 C ATOM 71 CD GLU A 4 -18.675 0.625 0.492 1.00 0.00 C ATOM 72 OE1 GLU A 4 -18.980 1.511 -0.288 1.00 0.00 O ATOM 73 OE2 GLU A 4 -19.464 0.075 1.243 1.00 0.00 O ATOM 0 H GLU A 4 -16.533 -2.237 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.679 -0.087 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.404 1.346 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.302 -0.066 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.148 -0.856 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.653 0.786 1.243 1.00 0.00 H new ATOM 80 N GLU A 5 -14.369 -1.507 1.054 1.00 0.00 N ATOM 81 CA GLU A 5 -13.644 -1.488 2.348 1.00 0.00 C ATOM 82 C GLU A 5 -12.174 -1.101 2.129 1.00 0.00 C ATOM 83 O GLU A 5 -11.435 -0.875 3.067 1.00 0.00 O ATOM 84 CB GLU A 5 -13.723 -2.881 2.972 1.00 0.00 C ATOM 85 CG GLU A 5 -14.193 -2.767 4.421 1.00 0.00 C ATOM 86 CD GLU A 5 -14.097 -4.137 5.097 1.00 0.00 C ATOM 87 OE1 GLU A 5 -13.003 -4.507 5.488 1.00 0.00 O ATOM 88 OE2 GLU A 5 -15.121 -4.791 5.213 1.00 0.00 O ATOM 0 H GLU A 5 -14.719 -2.421 0.769 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.100 -0.753 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.411 -3.507 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.747 -3.364 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.581 -2.041 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.220 -2.404 4.454 1.00 0.00 H new ATOM 95 N LEU A 6 -11.749 -1.026 0.897 1.00 0.00 N ATOM 96 CA LEU A 6 -10.333 -0.660 0.599 1.00 0.00 C ATOM 97 C LEU A 6 -10.155 0.841 0.678 1.00 0.00 C ATOM 98 O LEU A 6 -9.087 1.343 0.965 1.00 0.00 O ATOM 99 CB LEU A 6 -9.976 -1.171 -0.787 1.00 0.00 C ATOM 100 CG LEU A 6 -10.599 -2.552 -1.002 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.040 -3.175 -2.284 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.263 -3.452 0.189 1.00 0.00 C ATOM 0 H LEU A 6 -12.327 -1.204 0.076 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.670 -1.116 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.337 -0.476 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.893 -1.229 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.681 -2.451 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.485 -4.158 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.278 -2.535 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.958 -3.276 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.706 -4.436 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.181 -3.551 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.662 -3.011 1.102 1.00 0.00 H new ATOM 114 N LYS A 7 -11.185 1.562 0.446 1.00 0.00 N ATOM 115 CA LYS A 7 -11.095 3.017 0.529 1.00 0.00 C ATOM 116 C LYS A 7 -10.666 3.463 1.940 1.00 0.00 C ATOM 117 O LYS A 7 -10.134 4.540 2.119 1.00 0.00 O ATOM 118 CB LYS A 7 -12.473 3.531 0.143 1.00 0.00 C ATOM 119 CG LYS A 7 -12.958 4.640 1.091 1.00 0.00 C ATOM 120 CD LYS A 7 -13.306 4.048 2.482 1.00 0.00 C ATOM 121 CE LYS A 7 -13.688 2.562 2.384 1.00 0.00 C ATOM 122 NZ LYS A 7 -13.851 1.996 3.753 1.00 0.00 N ATOM 0 H LYS A 7 -12.105 1.198 0.197 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.335 3.424 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.445 3.912 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.185 2.706 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.185 5.401 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.834 5.131 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.453 4.162 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.132 4.609 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.615 2.451 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.918 2.013 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.277 1.134 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.539 2.695 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.852 1.764 3.916 1.00 0.00 H new ATOM 136 N GLY A 8 -10.938 2.673 2.949 1.00 0.00 N ATOM 137 CA GLY A 8 -10.588 3.101 4.340 1.00 0.00 C ATOM 138 C GLY A 8 -9.388 2.332 4.926 1.00 0.00 C ATOM 139 O GLY A 8 -8.912 2.673 5.988 1.00 0.00 O ATOM 0 H GLY A 8 -11.383 1.758 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.363 4.168 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.454 2.958 4.986 1.00 0.00 H new ATOM 143 N ILE A 9 -8.881 1.313 4.279 1.00 0.00 N ATOM 144 CA ILE A 9 -7.712 0.589 4.880 1.00 0.00 C ATOM 145 C ILE A 9 -6.498 1.506 4.828 1.00 0.00 C ATOM 146 O ILE A 9 -6.134 2.142 5.794 1.00 0.00 O ATOM 147 CB ILE A 9 -7.424 -0.718 4.110 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.017 -1.240 4.434 1.00 0.00 C ATOM 149 CG2 ILE A 9 -7.552 -0.525 2.603 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.097 -2.238 5.589 1.00 0.00 C ATOM 0 H ILE A 9 -9.213 0.955 3.383 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.939 0.325 5.913 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.168 -1.447 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.584 -1.718 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.362 -0.410 4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.342 -1.467 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.565 -0.202 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.841 0.232 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.098 -2.609 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.513 -1.745 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.737 -3.073 5.305 1.00 0.00 H new ATOM 162 N PHE A 10 -5.891 1.579 3.692 1.00 0.00 N ATOM 163 CA PHE A 10 -4.708 2.464 3.508 1.00 0.00 C ATOM 164 C PHE A 10 -4.976 3.782 4.202 1.00 0.00 C ATOM 165 O PHE A 10 -4.294 4.181 5.120 1.00 0.00 O ATOM 166 CB PHE A 10 -4.561 2.751 2.028 1.00 0.00 C ATOM 167 CG PHE A 10 -3.528 3.847 1.791 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.825 5.197 2.064 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.256 3.506 1.312 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.855 6.189 1.861 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.293 4.503 1.104 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.594 5.846 1.382 1.00 0.00 C ATOM 0 H PHE A 10 -6.164 1.055 2.861 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.814 1.988 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.262 1.843 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.522 3.055 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.804 5.469 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.017 2.474 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.087 7.222 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.316 4.237 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.848 6.611 1.224 1.00 0.00 H new ATOM 182 N GLU A 11 -5.969 4.460 3.718 1.00 0.00 N ATOM 183 CA GLU A 11 -6.330 5.795 4.279 1.00 0.00 C ATOM 184 C GLU A 11 -6.180 5.778 5.800 1.00 0.00 C ATOM 185 O GLU A 11 -5.663 6.707 6.387 1.00 0.00 O ATOM 186 CB GLU A 11 -7.775 6.141 3.903 1.00 0.00 C ATOM 187 CG GLU A 11 -8.091 7.568 4.351 1.00 0.00 C ATOM 188 CD GLU A 11 -9.054 8.210 3.350 1.00 0.00 C ATOM 189 OE1 GLU A 11 -9.597 7.485 2.532 1.00 0.00 O ATOM 190 OE2 GLU A 11 -9.230 9.416 3.416 1.00 0.00 O ATOM 0 H GLU A 11 -6.558 4.147 2.946 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.661 6.549 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.914 6.047 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.463 5.440 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.535 7.559 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.173 8.153 4.417 1.00 0.00 H new ATOM 197 N LYS A 12 -6.619 4.735 6.447 1.00 0.00 N ATOM 198 CA LYS A 12 -6.481 4.689 7.928 1.00 0.00 C ATOM 199 C LYS A 12 -4.994 4.611 8.300 1.00 0.00 C ATOM 200 O LYS A 12 -4.533 5.335 9.156 1.00 0.00 O ATOM 201 CB LYS A 12 -7.270 3.487 8.500 1.00 0.00 C ATOM 202 CG LYS A 12 -6.343 2.328 8.905 1.00 0.00 C ATOM 203 CD LYS A 12 -5.568 2.702 10.174 1.00 0.00 C ATOM 204 CE LYS A 12 -5.973 1.765 11.314 1.00 0.00 C ATOM 205 NZ LYS A 12 -4.751 1.284 12.018 1.00 0.00 N ATOM 0 H LYS A 12 -7.062 3.921 6.020 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.898 5.596 8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.845 3.811 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.985 3.136 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.929 1.425 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.648 2.106 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.496 2.629 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.775 3.736 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.627 2.286 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.536 0.919 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.027 0.730 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.193 0.687 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.179 2.099 12.317 1.00 0.00 H new ATOM 219 N TYR A 13 -4.239 3.740 7.675 1.00 0.00 N ATOM 220 CA TYR A 13 -2.792 3.643 8.028 1.00 0.00 C ATOM 221 C TYR A 13 -2.125 4.977 7.740 1.00 0.00 C ATOM 222 O TYR A 13 -1.094 5.310 8.290 1.00 0.00 O ATOM 223 CB TYR A 13 -2.138 2.498 7.263 1.00 0.00 C ATOM 224 CG TYR A 13 -2.287 1.292 8.138 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.498 0.597 8.159 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.240 0.912 8.975 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.658 -0.493 9.016 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.398 -0.173 9.840 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.609 -0.880 9.860 1.00 0.00 C ATOM 230 OH TYR A 13 -2.769 -1.954 10.713 1.00 0.00 O ATOM 0 H TYR A 13 -4.558 3.101 6.946 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.676 3.423 9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.622 2.344 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.088 2.710 7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.309 0.902 7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.307 1.456 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.590 -1.038 9.028 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.589 -0.467 10.492 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.516 -2.780 10.250 1.00 0.00 H new ATOM 240 N ASP A 15 -2.761 5.761 6.930 1.00 0.00 N ATOM 241 CA ASP A 15 -2.281 7.110 6.629 1.00 0.00 C ATOM 242 C ASP A 15 -2.881 7.984 7.723 1.00 0.00 C ATOM 243 O ASP A 15 -3.693 8.850 7.471 1.00 0.00 O ATOM 244 CB ASP A 15 -2.838 7.524 5.273 1.00 0.00 C ATOM 245 CG ASP A 15 -1.756 8.255 4.478 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.616 8.232 4.912 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.085 8.826 3.450 1.00 0.00 O ATOM 0 H ASP A 15 -3.624 5.505 6.451 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.194 7.186 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.177 6.646 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.705 8.171 5.406 1.00 0.00 H new ATOM 252 N LYS A 16 -2.527 7.705 8.946 1.00 0.00 N ATOM 253 CA LYS A 16 -3.102 8.450 10.091 1.00 0.00 C ATOM 254 C LYS A 16 -2.437 9.825 10.184 1.00 0.00 C ATOM 255 O LYS A 16 -1.575 10.063 11.007 1.00 0.00 O ATOM 256 CB LYS A 16 -2.854 7.654 11.387 1.00 0.00 C ATOM 257 CG LYS A 16 -3.027 6.134 11.147 1.00 0.00 C ATOM 258 CD LYS A 16 -2.075 5.359 12.060 1.00 0.00 C ATOM 259 CE LYS A 16 -2.533 5.499 13.511 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.976 4.377 14.317 1.00 0.00 N ATOM 0 H LYS A 16 -1.854 6.982 9.200 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.175 8.582 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.848 7.855 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.548 7.985 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.058 5.839 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.822 5.895 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.055 4.307 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.059 5.739 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.200 6.454 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.622 5.493 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.287 4.471 15.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.314 3.472 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.937 4.403 14.277 1.00 0.00 H new ATOM 274 N GLU A 17 -2.846 10.731 9.334 1.00 0.00 N ATOM 275 CA GLU A 17 -2.262 12.100 9.347 1.00 0.00 C ATOM 276 C GLU A 17 -2.762 12.893 8.128 1.00 0.00 C ATOM 277 O GLU A 17 -3.254 13.996 8.259 1.00 0.00 O ATOM 278 CB GLU A 17 -0.739 12.006 9.310 1.00 0.00 C ATOM 279 CG GLU A 17 -0.165 12.748 10.517 1.00 0.00 C ATOM 280 CD GLU A 17 -0.494 14.237 10.403 1.00 0.00 C ATOM 281 OE1 GLU A 17 -1.646 14.585 10.600 1.00 0.00 O ATOM 282 OE2 GLU A 17 0.412 15.003 10.118 1.00 0.00 O ATOM 0 H GLU A 17 -3.565 10.577 8.627 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.571 12.613 10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.426 10.962 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.357 12.439 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.582 12.342 11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.915 12.606 10.565 1.00 0.00 H new ATOM 289 N GLY A 18 -2.630 12.349 6.943 1.00 0.00 N ATOM 290 CA GLY A 18 -3.086 13.081 5.727 1.00 0.00 C ATOM 291 C GLY A 18 -2.082 14.188 5.438 1.00 0.00 C ATOM 292 O GLY A 18 -2.432 15.313 5.142 1.00 0.00 O ATOM 0 H GLY A 18 -2.226 11.429 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.158 12.401 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.080 13.500 5.885 1.00 0.00 H new ATOM 296 N ASP A 19 -0.827 13.860 5.529 1.00 0.00 N ATOM 297 CA ASP A 19 0.245 14.848 5.275 1.00 0.00 C ATOM 298 C ASP A 19 1.515 14.033 5.135 1.00 0.00 C ATOM 299 O ASP A 19 2.584 14.425 5.558 1.00 0.00 O ATOM 300 CB ASP A 19 0.366 15.804 6.458 1.00 0.00 C ATOM 301 CG ASP A 19 0.880 17.160 5.971 1.00 0.00 C ATOM 302 OD1 ASP A 19 0.619 17.492 4.826 1.00 0.00 O ATOM 303 OD2 ASP A 19 1.526 17.842 6.749 1.00 0.00 O ATOM 0 H ASP A 19 -0.495 12.927 5.774 1.00 0.00 H new ATOM 0 HA ASP A 19 0.045 15.449 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.603 15.924 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.046 15.392 7.203 1.00 0.00 H new ATOM 308 N GLY A 20 1.375 12.858 4.601 1.00 0.00 N ATOM 309 CA GLY A 20 2.501 11.942 4.477 1.00 0.00 C ATOM 310 C GLY A 20 1.891 10.564 4.293 1.00 0.00 C ATOM 311 O GLY A 20 1.523 9.887 5.232 1.00 0.00 O ATOM 0 H GLY A 20 0.493 12.496 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.131 12.208 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.132 11.975 5.365 1.00 0.00 H new ATOM 315 N GLN A 22 1.748 10.184 3.077 1.00 0.00 N ATOM 316 CA GLN A 22 1.134 8.907 2.722 1.00 0.00 C ATOM 317 C GLN A 22 1.979 7.775 3.257 1.00 0.00 C ATOM 318 O GLN A 22 2.393 7.796 4.399 1.00 0.00 O ATOM 319 CB GLN A 22 1.138 8.864 1.216 1.00 0.00 C ATOM 320 CG GLN A 22 0.475 10.132 0.677 1.00 0.00 C ATOM 321 CD GLN A 22 1.177 10.570 -0.609 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.099 11.721 -0.995 1.00 0.00 O ATOM 323 NE2 GLN A 22 1.864 9.698 -1.296 1.00 0.00 N ATOM 0 H GLN A 22 2.048 10.738 2.275 1.00 0.00 H new ATOM 0 HA GLN A 22 0.129 8.809 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.160 8.787 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.604 7.982 0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.581 9.948 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.528 10.927 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.930 8.733 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.335 9.982 -2.155 1.00 0.00 H new ATOM 332 N LEU A 23 2.186 6.762 2.502 1.00 0.00 N ATOM 333 CA LEU A 23 2.939 5.625 3.061 1.00 0.00 C ATOM 334 C LEU A 23 4.367 5.526 2.574 1.00 0.00 C ATOM 335 O LEU A 23 4.620 5.078 1.473 1.00 0.00 O ATOM 336 CB LEU A 23 2.310 4.317 2.630 1.00 0.00 C ATOM 337 CG LEU A 23 0.888 4.164 3.122 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.438 2.783 2.652 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.827 4.212 4.656 1.00 0.00 C ATOM 0 H LEU A 23 1.875 6.664 1.535 1.00 0.00 H new ATOM 0 HA LEU A 23 2.919 5.797 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.323 4.253 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.911 3.488 3.005 1.00 0.00 H new ATOM 0 HG LEU A 23 0.258 4.968 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.588 2.605 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.489 2.734 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.091 2.022 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.207 4.100 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.428 3.402 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.216 5.168 5.006 1.00 0.00 H new ATOM 351 N SER A 24 5.307 5.749 3.428 1.00 0.00 N ATOM 352 CA SER A 24 6.680 5.439 3.010 1.00 0.00 C ATOM 353 C SER A 24 6.648 3.926 3.177 1.00 0.00 C ATOM 354 O SER A 24 5.764 3.437 3.846 1.00 0.00 O ATOM 355 CB SER A 24 7.704 6.079 3.953 1.00 0.00 C ATOM 356 OG SER A 24 7.125 6.234 5.242 1.00 0.00 O ATOM 0 H SER A 24 5.190 6.122 4.370 1.00 0.00 H new ATOM 0 HA SER A 24 6.962 5.797 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.597 5.456 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.018 7.048 3.564 1.00 0.00 H new ATOM 0 HG SER A 24 7.779 6.642 5.847 1.00 0.00 H new ATOM 362 N LYS A 25 7.486 3.138 2.594 1.00 0.00 N ATOM 363 CA LYS A 25 7.276 1.695 2.819 1.00 0.00 C ATOM 364 C LYS A 25 7.234 1.377 4.315 1.00 0.00 C ATOM 365 O LYS A 25 6.778 0.322 4.711 1.00 0.00 O ATOM 366 CB LYS A 25 8.359 0.879 2.123 1.00 0.00 C ATOM 367 CG LYS A 25 7.851 0.203 0.830 1.00 0.00 C ATOM 368 CD LYS A 25 6.471 0.699 0.355 1.00 0.00 C ATOM 369 CE LYS A 25 6.617 2.025 -0.396 1.00 0.00 C ATOM 370 NZ LYS A 25 5.941 3.116 0.365 1.00 0.00 N ATOM 0 H LYS A 25 8.270 3.408 2.000 1.00 0.00 H new ATOM 0 HA LYS A 25 6.313 1.421 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.201 1.528 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.730 0.116 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.578 0.372 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.801 -0.874 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.012 -0.047 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.808 0.828 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.672 2.263 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.181 1.939 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.237 3.580 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.466 2.715 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.648 3.815 0.672 1.00 0.00 H new ATOM 384 N GLU A 26 7.663 2.270 5.157 1.00 0.00 N ATOM 385 CA GLU A 26 7.585 1.979 6.612 1.00 0.00 C ATOM 386 C GLU A 26 6.117 1.720 6.971 1.00 0.00 C ATOM 387 O GLU A 26 5.807 0.854 7.754 1.00 0.00 O ATOM 388 CB GLU A 26 8.109 3.178 7.408 1.00 0.00 C ATOM 389 CG GLU A 26 7.785 2.992 8.892 1.00 0.00 C ATOM 390 CD GLU A 26 8.012 4.312 9.630 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.983 4.980 9.319 1.00 0.00 O ATOM 392 OE2 GLU A 26 7.210 4.633 10.491 1.00 0.00 O ATOM 0 H GLU A 26 8.059 3.176 4.907 1.00 0.00 H new ATOM 0 HA GLU A 26 8.191 1.106 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.186 3.276 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.656 4.098 7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.751 2.668 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.415 2.211 9.318 1.00 0.00 H new ATOM 399 N GLU A 27 5.220 2.483 6.400 1.00 0.00 N ATOM 400 CA GLU A 27 3.762 2.320 6.687 1.00 0.00 C ATOM 401 C GLU A 27 3.104 1.313 5.723 1.00 0.00 C ATOM 402 O GLU A 27 2.060 0.765 6.020 1.00 0.00 O ATOM 403 CB GLU A 27 3.085 3.680 6.518 1.00 0.00 C ATOM 404 CG GLU A 27 3.937 4.759 7.188 1.00 0.00 C ATOM 405 CD GLU A 27 3.032 5.878 7.705 1.00 0.00 C ATOM 406 OE1 GLU A 27 2.646 6.715 6.907 1.00 0.00 O ATOM 407 OE2 GLU A 27 2.742 5.879 8.889 1.00 0.00 O ATOM 0 H GLU A 27 5.440 3.225 5.736 1.00 0.00 H new ATOM 0 HA GLU A 27 3.646 1.942 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.959 3.906 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.089 3.660 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.506 4.328 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.659 5.160 6.477 1.00 0.00 H new ATOM 414 N LEU A 28 3.676 1.074 4.569 1.00 0.00 N ATOM 415 CA LEU A 28 3.039 0.120 3.611 1.00 0.00 C ATOM 416 C LEU A 28 3.386 -1.328 3.982 1.00 0.00 C ATOM 417 O LEU A 28 2.522 -2.110 4.311 1.00 0.00 O ATOM 418 CB LEU A 28 3.535 0.424 2.198 1.00 0.00 C ATOM 419 CG LEU A 28 2.428 0.154 1.176 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.689 0.981 -0.086 1.00 0.00 C ATOM 421 CD2 LEU A 28 2.423 -1.331 0.812 1.00 0.00 C ATOM 0 H LEU A 28 4.549 1.494 4.251 1.00 0.00 H new ATOM 0 HA LEU A 28 1.956 0.238 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.853 1.465 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.406 -0.190 1.971 1.00 0.00 H new ATOM 0 HG LEU A 28 1.464 0.430 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.902 0.790 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.698 2.041 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.653 0.702 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.635 -1.525 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.387 -1.604 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.243 -1.925 1.708 1.00 0.00 H new ATOM 433 N LYS A 29 4.641 -1.696 3.916 1.00 0.00 N ATOM 434 CA LYS A 29 5.033 -3.100 4.250 1.00 0.00 C ATOM 435 C LYS A 29 4.262 -3.587 5.478 1.00 0.00 C ATOM 436 O LYS A 29 4.032 -4.767 5.647 1.00 0.00 O ATOM 437 CB LYS A 29 6.534 -3.150 4.543 1.00 0.00 C ATOM 438 CG LYS A 29 7.142 -4.396 3.898 1.00 0.00 C ATOM 439 CD LYS A 29 8.664 -4.244 3.836 1.00 0.00 C ATOM 440 CE LYS A 29 9.210 -5.006 2.627 1.00 0.00 C ATOM 441 NZ LYS A 29 9.377 -4.068 1.482 1.00 0.00 N ATOM 0 H LYS A 29 5.411 -1.085 3.645 1.00 0.00 H new ATOM 0 HA LYS A 29 4.797 -3.745 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.020 -2.254 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.704 -3.166 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.877 -5.283 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.738 -4.534 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.931 -3.190 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.115 -4.625 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.166 -5.467 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.529 -5.812 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.748 -4.586 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.457 -3.648 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.043 -3.314 1.745 1.00 0.00 H new ATOM 455 N LEU A 30 3.858 -2.693 6.333 1.00 0.00 N ATOM 456 CA LEU A 30 3.098 -3.116 7.544 1.00 0.00 C ATOM 457 C LEU A 30 1.645 -3.368 7.156 1.00 0.00 C ATOM 458 O LEU A 30 1.161 -4.481 7.199 1.00 0.00 O ATOM 459 CB LEU A 30 3.151 -2.015 8.602 1.00 0.00 C ATOM 460 CG LEU A 30 4.496 -1.294 8.536 1.00 0.00 C ATOM 461 CD1 LEU A 30 4.551 -0.246 9.650 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.627 -2.305 8.736 1.00 0.00 C ATOM 0 H LEU A 30 4.019 -1.689 6.248 1.00 0.00 H new ATOM 0 HA LEU A 30 3.541 -4.026 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.340 -1.305 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.007 -2.444 9.594 1.00 0.00 H new ATOM 0 HG LEU A 30 4.610 -0.812 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.508 0.275 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.741 0.471 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.443 -0.737 10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.587 -1.791 8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.519 -2.784 9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.582 -3.061 7.952 1.00 0.00 H new ATOM 474 N LEU A 31 0.948 -2.338 6.762 1.00 0.00 N ATOM 475 CA LEU A 31 -0.470 -2.504 6.352 1.00 0.00 C ATOM 476 C LEU A 31 -0.605 -3.738 5.452 1.00 0.00 C ATOM 477 O LEU A 31 -1.665 -4.319 5.332 1.00 0.00 O ATOM 478 CB LEU A 31 -0.898 -1.254 5.582 1.00 0.00 C ATOM 479 CG LEU A 31 -2.275 -1.472 4.958 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.116 -0.213 5.152 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.114 -1.753 3.460 1.00 0.00 C ATOM 0 H LEU A 31 1.304 -1.384 6.707 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.102 -2.638 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.925 -0.395 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.169 -1.028 4.804 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.767 -2.319 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.101 -0.361 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.224 -0.008 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.624 0.631 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.095 -1.909 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.627 -0.904 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.505 -2.646 3.321 1.00 0.00 H new ATOM 493 N LEU A 32 0.461 -4.132 4.807 1.00 0.00 N ATOM 494 CA LEU A 32 0.405 -5.309 3.902 1.00 0.00 C ATOM 495 C LEU A 32 0.490 -6.619 4.701 1.00 0.00 C ATOM 496 O LEU A 32 -0.278 -7.533 4.492 1.00 0.00 O ATOM 497 CB LEU A 32 1.591 -5.234 2.938 1.00 0.00 C ATOM 498 CG LEU A 32 1.079 -5.094 1.505 1.00 0.00 C ATOM 499 CD1 LEU A 32 0.466 -6.419 1.048 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.021 -3.990 1.453 1.00 0.00 C ATOM 0 H LEU A 32 1.374 -3.682 4.871 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.540 -5.297 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.226 -4.386 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.204 -6.130 3.030 1.00 0.00 H new ATOM 0 HG LEU A 32 1.906 -4.836 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.101 -6.318 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.223 -7.203 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.363 -6.682 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.347 -3.887 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.807 -4.248 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.462 -3.047 1.777 1.00 0.00 H new ATOM 512 N GLN A 33 1.440 -6.726 5.587 1.00 0.00 N ATOM 513 CA GLN A 33 1.614 -7.991 6.369 1.00 0.00 C ATOM 514 C GLN A 33 0.401 -8.305 7.255 1.00 0.00 C ATOM 515 O GLN A 33 0.102 -9.455 7.509 1.00 0.00 O ATOM 516 CB GLN A 33 2.852 -7.860 7.258 1.00 0.00 C ATOM 517 CG GLN A 33 2.656 -6.716 8.255 1.00 0.00 C ATOM 518 CD GLN A 33 3.629 -6.888 9.424 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.186 -7.951 9.616 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.857 -5.879 10.221 1.00 0.00 N ATOM 0 H GLN A 33 2.110 -5.989 5.807 1.00 0.00 H new ATOM 0 HA GLN A 33 1.723 -8.807 5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.028 -8.794 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.733 -7.673 6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.826 -5.758 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.629 -6.709 8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.390 -4.987 10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.502 -5.983 11.004 1.00 0.00 H new ATOM 529 N THR A 34 -0.278 -7.317 7.761 1.00 0.00 N ATOM 530 CA THR A 34 -1.436 -7.617 8.665 1.00 0.00 C ATOM 531 C THR A 34 -2.767 -7.634 7.903 1.00 0.00 C ATOM 532 O THR A 34 -3.321 -8.681 7.631 1.00 0.00 O ATOM 533 CB THR A 34 -1.513 -6.576 9.793 1.00 0.00 C ATOM 534 OG1 THR A 34 -2.874 -6.359 10.142 1.00 0.00 O ATOM 535 CG2 THR A 34 -0.890 -5.254 9.344 1.00 0.00 C ATOM 0 H THR A 34 -0.091 -6.328 7.596 1.00 0.00 H new ATOM 0 HA THR A 34 -1.269 -8.609 9.084 1.00 0.00 H new ATOM 0 HB THR A 34 -0.962 -6.951 10.655 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.925 -5.697 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.953 -4.528 10.155 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.156 -5.415 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.428 -4.875 8.475 1.00 0.00 H new ATOM 543 N GLU A 35 -3.305 -6.486 7.593 1.00 0.00 N ATOM 544 CA GLU A 35 -4.625 -6.434 6.891 1.00 0.00 C ATOM 545 C GLU A 35 -4.535 -7.000 5.468 1.00 0.00 C ATOM 546 O GLU A 35 -5.509 -7.003 4.743 1.00 0.00 O ATOM 547 CB GLU A 35 -5.095 -4.980 6.812 1.00 0.00 C ATOM 548 CG GLU A 35 -4.867 -4.289 8.158 1.00 0.00 C ATOM 549 CD GLU A 35 -3.689 -3.320 8.038 1.00 0.00 C ATOM 550 OE1 GLU A 35 -3.798 -2.380 7.269 1.00 0.00 O ATOM 551 OE2 GLU A 35 -2.698 -3.536 8.715 1.00 0.00 O ATOM 0 H GLU A 35 -2.888 -5.577 7.795 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.330 -7.042 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.552 -4.455 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.152 -4.943 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.766 -3.751 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.665 -5.031 8.931 1.00 0.00 H new ATOM 558 N PHE A 36 -3.394 -7.465 5.044 1.00 0.00 N ATOM 559 CA PHE A 36 -3.302 -7.999 3.656 1.00 0.00 C ATOM 560 C PHE A 36 -2.287 -9.147 3.589 1.00 0.00 C ATOM 561 O PHE A 36 -1.228 -8.998 3.013 1.00 0.00 O ATOM 562 CB PHE A 36 -2.848 -6.871 2.734 1.00 0.00 C ATOM 563 CG PHE A 36 -4.032 -6.034 2.310 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.213 -6.647 1.873 1.00 0.00 C ATOM 565 CD2 PHE A 36 -3.944 -4.638 2.357 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.305 -5.861 1.481 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.035 -3.853 1.966 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.215 -4.462 1.529 1.00 0.00 C ATOM 0 H PHE A 36 -2.532 -7.499 5.589 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.276 -8.378 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.116 -6.246 3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.354 -7.286 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.282 -7.724 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.033 -4.166 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.216 -6.332 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.965 -2.776 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.057 -3.856 1.229 1.00 0.00 H new ATOM 578 N PRO A 37 -2.641 -10.264 4.168 1.00 0.00 N ATOM 579 CA PRO A 37 -1.768 -11.455 4.181 1.00 0.00 C ATOM 580 C PRO A 37 -1.716 -12.075 2.793 1.00 0.00 C ATOM 581 O PRO A 37 -0.673 -12.196 2.181 1.00 0.00 O ATOM 582 CB PRO A 37 -2.480 -12.432 5.113 1.00 0.00 C ATOM 583 CG PRO A 37 -3.946 -11.956 5.186 1.00 0.00 C ATOM 584 CD PRO A 37 -3.937 -10.452 4.851 1.00 0.00 C ATOM 0 HA PRO A 37 -0.751 -11.215 4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.419 -13.451 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.020 -12.434 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.568 -12.507 4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.361 -12.129 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.774 -10.178 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.011 -9.839 5.749 1.00 0.00 H new ATOM 592 N SER A 38 -2.855 -12.503 2.319 1.00 0.00 N ATOM 593 CA SER A 38 -2.929 -13.157 1.000 1.00 0.00 C ATOM 594 C SER A 38 -1.992 -12.454 0.016 1.00 0.00 C ATOM 595 O SER A 38 -1.419 -13.069 -0.861 1.00 0.00 O ATOM 596 CB SER A 38 -4.365 -13.093 0.475 1.00 0.00 C ATOM 597 OG SER A 38 -5.144 -14.097 1.112 1.00 0.00 O ATOM 0 H SER A 38 -3.748 -12.421 2.806 1.00 0.00 H new ATOM 0 HA SER A 38 -2.625 -14.199 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.791 -12.109 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.376 -13.239 -0.605 1.00 0.00 H new ATOM 0 HG SER A 38 -6.065 -14.057 0.779 1.00 0.00 H new ATOM 603 N LEU A 39 -1.834 -11.164 0.155 1.00 0.00 N ATOM 604 CA LEU A 39 -0.935 -10.417 -0.770 1.00 0.00 C ATOM 605 C LEU A 39 0.486 -10.973 -0.656 1.00 0.00 C ATOM 606 O LEU A 39 1.064 -11.425 -1.625 1.00 0.00 O ATOM 607 CB LEU A 39 -0.937 -8.933 -0.399 1.00 0.00 C ATOM 608 CG LEU A 39 -1.960 -8.191 -1.260 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.913 -6.698 -0.934 1.00 0.00 C ATOM 610 CD2 LEU A 39 -1.627 -8.394 -2.739 1.00 0.00 C ATOM 0 H LEU A 39 -2.289 -10.596 0.870 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.289 -10.532 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.179 -8.812 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.056 -8.509 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.957 -8.581 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.642 -6.169 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.148 -6.548 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.915 -6.312 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.357 -7.865 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.630 -8.005 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.657 -9.457 -2.976 1.00 0.00 H new ATOM 622 N LEU A 40 1.056 -10.952 0.520 1.00 0.00 N ATOM 623 CA LEU A 40 2.439 -11.490 0.682 1.00 0.00 C ATOM 624 C LEU A 40 2.357 -12.941 1.157 1.00 0.00 C ATOM 625 O LEU A 40 3.204 -13.416 1.889 1.00 0.00 O ATOM 626 CB LEU A 40 3.220 -10.666 1.712 1.00 0.00 C ATOM 627 CG LEU A 40 2.626 -9.262 1.824 1.00 0.00 C ATOM 628 CD1 LEU A 40 1.704 -9.203 3.039 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.758 -8.247 1.995 1.00 0.00 C ATOM 0 H LEU A 40 0.627 -10.588 1.371 1.00 0.00 H new ATOM 0 HA LEU A 40 2.955 -11.434 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.189 -11.160 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.268 -10.603 1.419 1.00 0.00 H new ATOM 0 HG LEU A 40 2.060 -9.028 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.277 -8.204 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.902 -9.931 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.274 -9.432 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.338 -7.244 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.321 -8.478 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.423 -8.294 1.132 1.00 0.00 H new ATOM 641 N LYS A 41 1.343 -13.650 0.745 1.00 0.00 N ATOM 642 CA LYS A 41 1.204 -15.068 1.172 1.00 0.00 C ATOM 643 C LYS A 41 1.504 -15.990 -0.014 1.00 0.00 C ATOM 644 O LYS A 41 0.815 -16.963 -0.244 1.00 0.00 O ATOM 645 CB LYS A 41 -0.225 -15.316 1.663 1.00 0.00 C ATOM 646 CG LYS A 41 -0.322 -16.728 2.246 1.00 0.00 C ATOM 647 CD LYS A 41 -1.300 -17.560 1.415 1.00 0.00 C ATOM 648 CE LYS A 41 -0.765 -18.986 1.274 1.00 0.00 C ATOM 649 NZ LYS A 41 -0.719 -19.360 -0.169 1.00 0.00 N ATOM 0 H LYS A 41 0.605 -13.307 0.130 1.00 0.00 H new ATOM 0 HA LYS A 41 1.906 -15.275 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.495 -14.579 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.930 -15.201 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.661 -17.199 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.657 -16.682 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.280 -17.573 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.431 -17.111 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.231 -19.057 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.403 -19.681 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.262 -20.288 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.687 -19.407 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.176 -18.646 -0.696 1.00 0.00 H new ATOM 663 N GLY A 42 2.527 -15.691 -0.769 1.00 0.00 N ATOM 664 CA GLY A 42 2.866 -16.552 -1.939 1.00 0.00 C ATOM 665 C GLY A 42 3.500 -15.699 -3.039 1.00 0.00 C ATOM 666 O GLY A 42 4.609 -15.950 -3.469 1.00 0.00 O ATOM 0 H GLY A 42 3.142 -14.889 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.554 -17.341 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.967 -17.040 -2.316 1.00 0.00 H new ATOM 670 N MET A 43 2.807 -14.692 -3.500 1.00 0.00 N ATOM 671 CA MET A 43 3.373 -13.825 -4.573 1.00 0.00 C ATOM 672 C MET A 43 4.664 -13.169 -4.068 1.00 0.00 C ATOM 673 O MET A 43 5.422 -13.765 -3.329 1.00 0.00 O ATOM 674 CB MET A 43 2.359 -12.738 -4.942 1.00 0.00 C ATOM 675 CG MET A 43 0.978 -13.365 -5.148 1.00 0.00 C ATOM 676 SD MET A 43 -0.210 -12.585 -4.027 1.00 0.00 S ATOM 677 CE MET A 43 -0.946 -14.105 -3.377 1.00 0.00 C ATOM 0 H MET A 43 1.874 -14.433 -3.180 1.00 0.00 H new ATOM 0 HA MET A 43 3.591 -14.430 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.314 -11.987 -4.153 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.675 -12.226 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.658 -13.235 -6.182 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.022 -14.438 -4.960 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.957 -13.898 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.982 -14.858 -4.165 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.343 -14.476 -2.548 1.00 0.00 H new ATOM 687 N SER A 44 4.922 -11.946 -4.454 1.00 0.00 N ATOM 688 CA SER A 44 6.160 -11.268 -3.985 1.00 0.00 C ATOM 689 C SER A 44 5.875 -9.779 -3.801 1.00 0.00 C ATOM 690 O SER A 44 6.619 -8.935 -4.255 1.00 0.00 O ATOM 691 CB SER A 44 7.273 -11.451 -5.018 1.00 0.00 C ATOM 692 OG SER A 44 6.699 -11.819 -6.267 1.00 0.00 O ATOM 0 H SER A 44 4.329 -11.392 -5.072 1.00 0.00 H new ATOM 0 HA SER A 44 6.477 -11.703 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.842 -10.527 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.971 -12.219 -4.685 1.00 0.00 H new ATOM 0 HG SER A 44 7.409 -11.935 -6.932 1.00 0.00 H new ATOM 698 N THR A 45 4.798 -9.453 -3.138 1.00 0.00 N ATOM 699 CA THR A 45 4.451 -8.018 -2.924 1.00 0.00 C ATOM 700 C THR A 45 5.586 -7.308 -2.197 1.00 0.00 C ATOM 701 O THR A 45 5.657 -6.095 -2.155 1.00 0.00 O ATOM 702 CB THR A 45 3.173 -7.913 -2.090 1.00 0.00 C ATOM 703 OG1 THR A 45 2.601 -9.203 -1.921 1.00 0.00 O ATOM 704 CG2 THR A 45 2.175 -7.000 -2.798 1.00 0.00 C ATOM 0 H THR A 45 4.141 -10.121 -2.734 1.00 0.00 H new ATOM 0 HA THR A 45 4.294 -7.546 -3.894 1.00 0.00 H new ATOM 0 HB THR A 45 3.415 -7.497 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.698 -9.213 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.265 -6.926 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.611 -6.009 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.936 -7.413 -3.778 1.00 0.00 H new ATOM 712 N LEU A 46 6.468 -8.056 -1.628 1.00 0.00 N ATOM 713 CA LEU A 46 7.611 -7.446 -0.894 1.00 0.00 C ATOM 714 C LEU A 46 8.225 -6.327 -1.742 1.00 0.00 C ATOM 715 O LEU A 46 7.888 -5.168 -1.590 1.00 0.00 O ATOM 716 CB LEU A 46 8.662 -8.522 -0.617 1.00 0.00 C ATOM 717 CG LEU A 46 8.061 -9.591 0.298 1.00 0.00 C ATOM 718 CD1 LEU A 46 7.941 -10.913 -0.464 1.00 0.00 C ATOM 719 CD2 LEU A 46 8.964 -9.783 1.516 1.00 0.00 C ATOM 0 H LEU A 46 6.454 -9.076 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 46 7.262 -7.028 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.994 -8.972 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.540 -8.077 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 46 7.071 -9.273 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.513 -11.672 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.296 -10.776 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.929 -11.234 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.537 -10.544 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.954 -10.100 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.045 -8.842 2.060 1.00 0.00 H new ATOM 731 N ASP A 47 9.108 -6.665 -2.645 1.00 0.00 N ATOM 732 CA ASP A 47 9.722 -5.636 -3.529 1.00 0.00 C ATOM 733 C ASP A 47 8.825 -5.447 -4.726 1.00 0.00 C ATOM 734 O ASP A 47 9.220 -5.614 -5.865 1.00 0.00 O ATOM 735 CB ASP A 47 11.070 -6.093 -4.019 1.00 0.00 C ATOM 736 CG ASP A 47 12.177 -5.413 -3.213 1.00 0.00 C ATOM 737 OD1 ASP A 47 11.920 -5.059 -2.074 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.262 -5.256 -3.747 1.00 0.00 O ATOM 0 H ASP A 47 9.431 -7.619 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 47 9.841 -4.709 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.153 -7.176 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.181 -5.856 -5.077 1.00 0.00 H new ATOM 743 N GLU A 48 7.623 -5.154 -4.466 1.00 0.00 N ATOM 744 CA GLU A 48 6.637 -4.998 -5.523 1.00 0.00 C ATOM 745 C GLU A 48 5.795 -3.785 -5.184 1.00 0.00 C ATOM 746 O GLU A 48 5.833 -2.784 -5.858 1.00 0.00 O ATOM 747 CB GLU A 48 5.808 -6.270 -5.508 1.00 0.00 C ATOM 748 CG GLU A 48 5.798 -6.909 -6.894 1.00 0.00 C ATOM 749 CD GLU A 48 4.724 -6.251 -7.763 1.00 0.00 C ATOM 750 OE1 GLU A 48 4.083 -5.331 -7.283 1.00 0.00 O ATOM 751 OE2 GLU A 48 4.560 -6.679 -8.894 1.00 0.00 O ATOM 0 H GLU A 48 7.261 -5.008 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 48 7.073 -4.849 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.217 -6.970 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.788 -6.044 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.776 -6.798 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.605 -7.978 -6.810 1.00 0.00 H new ATOM 758 N LEU A 49 5.073 -3.859 -4.114 1.00 0.00 N ATOM 759 CA LEU A 49 4.258 -2.699 -3.681 1.00 0.00 C ATOM 760 C LEU A 49 5.209 -1.530 -3.406 1.00 0.00 C ATOM 761 O LEU A 49 4.830 -0.378 -3.468 1.00 0.00 O ATOM 762 CB LEU A 49 3.507 -3.056 -2.397 1.00 0.00 C ATOM 763 CG LEU A 49 4.513 -3.474 -1.319 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.907 -2.256 -0.484 1.00 0.00 C ATOM 765 CD2 LEU A 49 3.877 -4.528 -0.409 1.00 0.00 C ATOM 0 H LEU A 49 5.010 -4.680 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 49 3.536 -2.431 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.924 -2.201 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.803 -3.866 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 49 5.401 -3.890 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.622 -2.556 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.360 -1.504 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.020 -1.839 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.592 -4.826 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.989 -4.111 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.597 -5.399 -1.002 1.00 0.00 H new ATOM 777 N PHE A 50 6.451 -1.826 -3.105 1.00 0.00 N ATOM 778 CA PHE A 50 7.434 -0.738 -2.831 1.00 0.00 C ATOM 779 C PHE A 50 7.883 -0.122 -4.146 1.00 0.00 C ATOM 780 O PHE A 50 7.564 1.006 -4.462 1.00 0.00 O ATOM 781 CB PHE A 50 8.638 -1.323 -2.096 1.00 0.00 C ATOM 782 CG PHE A 50 9.791 -0.343 -2.111 1.00 0.00 C ATOM 783 CD1 PHE A 50 9.541 1.031 -2.203 1.00 0.00 C ATOM 784 CD2 PHE A 50 11.108 -0.810 -2.030 1.00 0.00 C ATOM 785 CE1 PHE A 50 10.608 1.938 -2.212 1.00 0.00 C ATOM 786 CE2 PHE A 50 12.175 0.096 -2.039 1.00 0.00 C ATOM 787 CZ PHE A 50 11.925 1.470 -2.131 1.00 0.00 C ATOM 0 H PHE A 50 6.823 -2.773 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 50 6.972 0.032 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.365 -1.558 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.941 -2.258 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.525 1.392 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.301 -1.870 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.415 2.998 -2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.191 -0.265 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.748 2.169 -2.140 1.00 0.00 H new ATOM 797 N GLU A 51 8.614 -0.866 -4.915 1.00 0.00 N ATOM 798 CA GLU A 51 9.091 -0.350 -6.231 1.00 0.00 C ATOM 799 C GLU A 51 7.880 0.022 -7.091 1.00 0.00 C ATOM 800 O GLU A 51 7.998 0.694 -8.096 1.00 0.00 O ATOM 801 CB GLU A 51 9.912 -1.436 -6.937 1.00 0.00 C ATOM 802 CG GLU A 51 9.093 -2.726 -7.020 1.00 0.00 C ATOM 803 CD GLU A 51 9.232 -3.327 -8.420 1.00 0.00 C ATOM 804 OE1 GLU A 51 10.259 -3.928 -8.685 1.00 0.00 O ATOM 805 OE2 GLU A 51 8.310 -3.174 -9.202 1.00 0.00 O ATOM 0 H GLU A 51 8.907 -1.817 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 51 9.715 0.530 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.189 -1.104 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.839 -1.616 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.439 -3.438 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.045 -2.519 -6.804 1.00 0.00 H new ATOM 812 N GLU A 52 6.714 -0.413 -6.696 1.00 0.00 N ATOM 813 CA GLU A 52 5.481 -0.097 -7.471 1.00 0.00 C ATOM 814 C GLU A 52 5.263 1.420 -7.526 1.00 0.00 C ATOM 815 O GLU A 52 4.846 1.959 -8.531 1.00 0.00 O ATOM 816 CB GLU A 52 4.279 -0.738 -6.775 1.00 0.00 C ATOM 817 CG GLU A 52 3.969 -2.098 -7.408 1.00 0.00 C ATOM 818 CD GLU A 52 2.993 -1.916 -8.571 1.00 0.00 C ATOM 819 OE1 GLU A 52 1.944 -1.334 -8.353 1.00 0.00 O ATOM 820 OE2 GLU A 52 3.309 -2.365 -9.661 1.00 0.00 O ATOM 0 H GLU A 52 6.562 -0.979 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 52 5.589 -0.483 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.487 -0.862 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.411 -0.084 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.889 -2.563 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.540 -2.767 -6.662 1.00 0.00 H new ATOM 827 N LEU A 53 5.527 2.111 -6.447 1.00 0.00 N ATOM 828 CA LEU A 53 5.323 3.574 -6.422 1.00 0.00 C ATOM 829 C LEU A 53 6.684 4.262 -6.421 1.00 0.00 C ATOM 830 O LEU A 53 6.815 5.414 -6.773 1.00 0.00 O ATOM 831 CB LEU A 53 4.568 3.926 -5.146 1.00 0.00 C ATOM 832 CG LEU A 53 3.065 3.710 -5.352 1.00 0.00 C ATOM 833 CD1 LEU A 53 2.609 4.419 -6.626 1.00 0.00 C ATOM 834 CD2 LEU A 53 2.782 2.209 -5.478 1.00 0.00 C ATOM 0 H LEU A 53 5.879 1.711 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 53 4.755 3.901 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.923 3.308 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.761 4.964 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 53 2.522 4.118 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.540 4.262 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.811 5.487 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.151 4.015 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.713 2.051 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.329 1.806 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.102 1.701 -4.568 1.00 0.00 H new ATOM 846 N ASP A 54 7.697 3.553 -6.030 1.00 0.00 N ATOM 847 CA ASP A 54 9.068 4.145 -6.016 1.00 0.00 C ATOM 848 C ASP A 54 9.698 3.992 -7.395 1.00 0.00 C ATOM 849 O ASP A 54 10.837 4.341 -7.631 1.00 0.00 O ATOM 850 CB ASP A 54 9.919 3.393 -5.010 1.00 0.00 C ATOM 851 CG ASP A 54 11.288 4.063 -4.883 1.00 0.00 C ATOM 852 OD1 ASP A 54 11.385 5.236 -5.209 1.00 0.00 O ATOM 853 OD2 ASP A 54 12.217 3.393 -4.462 1.00 0.00 O ATOM 0 H ASP A 54 7.641 2.584 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 54 9.008 5.200 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.421 3.376 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.039 2.356 -5.325 1.00 0.00 H new ATOM 858 N LYS A 55 8.947 3.452 -8.287 1.00 0.00 N ATOM 859 CA LYS A 55 9.410 3.216 -9.666 1.00 0.00 C ATOM 860 C LYS A 55 10.279 4.378 -10.183 1.00 0.00 C ATOM 861 O LYS A 55 11.462 4.444 -9.919 1.00 0.00 O ATOM 862 CB LYS A 55 8.191 3.021 -10.584 1.00 0.00 C ATOM 863 CG LYS A 55 6.892 3.682 -10.050 1.00 0.00 C ATOM 864 CD LYS A 55 7.146 5.101 -9.506 1.00 0.00 C ATOM 865 CE LYS A 55 5.811 5.797 -9.264 1.00 0.00 C ATOM 866 NZ LYS A 55 4.852 5.431 -10.344 1.00 0.00 N ATOM 0 H LYS A 55 7.989 3.150 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 55 10.028 2.318 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.419 3.432 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.016 1.954 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.153 3.728 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.468 3.062 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.716 5.050 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.744 5.673 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.409 5.507 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.952 6.878 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.079 6.126 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.346 5.425 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.461 4.486 -10.156 1.00 0.00 H new ATOM 880 N ASN A 56 9.707 5.269 -10.949 1.00 0.00 N ATOM 881 CA ASN A 56 10.496 6.402 -11.527 1.00 0.00 C ATOM 882 C ASN A 56 10.734 7.450 -10.443 1.00 0.00 C ATOM 883 O ASN A 56 11.838 7.920 -10.251 1.00 0.00 O ATOM 884 CB ASN A 56 9.708 7.090 -12.659 1.00 0.00 C ATOM 885 CG ASN A 56 8.538 6.221 -13.114 1.00 0.00 C ATOM 886 OD1 ASN A 56 8.635 5.495 -14.083 1.00 0.00 O ATOM 887 ND2 ASN A 56 7.424 6.274 -12.436 1.00 0.00 N ATOM 0 H ASN A 56 8.719 5.262 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 56 11.434 6.002 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.337 8.055 -12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.371 7.285 -13.502 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.627 5.703 -12.719 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.350 6.886 -11.623 1.00 0.00 H new ATOM 894 N GLY A 57 9.703 7.831 -9.739 1.00 0.00 N ATOM 895 CA GLY A 57 9.877 8.860 -8.680 1.00 0.00 C ATOM 896 C GLY A 57 8.547 9.115 -7.969 1.00 0.00 C ATOM 897 O GLY A 57 7.933 10.154 -8.122 1.00 0.00 O ATOM 0 H GLY A 57 8.754 7.475 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.625 8.529 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.246 9.786 -9.120 1.00 0.00 H new ATOM 901 N ASP A 58 8.114 8.184 -7.170 1.00 0.00 N ATOM 902 CA ASP A 58 6.852 8.353 -6.414 1.00 0.00 C ATOM 903 C ASP A 58 6.933 7.427 -5.204 1.00 0.00 C ATOM 904 O ASP A 58 5.962 6.831 -4.782 1.00 0.00 O ATOM 905 CB ASP A 58 5.647 8.009 -7.287 1.00 0.00 C ATOM 906 CG ASP A 58 4.384 8.620 -6.675 1.00 0.00 C ATOM 907 OD1 ASP A 58 4.519 9.478 -5.819 1.00 0.00 O ATOM 908 OD2 ASP A 58 3.303 8.219 -7.076 1.00 0.00 O ATOM 0 H ASP A 58 8.592 7.298 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 58 6.725 9.388 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.796 8.390 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.539 6.927 -7.367 1.00 0.00 H new ATOM 913 N GLY A 59 8.118 7.302 -4.655 1.00 0.00 N ATOM 914 CA GLY A 59 8.331 6.415 -3.479 1.00 0.00 C ATOM 915 C GLY A 59 7.187 6.583 -2.490 1.00 0.00 C ATOM 916 O GLY A 59 6.878 5.687 -1.731 1.00 0.00 O ATOM 0 H GLY A 59 8.955 7.786 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.394 5.376 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.278 6.657 -2.997 1.00 0.00 H new ATOM 920 N GLU A 60 6.544 7.713 -2.494 1.00 0.00 N ATOM 921 CA GLU A 60 5.410 7.889 -1.541 1.00 0.00 C ATOM 922 C GLU A 60 4.172 7.254 -2.153 1.00 0.00 C ATOM 923 O GLU A 60 4.017 7.208 -3.357 1.00 0.00 O ATOM 924 CB GLU A 60 5.122 9.366 -1.241 1.00 0.00 C ATOM 925 CG GLU A 60 6.108 10.279 -1.975 1.00 0.00 C ATOM 926 CD GLU A 60 5.987 11.700 -1.420 1.00 0.00 C ATOM 927 OE1 GLU A 60 4.878 12.096 -1.097 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.004 12.368 -1.327 1.00 0.00 O ATOM 0 H GLU A 60 6.745 8.509 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 60 5.680 7.413 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.103 9.610 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.188 9.542 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.126 9.912 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.899 10.275 -3.045 1.00 0.00 H new ATOM 935 N VAL A 61 3.295 6.750 -1.341 1.00 0.00 N ATOM 936 CA VAL A 61 2.078 6.106 -1.893 1.00 0.00 C ATOM 937 C VAL A 61 0.854 6.547 -1.111 1.00 0.00 C ATOM 938 O VAL A 61 0.502 5.975 -0.103 1.00 0.00 O ATOM 939 CB VAL A 61 2.229 4.603 -1.810 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.145 3.928 -2.652 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.605 4.236 -2.354 1.00 0.00 C ATOM 0 H VAL A 61 3.366 6.755 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 61 1.952 6.403 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 61 2.128 4.269 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.257 2.846 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.162 4.213 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.242 4.244 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.739 3.155 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.686 4.565 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.375 4.725 -1.756 1.00 0.00 H new ATOM 951 N SER A 62 0.208 7.555 -1.600 1.00 0.00 N ATOM 952 CA SER A 62 -1.023 8.080 -0.938 1.00 0.00 C ATOM 953 C SER A 62 -2.160 7.096 -1.207 1.00 0.00 C ATOM 954 O SER A 62 -1.932 5.982 -1.622 1.00 0.00 O ATOM 955 CB SER A 62 -1.401 9.428 -1.569 1.00 0.00 C ATOM 956 OG SER A 62 -2.384 9.222 -2.579 1.00 0.00 O ATOM 0 H SER A 62 0.480 8.053 -2.448 1.00 0.00 H new ATOM 0 HA SER A 62 -0.851 8.202 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.786 10.104 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.518 9.901 -1.998 1.00 0.00 H new ATOM 0 HG SER A 62 -2.626 10.083 -2.980 1.00 0.00 H new ATOM 962 N PHE A 63 -3.382 7.505 -1.010 1.00 0.00 N ATOM 963 CA PHE A 63 -4.519 6.586 -1.293 1.00 0.00 C ATOM 964 C PHE A 63 -4.815 6.539 -2.788 1.00 0.00 C ATOM 965 O PHE A 63 -4.837 5.489 -3.398 1.00 0.00 O ATOM 966 CB PHE A 63 -5.780 7.060 -0.597 1.00 0.00 C ATOM 967 CG PHE A 63 -6.690 5.890 -0.654 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.196 4.681 -0.209 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.963 5.977 -1.202 1.00 0.00 C ATOM 970 CE1 PHE A 63 -6.959 3.542 -0.277 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.744 4.827 -1.290 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.237 3.596 -0.818 1.00 0.00 C ATOM 0 H PHE A 63 -3.642 8.430 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.231 5.600 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.579 7.358 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.212 7.925 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.197 4.630 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.343 6.924 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.566 2.605 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.734 4.876 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.840 2.702 -0.877 1.00 0.00 H new ATOM 982 N GLU A 64 -5.093 7.644 -3.395 1.00 0.00 N ATOM 983 CA GLU A 64 -5.419 7.573 -4.835 1.00 0.00 C ATOM 984 C GLU A 64 -4.239 6.933 -5.605 1.00 0.00 C ATOM 985 O GLU A 64 -4.439 6.242 -6.570 1.00 0.00 O ATOM 986 CB GLU A 64 -5.763 8.966 -5.340 1.00 0.00 C ATOM 987 CG GLU A 64 -7.101 9.368 -4.710 1.00 0.00 C ATOM 988 CD GLU A 64 -7.488 10.775 -5.173 1.00 0.00 C ATOM 989 OE1 GLU A 64 -7.511 10.997 -6.372 1.00 0.00 O ATOM 990 OE2 GLU A 64 -7.754 11.606 -4.321 1.00 0.00 O ATOM 0 H GLU A 64 -5.110 8.572 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.290 6.940 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.982 9.676 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.834 8.973 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.876 8.656 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.025 9.341 -3.623 1.00 0.00 H new ATOM 997 N GLU A 65 -3.017 7.100 -5.160 1.00 0.00 N ATOM 998 CA GLU A 65 -1.878 6.407 -5.853 1.00 0.00 C ATOM 999 C GLU A 65 -1.890 4.971 -5.351 1.00 0.00 C ATOM 1000 O GLU A 65 -1.528 4.040 -6.041 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.549 7.093 -5.525 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.731 8.609 -5.620 1.00 0.00 C ATOM 1003 CD GLU A 65 -1.425 8.958 -6.938 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.645 8.946 -6.964 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.726 9.233 -7.899 1.00 0.00 O ATOM 0 H GLU A 65 -2.758 7.676 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.988 6.444 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.220 6.816 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.225 6.763 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.323 8.968 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.237 9.106 -5.564 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.419 4.803 -4.176 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.620 3.466 -3.590 1.00 0.00 C ATOM 1014 C PHE A 66 -3.710 2.768 -4.401 1.00 0.00 C ATOM 1015 O PHE A 66 -4.051 1.625 -4.165 1.00 0.00 O ATOM 1016 CB PHE A 66 -3.050 3.691 -2.180 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.631 2.455 -1.614 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -2.809 1.528 -0.983 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -5.001 2.242 -1.714 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.368 0.379 -0.448 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.557 1.093 -1.175 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.743 0.173 -0.550 1.00 0.00 C ATOM 0 H PHE A 66 -2.730 5.571 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.725 2.844 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.197 4.008 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.784 4.496 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.746 1.702 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.629 2.968 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.743 -0.352 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.621 0.920 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.178 -0.723 -0.132 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.227 3.492 -5.372 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.281 2.991 -6.343 1.00 0.00 C ATOM 1034 C GLN A 67 -4.672 1.969 -7.286 1.00 0.00 C ATOM 1035 O GLN A 67 -4.967 1.914 -8.464 1.00 0.00 O ATOM 1036 CB GLN A 67 -5.808 4.147 -7.207 1.00 0.00 C ATOM 1037 CG GLN A 67 -6.686 5.040 -6.348 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.689 4.132 -5.698 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -8.762 3.903 -6.220 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -7.381 3.596 -4.562 1.00 0.00 N ATOM 0 H GLN A 67 -3.951 4.459 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.089 2.551 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.977 4.719 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.377 3.758 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.093 5.566 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.181 5.799 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.477 3.795 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.042 2.974 -4.096 1.00 0.00 H new ATOM 1049 N VAL A 68 -3.832 1.179 -6.760 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.151 0.125 -7.570 1.00 0.00 C ATOM 1051 C VAL A 68 -3.143 -1.211 -6.825 1.00 0.00 C ATOM 1052 O VAL A 68 -3.010 -2.262 -7.419 1.00 0.00 O ATOM 1053 CB VAL A 68 -1.719 0.561 -7.883 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -1.042 1.041 -6.600 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -0.937 -0.621 -8.462 1.00 0.00 C ATOM 0 H VAL A 68 -3.564 1.199 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.700 -0.008 -8.502 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.738 1.372 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.021 1.352 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.597 1.884 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.024 0.229 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.083 -0.308 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.917 -1.434 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.419 -0.963 -9.378 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.329 -1.184 -5.545 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.386 -2.462 -4.766 1.00 0.00 C ATOM 1067 C LEU A 69 -4.838 -2.684 -4.436 1.00 0.00 C ATOM 1068 O LEU A 69 -5.312 -3.788 -4.262 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.597 -2.402 -3.455 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.624 -1.273 -3.555 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.230 -0.792 -2.161 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.380 -1.720 -4.325 1.00 0.00 C ATOM 0 H LEU A 69 -3.446 -0.334 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.945 -3.261 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.270 -2.252 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.074 -3.342 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.096 -0.449 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.521 0.031 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.118 -0.451 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.769 -1.612 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.324 -0.890 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.091 -2.553 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.667 -2.035 -5.328 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.541 -1.597 -4.366 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.987 -1.653 -4.063 1.00 0.00 C ATOM 1086 C VAL A 70 -7.651 -2.496 -5.145 1.00 0.00 C ATOM 1087 O VAL A 70 -8.500 -3.324 -4.877 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.577 -0.232 -4.062 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.524 -0.100 -2.892 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -6.473 0.813 -3.898 1.00 0.00 C ATOM 0 H VAL A 70 -5.168 -0.658 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.158 -2.092 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.092 -0.068 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.949 0.903 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.325 -0.833 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.981 -0.275 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.913 1.810 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.953 0.648 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.765 0.727 -4.722 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.246 -2.304 -6.369 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.818 -3.103 -7.478 1.00 0.00 C ATOM 1102 C LYS A 71 -7.119 -4.465 -7.518 1.00 0.00 C ATOM 1103 O LYS A 71 -7.681 -5.445 -7.965 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.597 -2.370 -8.801 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.698 -0.862 -8.570 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.281 -0.193 -9.817 1.00 0.00 C ATOM 1107 CE LYS A 71 -7.226 -0.170 -10.924 1.00 0.00 C ATOM 1108 NZ LYS A 71 -7.860 -0.527 -12.226 1.00 0.00 N ATOM 0 H LYS A 71 -6.539 -1.623 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.888 -3.243 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.618 -2.622 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.339 -2.687 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.329 -0.657 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.713 -0.450 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.165 -0.735 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.600 0.823 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.773 0.819 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.426 -0.873 -10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.142 -0.511 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.273 -1.479 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.608 0.160 -12.448 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.895 -4.538 -7.053 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.177 -5.843 -7.071 1.00 0.00 C ATOM 1124 C LYS A 72 -5.814 -6.792 -6.052 1.00 0.00 C ATOM 1125 O LYS A 72 -5.573 -7.982 -6.065 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.706 -5.618 -6.711 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.818 -6.488 -7.605 1.00 0.00 C ATOM 1128 CD LYS A 72 -2.617 -5.799 -8.957 1.00 0.00 C ATOM 1129 CE LYS A 72 -2.590 -6.849 -10.071 1.00 0.00 C ATOM 1130 NZ LYS A 72 -3.481 -6.418 -11.185 1.00 0.00 N ATOM 0 H LYS A 72 -5.369 -3.755 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.245 -6.283 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.447 -4.567 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.536 -5.864 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.854 -6.656 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.277 -7.466 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.421 -5.085 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.685 -5.234 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.571 -6.980 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.916 -7.814 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.462 -7.132 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.454 -6.314 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.150 -5.507 -11.561 1.00 0.00 H new ATOM 1144 N ILE A 73 -6.621 -6.275 -5.164 1.00 0.00 N ATOM 1145 CA ILE A 73 -7.261 -7.140 -4.147 1.00 0.00 C ATOM 1146 C ILE A 73 -8.668 -7.533 -4.596 1.00 0.00 C ATOM 1147 O ILE A 73 -9.441 -8.097 -3.847 1.00 0.00 O ATOM 1148 CB ILE A 73 -7.340 -6.370 -2.838 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.929 -6.163 -2.289 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -8.174 -7.160 -1.833 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.838 -4.781 -1.641 1.00 0.00 C ATOM 0 H ILE A 73 -6.862 -5.286 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.672 -8.048 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.808 -5.401 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.693 -6.937 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.197 -6.250 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.231 -6.609 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.179 -7.307 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.709 -8.130 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.833 -4.629 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.056 -4.015 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.560 -4.712 -0.827 1.00 0.00 H new ATOM 1163 N SER A 74 -8.999 -7.225 -5.811 1.00 0.00 N ATOM 1164 CA SER A 74 -10.357 -7.559 -6.342 1.00 0.00 C ATOM 1165 C SER A 74 -10.830 -8.922 -5.819 1.00 0.00 C ATOM 1166 O SER A 74 -12.005 -9.134 -5.600 1.00 0.00 O ATOM 1167 CB SER A 74 -10.311 -7.592 -7.868 1.00 0.00 C ATOM 1168 OG SER A 74 -10.213 -6.263 -8.363 1.00 0.00 O ATOM 0 H SER A 74 -8.385 -6.750 -6.473 1.00 0.00 H new ATOM 0 HA SER A 74 -11.058 -6.795 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.459 -8.182 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.207 -8.073 -8.260 1.00 0.00 H new ATOM 0 HG SER A 74 -9.376 -5.859 -8.051 1.00 0.00 H new ATOM 1174 N GLN A 75 -9.934 -9.849 -5.625 1.00 0.00 N ATOM 1175 CA GLN A 75 -10.349 -11.190 -5.129 1.00 0.00 C ATOM 1176 C GLN A 75 -9.999 -11.326 -3.644 1.00 0.00 C ATOM 1177 O GLN A 75 -10.868 -11.368 -2.797 1.00 0.00 O ATOM 1178 CB GLN A 75 -9.627 -12.271 -5.935 1.00 0.00 C ATOM 1179 CG GLN A 75 -9.903 -12.056 -7.424 1.00 0.00 C ATOM 1180 CD GLN A 75 -9.345 -13.233 -8.225 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -10.088 -14.071 -8.696 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -8.056 -13.331 -8.402 1.00 0.00 N ATOM 1183 OXT GLN A 75 -8.737 -11.399 -3.317 1.00 0.00 O ATOM 0 H GLN A 75 -8.934 -9.736 -5.788 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.426 -11.306 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.555 -12.230 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.969 -13.260 -5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.975 -11.962 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.444 -11.126 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.432 -12.628 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.672 -14.111 -8.936 1.00 0.00 H new TER 1192 GLN A 75