USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 57 LYS NZ :NH3+ 174:sc= -0.433 (180deg=-0.219) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 180:sc= -0.653 (180deg=-0.602) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= -0.0129 (180deg=-0.205) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 80:sc= 0.0815 USER MOD Single : A 19 TYR OH : rot -87:sc= 0.127 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.0157 (180deg=-0.0844) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.0998 (180deg=-0.758) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.067 (180deg=-0.067) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.225 (180deg=-0.417) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.499 F(o=-2.5!,f=-0.5) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.237 F(o=-0.91,f=-0.24) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.0226 (180deg=-2.03!) USER MOD Single : A 52 GLN :FLIP amide:sc= 0.0681 F(o=-1.2,f=0.068) USER MOD Single : A 54 TYR OH : rot -39:sc= 0.0249 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc=-0.00436 (180deg=-0.0985) USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -0.138 (180deg=-0.702) USER MOD Single : A 65 TYR OH : rot 122:sc= 0.285 USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0.85 (180deg=0.822) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.071 (180deg=-0.45) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= -1.62 (180deg=-4.24!) USER MOD Single : A 82 BME O1 : rot -28:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -1.034 -7.186 6.387 1.00 0.00 N ATOM 2 CA ASN A 3 -0.244 -8.261 5.713 1.00 0.00 C ATOM 3 C ASN A 3 -0.347 -8.048 4.193 1.00 0.00 C ATOM 4 O ASN A 3 -1.152 -7.248 3.753 1.00 0.00 O ATOM 5 CB ASN A 3 -0.826 -9.667 6.072 1.00 0.00 C ATOM 6 CG ASN A 3 -1.795 -9.608 7.267 1.00 0.00 C ATOM 7 OD1 ASN A 3 -1.439 -9.255 8.373 1.00 0.00 O ATOM 8 ND2 ASN A 3 -3.039 -9.953 7.065 1.00 0.00 N ATOM 0 HA ASN A 3 0.794 -8.216 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.346 -10.075 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.008 -10.349 6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.707 -9.925 7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.342 -10.250 6.137 1.00 0.00 H new ATOM 15 N ALA A 4 0.457 -8.771 3.445 1.00 0.00 N ATOM 16 CA ALA A 4 0.473 -8.671 1.944 1.00 0.00 C ATOM 17 C ALA A 4 0.193 -7.233 1.422 1.00 0.00 C ATOM 18 O ALA A 4 -0.880 -6.962 0.926 1.00 0.00 O ATOM 19 CB ALA A 4 -0.578 -9.647 1.395 1.00 0.00 C ATOM 0 H ALA A 4 1.122 -9.446 3.823 1.00 0.00 H new ATOM 0 HA ALA A 4 1.474 -8.926 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.589 -9.596 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.331 -10.661 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.561 -9.377 1.780 1.00 0.00 H new ATOM 25 N PRO A 5 1.174 -6.363 1.570 1.00 0.00 N ATOM 26 CA PRO A 5 1.149 -4.934 1.102 1.00 0.00 C ATOM 27 C PRO A 5 0.981 -4.728 -0.426 1.00 0.00 C ATOM 28 O PRO A 5 1.861 -4.188 -1.067 1.00 0.00 O ATOM 29 CB PRO A 5 2.479 -4.349 1.640 1.00 0.00 C ATOM 30 CG PRO A 5 2.858 -5.291 2.801 1.00 0.00 C ATOM 31 CD PRO A 5 2.460 -6.669 2.258 1.00 0.00 C ATOM 0 HA PRO A 5 0.262 -4.425 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.250 -4.335 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.353 -3.322 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.921 -5.239 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.319 -5.044 3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.206 -7.070 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.334 -7.402 3.055 1.00 0.00 H new ATOM 39 N LYS A 6 -0.144 -5.165 -0.940 1.00 0.00 N ATOM 40 CA LYS A 6 -0.533 -5.077 -2.391 1.00 0.00 C ATOM 41 C LYS A 6 0.261 -4.023 -3.153 1.00 0.00 C ATOM 42 O LYS A 6 1.044 -4.283 -4.045 1.00 0.00 O ATOM 43 CB LYS A 6 -2.057 -4.761 -2.477 1.00 0.00 C ATOM 44 CG LYS A 6 -2.909 -5.853 -1.775 1.00 0.00 C ATOM 45 CD LYS A 6 -4.382 -5.376 -1.628 1.00 0.00 C ATOM 46 CE LYS A 6 -5.060 -5.170 -3.001 1.00 0.00 C ATOM 47 NZ LYS A 6 -5.137 -6.463 -3.740 1.00 0.00 N ATOM 0 H LYS A 6 -0.861 -5.612 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.306 -6.035 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.255 -3.793 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.354 -4.683 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.875 -6.777 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.491 -6.074 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.945 -6.109 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.407 -4.442 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.061 -4.763 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.498 -4.442 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.767 -6.357 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.187 -6.734 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.510 -7.201 -3.110 1.00 0.00 H new ATOM 61 N ARG A 7 -0.036 -2.845 -2.701 1.00 0.00 N ATOM 62 CA ARG A 7 0.560 -1.590 -3.217 1.00 0.00 C ATOM 63 C ARG A 7 0.331 -0.470 -2.173 1.00 0.00 C ATOM 64 O ARG A 7 -0.793 -0.026 -2.035 1.00 0.00 O ATOM 65 CB ARG A 7 -0.110 -1.271 -4.581 1.00 0.00 C ATOM 66 CG ARG A 7 0.210 0.177 -5.031 1.00 0.00 C ATOM 67 CD ARG A 7 -0.114 0.374 -6.525 1.00 0.00 C ATOM 68 NE ARG A 7 -1.514 -0.069 -6.804 1.00 0.00 N ATOM 69 CZ ARG A 7 -1.732 -0.974 -7.721 1.00 0.00 C ATOM 70 NH1 ARG A 7 -1.394 -2.212 -7.488 1.00 0.00 N ATOM 71 NH2 ARG A 7 -2.280 -0.606 -8.847 1.00 0.00 N ATOM 0 H ARG A 7 -0.709 -2.694 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 7 1.635 -1.680 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.239 -1.976 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.189 -1.400 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.367 0.883 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.263 0.393 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.006 1.423 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.586 -0.196 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.293 0.332 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.965 -2.465 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.559 -2.928 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.529 0.372 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.459 -1.296 -9.577 1.00 0.00 H new ATOM 85 N PRO A 8 1.360 -0.042 -1.459 1.00 0.00 N ATOM 86 CA PRO A 8 1.263 1.073 -0.456 1.00 0.00 C ATOM 87 C PRO A 8 0.683 2.396 -1.019 1.00 0.00 C ATOM 88 O PRO A 8 0.326 2.445 -2.180 1.00 0.00 O ATOM 89 CB PRO A 8 2.707 1.217 0.072 1.00 0.00 C ATOM 90 CG PRO A 8 3.560 0.658 -1.080 1.00 0.00 C ATOM 91 CD PRO A 8 2.759 -0.561 -1.535 1.00 0.00 C ATOM 0 HA PRO A 8 0.547 0.839 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.955 2.256 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.857 0.655 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.681 1.385 -1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.560 0.383 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.026 -0.874 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.914 -1.421 -0.883 1.00 0.00 H new ATOM 99 N PRO A 9 0.596 3.422 -0.188 1.00 0.00 N ATOM 100 CA PRO A 9 0.402 4.854 -0.577 1.00 0.00 C ATOM 101 C PRO A 9 0.832 5.348 -1.975 1.00 0.00 C ATOM 102 O PRO A 9 1.455 4.649 -2.751 1.00 0.00 O ATOM 103 CB PRO A 9 1.098 5.637 0.574 1.00 0.00 C ATOM 104 CG PRO A 9 1.618 4.545 1.559 1.00 0.00 C ATOM 105 CD PRO A 9 0.692 3.356 1.297 1.00 0.00 C ATOM 0 HA PRO A 9 -0.669 5.021 -0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.918 6.247 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.400 6.312 1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.660 4.292 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.559 4.879 2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.115 2.414 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.278 3.469 1.782 1.00 0.00 H new ATOM 113 N SER A 10 0.473 6.583 -2.223 1.00 0.00 N ATOM 114 CA SER A 10 0.784 7.258 -3.524 1.00 0.00 C ATOM 115 C SER A 10 1.801 8.400 -3.385 1.00 0.00 C ATOM 116 O SER A 10 2.680 8.519 -4.216 1.00 0.00 O ATOM 117 CB SER A 10 -0.549 7.794 -4.101 1.00 0.00 C ATOM 118 OG SER A 10 -0.230 8.426 -5.334 1.00 0.00 O ATOM 0 H SER A 10 -0.036 7.168 -1.561 1.00 0.00 H new ATOM 0 HA SER A 10 1.246 6.530 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.260 6.982 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.014 8.499 -3.412 1.00 0.00 H new ATOM 0 HG SER A 10 -1.048 8.782 -5.740 1.00 0.00 H new ATOM 124 N ALA A 11 1.616 9.172 -2.340 1.00 0.00 N ATOM 125 CA ALA A 11 2.445 10.371 -1.954 1.00 0.00 C ATOM 126 C ALA A 11 1.382 11.413 -1.567 1.00 0.00 C ATOM 127 O ALA A 11 1.522 12.197 -0.648 1.00 0.00 O ATOM 128 CB ALA A 11 3.255 10.942 -3.128 1.00 0.00 C ATOM 0 H ALA A 11 0.856 9.003 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 11 3.166 10.114 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.831 11.803 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.934 10.178 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.576 11.251 -3.923 1.00 0.00 H new ATOM 134 N PHE A 12 0.323 11.334 -2.333 1.00 0.00 N ATOM 135 CA PHE A 12 -0.876 12.180 -2.225 1.00 0.00 C ATOM 136 C PHE A 12 -1.701 11.693 -1.027 1.00 0.00 C ATOM 137 O PHE A 12 -2.719 12.272 -0.707 1.00 0.00 O ATOM 138 CB PHE A 12 -1.576 12.020 -3.589 1.00 0.00 C ATOM 139 CG PHE A 12 -3.080 12.226 -3.501 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.618 13.498 -3.426 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.910 11.140 -3.500 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.986 13.663 -3.355 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.260 11.306 -3.427 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.809 12.565 -3.354 1.00 0.00 C ATOM 0 H PHE A 12 0.254 10.652 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.688 13.237 -2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.156 12.736 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.372 11.025 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.968 14.361 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.493 10.145 -3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.409 14.655 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.906 10.440 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.880 12.689 -3.296 1.00 0.00 H new ATOM 154 N PHE A 13 -1.230 10.647 -0.399 1.00 0.00 N ATOM 155 CA PHE A 13 -1.943 10.086 0.777 1.00 0.00 C ATOM 156 C PHE A 13 -1.448 10.831 2.026 1.00 0.00 C ATOM 157 O PHE A 13 -2.257 11.289 2.809 1.00 0.00 O ATOM 158 CB PHE A 13 -1.629 8.583 0.851 1.00 0.00 C ATOM 159 CG PHE A 13 -2.508 7.944 1.936 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.201 8.103 3.275 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.625 7.210 1.583 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.000 7.540 4.246 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.426 6.648 2.554 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.112 6.810 3.887 1.00 0.00 C ATOM 0 H PHE A 13 -0.374 10.156 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.023 10.210 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.817 8.111 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.575 8.429 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.329 8.672 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.872 7.076 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.754 7.671 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.300 6.080 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.736 6.366 4.648 1.00 0.00 H new ATOM 174 N LEU A 14 -0.148 10.939 2.176 1.00 0.00 N ATOM 175 CA LEU A 14 0.433 11.648 3.361 1.00 0.00 C ATOM 176 C LEU A 14 -0.244 13.034 3.434 1.00 0.00 C ATOM 177 O LEU A 14 -0.878 13.414 4.401 1.00 0.00 O ATOM 178 CB LEU A 14 1.985 11.835 3.192 1.00 0.00 C ATOM 179 CG LEU A 14 2.892 10.550 2.957 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.601 9.359 3.901 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.940 10.099 1.479 1.00 0.00 C ATOM 0 H LEU A 14 0.540 10.563 1.523 1.00 0.00 H new ATOM 0 HA LEU A 14 0.262 11.069 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.146 12.510 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.355 12.341 4.084 1.00 0.00 H new ATOM 0 HG LEU A 14 3.889 10.897 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.270 8.533 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.760 9.667 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.567 9.037 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.575 9.218 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.933 9.857 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.346 10.904 0.866 1.00 0.00 H new ATOM 193 N PHE A 15 -0.069 13.735 2.348 1.00 0.00 N ATOM 194 CA PHE A 15 -0.624 15.106 2.160 1.00 0.00 C ATOM 195 C PHE A 15 -2.154 15.135 2.373 1.00 0.00 C ATOM 196 O PHE A 15 -2.689 15.992 3.059 1.00 0.00 O ATOM 197 CB PHE A 15 -0.149 15.505 0.744 1.00 0.00 C ATOM 198 CG PHE A 15 -1.098 16.328 -0.136 1.00 0.00 C ATOM 199 CD1 PHE A 15 -2.172 15.723 -0.768 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.859 17.675 -0.346 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.974 16.453 -1.603 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.671 18.400 -1.188 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.727 17.785 -1.814 1.00 0.00 C ATOM 0 H PHE A 15 0.462 13.396 1.546 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.274 15.831 2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.778 16.068 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.095 14.590 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.376 14.676 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.032 18.159 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.807 15.977 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.478 19.449 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.365 18.353 -2.475 1.00 0.00 H new ATOM 213 N CYS A 16 -2.821 14.181 1.771 1.00 0.00 N ATOM 214 CA CYS A 16 -4.305 14.112 1.910 1.00 0.00 C ATOM 215 C CYS A 16 -4.732 14.071 3.358 1.00 0.00 C ATOM 216 O CYS A 16 -5.598 14.825 3.761 1.00 0.00 O ATOM 217 CB CYS A 16 -4.849 12.862 1.203 1.00 0.00 C ATOM 218 SG CYS A 16 -6.587 12.433 1.476 1.00 0.00 S ATOM 0 H CYS A 16 -2.403 13.452 1.193 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.710 15.013 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.699 12.991 0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.241 12.011 1.510 1.00 0.00 H new ATOM 223 N SER A 17 -4.116 13.191 4.095 1.00 0.00 N ATOM 224 CA SER A 17 -4.466 13.080 5.529 1.00 0.00 C ATOM 225 C SER A 17 -4.324 14.444 6.219 1.00 0.00 C ATOM 226 O SER A 17 -5.258 14.944 6.814 1.00 0.00 O ATOM 227 CB SER A 17 -3.537 12.069 6.192 1.00 0.00 C ATOM 228 OG SER A 17 -3.817 10.823 5.564 1.00 0.00 O ATOM 0 H SER A 17 -3.393 12.551 3.767 1.00 0.00 H new ATOM 0 HA SER A 17 -5.500 12.749 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.492 12.350 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.717 12.016 7.266 1.00 0.00 H new ATOM 0 HG SER A 17 -3.359 10.782 4.699 1.00 0.00 H new ATOM 234 N GLU A 18 -3.133 14.975 6.080 1.00 0.00 N ATOM 235 CA GLU A 18 -2.729 16.288 6.658 1.00 0.00 C ATOM 236 C GLU A 18 -3.856 17.315 6.709 1.00 0.00 C ATOM 237 O GLU A 18 -4.067 17.919 7.742 1.00 0.00 O ATOM 238 CB GLU A 18 -1.543 16.842 5.833 1.00 0.00 C ATOM 239 CG GLU A 18 -0.999 18.147 6.465 1.00 0.00 C ATOM 240 CD GLU A 18 0.261 18.609 5.705 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.147 18.820 4.506 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.273 18.724 6.376 1.00 0.00 O ATOM 0 H GLU A 18 -2.385 14.519 5.557 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.445 16.112 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.749 16.097 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.864 17.034 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.762 18.925 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.761 17.981 7.516 1.00 0.00 H new ATOM 249 N TYR A 19 -4.540 17.478 5.597 1.00 0.00 N ATOM 250 CA TYR A 19 -5.652 18.480 5.588 1.00 0.00 C ATOM 251 C TYR A 19 -7.033 18.020 5.111 1.00 0.00 C ATOM 252 O TYR A 19 -7.843 18.854 4.752 1.00 0.00 O ATOM 253 CB TYR A 19 -5.170 19.668 4.741 1.00 0.00 C ATOM 254 CG TYR A 19 -5.062 19.424 3.226 1.00 0.00 C ATOM 255 CD1 TYR A 19 -5.086 18.184 2.602 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.951 20.558 2.455 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.003 18.113 1.224 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.868 20.485 1.091 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.895 19.264 0.466 1.00 0.00 C ATOM 260 OH TYR A 19 -4.828 19.220 -0.909 1.00 0.00 O ATOM 0 H TYR A 19 -4.382 16.977 4.723 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.841 18.720 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.850 20.504 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.191 19.976 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.169 17.281 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.929 21.525 2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.023 17.150 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.781 21.389 0.506 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.895 19.108 -1.188 1.00 0.00 H new ATOM 270 N ARG A 20 -7.296 16.737 5.120 1.00 0.00 N ATOM 271 CA ARG A 20 -8.637 16.262 4.659 1.00 0.00 C ATOM 272 C ARG A 20 -9.782 17.070 5.329 1.00 0.00 C ATOM 273 O ARG A 20 -10.593 17.629 4.618 1.00 0.00 O ATOM 274 CB ARG A 20 -8.752 14.737 4.969 1.00 0.00 C ATOM 275 CG ARG A 20 -10.146 14.202 4.546 1.00 0.00 C ATOM 276 CD ARG A 20 -10.161 12.663 4.637 1.00 0.00 C ATOM 277 NE ARG A 20 -9.871 12.258 6.046 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.672 11.437 6.671 1.00 0.00 C ATOM 279 NH1 ARG A 20 -11.721 11.916 7.285 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.388 10.165 6.657 1.00 0.00 N ATOM 0 H ARG A 20 -6.651 16.007 5.422 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.735 16.422 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.970 14.192 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.597 14.563 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.918 14.622 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.374 14.518 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.132 12.277 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.418 12.238 3.962 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.046 12.624 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.906 12.919 7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.355 11.287 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.558 9.833 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.996 9.501 7.137 1.00 0.00 H new ATOM 294 N PRO A 21 -9.840 17.153 6.644 1.00 0.00 N ATOM 295 CA PRO A 21 -11.026 17.719 7.353 1.00 0.00 C ATOM 296 C PRO A 21 -11.008 19.264 7.370 1.00 0.00 C ATOM 297 O PRO A 21 -11.933 19.900 7.841 1.00 0.00 O ATOM 298 CB PRO A 21 -10.927 17.097 8.730 1.00 0.00 C ATOM 299 CG PRO A 21 -9.396 17.175 8.981 1.00 0.00 C ATOM 300 CD PRO A 21 -8.789 16.724 7.626 1.00 0.00 C ATOM 0 HA PRO A 21 -11.975 17.490 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.496 17.653 9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.296 16.071 8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.083 18.185 9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.088 16.521 9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.830 17.204 7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.619 15.648 7.595 1.00 0.00 H new ATOM 308 N LYS A 22 -9.947 19.812 6.833 1.00 0.00 N ATOM 309 CA LYS A 22 -9.761 21.292 6.775 1.00 0.00 C ATOM 310 C LYS A 22 -10.392 21.872 5.509 1.00 0.00 C ATOM 311 O LYS A 22 -10.955 22.949 5.549 1.00 0.00 O ATOM 312 CB LYS A 22 -8.253 21.596 6.785 1.00 0.00 C ATOM 313 CG LYS A 22 -7.997 23.107 7.049 1.00 0.00 C ATOM 314 CD LYS A 22 -8.155 23.432 8.561 1.00 0.00 C ATOM 315 CE LYS A 22 -6.768 23.539 9.240 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.949 22.307 9.030 1.00 0.00 N ATOM 0 H LYS A 22 -9.181 19.278 6.421 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.249 21.748 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.762 20.999 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.813 21.309 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.994 23.375 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.697 23.707 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.699 24.368 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.745 22.655 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.234 24.402 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.899 23.710 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.112 22.337 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.519 21.468 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.645 22.257 8.037 1.00 0.00 H new ATOM 330 N ILE A 23 -10.303 21.145 4.422 1.00 0.00 N ATOM 331 CA ILE A 23 -10.893 21.668 3.154 1.00 0.00 C ATOM 332 C ILE A 23 -12.342 21.255 3.173 1.00 0.00 C ATOM 333 O ILE A 23 -13.211 21.974 2.732 1.00 0.00 O ATOM 334 CB ILE A 23 -10.144 21.070 1.923 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.824 19.562 2.123 1.00 0.00 C ATOM 336 CG2 ILE A 23 -8.849 21.892 1.716 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.259 18.944 0.844 1.00 0.00 C ATOM 0 H ILE A 23 -9.856 20.230 4.358 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.800 22.751 3.076 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.778 21.133 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.107 19.444 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.729 19.031 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.301 21.498 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.106 22.935 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.227 21.822 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.045 17.889 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.988 19.041 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.341 19.461 0.565 1.00 0.00 H new ATOM 349 N LYS A 24 -12.546 20.085 3.704 1.00 0.00 N ATOM 350 CA LYS A 24 -13.900 19.509 3.826 1.00 0.00 C ATOM 351 C LYS A 24 -14.722 20.486 4.689 1.00 0.00 C ATOM 352 O LYS A 24 -15.893 20.704 4.448 1.00 0.00 O ATOM 353 CB LYS A 24 -13.727 18.165 4.488 1.00 0.00 C ATOM 354 CG LYS A 24 -15.110 17.450 4.518 1.00 0.00 C ATOM 355 CD LYS A 24 -15.069 16.100 5.265 1.00 0.00 C ATOM 356 CE LYS A 24 -14.751 16.297 6.758 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.069 15.047 7.501 1.00 0.00 N ATOM 0 H LYS A 24 -11.802 19.490 4.068 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.417 19.371 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.001 17.564 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.341 18.288 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.841 18.102 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.451 17.284 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.029 15.594 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.316 15.454 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.699 16.552 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.331 17.128 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.855 15.179 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.078 14.823 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.497 14.264 7.125 1.00 0.00 H new ATOM 371 N GLY A 25 -14.045 21.039 5.670 1.00 0.00 N ATOM 372 CA GLY A 25 -14.677 22.009 6.608 1.00 0.00 C ATOM 373 C GLY A 25 -15.147 23.255 5.850 1.00 0.00 C ATOM 374 O GLY A 25 -16.261 23.711 6.021 1.00 0.00 O ATOM 0 H GLY A 25 -13.060 20.851 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.523 21.540 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.964 22.294 7.382 1.00 0.00 H new ATOM 378 N GLU A 26 -14.255 23.757 5.036 1.00 0.00 N ATOM 379 CA GLU A 26 -14.518 24.969 4.203 1.00 0.00 C ATOM 380 C GLU A 26 -15.653 24.730 3.202 1.00 0.00 C ATOM 381 O GLU A 26 -16.545 25.539 3.049 1.00 0.00 O ATOM 382 CB GLU A 26 -13.235 25.324 3.441 1.00 0.00 C ATOM 383 CG GLU A 26 -12.085 25.652 4.415 1.00 0.00 C ATOM 384 CD GLU A 26 -12.193 27.101 4.922 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.109 27.362 5.683 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.343 27.874 4.513 1.00 0.00 O ATOM 0 H GLU A 26 -13.323 23.362 4.911 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.819 25.785 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.947 24.491 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.419 26.178 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.111 24.964 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.127 25.507 3.915 1.00 0.00 H new ATOM 393 N HIS A 27 -15.548 23.600 2.555 1.00 0.00 N ATOM 394 CA HIS A 27 -16.519 23.148 1.528 1.00 0.00 C ATOM 395 C HIS A 27 -17.231 21.858 1.975 1.00 0.00 C ATOM 396 O HIS A 27 -16.883 20.776 1.542 1.00 0.00 O ATOM 397 CB HIS A 27 -15.725 22.934 0.216 1.00 0.00 C ATOM 398 CG HIS A 27 -14.920 24.211 -0.069 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.437 25.348 -0.398 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.554 24.451 -0.040 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.497 26.222 -0.563 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.311 25.710 -0.348 1.00 0.00 N ATOM 0 H HIS A 27 -14.785 22.941 2.710 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.301 23.893 1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.058 22.077 0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.404 22.720 -0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.801 23.715 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.670 27.250 -0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.406 26.178 -0.406 1.00 0.00 H new ATOM 410 N PRO A 28 -18.217 22.000 2.839 1.00 0.00 N ATOM 411 CA PRO A 28 -19.150 20.897 3.208 1.00 0.00 C ATOM 412 C PRO A 28 -20.184 20.675 2.080 1.00 0.00 C ATOM 413 O PRO A 28 -21.370 20.539 2.313 1.00 0.00 O ATOM 414 CB PRO A 28 -19.739 21.387 4.530 1.00 0.00 C ATOM 415 CG PRO A 28 -19.880 22.906 4.264 1.00 0.00 C ATOM 416 CD PRO A 28 -18.540 23.257 3.573 1.00 0.00 C ATOM 0 HA PRO A 28 -18.691 19.915 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.698 20.919 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -19.082 21.178 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.735 23.127 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.018 23.468 5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.642 24.107 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.766 23.515 4.296 1.00 0.00 H new ATOM 424 N GLY A 29 -19.655 20.653 0.884 1.00 0.00 N ATOM 425 CA GLY A 29 -20.421 20.453 -0.371 1.00 0.00 C ATOM 426 C GLY A 29 -19.788 19.269 -1.116 1.00 0.00 C ATOM 427 O GLY A 29 -20.416 18.665 -1.963 1.00 0.00 O ATOM 0 H GLY A 29 -18.655 20.775 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.470 20.251 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.391 21.353 -0.986 1.00 0.00 H new ATOM 431 N LEU A 30 -18.555 18.979 -0.768 1.00 0.00 N ATOM 432 CA LEU A 30 -17.805 17.863 -1.396 1.00 0.00 C ATOM 433 C LEU A 30 -18.169 16.543 -0.688 1.00 0.00 C ATOM 434 O LEU A 30 -18.690 16.526 0.411 1.00 0.00 O ATOM 435 CB LEU A 30 -16.277 18.097 -1.241 1.00 0.00 C ATOM 436 CG LEU A 30 -15.803 19.496 -1.705 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.265 19.597 -1.561 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.207 19.808 -3.160 1.00 0.00 C ATOM 0 H LEU A 30 -18.032 19.488 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.066 17.813 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.003 17.961 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.744 17.337 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.295 20.231 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.933 20.582 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.987 19.448 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.791 18.832 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.849 20.801 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.765 19.068 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.293 19.776 -3.251 1.00 0.00 H new ATOM 450 N SER A 31 -17.857 15.488 -1.385 1.00 0.00 N ATOM 451 CA SER A 31 -18.088 14.091 -0.936 1.00 0.00 C ATOM 452 C SER A 31 -16.691 13.518 -0.759 1.00 0.00 C ATOM 453 O SER A 31 -15.708 14.146 -1.087 1.00 0.00 O ATOM 454 CB SER A 31 -18.809 13.280 -2.013 1.00 0.00 C ATOM 455 OG SER A 31 -19.178 12.066 -1.373 1.00 0.00 O ATOM 0 H SER A 31 -17.424 15.547 -2.306 1.00 0.00 H new ATOM 0 HA SER A 31 -18.699 14.057 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.684 13.811 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.159 13.094 -2.868 1.00 0.00 H new ATOM 0 HG SER A 31 -19.651 11.491 -2.010 1.00 0.00 H new ATOM 461 N ILE A 32 -16.630 12.325 -0.249 1.00 0.00 N ATOM 462 CA ILE A 32 -15.319 11.651 -0.038 1.00 0.00 C ATOM 463 C ILE A 32 -14.603 11.472 -1.389 1.00 0.00 C ATOM 464 O ILE A 32 -13.408 11.259 -1.431 1.00 0.00 O ATOM 465 CB ILE A 32 -15.649 10.310 0.672 1.00 0.00 C ATOM 466 CG1 ILE A 32 -15.618 10.498 2.211 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.727 9.169 0.216 1.00 0.00 C ATOM 468 CD1 ILE A 32 -16.615 11.593 2.670 1.00 0.00 C ATOM 0 H ILE A 32 -17.443 11.778 0.036 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.631 12.229 0.578 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.658 10.017 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.862 9.554 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.610 10.768 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.996 8.252 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.838 9.019 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.692 9.425 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.567 11.698 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.354 12.542 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.626 11.310 2.378 1.00 0.00 H new ATOM 480 N GLY A 33 -15.371 11.569 -2.439 1.00 0.00 N ATOM 481 CA GLY A 33 -14.815 11.417 -3.825 1.00 0.00 C ATOM 482 C GLY A 33 -14.572 12.768 -4.512 1.00 0.00 C ATOM 483 O GLY A 33 -14.119 12.803 -5.639 1.00 0.00 O ATOM 0 H GLY A 33 -16.374 11.749 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.877 10.863 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.505 10.826 -4.427 1.00 0.00 H new ATOM 487 N ASP A 34 -14.865 13.835 -3.816 1.00 0.00 N ATOM 488 CA ASP A 34 -14.675 15.207 -4.365 1.00 0.00 C ATOM 489 C ASP A 34 -13.527 15.800 -3.600 1.00 0.00 C ATOM 490 O ASP A 34 -12.665 16.414 -4.188 1.00 0.00 O ATOM 491 CB ASP A 34 -15.933 16.039 -4.155 1.00 0.00 C ATOM 492 CG ASP A 34 -17.099 15.487 -4.993 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.911 15.375 -6.194 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.117 15.207 -4.383 1.00 0.00 O ATOM 0 H ASP A 34 -15.237 13.810 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.476 15.185 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.204 16.036 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.739 17.075 -4.431 1.00 0.00 H new ATOM 499 N VAL A 35 -13.556 15.607 -2.311 1.00 0.00 N ATOM 500 CA VAL A 35 -12.476 16.120 -1.429 1.00 0.00 C ATOM 501 C VAL A 35 -11.234 15.402 -1.973 1.00 0.00 C ATOM 502 O VAL A 35 -10.188 15.982 -2.154 1.00 0.00 O ATOM 503 CB VAL A 35 -12.780 15.698 0.041 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.604 16.097 0.956 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.034 16.426 0.558 1.00 0.00 C ATOM 0 H VAL A 35 -14.299 15.105 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.364 17.204 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.934 14.619 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.823 15.799 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.695 15.598 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.461 17.177 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.234 16.121 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.869 17.503 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.888 16.170 -0.069 1.00 0.00 H new ATOM 515 N ALA A 36 -11.440 14.141 -2.248 1.00 0.00 N ATOM 516 CA ALA A 36 -10.370 13.265 -2.772 1.00 0.00 C ATOM 517 C ALA A 36 -9.976 13.687 -4.168 1.00 0.00 C ATOM 518 O ALA A 36 -8.802 13.876 -4.410 1.00 0.00 O ATOM 519 CB ALA A 36 -10.885 11.838 -2.769 1.00 0.00 C ATOM 0 H ALA A 36 -12.339 13.674 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.482 13.341 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.112 11.171 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.144 11.547 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.770 11.769 -3.402 1.00 0.00 H new ATOM 525 N LYS A 37 -10.925 13.833 -5.062 1.00 0.00 N ATOM 526 CA LYS A 37 -10.505 14.252 -6.432 1.00 0.00 C ATOM 527 C LYS A 37 -10.108 15.746 -6.417 1.00 0.00 C ATOM 528 O LYS A 37 -9.564 16.243 -7.386 1.00 0.00 O ATOM 529 CB LYS A 37 -11.680 14.009 -7.442 1.00 0.00 C ATOM 530 CG LYS A 37 -12.595 15.254 -7.610 1.00 0.00 C ATOM 531 CD LYS A 37 -13.807 14.920 -8.508 1.00 0.00 C ATOM 532 CE LYS A 37 -14.525 16.231 -8.904 1.00 0.00 C ATOM 533 NZ LYS A 37 -13.617 17.076 -9.737 1.00 0.00 N ATOM 0 H LYS A 37 -11.924 13.688 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.645 13.662 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.268 13.733 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.280 13.166 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.941 15.592 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.026 16.074 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.477 14.388 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.495 14.260 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.435 16.004 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.825 16.777 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.184 17.685 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.028 17.668 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.006 16.464 -10.314 1.00 0.00 H new ATOM 547 N LYS A 38 -10.359 16.424 -5.319 1.00 0.00 N ATOM 548 CA LYS A 38 -10.012 17.865 -5.243 1.00 0.00 C ATOM 549 C LYS A 38 -8.559 17.907 -4.887 1.00 0.00 C ATOM 550 O LYS A 38 -7.776 18.381 -5.685 1.00 0.00 O ATOM 551 CB LYS A 38 -10.839 18.595 -4.145 1.00 0.00 C ATOM 552 CG LYS A 38 -10.321 20.048 -4.001 1.00 0.00 C ATOM 553 CD LYS A 38 -11.160 20.825 -2.972 1.00 0.00 C ATOM 554 CE LYS A 38 -10.584 22.252 -2.856 1.00 0.00 C ATOM 555 NZ LYS A 38 -11.412 23.071 -1.928 1.00 0.00 N ATOM 0 H LYS A 38 -10.788 16.035 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.230 18.366 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.896 18.597 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.750 18.068 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.276 20.038 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.363 20.552 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.204 20.861 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.133 20.325 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.557 22.208 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.556 22.721 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.012 24.029 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.386 23.127 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.417 22.630 -0.986 1.00 0.00 H new ATOM 569 N LEU A 39 -8.198 17.407 -3.729 1.00 0.00 N ATOM 570 CA LEU A 39 -6.757 17.476 -3.428 1.00 0.00 C ATOM 571 C LEU A 39 -6.038 16.577 -4.429 1.00 0.00 C ATOM 572 O LEU A 39 -4.883 16.828 -4.671 1.00 0.00 O ATOM 573 CB LEU A 39 -6.504 17.057 -1.966 1.00 0.00 C ATOM 574 CG LEU A 39 -7.115 15.726 -1.558 1.00 0.00 C ATOM 575 CD1 LEU A 39 -6.070 14.870 -0.827 1.00 0.00 C ATOM 576 CD2 LEU A 39 -8.065 16.046 -0.397 1.00 0.00 C ATOM 0 H LEU A 39 -8.803 16.982 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.374 18.492 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.428 17.011 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.895 17.834 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.538 15.244 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.517 13.918 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.222 14.688 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.728 15.396 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.541 15.128 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.501 16.491 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.829 16.746 -0.734 1.00 0.00 H new ATOM 588 N GLY A 40 -6.676 15.568 -4.986 1.00 0.00 N ATOM 589 CA GLY A 40 -5.969 14.689 -5.998 1.00 0.00 C ATOM 590 C GLY A 40 -5.323 15.611 -7.024 1.00 0.00 C ATOM 591 O GLY A 40 -4.163 15.481 -7.359 1.00 0.00 O ATOM 0 H GLY A 40 -7.644 15.313 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.216 14.070 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.675 14.013 -6.480 1.00 0.00 H new ATOM 595 N GLU A 41 -6.125 16.538 -7.475 1.00 0.00 N ATOM 596 CA GLU A 41 -5.654 17.521 -8.479 1.00 0.00 C ATOM 597 C GLU A 41 -4.653 18.492 -7.844 1.00 0.00 C ATOM 598 O GLU A 41 -3.565 18.672 -8.350 1.00 0.00 O ATOM 599 CB GLU A 41 -6.849 18.291 -8.995 1.00 0.00 C ATOM 600 CG GLU A 41 -7.814 17.368 -9.772 1.00 0.00 C ATOM 601 CD GLU A 41 -7.136 16.825 -11.042 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.861 17.637 -11.910 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.927 15.624 -11.074 1.00 0.00 O ATOM 0 H GLU A 41 -7.096 16.653 -7.184 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.158 16.998 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.376 18.752 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.512 19.099 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.125 16.539 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.715 17.919 -10.041 1.00 0.00 H new ATOM 610 N MET A 42 -5.058 19.077 -6.744 1.00 0.00 N ATOM 611 CA MET A 42 -4.189 20.060 -6.010 1.00 0.00 C ATOM 612 C MET A 42 -2.770 19.550 -5.804 1.00 0.00 C ATOM 613 O MET A 42 -1.813 20.268 -5.990 1.00 0.00 O ATOM 614 CB MET A 42 -4.795 20.341 -4.675 1.00 0.00 C ATOM 615 CG MET A 42 -6.198 20.968 -4.849 1.00 0.00 C ATOM 616 SD MET A 42 -6.308 22.621 -5.583 1.00 0.00 S ATOM 617 CE MET A 42 -6.687 22.142 -7.291 1.00 0.00 C ATOM 0 H MET A 42 -5.968 18.915 -6.314 1.00 0.00 H new ATOM 0 HA MET A 42 -4.131 20.962 -6.620 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.869 19.418 -4.099 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.153 21.018 -4.111 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.792 20.291 -5.462 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.670 21.007 -3.867 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.230 22.949 -7.783 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.759 21.948 -7.829 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.300 21.241 -7.289 1.00 0.00 H new ATOM 627 N TRP A 43 -2.711 18.313 -5.404 1.00 0.00 N ATOM 628 CA TRP A 43 -1.461 17.568 -5.137 1.00 0.00 C ATOM 629 C TRP A 43 -0.588 17.650 -6.361 1.00 0.00 C ATOM 630 O TRP A 43 0.572 17.991 -6.269 1.00 0.00 O ATOM 631 CB TRP A 43 -1.862 16.144 -4.814 1.00 0.00 C ATOM 632 CG TRP A 43 -0.654 15.235 -4.912 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.445 14.395 -5.946 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.362 15.154 -4.040 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.710 13.847 -5.628 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.282 14.232 -4.501 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.572 15.814 -2.840 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.426 13.971 -3.754 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.710 15.551 -2.084 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.643 14.627 -2.545 1.00 0.00 C ATOM 0 H TRP A 43 -3.548 17.753 -5.242 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.893 17.978 -4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.285 16.095 -3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.637 15.810 -5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.065 14.217 -6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.147 13.150 -6.231 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.151 16.536 -2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.150 13.255 -4.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.868 16.061 -1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.532 14.420 -1.967 1.00 0.00 H new ATOM 651 N ASN A 44 -1.202 17.343 -7.474 1.00 0.00 N ATOM 652 CA ASN A 44 -0.431 17.384 -8.755 1.00 0.00 C ATOM 653 C ASN A 44 0.186 18.786 -8.951 1.00 0.00 C ATOM 654 O ASN A 44 1.100 18.964 -9.731 1.00 0.00 O ATOM 655 CB ASN A 44 -1.376 17.016 -9.935 1.00 0.00 C ATOM 656 CG ASN A 44 -1.951 15.609 -9.684 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.232 15.404 -9.818 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.237 14.680 -9.364 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.182 17.071 -7.554 1.00 0.00 H new ATOM 0 HA ASN A 44 0.383 16.660 -8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.182 17.745 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.830 17.039 -10.878 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.233 14.823 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.641 13.757 -9.205 1.00 0.00 H new ATOM 665 N ASN A 45 -0.362 19.729 -8.218 1.00 0.00 N ATOM 666 CA ASN A 45 0.089 21.159 -8.251 1.00 0.00 C ATOM 667 C ASN A 45 0.333 21.689 -6.805 1.00 0.00 C ATOM 668 O ASN A 45 0.033 22.837 -6.532 1.00 0.00 O ATOM 669 CB ASN A 45 -1.012 22.006 -8.930 1.00 0.00 C ATOM 670 CG ASN A 45 -1.682 21.197 -10.038 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.899 20.788 -9.810 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.122 20.930 -11.082 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.134 19.557 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 45 1.023 21.231 -8.808 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.754 22.312 -8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.579 22.917 -9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.170 21.256 -11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.604 20.380 -11.793 1.00 0.00 H new ATOM 679 N THR A 46 0.868 20.881 -5.913 1.00 0.00 N ATOM 680 CA THR A 46 1.102 21.379 -4.512 1.00 0.00 C ATOM 681 C THR A 46 2.307 22.328 -4.507 1.00 0.00 C ATOM 682 O THR A 46 2.230 23.424 -3.990 1.00 0.00 O ATOM 683 CB THR A 46 1.346 20.146 -3.546 1.00 0.00 C ATOM 684 OG1 THR A 46 1.401 20.729 -2.251 1.00 0.00 O ATOM 685 CG2 THR A 46 2.722 19.452 -3.659 1.00 0.00 C ATOM 0 H THR A 46 1.148 19.916 -6.089 1.00 0.00 H new ATOM 0 HA THR A 46 0.228 21.925 -4.157 1.00 0.00 H new ATOM 0 HB THR A 46 0.574 19.411 -3.774 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.550 20.028 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.772 18.625 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.855 19.071 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.511 20.170 -3.435 1.00 0.00 H new ATOM 693 N ALA A 47 3.373 21.855 -5.096 1.00 0.00 N ATOM 694 CA ALA A 47 4.644 22.626 -5.198 1.00 0.00 C ATOM 695 C ALA A 47 5.661 21.786 -5.963 1.00 0.00 C ATOM 696 O ALA A 47 6.395 22.309 -6.776 1.00 0.00 O ATOM 697 CB ALA A 47 5.221 22.937 -3.797 1.00 0.00 C ATOM 0 H ALA A 47 3.414 20.931 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 47 4.441 23.566 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.148 23.500 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.501 23.526 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.421 22.004 -3.271 1.00 0.00 H new ATOM 703 N ALA A 48 5.656 20.507 -5.651 1.00 0.00 N ATOM 704 CA ALA A 48 6.576 19.482 -6.264 1.00 0.00 C ATOM 705 C ALA A 48 7.966 19.668 -5.622 1.00 0.00 C ATOM 706 O ALA A 48 8.935 19.031 -5.976 1.00 0.00 O ATOM 707 CB ALA A 48 6.694 19.665 -7.793 1.00 0.00 C ATOM 0 H ALA A 48 5.018 20.112 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 48 6.177 18.484 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.365 18.908 -8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.710 19.559 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.091 20.657 -8.011 1.00 0.00 H new ATOM 713 N ASP A 49 7.952 20.578 -4.684 1.00 0.00 N ATOM 714 CA ASP A 49 9.073 21.042 -3.838 1.00 0.00 C ATOM 715 C ASP A 49 8.626 20.731 -2.389 1.00 0.00 C ATOM 716 O ASP A 49 9.429 20.642 -1.480 1.00 0.00 O ATOM 717 CB ASP A 49 9.262 22.568 -4.126 1.00 0.00 C ATOM 718 CG ASP A 49 9.495 23.398 -2.845 1.00 0.00 C ATOM 719 OD1 ASP A 49 8.515 23.597 -2.144 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.635 23.782 -2.639 1.00 0.00 O ATOM 0 H ASP A 49 7.089 21.071 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 49 10.034 20.564 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.109 22.703 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.380 22.947 -4.643 1.00 0.00 H new ATOM 725 N ASP A 50 7.329 20.581 -2.258 1.00 0.00 N ATOM 726 CA ASP A 50 6.640 20.274 -0.971 1.00 0.00 C ATOM 727 C ASP A 50 6.161 18.817 -1.055 1.00 0.00 C ATOM 728 O ASP A 50 5.541 18.311 -0.139 1.00 0.00 O ATOM 729 CB ASP A 50 5.420 21.201 -0.799 1.00 0.00 C ATOM 730 CG ASP A 50 4.781 21.015 0.591 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.466 21.324 1.551 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.645 20.572 0.620 1.00 0.00 O ATOM 0 H ASP A 50 6.686 20.666 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 50 7.312 20.422 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.726 22.239 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.684 20.988 -1.574 1.00 0.00 H new ATOM 737 N LYS A 51 6.474 18.186 -2.160 1.00 0.00 N ATOM 738 CA LYS A 51 6.075 16.772 -2.366 1.00 0.00 C ATOM 739 C LYS A 51 7.239 15.996 -1.833 1.00 0.00 C ATOM 740 O LYS A 51 7.016 15.075 -1.086 1.00 0.00 O ATOM 741 CB LYS A 51 5.913 16.391 -3.846 1.00 0.00 C ATOM 742 CG LYS A 51 4.613 16.947 -4.405 1.00 0.00 C ATOM 743 CD LYS A 51 4.354 16.256 -5.755 1.00 0.00 C ATOM 744 CE LYS A 51 3.024 16.732 -6.315 1.00 0.00 C ATOM 745 NZ LYS A 51 2.733 16.054 -7.607 1.00 0.00 N ATOM 0 H LYS A 51 6.995 18.601 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 51 5.114 16.581 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.756 16.776 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.925 15.306 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.789 16.761 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.683 18.027 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.159 16.484 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.341 15.174 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.227 16.526 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.049 17.812 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.508 16.767 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.565 15.507 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.922 15.414 -7.488 1.00 0.00 H new ATOM 759 N GLN A 52 8.427 16.380 -2.235 1.00 0.00 N ATOM 760 CA GLN A 52 9.673 15.689 -1.768 1.00 0.00 C ATOM 761 C GLN A 52 9.534 14.950 -0.415 1.00 0.00 C ATOM 762 O GLN A 52 9.702 13.750 -0.401 1.00 0.00 O ATOM 763 CB GLN A 52 10.818 16.750 -1.697 1.00 0.00 C ATOM 764 CG GLN A 52 11.644 16.731 -3.002 1.00 0.00 C ATOM 765 CD GLN A 52 10.842 17.318 -4.168 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.927 16.593 -4.750 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 11.049 18.451 -4.553 1.00 0.00 N flip ATOM 0 H GLN A 52 8.589 17.156 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 52 9.896 14.903 -2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.395 17.742 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.465 16.541 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.562 17.302 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.937 15.708 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.764 19.021 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.508 18.833 -5.329 1.00 0.00 H new ATOM 776 N PRO A 53 9.228 15.636 0.667 1.00 0.00 N ATOM 777 CA PRO A 53 9.020 15.011 2.011 1.00 0.00 C ATOM 778 C PRO A 53 8.080 13.794 2.037 1.00 0.00 C ATOM 779 O PRO A 53 8.353 12.784 2.655 1.00 0.00 O ATOM 780 CB PRO A 53 8.506 16.164 2.882 1.00 0.00 C ATOM 781 CG PRO A 53 7.948 17.174 1.850 1.00 0.00 C ATOM 782 CD PRO A 53 9.005 17.108 0.745 1.00 0.00 C ATOM 0 HA PRO A 53 9.951 14.575 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.734 15.830 3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.305 16.602 3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.961 16.886 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.855 18.176 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.646 17.523 -0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.913 17.651 1.007 1.00 0.00 H new ATOM 790 N TYR A 54 6.993 13.963 1.336 1.00 0.00 N ATOM 791 CA TYR A 54 5.928 12.916 1.228 1.00 0.00 C ATOM 792 C TYR A 54 6.262 11.852 0.173 1.00 0.00 C ATOM 793 O TYR A 54 6.190 10.664 0.417 1.00 0.00 O ATOM 794 CB TYR A 54 4.599 13.617 0.864 1.00 0.00 C ATOM 795 CG TYR A 54 4.202 14.669 1.922 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.055 14.325 3.254 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.975 15.982 1.547 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.692 15.270 4.189 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.614 16.929 2.485 1.00 0.00 C ATOM 800 CZ TYR A 54 3.469 16.577 3.813 1.00 0.00 C ATOM 801 OH TYR A 54 3.108 17.515 4.760 1.00 0.00 O ATOM 0 H TYR A 54 6.789 14.815 0.813 1.00 0.00 H new ATOM 0 HA TYR A 54 5.850 12.399 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.696 14.098 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.807 12.873 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.227 13.305 3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.081 16.268 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.581 14.984 5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.444 17.951 2.179 1.00 0.00 H new ATOM 0 HH TYR A 54 2.487 17.110 5.401 1.00 0.00 H new ATOM 811 N GLU A 55 6.624 12.322 -0.988 1.00 0.00 N ATOM 812 CA GLU A 55 6.981 11.425 -2.125 1.00 0.00 C ATOM 813 C GLU A 55 8.146 10.496 -1.775 1.00 0.00 C ATOM 814 O GLU A 55 8.054 9.299 -1.956 1.00 0.00 O ATOM 815 CB GLU A 55 7.324 12.322 -3.331 1.00 0.00 C ATOM 816 CG GLU A 55 6.413 11.945 -4.512 1.00 0.00 C ATOM 817 CD GLU A 55 6.794 12.757 -5.764 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.923 12.601 -6.198 1.00 0.00 O ATOM 819 OE2 GLU A 55 5.936 13.491 -6.224 1.00 0.00 O ATOM 0 H GLU A 55 6.689 13.317 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 55 6.140 10.774 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.187 13.371 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.371 12.196 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.501 10.879 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.372 12.134 -4.251 1.00 0.00 H new ATOM 826 N LYS A 56 9.210 11.078 -1.287 1.00 0.00 N ATOM 827 CA LYS A 56 10.428 10.306 -0.893 1.00 0.00 C ATOM 828 C LYS A 56 9.992 9.129 0.000 1.00 0.00 C ATOM 829 O LYS A 56 10.523 8.039 -0.082 1.00 0.00 O ATOM 830 CB LYS A 56 11.382 11.246 -0.114 1.00 0.00 C ATOM 831 CG LYS A 56 12.742 10.564 0.217 1.00 0.00 C ATOM 832 CD LYS A 56 13.836 11.039 -0.771 1.00 0.00 C ATOM 833 CE LYS A 56 15.162 10.313 -0.461 1.00 0.00 C ATOM 834 NZ LYS A 56 16.244 10.829 -1.348 1.00 0.00 N ATOM 0 H LYS A 56 9.288 12.084 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 56 10.945 9.921 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.563 12.146 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.901 11.562 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.037 10.802 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.637 9.481 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.528 10.834 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.972 12.117 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.434 10.464 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.041 9.240 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.134 10.335 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.987 10.663 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.367 11.849 -1.188 1.00 0.00 H new ATOM 848 N LYS A 57 9.001 9.403 0.817 1.00 0.00 N ATOM 849 CA LYS A 57 8.489 8.354 1.743 1.00 0.00 C ATOM 850 C LYS A 57 7.774 7.302 0.898 1.00 0.00 C ATOM 851 O LYS A 57 8.125 6.142 0.962 1.00 0.00 O ATOM 852 CB LYS A 57 7.514 8.997 2.754 1.00 0.00 C ATOM 853 CG LYS A 57 7.567 8.171 4.054 1.00 0.00 C ATOM 854 CD LYS A 57 6.536 8.708 5.070 1.00 0.00 C ATOM 855 CE LYS A 57 6.809 8.082 6.455 1.00 0.00 C ATOM 856 NZ LYS A 57 6.815 6.591 6.377 1.00 0.00 N ATOM 0 H LYS A 57 8.529 10.305 0.879 1.00 0.00 H new ATOM 0 HA LYS A 57 9.301 7.890 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.794 10.032 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.501 9.011 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.362 7.123 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.568 8.217 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.600 9.794 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.525 8.466 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.769 8.434 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.047 8.410 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.100 6.196 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.862 6.252 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.487 6.284 5.645 1.00 0.00 H new ATOM 870 N ALA A 58 6.793 7.727 0.138 1.00 0.00 N ATOM 871 CA ALA A 58 6.025 6.781 -0.745 1.00 0.00 C ATOM 872 C ALA A 58 6.991 5.778 -1.405 1.00 0.00 C ATOM 873 O ALA A 58 6.798 4.581 -1.342 1.00 0.00 O ATOM 874 CB ALA A 58 5.285 7.591 -1.820 1.00 0.00 C ATOM 0 H ALA A 58 6.486 8.698 0.089 1.00 0.00 H new ATOM 0 HA ALA A 58 5.303 6.224 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.725 6.914 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.597 8.288 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.007 8.147 -2.418 1.00 0.00 H new ATOM 880 N ALA A 59 8.013 6.328 -2.020 1.00 0.00 N ATOM 881 CA ALA A 59 9.054 5.504 -2.710 1.00 0.00 C ATOM 882 C ALA A 59 9.615 4.445 -1.743 1.00 0.00 C ATOM 883 O ALA A 59 9.534 3.259 -1.997 1.00 0.00 O ATOM 884 CB ALA A 59 10.179 6.437 -3.191 1.00 0.00 C ATOM 0 H ALA A 59 8.171 7.334 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 59 8.615 4.988 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.946 5.851 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.770 7.173 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.618 6.949 -2.335 1.00 0.00 H new ATOM 890 N LYS A 60 10.167 4.921 -0.652 1.00 0.00 N ATOM 891 CA LYS A 60 10.763 4.042 0.401 1.00 0.00 C ATOM 892 C LYS A 60 9.792 2.916 0.739 1.00 0.00 C ATOM 893 O LYS A 60 10.189 1.776 0.823 1.00 0.00 O ATOM 894 CB LYS A 60 11.083 4.925 1.634 1.00 0.00 C ATOM 895 CG LYS A 60 11.757 4.095 2.771 1.00 0.00 C ATOM 896 CD LYS A 60 10.795 3.903 3.967 1.00 0.00 C ATOM 897 CE LYS A 60 10.520 5.259 4.663 1.00 0.00 C ATOM 898 NZ LYS A 60 9.624 5.058 5.836 1.00 0.00 N ATOM 0 H LYS A 60 10.230 5.917 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 60 11.685 3.576 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.742 5.741 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.164 5.377 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.060 3.122 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.663 4.601 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.857 3.468 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.228 3.202 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.459 5.709 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.060 5.952 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.445 5.973 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.723 4.648 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.078 4.412 6.513 1.00 0.00 H new ATOM 912 N LEU A 61 8.540 3.248 0.928 1.00 0.00 N ATOM 913 CA LEU A 61 7.545 2.184 1.257 1.00 0.00 C ATOM 914 C LEU A 61 7.454 1.211 0.078 1.00 0.00 C ATOM 915 O LEU A 61 7.674 0.045 0.306 1.00 0.00 O ATOM 916 CB LEU A 61 6.208 2.880 1.557 1.00 0.00 C ATOM 917 CG LEU A 61 6.461 3.888 2.723 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.168 4.630 3.023 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.984 3.168 4.004 1.00 0.00 C ATOM 0 H LEU A 61 8.168 4.196 0.870 1.00 0.00 H new ATOM 0 HA LEU A 61 7.834 1.601 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.838 3.400 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.449 2.150 1.838 1.00 0.00 H new ATOM 0 HG LEU A 61 7.232 4.593 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.334 5.337 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.844 5.170 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.398 3.916 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.148 3.902 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.247 2.437 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.922 2.661 3.779 1.00 0.00 H new ATOM 931 N LYS A 62 7.140 1.660 -1.115 1.00 0.00 N ATOM 932 CA LYS A 62 7.055 0.741 -2.317 1.00 0.00 C ATOM 933 C LYS A 62 8.190 -0.312 -2.225 1.00 0.00 C ATOM 934 O LYS A 62 8.001 -1.510 -2.308 1.00 0.00 O ATOM 935 CB LYS A 62 7.226 1.583 -3.601 1.00 0.00 C ATOM 936 CG LYS A 62 7.078 0.703 -4.872 1.00 0.00 C ATOM 937 CD LYS A 62 7.608 1.458 -6.126 1.00 0.00 C ATOM 938 CE LYS A 62 6.955 2.851 -6.276 1.00 0.00 C ATOM 939 NZ LYS A 62 5.469 2.735 -6.304 1.00 0.00 N ATOM 0 H LYS A 62 6.934 2.638 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 62 6.090 0.234 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.483 2.380 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.206 2.061 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.629 -0.229 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.031 0.437 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.690 1.570 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.408 0.865 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.259 3.492 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.305 3.326 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.055 3.645 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.191 1.999 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.123 2.479 -5.357 1.00 0.00 H new ATOM 953 N GLU A 63 9.363 0.237 -2.047 1.00 0.00 N ATOM 954 CA GLU A 63 10.619 -0.550 -1.922 1.00 0.00 C ATOM 955 C GLU A 63 10.528 -1.552 -0.747 1.00 0.00 C ATOM 956 O GLU A 63 10.744 -2.744 -0.897 1.00 0.00 O ATOM 957 CB GLU A 63 11.769 0.497 -1.735 1.00 0.00 C ATOM 958 CG GLU A 63 13.147 -0.184 -1.539 1.00 0.00 C ATOM 959 CD GLU A 63 13.475 -1.102 -2.731 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.654 -0.555 -3.810 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.526 -2.296 -2.496 1.00 0.00 O ATOM 0 H GLU A 63 9.503 1.245 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 63 10.807 -1.161 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.809 1.152 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.550 1.127 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.922 0.575 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.143 -0.765 -0.617 1.00 0.00 H new ATOM 968 N LYS A 64 10.190 -1.025 0.403 1.00 0.00 N ATOM 969 CA LYS A 64 10.072 -1.864 1.627 1.00 0.00 C ATOM 970 C LYS A 64 9.100 -3.027 1.402 1.00 0.00 C ATOM 971 O LYS A 64 9.388 -4.142 1.779 1.00 0.00 O ATOM 972 CB LYS A 64 9.592 -0.968 2.785 1.00 0.00 C ATOM 973 CG LYS A 64 10.285 -1.452 4.068 1.00 0.00 C ATOM 974 CD LYS A 64 9.903 -0.544 5.251 1.00 0.00 C ATOM 975 CE LYS A 64 10.685 -0.996 6.497 1.00 0.00 C ATOM 976 NZ LYS A 64 12.154 -0.884 6.250 1.00 0.00 N ATOM 0 H LYS A 64 9.989 -0.035 0.544 1.00 0.00 H new ATOM 0 HA LYS A 64 11.042 -2.296 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.837 0.076 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.509 -1.026 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.995 -2.481 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.366 -1.447 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.133 0.496 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.831 -0.599 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.405 -0.383 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.427 -2.026 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.652 -0.789 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.489 -1.737 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.344 -0.048 5.661 1.00 0.00 H new ATOM 990 N TYR A 65 7.984 -2.720 0.789 1.00 0.00 N ATOM 991 CA TYR A 65 6.933 -3.731 0.491 1.00 0.00 C ATOM 992 C TYR A 65 7.571 -4.936 -0.155 1.00 0.00 C ATOM 993 O TYR A 65 7.444 -6.024 0.359 1.00 0.00 O ATOM 994 CB TYR A 65 5.858 -3.038 -0.424 1.00 0.00 C ATOM 995 CG TYR A 65 5.079 -4.004 -1.357 1.00 0.00 C ATOM 996 CD1 TYR A 65 4.664 -5.262 -0.950 1.00 0.00 C ATOM 997 CD2 TYR A 65 4.778 -3.604 -2.649 1.00 0.00 C ATOM 998 CE1 TYR A 65 3.972 -6.092 -1.808 1.00 0.00 C ATOM 999 CE2 TYR A 65 4.085 -4.434 -3.507 1.00 0.00 C ATOM 1000 CZ TYR A 65 3.679 -5.684 -3.093 1.00 0.00 C ATOM 1001 OH TYR A 65 2.985 -6.507 -3.956 1.00 0.00 O ATOM 0 H TYR A 65 7.755 -1.777 0.474 1.00 0.00 H new ATOM 0 HA TYR A 65 6.437 -4.089 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.144 -2.514 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.353 -2.284 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.885 -5.597 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.090 -2.628 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.657 -7.069 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.859 -4.101 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 65 2.171 -6.052 -4.258 1.00 0.00 H new ATOM 1011 N GLU A 66 8.234 -4.716 -1.253 1.00 0.00 N ATOM 1012 CA GLU A 66 8.906 -5.845 -1.965 1.00 0.00 C ATOM 1013 C GLU A 66 9.826 -6.674 -1.035 1.00 0.00 C ATOM 1014 O GLU A 66 10.013 -7.858 -1.235 1.00 0.00 O ATOM 1015 CB GLU A 66 9.733 -5.283 -3.090 1.00 0.00 C ATOM 1016 CG GLU A 66 8.844 -4.485 -4.083 1.00 0.00 C ATOM 1017 CD GLU A 66 8.695 -5.257 -5.407 1.00 0.00 C ATOM 1018 OE1 GLU A 66 9.707 -5.377 -6.083 1.00 0.00 O ATOM 1019 OE2 GLU A 66 7.584 -5.687 -5.670 1.00 0.00 O ATOM 0 H GLU A 66 8.342 -3.802 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 66 8.127 -6.512 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.510 -4.633 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.237 -6.093 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.862 -4.311 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.286 -3.507 -4.272 1.00 0.00 H new ATOM 1026 N LYS A 67 10.367 -6.011 -0.045 1.00 0.00 N ATOM 1027 CA LYS A 67 11.284 -6.688 0.936 1.00 0.00 C ATOM 1028 C LYS A 67 10.578 -7.284 2.154 1.00 0.00 C ATOM 1029 O LYS A 67 11.098 -8.128 2.858 1.00 0.00 O ATOM 1030 CB LYS A 67 12.321 -5.663 1.421 1.00 0.00 C ATOM 1031 CG LYS A 67 13.546 -5.658 0.515 1.00 0.00 C ATOM 1032 CD LYS A 67 13.216 -5.269 -0.938 1.00 0.00 C ATOM 1033 CE LYS A 67 14.512 -5.307 -1.763 1.00 0.00 C ATOM 1034 NZ LYS A 67 14.219 -4.976 -3.185 1.00 0.00 N ATOM 0 H LYS A 67 10.214 -5.018 0.132 1.00 0.00 H new ATOM 0 HA LYS A 67 11.740 -7.525 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.874 -4.669 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.620 -5.898 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.283 -4.961 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.004 -6.647 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.481 -5.957 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.775 -4.273 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.233 -4.597 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.966 -6.296 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.070 -5.135 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.449 -5.583 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.933 -3.979 -3.258 1.00 0.00 H new ATOM 1048 N ASP A 68 9.392 -6.804 2.328 1.00 0.00 N ATOM 1049 CA ASP A 68 8.499 -7.206 3.437 1.00 0.00 C ATOM 1050 C ASP A 68 7.599 -8.312 2.968 1.00 0.00 C ATOM 1051 O ASP A 68 7.087 -9.072 3.766 1.00 0.00 O ATOM 1052 CB ASP A 68 7.664 -6.007 3.853 1.00 0.00 C ATOM 1053 CG ASP A 68 8.508 -4.835 4.414 1.00 0.00 C ATOM 1054 OD1 ASP A 68 9.708 -4.994 4.585 1.00 0.00 O ATOM 1055 OD2 ASP A 68 7.879 -3.815 4.646 1.00 0.00 O ATOM 0 H ASP A 68 8.980 -6.106 1.708 1.00 0.00 H new ATOM 0 HA ASP A 68 9.087 -7.555 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.093 -5.655 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.943 -6.320 4.608 1.00 0.00 H new ATOM 1060 N ILE A 69 7.440 -8.365 1.674 1.00 0.00 N ATOM 1061 CA ILE A 69 6.574 -9.420 1.102 1.00 0.00 C ATOM 1062 C ILE A 69 7.491 -10.611 0.973 1.00 0.00 C ATOM 1063 O ILE A 69 7.105 -11.730 1.214 1.00 0.00 O ATOM 1064 CB ILE A 69 6.005 -8.930 -0.270 1.00 0.00 C ATOM 1065 CG1 ILE A 69 5.168 -10.014 -0.945 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.118 -8.625 -1.258 1.00 0.00 C ATOM 1067 CD1 ILE A 69 4.220 -10.642 0.045 1.00 0.00 C ATOM 0 H ILE A 69 7.868 -7.730 1.000 1.00 0.00 H new ATOM 0 HA ILE A 69 5.703 -9.669 1.708 1.00 0.00 H new ATOM 0 HB ILE A 69 5.414 -8.044 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.605 -9.584 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.822 -10.778 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.686 -8.287 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.760 -7.843 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.707 -9.525 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.631 -11.412 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.789 -11.090 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.553 -9.878 0.445 1.00 0.00 H new ATOM 1079 N ALA A 70 8.697 -10.319 0.596 1.00 0.00 N ATOM 1080 CA ALA A 70 9.716 -11.394 0.438 1.00 0.00 C ATOM 1081 C ALA A 70 9.912 -11.998 1.841 1.00 0.00 C ATOM 1082 O ALA A 70 10.102 -13.189 1.991 1.00 0.00 O ATOM 1083 CB ALA A 70 11.031 -10.783 -0.077 1.00 0.00 C ATOM 0 H ALA A 70 9.027 -9.377 0.388 1.00 0.00 H new ATOM 0 HA ALA A 70 9.404 -12.155 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.777 -11.569 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.857 -10.304 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.392 -10.043 0.637 1.00 0.00 H new ATOM 1089 N ALA A 71 9.838 -11.130 2.825 1.00 0.00 N ATOM 1090 CA ALA A 71 10.009 -11.545 4.247 1.00 0.00 C ATOM 1091 C ALA A 71 8.729 -12.205 4.771 1.00 0.00 C ATOM 1092 O ALA A 71 8.771 -13.005 5.685 1.00 0.00 O ATOM 1093 CB ALA A 71 10.337 -10.315 5.093 1.00 0.00 C ATOM 0 H ALA A 71 9.663 -10.134 2.694 1.00 0.00 H new ATOM 0 HA ALA A 71 10.823 -12.267 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.463 -10.613 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.259 -9.860 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.523 -9.594 5.018 1.00 0.00 H new ATOM 1099 N TYR A 72 7.622 -11.839 4.179 1.00 0.00 N ATOM 1100 CA TYR A 72 6.308 -12.418 4.602 1.00 0.00 C ATOM 1101 C TYR A 72 6.099 -13.826 4.029 1.00 0.00 C ATOM 1102 O TYR A 72 5.817 -14.738 4.779 1.00 0.00 O ATOM 1103 CB TYR A 72 5.222 -11.495 4.113 1.00 0.00 C ATOM 1104 CG TYR A 72 3.815 -12.114 4.169 1.00 0.00 C ATOM 1105 CD1 TYR A 72 3.154 -12.335 5.362 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.191 -12.459 2.988 1.00 0.00 C ATOM 1107 CE1 TYR A 72 1.889 -12.888 5.358 1.00 0.00 C ATOM 1108 CE2 TYR A 72 1.932 -13.007 2.985 1.00 0.00 C ATOM 1109 CZ TYR A 72 1.269 -13.228 4.170 1.00 0.00 C ATOM 1110 OH TYR A 72 0.004 -13.777 4.168 1.00 0.00 O ATOM 0 H TYR A 72 7.569 -11.162 3.418 1.00 0.00 H new ATOM 0 HA TYR A 72 6.285 -12.509 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.233 -10.585 4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.440 -11.203 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.627 -12.075 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.701 -12.295 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.378 -13.057 6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.460 -13.266 2.049 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.275 -13.952 3.245 1.00 0.00 H new ATOM 1120 N ARG A 73 6.252 -13.937 2.731 1.00 0.00 N ATOM 1121 CA ARG A 73 6.086 -15.226 1.989 1.00 0.00 C ATOM 1122 C ARG A 73 6.968 -16.253 2.668 1.00 0.00 C ATOM 1123 O ARG A 73 6.571 -17.384 2.873 1.00 0.00 O ATOM 1124 CB ARG A 73 6.534 -15.062 0.525 1.00 0.00 C ATOM 1125 CG ARG A 73 5.619 -14.080 -0.251 1.00 0.00 C ATOM 1126 CD ARG A 73 6.229 -13.849 -1.650 1.00 0.00 C ATOM 1127 NE ARG A 73 6.213 -15.152 -2.389 1.00 0.00 N ATOM 1128 CZ ARG A 73 5.727 -15.242 -3.600 1.00 0.00 C ATOM 1129 NH1 ARG A 73 4.659 -14.565 -3.932 1.00 0.00 N ATOM 1130 NH2 ARG A 73 6.344 -16.020 -4.446 1.00 0.00 N ATOM 0 H ARG A 73 6.496 -13.149 2.131 1.00 0.00 H new ATOM 0 HA ARG A 73 5.040 -15.534 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.562 -14.700 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.526 -16.034 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.612 -14.489 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.534 -13.136 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.658 -13.097 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.249 -13.474 -1.563 1.00 0.00 H new ATOM 0 HE ARG A 73 6.589 -15.986 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.202 -13.964 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.283 -14.637 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.176 -16.533 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.994 -16.116 -5.399 1.00 0.00 H new ATOM 1144 N ALA A 74 8.148 -15.769 2.975 1.00 0.00 N ATOM 1145 CA ALA A 74 9.202 -16.588 3.661 1.00 0.00 C ATOM 1146 C ALA A 74 8.563 -17.531 4.707 1.00 0.00 C ATOM 1147 O ALA A 74 8.979 -18.661 4.873 1.00 0.00 O ATOM 1148 CB ALA A 74 10.172 -15.620 4.320 1.00 0.00 C ATOM 0 H ALA A 74 8.434 -14.811 2.773 1.00 0.00 H new ATOM 0 HA ALA A 74 9.727 -17.218 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.955 -16.181 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.620 -14.980 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.637 -15.004 5.043 1.00 0.00 H new ATOM 1154 N LYS A 75 7.569 -16.951 5.347 1.00 0.00 N ATOM 1155 CA LYS A 75 6.691 -17.518 6.428 1.00 0.00 C ATOM 1156 C LYS A 75 6.965 -16.741 7.715 1.00 0.00 C ATOM 1157 O LYS A 75 7.472 -17.244 8.700 1.00 0.00 O ATOM 1158 CB LYS A 75 6.961 -19.041 6.654 1.00 0.00 C ATOM 1159 CG LYS A 75 5.852 -19.626 7.591 1.00 0.00 C ATOM 1160 CD LYS A 75 5.899 -21.179 7.587 1.00 0.00 C ATOM 1161 CE LYS A 75 5.582 -21.738 6.176 1.00 0.00 C ATOM 1162 NZ LYS A 75 4.255 -21.236 5.708 1.00 0.00 N ATOM 0 H LYS A 75 7.307 -15.990 5.129 1.00 0.00 H new ATOM 0 HA LYS A 75 5.647 -17.419 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.963 -19.568 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.945 -19.186 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.992 -19.255 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.871 -19.285 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.885 -21.518 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.181 -21.571 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.360 -21.438 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.579 -22.828 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.929 -21.812 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.566 -21.301 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.345 -20.244 5.408 1.00 0.00 H new ATOM 1176 N GLY A 76 6.596 -15.489 7.624 1.00 0.00 N ATOM 1177 CA GLY A 76 6.758 -14.534 8.748 1.00 0.00 C ATOM 1178 C GLY A 76 5.373 -14.161 9.253 1.00 0.00 C ATOM 1179 O GLY A 76 5.031 -13.004 9.400 1.00 0.00 O ATOM 0 H GLY A 76 6.176 -15.082 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.347 -14.983 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.295 -13.645 8.418 1.00 0.00 H new ATOM 1183 N LYS A 77 4.631 -15.205 9.499 1.00 0.00 N ATOM 1184 CA LYS A 77 3.240 -15.087 10.005 1.00 0.00 C ATOM 1185 C LYS A 77 3.340 -15.092 11.545 1.00 0.00 C ATOM 1186 O LYS A 77 4.193 -15.779 12.079 1.00 0.00 O ATOM 1187 CB LYS A 77 2.415 -16.300 9.545 1.00 0.00 C ATOM 1188 CG LYS A 77 2.410 -16.421 8.004 1.00 0.00 C ATOM 1189 CD LYS A 77 1.706 -17.733 7.539 1.00 0.00 C ATOM 1190 CE LYS A 77 0.179 -17.728 7.814 1.00 0.00 C ATOM 1191 NZ LYS A 77 -0.118 -17.898 9.267 1.00 0.00 N ATOM 0 H LYS A 77 4.945 -16.166 9.364 1.00 0.00 H new ATOM 0 HA LYS A 77 2.758 -14.183 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.826 -17.210 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.392 -16.206 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.901 -15.560 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.435 -16.405 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.878 -17.873 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.159 -18.583 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.252 -16.791 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.296 -18.530 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.917 -18.553 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.719 -18.283 9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.363 -16.976 9.681 1.00 0.00 H new ATOM 1205 N PRO A 78 2.486 -14.349 12.218 1.00 0.00 N ATOM 1206 CA PRO A 78 2.549 -14.182 13.702 1.00 0.00 C ATOM 1207 C PRO A 78 2.700 -15.526 14.430 1.00 0.00 C ATOM 1208 O PRO A 78 3.491 -15.668 15.344 1.00 0.00 O ATOM 1209 CB PRO A 78 1.246 -13.422 14.046 1.00 0.00 C ATOM 1210 CG PRO A 78 0.334 -13.707 12.820 1.00 0.00 C ATOM 1211 CD PRO A 78 1.326 -13.605 11.648 1.00 0.00 C ATOM 0 HA PRO A 78 3.427 -13.628 14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.801 -13.785 14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.425 -12.355 14.175 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.129 -14.692 12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.473 -12.980 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.943 -14.066 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.574 -12.573 11.402 1.00 0.00 H new ATOM 1219 N ASP A 79 1.914 -16.464 13.976 1.00 0.00 N ATOM 1220 CA ASP A 79 1.923 -17.831 14.566 1.00 0.00 C ATOM 1221 C ASP A 79 1.991 -18.902 13.468 1.00 0.00 C ATOM 1222 O ASP A 79 1.106 -19.730 13.393 1.00 0.00 O ATOM 1223 CB ASP A 79 0.641 -17.932 15.446 1.00 0.00 C ATOM 1224 CG ASP A 79 -0.571 -17.389 14.663 1.00 0.00 C ATOM 1225 OD1 ASP A 79 -1.024 -18.092 13.775 1.00 0.00 O ATOM 1226 OD2 ASP A 79 -0.969 -16.284 15.000 1.00 0.00 O ATOM 0 H ASP A 79 1.255 -16.337 13.208 1.00 0.00 H new ATOM 0 HA ASP A 79 2.806 -18.006 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.466 -18.969 15.733 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.775 -17.365 16.367 1.00 0.00 H new ATOM 1231 N ALA A 80 3.038 -18.829 12.671 1.00 0.00 N ATOM 1232 CA ALA A 80 3.317 -19.774 11.525 1.00 0.00 C ATOM 1233 C ALA A 80 2.177 -20.738 11.114 1.00 0.00 C ATOM 1234 O ALA A 80 1.654 -20.601 10.025 1.00 0.00 O ATOM 1235 CB ALA A 80 4.564 -20.607 11.883 1.00 0.00 C ATOM 0 H ALA A 80 3.753 -18.109 12.775 1.00 0.00 H new ATOM 0 HA ALA A 80 3.451 -19.130 10.656 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.786 -21.298 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.414 -19.942 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.375 -21.171 12.797 1.00 0.00 H new ATOM 1241 N ALA A 81 1.846 -21.654 11.999 1.00 0.00 N ATOM 1242 CA ALA A 81 0.768 -22.685 11.801 1.00 0.00 C ATOM 1243 C ALA A 81 0.345 -22.920 10.325 1.00 0.00 C ATOM 1244 O ALA A 81 -0.762 -22.565 9.950 1.00 0.00 O ATOM 1245 CB ALA A 81 -0.441 -22.234 12.677 1.00 0.00 C ATOM 1246 OXT ALA A 81 1.199 -23.454 9.638 1.00 0.00 O ATOM 0 H ALA A 81 2.309 -21.731 12.905 1.00 0.00 H new ATOM 0 HA ALA A 81 1.159 -23.656 12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.255 -22.951 12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.135 -22.186 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.779 -21.250 12.352 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -7.465 8.401 0.389 1.00 0.00 C HETATM 1254 C2 BME A 82 -6.540 9.616 0.485 1.00 0.00 C HETATM 1255 O1 BME A 82 -8.749 8.927 0.693 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.496 10.504 2.062 1.00 0.00 S HETATM 0 HO1 BME A 82 -8.653 9.709 1.276 1.00 0.00 H new HETATM 0 H22 BME A 82 -5.527 9.287 0.255 1.00 0.00 H new HETATM 0 H21 BME A 82 -6.830 10.323 -0.292 1.00 0.00 H new HETATM 0 H12 BME A 82 -7.440 7.957 -0.606 1.00 0.00 H new HETATM 0 H11 BME A 82 -7.175 7.621 1.093 1.00 0.00 H new