USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 46 MET CE :methyl -103:sc= -10.1! (180deg=-18.8!) USER MOD Set 1.2: A 51 GLN : amide:sc= -7.97! C(o=-22!,f=-25!) USER MOD Set 1.3: A 81 MET CE :methyl 165:sc= -2.85 (180deg=-3.84) USER MOD Set 1.4: A 85 GLN :FLIP amide:sc= -0.903 F(o=-26!,f=-22) USER MOD Single : A 3 MET CE :methyl -135:sc= -0.154 (180deg=-1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.55) USER MOD Single : A 7 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -148:sc= -0.502 (180deg=-2.26!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -175:sc= 0 (180deg=-0.049) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.93! C(o=-3.4!,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot -161:sc= -1.13 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -30:sc= 0.132 USER MOD Single : A 82 MET CE :methyl 145:sc= -9.2! (180deg=-14.5!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.426 -6.160 -11.426 1.00 0.00 N ATOM 25 CA MET A 3 64.391 -5.344 -10.179 1.00 0.00 C ATOM 26 C MET A 3 63.071 -4.574 -10.090 1.00 0.00 C ATOM 27 O MET A 3 62.586 -4.275 -9.017 1.00 0.00 O ATOM 28 CB MET A 3 65.568 -4.377 -10.306 1.00 0.00 C ATOM 29 CG MET A 3 66.698 -4.822 -9.376 1.00 0.00 C ATOM 30 SD MET A 3 68.085 -3.667 -9.514 1.00 0.00 S ATOM 31 CE MET A 3 68.590 -4.119 -11.191 1.00 0.00 C ATOM 0 HA MET A 3 64.463 -5.957 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.921 -4.350 -11.337 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.250 -3.366 -10.052 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.343 -4.858 -8.346 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.023 -5.829 -9.637 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.674 -4.224 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.124 -5.064 -11.469 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.277 -3.341 -11.887 1.00 0.00 H new ATOM 41 N THR A 4 62.486 -4.252 -11.212 1.00 0.00 N ATOM 42 CA THR A 4 61.198 -3.503 -11.194 1.00 0.00 C ATOM 43 C THR A 4 60.152 -4.268 -10.378 1.00 0.00 C ATOM 44 O THR A 4 59.139 -3.725 -9.985 1.00 0.00 O ATOM 45 CB THR A 4 60.772 -3.411 -12.660 1.00 0.00 C ATOM 46 OG1 THR A 4 59.631 -2.573 -12.768 1.00 0.00 O ATOM 47 CG2 THR A 4 60.433 -4.808 -13.185 1.00 0.00 C ATOM 0 H THR A 4 62.845 -4.476 -12.140 1.00 0.00 H new ATOM 0 HA THR A 4 61.300 -2.519 -10.737 1.00 0.00 H new ATOM 0 HB THR A 4 61.588 -2.993 -13.249 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.358 -2.512 -13.707 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.130 -4.740 -14.230 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.310 -5.450 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.618 -5.230 -12.597 1.00 0.00 H new ATOM 55 N ASP A 5 60.390 -5.526 -10.120 1.00 0.00 N ATOM 56 CA ASP A 5 59.407 -6.321 -9.328 1.00 0.00 C ATOM 57 C ASP A 5 59.692 -6.175 -7.831 1.00 0.00 C ATOM 58 O ASP A 5 58.799 -5.947 -7.040 1.00 0.00 O ATOM 59 CB ASP A 5 59.617 -7.768 -9.777 1.00 0.00 C ATOM 60 CG ASP A 5 58.735 -8.058 -10.992 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.931 -7.206 -11.333 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.878 -9.127 -11.562 1.00 0.00 O ATOM 0 H ASP A 5 61.220 -6.036 -10.422 1.00 0.00 H new ATOM 0 HA ASP A 5 58.381 -5.989 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.665 -7.934 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.371 -8.451 -8.964 1.00 0.00 H new ATOM 67 N GLN A 6 60.929 -6.302 -7.437 1.00 0.00 N ATOM 68 CA GLN A 6 61.268 -6.169 -5.991 1.00 0.00 C ATOM 69 C GLN A 6 61.161 -4.703 -5.558 1.00 0.00 C ATOM 70 O GLN A 6 61.257 -4.383 -4.390 1.00 0.00 O ATOM 71 CB GLN A 6 62.713 -6.658 -5.876 1.00 0.00 C ATOM 72 CG GLN A 6 62.722 -8.178 -5.702 1.00 0.00 C ATOM 73 CD GLN A 6 61.886 -8.556 -4.480 1.00 0.00 C ATOM 74 OE1 GLN A 6 61.126 -9.504 -4.518 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.995 -7.851 -3.386 1.00 0.00 N ATOM 0 H GLN A 6 61.720 -6.492 -8.053 1.00 0.00 H new ATOM 0 HA GLN A 6 60.593 -6.740 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.275 -6.380 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.204 -6.181 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.320 -8.659 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.745 -8.535 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 6 62.633 -7.055 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.443 -8.096 -2.564 1.00 0.00 H new ATOM 84 N GLN A 7 60.962 -3.812 -6.490 1.00 0.00 N ATOM 85 CA GLN A 7 60.848 -2.370 -6.130 1.00 0.00 C ATOM 86 C GLN A 7 59.451 -2.074 -5.578 1.00 0.00 C ATOM 87 O GLN A 7 59.282 -1.258 -4.695 1.00 0.00 O ATOM 88 CB GLN A 7 61.077 -1.614 -7.439 1.00 0.00 C ATOM 89 CG GLN A 7 61.800 -0.297 -7.149 1.00 0.00 C ATOM 90 CD GLN A 7 61.103 0.843 -7.894 1.00 0.00 C ATOM 91 OE1 GLN A 7 60.188 0.615 -8.660 1.00 0.00 O ATOM 92 NE2 GLN A 7 61.499 2.071 -7.700 1.00 0.00 N ATOM 0 H GLN A 7 60.873 -4.020 -7.485 1.00 0.00 H new ATOM 0 HA GLN A 7 61.564 -2.078 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.668 -2.222 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.123 -1.417 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.800 -0.098 -6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.842 -0.366 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 7 62.267 2.264 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 7 61.040 2.838 -8.191 1.00 0.00 H new ATOM 101 N ALA A 8 58.450 -2.733 -6.094 1.00 0.00 N ATOM 102 CA ALA A 8 57.064 -2.493 -5.602 1.00 0.00 C ATOM 103 C ALA A 8 56.756 -3.412 -4.417 1.00 0.00 C ATOM 104 O ALA A 8 56.050 -3.042 -3.499 1.00 0.00 O ATOM 105 CB ALA A 8 56.161 -2.829 -6.790 1.00 0.00 C ATOM 0 H ALA A 8 58.532 -3.428 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 8 56.920 -1.470 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.119 -2.678 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.408 -2.180 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.312 -3.869 -7.079 1.00 0.00 H new ATOM 111 N GLU A 9 57.277 -4.608 -4.430 1.00 0.00 N ATOM 112 CA GLU A 9 57.011 -5.549 -3.305 1.00 0.00 C ATOM 113 C GLU A 9 57.969 -5.274 -2.143 1.00 0.00 C ATOM 114 O GLU A 9 57.824 -5.817 -1.066 1.00 0.00 O ATOM 115 CB GLU A 9 57.259 -6.942 -3.885 1.00 0.00 C ATOM 116 CG GLU A 9 56.851 -8.002 -2.861 1.00 0.00 C ATOM 117 CD GLU A 9 56.777 -9.369 -3.546 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.224 -9.468 -4.676 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.273 -10.292 -2.927 1.00 0.00 O ATOM 0 H GLU A 9 57.875 -4.974 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 9 56.000 -5.444 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.688 -7.071 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.311 -7.057 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.572 -8.031 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.885 -7.749 -2.424 1.00 0.00 H new ATOM 126 N ALA A 10 58.947 -4.436 -2.349 1.00 0.00 N ATOM 127 CA ALA A 10 59.909 -4.131 -1.251 1.00 0.00 C ATOM 128 C ALA A 10 59.256 -3.204 -0.222 1.00 0.00 C ATOM 129 O ALA A 10 59.540 -3.277 0.958 1.00 0.00 O ATOM 130 CB ALA A 10 61.087 -3.435 -1.935 1.00 0.00 C ATOM 0 H ALA A 10 59.122 -3.950 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 10 60.224 -5.027 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.840 -3.178 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.524 -4.104 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.738 -2.527 -2.426 1.00 0.00 H new ATOM 136 N ARG A 11 58.382 -2.337 -0.655 1.00 0.00 N ATOM 137 CA ARG A 11 57.712 -1.412 0.310 1.00 0.00 C ATOM 138 C ARG A 11 56.286 -1.893 0.586 1.00 0.00 C ATOM 139 O ARG A 11 55.717 -1.614 1.622 1.00 0.00 O ATOM 140 CB ARG A 11 57.678 -0.010 -0.338 1.00 0.00 C ATOM 141 CG ARG A 11 58.448 0.026 -1.667 1.00 0.00 C ATOM 142 CD ARG A 11 57.517 -0.397 -2.806 1.00 0.00 C ATOM 143 NE ARG A 11 57.673 0.664 -3.842 1.00 0.00 N ATOM 144 CZ ARG A 11 56.760 0.821 -4.762 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.500 0.657 -4.466 1.00 0.00 N ATOM 146 NH2 ARG A 11 57.108 1.146 -5.976 1.00 0.00 N ATOM 0 H ARG A 11 58.102 -2.227 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 11 58.253 -1.385 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.643 0.285 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.107 0.718 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.832 1.029 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.309 -0.641 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.792 -1.376 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.484 -0.469 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 11 58.495 1.268 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.228 0.406 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.787 0.780 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 11 58.093 1.277 -6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.395 1.269 -6.695 1.00 0.00 H new ATOM 160 N ALA A 12 55.703 -2.614 -0.333 1.00 0.00 N ATOM 161 CA ALA A 12 54.314 -3.111 -0.118 1.00 0.00 C ATOM 162 C ALA A 12 54.302 -4.186 0.973 1.00 0.00 C ATOM 163 O ALA A 12 53.296 -4.423 1.612 1.00 0.00 O ATOM 164 CB ALA A 12 53.892 -3.703 -1.463 1.00 0.00 C ATOM 0 H ALA A 12 56.127 -2.880 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 12 53.637 -2.321 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.877 -4.092 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.927 -2.928 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.571 -4.512 -1.734 1.00 0.00 H new ATOM 170 N PHE A 13 55.412 -4.838 1.190 1.00 0.00 N ATOM 171 CA PHE A 13 55.462 -5.897 2.240 1.00 0.00 C ATOM 172 C PHE A 13 54.967 -5.341 3.580 1.00 0.00 C ATOM 173 O PHE A 13 54.606 -6.081 4.473 1.00 0.00 O ATOM 174 CB PHE A 13 56.937 -6.309 2.324 1.00 0.00 C ATOM 175 CG PHE A 13 57.718 -5.295 3.131 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.655 -3.935 2.803 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.510 -5.719 4.207 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.382 -3.000 3.549 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.236 -4.782 4.954 1.00 0.00 C ATOM 180 CZ PHE A 13 59.172 -3.423 4.625 1.00 0.00 C ATOM 0 H PHE A 13 56.286 -4.684 0.687 1.00 0.00 H new ATOM 0 HA PHE A 13 54.822 -6.747 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.021 -7.294 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.358 -6.388 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.045 -3.607 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.561 -6.768 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.334 -1.952 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.845 -5.108 5.784 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.732 -2.701 5.201 1.00 0.00 H new ATOM 190 N LEU A 14 54.945 -4.044 3.726 1.00 0.00 N ATOM 191 CA LEU A 14 54.471 -3.447 5.008 1.00 0.00 C ATOM 192 C LEU A 14 53.428 -2.362 4.734 1.00 0.00 C ATOM 193 O LEU A 14 53.070 -2.103 3.602 1.00 0.00 O ATOM 194 CB LEU A 14 55.718 -2.838 5.650 1.00 0.00 C ATOM 195 CG LEU A 14 56.557 -3.946 6.285 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.724 -3.327 7.057 1.00 0.00 C ATOM 197 CD2 LEU A 14 55.686 -4.758 7.246 1.00 0.00 C ATOM 0 H LEU A 14 55.234 -3.373 3.015 1.00 0.00 H new ATOM 0 HA LEU A 14 53.999 -4.186 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.304 -2.308 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 55.431 -2.106 6.405 1.00 0.00 H new ATOM 0 HG LEU A 14 56.945 -4.599 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.322 -4.118 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.346 -2.748 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 14 57.337 -2.673 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 14 56.284 -5.549 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 14 55.298 -4.104 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 54.855 -5.201 6.698 1.00 0.00 H new ATOM 209 N SER A 15 52.939 -1.725 5.762 1.00 0.00 N ATOM 210 CA SER A 15 51.920 -0.655 5.562 1.00 0.00 C ATOM 211 C SER A 15 52.602 0.652 5.148 1.00 0.00 C ATOM 212 O SER A 15 53.738 0.907 5.494 1.00 0.00 O ATOM 213 CB SER A 15 51.239 -0.499 6.920 1.00 0.00 C ATOM 214 OG SER A 15 50.384 -1.612 7.149 1.00 0.00 O ATOM 0 H SER A 15 53.201 -1.899 6.732 1.00 0.00 H new ATOM 0 HA SER A 15 51.207 -0.904 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.988 -0.433 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.664 0.427 6.947 1.00 0.00 H new ATOM 0 HG SER A 15 49.947 -1.515 8.021 1.00 0.00 H new ATOM 220 N GLU A 16 51.917 1.481 4.409 1.00 0.00 N ATOM 221 CA GLU A 16 52.526 2.771 3.975 1.00 0.00 C ATOM 222 C GLU A 16 53.074 3.533 5.185 1.00 0.00 C ATOM 223 O GLU A 16 53.980 4.333 5.068 1.00 0.00 O ATOM 224 CB GLU A 16 51.382 3.548 3.322 1.00 0.00 C ATOM 225 CG GLU A 16 51.944 4.771 2.594 1.00 0.00 C ATOM 226 CD GLU A 16 50.790 5.651 2.109 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.674 5.160 2.066 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.042 6.801 1.790 1.00 0.00 O ATOM 0 H GLU A 16 50.962 1.321 4.087 1.00 0.00 H new ATOM 0 HA GLU A 16 53.361 2.624 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.848 2.908 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.663 3.861 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.593 5.339 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.555 4.455 1.748 1.00 0.00 H new ATOM 235 N GLU A 17 52.528 3.291 6.345 1.00 0.00 N ATOM 236 CA GLU A 17 53.015 4.003 7.562 1.00 0.00 C ATOM 237 C GLU A 17 54.529 3.831 7.709 1.00 0.00 C ATOM 238 O GLU A 17 55.255 4.787 7.900 1.00 0.00 O ATOM 239 CB GLU A 17 52.286 3.335 8.730 1.00 0.00 C ATOM 240 CG GLU A 17 52.255 4.290 9.925 1.00 0.00 C ATOM 241 CD GLU A 17 51.645 3.575 11.132 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.442 3.379 11.134 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.393 3.237 12.035 1.00 0.00 O ATOM 0 H GLU A 17 51.766 2.632 6.503 1.00 0.00 H new ATOM 0 HA GLU A 17 52.821 5.075 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.270 3.071 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.789 2.408 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.264 4.628 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.671 5.177 9.680 1.00 0.00 H new ATOM 250 N MET A 18 55.010 2.621 7.624 1.00 0.00 N ATOM 251 CA MET A 18 56.478 2.392 7.761 1.00 0.00 C ATOM 252 C MET A 18 57.241 3.201 6.709 1.00 0.00 C ATOM 253 O MET A 18 58.198 3.882 7.014 1.00 0.00 O ATOM 254 CB MET A 18 56.672 0.894 7.530 1.00 0.00 C ATOM 255 CG MET A 18 58.166 0.584 7.420 1.00 0.00 C ATOM 256 SD MET A 18 58.599 -0.715 8.603 1.00 0.00 S ATOM 257 CE MET A 18 57.983 0.115 10.088 1.00 0.00 C ATOM 0 H MET A 18 54.452 1.782 7.466 1.00 0.00 H new ATOM 0 HA MET A 18 56.854 2.705 8.735 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.232 0.329 8.351 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.158 0.586 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.409 0.264 6.407 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.751 1.482 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.595 -0.169 10.944 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.033 1.195 9.949 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.949 -0.180 10.267 1.00 0.00 H new ATOM 267 N ILE A 19 56.825 3.134 5.474 1.00 0.00 N ATOM 268 CA ILE A 19 57.533 3.906 4.415 1.00 0.00 C ATOM 269 C ILE A 19 57.826 5.322 4.914 1.00 0.00 C ATOM 270 O ILE A 19 58.909 5.843 4.735 1.00 0.00 O ATOM 271 CB ILE A 19 56.567 3.940 3.231 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.358 2.514 2.710 1.00 0.00 C ATOM 273 CG2 ILE A 19 57.156 4.809 2.119 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.475 2.550 1.461 1.00 0.00 C ATOM 0 H ILE A 19 56.030 2.581 5.154 1.00 0.00 H new ATOM 0 HA ILE A 19 58.488 3.458 4.141 1.00 0.00 H new ATOM 0 HB ILE A 19 55.611 4.357 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.319 2.057 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.892 1.899 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.468 4.834 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.310 5.822 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.110 4.391 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.327 1.536 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.509 2.990 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.959 3.150 0.690 1.00 0.00 H new ATOM 286 N ALA A 20 56.871 5.946 5.549 1.00 0.00 N ATOM 287 CA ALA A 20 57.099 7.323 6.068 1.00 0.00 C ATOM 288 C ALA A 20 58.248 7.307 7.079 1.00 0.00 C ATOM 289 O ALA A 20 58.931 8.292 7.277 1.00 0.00 O ATOM 290 CB ALA A 20 55.787 7.716 6.748 1.00 0.00 C ATOM 0 H ALA A 20 55.944 5.561 5.730 1.00 0.00 H new ATOM 0 HA ALA A 20 57.370 8.028 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.876 8.722 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.977 7.691 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.571 7.015 7.554 1.00 0.00 H new ATOM 296 N GLU A 21 58.467 6.189 7.715 1.00 0.00 N ATOM 297 CA GLU A 21 59.573 6.097 8.708 1.00 0.00 C ATOM 298 C GLU A 21 60.923 6.120 7.986 1.00 0.00 C ATOM 299 O GLU A 21 61.860 6.760 8.421 1.00 0.00 O ATOM 300 CB GLU A 21 59.361 4.756 9.414 1.00 0.00 C ATOM 301 CG GLU A 21 60.418 4.581 10.506 1.00 0.00 C ATOM 302 CD GLU A 21 59.757 4.702 11.880 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.566 4.457 11.965 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.455 5.039 12.823 1.00 0.00 O ATOM 0 H GLU A 21 57.926 5.334 7.589 1.00 0.00 H new ATOM 0 HA GLU A 21 59.572 6.929 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.363 4.716 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.427 3.940 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.901 3.609 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.197 5.336 10.398 1.00 0.00 H new ATOM 311 N PHE A 22 61.026 5.427 6.885 1.00 0.00 N ATOM 312 CA PHE A 22 62.312 5.409 6.131 1.00 0.00 C ATOM 313 C PHE A 22 62.531 6.755 5.437 1.00 0.00 C ATOM 314 O PHE A 22 63.615 7.060 4.980 1.00 0.00 O ATOM 315 CB PHE A 22 62.151 4.291 5.097 1.00 0.00 C ATOM 316 CG PHE A 22 61.822 2.990 5.795 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.127 2.819 7.152 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.212 1.949 5.081 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.822 1.612 7.793 1.00 0.00 C ATOM 320 CE2 PHE A 22 60.908 0.742 5.723 1.00 0.00 C ATOM 321 CZ PHE A 22 61.214 0.574 7.079 1.00 0.00 C ATOM 0 H PHE A 22 60.275 4.872 6.475 1.00 0.00 H new ATOM 0 HA PHE A 22 63.171 5.241 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.360 4.546 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.069 4.182 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.598 3.619 7.704 1.00 0.00 H new ATOM 0 HD2 PHE A 22 60.976 2.078 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.056 1.482 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.438 -0.059 5.172 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.981 -0.357 7.574 1.00 0.00 H new ATOM 331 N LYS A 23 61.510 7.562 5.356 1.00 0.00 N ATOM 332 CA LYS A 23 61.657 8.889 4.693 1.00 0.00 C ATOM 333 C LYS A 23 62.659 9.756 5.459 1.00 0.00 C ATOM 334 O LYS A 23 63.743 10.033 4.987 1.00 0.00 O ATOM 335 CB LYS A 23 60.259 9.510 4.740 1.00 0.00 C ATOM 336 CG LYS A 23 60.174 10.657 3.732 1.00 0.00 C ATOM 337 CD LYS A 23 60.012 10.086 2.322 1.00 0.00 C ATOM 338 CE LYS A 23 59.558 11.197 1.372 1.00 0.00 C ATOM 339 NZ LYS A 23 58.712 10.511 0.356 1.00 0.00 N ATOM 0 H LYS A 23 60.579 7.360 5.720 1.00 0.00 H new ATOM 0 HA LYS A 23 62.031 8.803 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.507 8.755 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.047 9.878 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.331 11.305 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.073 11.270 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.956 9.662 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.282 9.276 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.994 11.964 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.411 11.692 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.362 11.208 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.277 9.791 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.905 10.055 0.827 1.00 0.00 H new ATOM 353 N ALA A 24 62.305 10.186 6.640 1.00 0.00 N ATOM 354 CA ALA A 24 63.238 11.033 7.436 1.00 0.00 C ATOM 355 C ALA A 24 64.567 10.303 7.645 1.00 0.00 C ATOM 356 O ALA A 24 65.611 10.913 7.767 1.00 0.00 O ATOM 357 CB ALA A 24 62.531 11.251 8.774 1.00 0.00 C ATOM 0 H ALA A 24 61.410 9.987 7.088 1.00 0.00 H new ATOM 0 HA ALA A 24 63.468 11.975 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.156 11.868 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.578 11.752 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.354 10.288 9.253 1.00 0.00 H new ATOM 363 N ALA A 25 64.536 8.999 7.687 1.00 0.00 N ATOM 364 CA ALA A 25 65.796 8.229 7.889 1.00 0.00 C ATOM 365 C ALA A 25 66.563 8.113 6.569 1.00 0.00 C ATOM 366 O ALA A 25 67.759 8.319 6.515 1.00 0.00 O ATOM 367 CB ALA A 25 65.344 6.849 8.368 1.00 0.00 C ATOM 0 H ALA A 25 63.693 8.434 7.590 1.00 0.00 H new ATOM 0 HA ALA A 25 66.464 8.711 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.217 6.220 8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.782 6.952 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.710 6.390 7.609 1.00 0.00 H new ATOM 373 N PHE A 26 65.884 7.783 5.504 1.00 0.00 N ATOM 374 CA PHE A 26 66.577 7.654 4.190 1.00 0.00 C ATOM 375 C PHE A 26 67.041 9.027 3.697 1.00 0.00 C ATOM 376 O PHE A 26 68.101 9.163 3.119 1.00 0.00 O ATOM 377 CB PHE A 26 65.527 7.070 3.244 1.00 0.00 C ATOM 378 CG PHE A 26 66.094 7.000 1.846 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.032 8.121 1.008 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.683 5.815 1.388 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.559 8.056 -0.288 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.210 5.751 0.092 1.00 0.00 C ATOM 383 CZ PHE A 26 67.147 6.870 -0.745 1.00 0.00 C ATOM 0 H PHE A 26 64.881 7.597 5.487 1.00 0.00 H new ATOM 0 HA PHE A 26 67.465 7.025 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.233 6.075 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.629 7.688 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.578 9.035 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.731 4.951 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.512 8.920 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.665 4.838 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.552 6.819 -1.745 1.00 0.00 H new ATOM 393 N ASP A 27 66.256 10.046 3.920 1.00 0.00 N ATOM 394 CA ASP A 27 66.656 11.408 3.461 1.00 0.00 C ATOM 395 C ASP A 27 67.843 11.917 4.282 1.00 0.00 C ATOM 396 O ASP A 27 68.401 12.959 4.004 1.00 0.00 O ATOM 397 CB ASP A 27 65.426 12.284 3.695 1.00 0.00 C ATOM 398 CG ASP A 27 64.727 12.553 2.360 1.00 0.00 C ATOM 399 OD1 ASP A 27 63.883 11.756 1.984 1.00 0.00 O ATOM 400 OD2 ASP A 27 65.050 13.550 1.735 1.00 0.00 O ATOM 0 H ASP A 27 65.357 9.995 4.399 1.00 0.00 H new ATOM 0 HA ASP A 27 66.968 11.415 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.740 11.790 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.720 13.225 4.159 1.00 0.00 H new ATOM 405 N MET A 28 68.232 11.190 5.294 1.00 0.00 N ATOM 406 CA MET A 28 69.384 11.636 6.130 1.00 0.00 C ATOM 407 C MET A 28 70.619 11.849 5.254 1.00 0.00 C ATOM 408 O MET A 28 71.553 12.527 5.634 1.00 0.00 O ATOM 409 CB MET A 28 69.622 10.495 7.120 1.00 0.00 C ATOM 410 CG MET A 28 68.557 10.540 8.216 1.00 0.00 C ATOM 411 SD MET A 28 69.343 10.333 9.833 1.00 0.00 S ATOM 412 CE MET A 28 68.386 11.592 10.713 1.00 0.00 C ATOM 0 H MET A 28 67.804 10.309 5.578 1.00 0.00 H new ATOM 0 HA MET A 28 69.185 12.580 6.637 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.586 9.537 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.616 10.582 7.560 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.022 11.489 8.179 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.821 9.753 8.055 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.712 11.636 11.752 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.542 12.563 10.242 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.327 11.336 10.676 1.00 0.00 H new ATOM 422 N PHE A 29 70.635 11.268 4.086 1.00 0.00 N ATOM 423 CA PHE A 29 71.819 11.431 3.189 1.00 0.00 C ATOM 424 C PHE A 29 71.375 11.928 1.811 1.00 0.00 C ATOM 425 O PHE A 29 72.052 11.733 0.821 1.00 0.00 O ATOM 426 CB PHE A 29 72.447 10.033 3.077 1.00 0.00 C ATOM 427 CG PHE A 29 72.236 9.267 4.364 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.153 9.390 5.413 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.115 8.442 4.506 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.948 8.688 6.607 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.910 7.739 5.697 1.00 0.00 C ATOM 432 CZ PHE A 29 71.826 7.861 6.749 1.00 0.00 C ATOM 0 H PHE A 29 69.883 10.689 3.713 1.00 0.00 H new ATOM 0 HA PHE A 29 72.527 12.161 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.001 9.490 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.513 10.120 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.019 10.026 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.408 8.348 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.654 8.784 7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.045 7.102 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.668 7.318 7.669 1.00 0.00 H new ATOM 442 N ASP A 30 70.240 12.569 1.738 1.00 0.00 N ATOM 443 CA ASP A 30 69.755 13.078 0.423 1.00 0.00 C ATOM 444 C ASP A 30 70.037 14.578 0.299 1.00 0.00 C ATOM 445 O ASP A 30 69.286 15.313 -0.312 1.00 0.00 O ATOM 446 CB ASP A 30 68.249 12.815 0.429 1.00 0.00 C ATOM 447 CG ASP A 30 67.938 11.602 -0.451 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.874 11.015 -0.967 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.769 11.281 -0.592 1.00 0.00 O ATOM 0 H ASP A 30 69.628 12.762 2.531 1.00 0.00 H new ATOM 0 HA ASP A 30 70.251 12.592 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.905 12.636 1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.715 13.691 0.061 1.00 0.00 H new ATOM 490 N GLY A 35 65.833 12.375 -3.397 1.00 0.00 N ATOM 491 CA GLY A 35 65.060 11.102 -3.418 1.00 0.00 C ATOM 492 C GLY A 35 66.021 9.925 -3.603 1.00 0.00 C ATOM 493 O GLY A 35 65.611 8.813 -3.872 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.502 10.987 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.330 11.120 -4.228 1.00 0.00 H new ATOM 497 N ASP A 36 67.297 10.161 -3.462 1.00 0.00 N ATOM 498 CA ASP A 36 68.282 9.055 -3.631 1.00 0.00 C ATOM 499 C ASP A 36 69.632 9.448 -3.026 1.00 0.00 C ATOM 500 O ASP A 36 70.221 10.446 -3.391 1.00 0.00 O ATOM 501 CB ASP A 36 68.409 8.865 -5.143 1.00 0.00 C ATOM 502 CG ASP A 36 68.573 10.228 -5.817 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.664 10.770 -5.754 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.605 10.707 -6.384 1.00 0.00 O ATOM 0 H ASP A 36 67.700 11.071 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 36 67.964 8.141 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.266 8.230 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.525 8.359 -5.532 1.00 0.00 H new ATOM 509 N ILE A 37 70.130 8.667 -2.105 1.00 0.00 N ATOM 510 CA ILE A 37 71.445 8.996 -1.483 1.00 0.00 C ATOM 511 C ILE A 37 72.574 8.290 -2.237 1.00 0.00 C ATOM 512 O ILE A 37 72.350 7.342 -2.962 1.00 0.00 O ATOM 513 CB ILE A 37 71.348 8.478 -0.048 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.280 6.949 -0.058 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.086 9.037 0.611 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.127 6.438 1.376 1.00 0.00 C ATOM 0 H ILE A 37 69.685 7.818 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 37 71.662 10.064 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 37 72.226 8.799 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.439 6.615 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.183 6.537 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.016 8.668 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.132 10.126 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.209 8.716 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.078 5.349 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.982 6.760 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.211 6.840 1.810 1.00 0.00 H new ATOM 528 N SER A 38 73.786 8.744 -2.073 1.00 0.00 N ATOM 529 CA SER A 38 74.925 8.095 -2.784 1.00 0.00 C ATOM 530 C SER A 38 74.963 6.599 -2.461 1.00 0.00 C ATOM 531 O SER A 38 74.855 6.198 -1.319 1.00 0.00 O ATOM 532 CB SER A 38 76.175 8.792 -2.251 1.00 0.00 C ATOM 533 OG SER A 38 76.865 9.408 -3.329 1.00 0.00 O ATOM 0 H SER A 38 74.037 9.534 -1.479 1.00 0.00 H new ATOM 0 HA SER A 38 74.842 8.184 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.899 9.539 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.824 8.071 -1.754 1.00 0.00 H new ATOM 0 HG SER A 38 77.667 9.858 -2.990 1.00 0.00 H new ATOM 539 N THR A 39 75.115 5.772 -3.458 1.00 0.00 N ATOM 540 CA THR A 39 75.159 4.303 -3.205 1.00 0.00 C ATOM 541 C THR A 39 76.140 3.992 -2.072 1.00 0.00 C ATOM 542 O THR A 39 75.993 3.018 -1.359 1.00 0.00 O ATOM 543 CB THR A 39 75.642 3.690 -4.520 1.00 0.00 C ATOM 544 OG1 THR A 39 76.679 4.494 -5.062 1.00 0.00 O ATOM 545 CG2 THR A 39 74.477 3.620 -5.508 1.00 0.00 C ATOM 0 H THR A 39 75.211 6.048 -4.435 1.00 0.00 H new ATOM 0 HA THR A 39 74.190 3.905 -2.903 1.00 0.00 H new ATOM 0 HB THR A 39 76.021 2.685 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.991 4.102 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.821 3.183 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.682 3.003 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.097 4.624 -5.694 1.00 0.00 H new ATOM 553 N LYS A 40 77.141 4.812 -1.899 1.00 0.00 N ATOM 554 CA LYS A 40 78.128 4.562 -0.809 1.00 0.00 C ATOM 555 C LYS A 40 77.457 4.737 0.555 1.00 0.00 C ATOM 556 O LYS A 40 77.780 4.059 1.510 1.00 0.00 O ATOM 557 CB LYS A 40 79.217 5.616 -1.012 1.00 0.00 C ATOM 558 CG LYS A 40 80.345 5.384 -0.007 1.00 0.00 C ATOM 559 CD LYS A 40 81.437 4.528 -0.654 1.00 0.00 C ATOM 560 CE LYS A 40 82.452 4.105 0.408 1.00 0.00 C ATOM 561 NZ LYS A 40 83.590 5.053 0.251 1.00 0.00 N ATOM 0 H LYS A 40 77.318 5.643 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 40 78.532 3.550 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.605 5.562 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.800 6.615 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.760 6.338 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.958 4.887 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.995 3.648 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.935 5.091 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.024 4.164 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.773 3.074 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.329 4.827 0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.981 4.970 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.255 6.026 0.405 1.00 0.00 H new ATOM 575 N GLU A 41 76.522 5.642 0.651 1.00 0.00 N ATOM 576 CA GLU A 41 75.823 5.862 1.950 1.00 0.00 C ATOM 577 C GLU A 41 74.575 4.979 2.029 1.00 0.00 C ATOM 578 O GLU A 41 73.752 5.124 2.911 1.00 0.00 O ATOM 579 CB GLU A 41 75.438 7.343 1.941 1.00 0.00 C ATOM 580 CG GLU A 41 74.708 7.691 3.238 1.00 0.00 C ATOM 581 CD GLU A 41 75.498 8.755 4.002 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.752 9.802 3.428 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.836 8.506 5.146 1.00 0.00 O ATOM 0 H GLU A 41 76.211 6.240 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 41 76.445 5.609 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.330 7.960 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.800 7.558 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.706 8.057 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.592 6.798 3.853 1.00 0.00 H new ATOM 590 N LEU A 42 74.430 4.064 1.107 1.00 0.00 N ATOM 591 CA LEU A 42 73.237 3.168 1.119 1.00 0.00 C ATOM 592 C LEU A 42 73.344 2.147 2.256 1.00 0.00 C ATOM 593 O LEU A 42 72.370 1.534 2.646 1.00 0.00 O ATOM 594 CB LEU A 42 73.266 2.461 -0.237 1.00 0.00 C ATOM 595 CG LEU A 42 72.144 1.421 -0.297 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.097 1.859 -1.322 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.727 0.066 -0.711 1.00 0.00 C ATOM 0 H LEU A 42 75.088 3.898 0.345 1.00 0.00 H new ATOM 0 HA LEU A 42 72.310 3.719 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.145 3.188 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.232 1.978 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 42 71.677 1.333 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.298 1.119 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.683 2.824 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.563 1.947 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.929 -0.675 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.193 0.155 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.474 -0.247 0.018 1.00 0.00 H new ATOM 609 N GLY A 43 74.520 1.955 2.788 1.00 0.00 N ATOM 610 CA GLY A 43 74.682 0.970 3.893 1.00 0.00 C ATOM 611 C GLY A 43 74.299 1.619 5.224 1.00 0.00 C ATOM 612 O GLY A 43 73.777 0.975 6.112 1.00 0.00 O ATOM 0 H GLY A 43 75.374 2.437 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.055 0.097 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.713 0.619 3.932 1.00 0.00 H new ATOM 616 N THR A 44 74.558 2.890 5.373 1.00 0.00 N ATOM 617 CA THR A 44 74.208 3.574 6.652 1.00 0.00 C ATOM 618 C THR A 44 72.696 3.798 6.740 1.00 0.00 C ATOM 619 O THR A 44 72.098 3.649 7.787 1.00 0.00 O ATOM 620 CB THR A 44 74.947 4.911 6.602 1.00 0.00 C ATOM 621 OG1 THR A 44 76.331 4.696 6.849 1.00 0.00 O ATOM 622 CG2 THR A 44 74.378 5.852 7.665 1.00 0.00 C ATOM 0 H THR A 44 74.995 3.483 4.668 1.00 0.00 H new ATOM 0 HA THR A 44 74.490 2.984 7.524 1.00 0.00 H new ATOM 0 HB THR A 44 74.818 5.360 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.806 5.552 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.906 6.805 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.318 6.017 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.504 5.405 8.651 1.00 0.00 H new ATOM 630 N VAL A 45 72.075 4.161 5.651 1.00 0.00 N ATOM 631 CA VAL A 45 70.603 4.401 5.678 1.00 0.00 C ATOM 632 C VAL A 45 69.857 3.144 6.141 1.00 0.00 C ATOM 633 O VAL A 45 68.984 3.208 6.984 1.00 0.00 O ATOM 634 CB VAL A 45 70.226 4.748 4.236 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.662 3.619 3.302 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.710 4.929 4.139 1.00 0.00 C ATOM 0 H VAL A 45 72.522 4.302 4.745 1.00 0.00 H new ATOM 0 HA VAL A 45 70.335 5.197 6.373 1.00 0.00 H new ATOM 0 HB VAL A 45 70.727 5.671 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.392 3.870 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.742 3.487 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.164 2.694 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.438 5.176 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.214 4.004 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.397 5.736 4.802 1.00 0.00 H new ATOM 646 N MET A 46 70.185 2.001 5.598 1.00 0.00 N ATOM 647 CA MET A 46 69.484 0.751 6.014 1.00 0.00 C ATOM 648 C MET A 46 70.066 0.226 7.331 1.00 0.00 C ATOM 649 O MET A 46 69.408 -0.477 8.073 1.00 0.00 O ATOM 650 CB MET A 46 69.725 -0.241 4.872 1.00 0.00 C ATOM 651 CG MET A 46 71.124 -0.849 4.992 1.00 0.00 C ATOM 652 SD MET A 46 71.000 -2.493 5.739 1.00 0.00 S ATOM 653 CE MET A 46 69.833 -3.195 4.546 1.00 0.00 C ATOM 0 H MET A 46 70.906 1.879 4.887 1.00 0.00 H new ATOM 0 HA MET A 46 68.420 0.912 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 46 68.973 -1.030 4.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.621 0.265 3.912 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.589 -0.918 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.761 -0.207 5.601 1.00 0.00 H new ATOM 0 HE1 MET A 46 68.836 -3.222 4.985 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.817 -2.579 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.143 -4.207 4.286 1.00 0.00 H new ATOM 663 N ARG A 47 71.292 0.562 7.628 1.00 0.00 N ATOM 664 CA ARG A 47 71.908 0.079 8.898 1.00 0.00 C ATOM 665 C ARG A 47 71.425 0.930 10.077 1.00 0.00 C ATOM 666 O ARG A 47 71.040 0.416 11.108 1.00 0.00 O ATOM 667 CB ARG A 47 73.415 0.245 8.699 1.00 0.00 C ATOM 668 CG ARG A 47 74.153 -0.328 9.911 1.00 0.00 C ATOM 669 CD ARG A 47 75.041 0.753 10.530 1.00 0.00 C ATOM 670 NE ARG A 47 76.433 0.355 10.177 1.00 0.00 N ATOM 671 CZ ARG A 47 77.442 1.062 10.607 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.241 2.248 11.113 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.654 0.583 10.528 1.00 0.00 N ATOM 0 H ARG A 47 71.893 1.148 7.048 1.00 0.00 H new ATOM 0 HA ARG A 47 71.639 -0.954 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.732 -0.267 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.663 1.299 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.436 -0.690 10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.759 -1.182 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.799 1.739 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.907 0.804 11.610 1.00 0.00 H new ATOM 0 HE ARG A 47 76.597 -0.470 9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.294 2.623 11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.030 2.800 11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.811 -0.343 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.443 1.135 10.864 1.00 0.00 H new ATOM 687 N MET A 48 71.443 2.228 9.932 1.00 0.00 N ATOM 688 CA MET A 48 70.984 3.108 11.046 1.00 0.00 C ATOM 689 C MET A 48 69.481 2.928 11.272 1.00 0.00 C ATOM 690 O MET A 48 68.922 3.436 12.223 1.00 0.00 O ATOM 691 CB MET A 48 71.288 4.532 10.581 1.00 0.00 C ATOM 692 CG MET A 48 71.605 5.409 11.793 1.00 0.00 C ATOM 693 SD MET A 48 70.162 6.422 12.200 1.00 0.00 S ATOM 694 CE MET A 48 70.941 8.036 11.951 1.00 0.00 C ATOM 0 H MET A 48 71.755 2.716 9.093 1.00 0.00 H new ATOM 0 HA MET A 48 71.480 2.874 11.988 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.132 4.528 9.891 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.435 4.938 10.038 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.877 4.786 12.645 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.462 6.048 11.579 1.00 0.00 H new ATOM 0 HE1 MET A 48 70.244 8.824 12.237 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.839 8.105 12.565 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.209 8.152 10.901 1.00 0.00 H new ATOM 704 N LEU A 49 68.826 2.208 10.404 1.00 0.00 N ATOM 705 CA LEU A 49 67.360 1.994 10.568 1.00 0.00 C ATOM 706 C LEU A 49 67.100 0.829 11.526 1.00 0.00 C ATOM 707 O LEU A 49 66.011 0.663 12.037 1.00 0.00 O ATOM 708 CB LEU A 49 66.850 1.660 9.167 1.00 0.00 C ATOM 709 CG LEU A 49 66.614 2.953 8.385 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.331 2.619 6.918 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.414 3.695 8.977 1.00 0.00 C ATOM 0 H LEU A 49 69.242 1.758 9.588 1.00 0.00 H new ATOM 0 HA LEU A 49 66.859 2.867 10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.574 1.034 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.924 1.089 9.233 1.00 0.00 H new ATOM 0 HG LEU A 49 67.501 3.583 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.163 3.541 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.184 2.089 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.444 1.989 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.245 4.617 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.528 3.064 8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.613 3.934 10.022 1.00 0.00 H new ATOM 723 N GLY A 50 68.096 0.022 11.779 1.00 0.00 N ATOM 724 CA GLY A 50 67.904 -1.127 12.710 1.00 0.00 C ATOM 725 C GLY A 50 68.385 -2.425 12.055 1.00 0.00 C ATOM 726 O GLY A 50 68.148 -3.506 12.558 1.00 0.00 O ATOM 0 H GLY A 50 69.032 0.109 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.455 -0.952 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.851 -1.215 12.978 1.00 0.00 H new ATOM 730 N GLN A 51 69.061 -2.338 10.941 1.00 0.00 N ATOM 731 CA GLN A 51 69.550 -3.579 10.271 1.00 0.00 C ATOM 732 C GLN A 51 71.080 -3.581 10.215 1.00 0.00 C ATOM 733 O GLN A 51 71.736 -2.810 10.888 1.00 0.00 O ATOM 734 CB GLN A 51 68.959 -3.541 8.860 1.00 0.00 C ATOM 735 CG GLN A 51 67.482 -3.145 8.925 1.00 0.00 C ATOM 736 CD GLN A 51 67.243 -1.917 8.044 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.810 -1.799 6.977 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.418 -0.991 8.449 1.00 0.00 N ATOM 0 H GLN A 51 69.295 -1.466 10.467 1.00 0.00 H new ATOM 0 HA GLN A 51 69.249 -4.479 10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.509 -2.829 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.062 -4.517 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.858 -3.973 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.198 -2.928 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.941 -1.089 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.250 -0.169 7.869 1.00 0.00 H new ATOM 747 N ASN A 52 71.656 -4.442 9.422 1.00 0.00 N ATOM 748 CA ASN A 52 73.144 -4.492 9.329 1.00 0.00 C ATOM 749 C ASN A 52 73.575 -4.999 7.949 1.00 0.00 C ATOM 750 O ASN A 52 73.665 -6.190 7.725 1.00 0.00 O ATOM 751 CB ASN A 52 73.576 -5.472 10.419 1.00 0.00 C ATOM 752 CG ASN A 52 72.883 -5.113 11.734 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.302 -4.082 12.418 1.00 0.00 O flip ATOM 754 ND2 ASN A 52 71.951 -5.775 12.144 1.00 0.00 N flip ATOM 0 H ASN A 52 71.162 -5.113 8.834 1.00 0.00 H new ATOM 0 HA ASN A 52 73.598 -3.510 9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 52 73.321 -6.491 10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 52 74.658 -5.438 10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 52 71.623 -6.580 11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 52 71.496 -5.526 13.022 1.00 0.00 H new ATOM 761 N PRO A 53 73.827 -4.070 7.068 1.00 0.00 N ATOM 762 CA PRO A 53 74.254 -4.417 5.693 1.00 0.00 C ATOM 763 C PRO A 53 75.736 -4.803 5.673 1.00 0.00 C ATOM 764 O PRO A 53 76.598 -4.005 5.984 1.00 0.00 O ATOM 765 CB PRO A 53 74.023 -3.129 4.912 1.00 0.00 C ATOM 766 CG PRO A 53 74.094 -2.030 5.928 1.00 0.00 C ATOM 767 CD PRO A 53 73.735 -2.621 7.271 1.00 0.00 C ATOM 0 HA PRO A 53 73.712 -5.267 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.779 -2.998 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 53 73.054 -3.141 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 53 75.095 -1.599 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.407 -1.225 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 53 74.420 -2.284 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.732 -2.326 7.580 1.00 0.00 H new ATOM 775 N THR A 54 76.039 -6.017 5.306 1.00 0.00 N ATOM 776 CA THR A 54 77.468 -6.446 5.263 1.00 0.00 C ATOM 777 C THR A 54 78.151 -5.866 4.022 1.00 0.00 C ATOM 778 O THR A 54 77.526 -5.651 3.003 1.00 0.00 O ATOM 779 CB THR A 54 77.430 -7.975 5.188 1.00 0.00 C ATOM 780 OG1 THR A 54 76.086 -8.415 5.038 1.00 0.00 O ATOM 781 CG2 THR A 54 78.021 -8.565 6.470 1.00 0.00 C ATOM 0 H THR A 54 75.362 -6.730 5.034 1.00 0.00 H new ATOM 0 HA THR A 54 78.028 -6.099 6.131 1.00 0.00 H new ATOM 0 HB THR A 54 78.016 -8.308 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.021 -9.360 5.288 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.994 -9.653 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 54 79.053 -8.233 6.581 1.00 0.00 H new ATOM 0 HG23 THR A 54 77.438 -8.230 7.328 1.00 0.00 H new ATOM 789 N LYS A 55 79.428 -5.607 4.099 1.00 0.00 N ATOM 790 CA LYS A 55 80.144 -5.039 2.921 1.00 0.00 C ATOM 791 C LYS A 55 79.955 -5.942 1.700 1.00 0.00 C ATOM 792 O LYS A 55 79.403 -5.535 0.697 1.00 0.00 O ATOM 793 CB LYS A 55 81.616 -4.995 3.333 1.00 0.00 C ATOM 794 CG LYS A 55 82.398 -4.141 2.333 1.00 0.00 C ATOM 795 CD LYS A 55 83.834 -4.658 2.232 1.00 0.00 C ATOM 796 CE LYS A 55 84.569 -3.911 1.118 1.00 0.00 C ATOM 797 NZ LYS A 55 85.986 -3.839 1.574 1.00 0.00 N ATOM 0 H LYS A 55 80.006 -5.764 4.925 1.00 0.00 H new ATOM 0 HA LYS A 55 79.768 -4.053 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.712 -4.580 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 82.026 -6.004 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.918 -4.177 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.397 -3.098 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 55 84.350 -4.516 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.833 -5.729 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.486 -4.438 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.151 -2.915 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.555 -3.339 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 86.034 -3.326 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 86.359 -4.801 1.702 1.00 0.00 H new ATOM 811 N GLU A 56 80.407 -7.163 1.776 1.00 0.00 N ATOM 812 CA GLU A 56 80.251 -8.087 0.616 1.00 0.00 C ATOM 813 C GLU A 56 78.814 -8.031 0.090 1.00 0.00 C ATOM 814 O GLU A 56 78.579 -7.968 -1.100 1.00 0.00 O ATOM 815 CB GLU A 56 80.567 -9.477 1.169 1.00 0.00 C ATOM 816 CG GLU A 56 79.671 -9.764 2.376 1.00 0.00 C ATOM 817 CD GLU A 56 80.271 -10.905 3.197 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.671 -11.891 2.601 1.00 0.00 O ATOM 819 OE2 GLU A 56 80.321 -10.775 4.409 1.00 0.00 O ATOM 0 H GLU A 56 80.877 -7.561 2.589 1.00 0.00 H new ATOM 0 HA GLU A 56 80.905 -7.823 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.409 -10.231 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 56 81.616 -9.534 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.575 -8.870 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.668 -10.030 2.043 1.00 0.00 H new ATOM 826 N GLU A 57 77.850 -8.052 0.971 1.00 0.00 N ATOM 827 CA GLU A 57 76.429 -7.996 0.521 1.00 0.00 C ATOM 828 C GLU A 57 76.080 -6.580 0.058 1.00 0.00 C ATOM 829 O GLU A 57 75.555 -6.380 -1.019 1.00 0.00 O ATOM 830 CB GLU A 57 75.609 -8.380 1.754 1.00 0.00 C ATOM 831 CG GLU A 57 76.113 -9.714 2.307 1.00 0.00 C ATOM 832 CD GLU A 57 74.937 -10.680 2.466 1.00 0.00 C ATOM 833 OE1 GLU A 57 74.106 -10.722 1.574 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.887 -11.360 3.477 1.00 0.00 O ATOM 0 H GLU A 57 77.985 -8.105 1.981 1.00 0.00 H new ATOM 0 HA GLU A 57 76.232 -8.661 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.692 -7.604 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.554 -8.458 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 57 76.858 -10.140 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 76.602 -9.559 3.269 1.00 0.00 H new ATOM 841 N LEU A 58 76.371 -5.594 0.862 1.00 0.00 N ATOM 842 CA LEU A 58 76.062 -4.191 0.467 1.00 0.00 C ATOM 843 C LEU A 58 76.721 -3.869 -0.877 1.00 0.00 C ATOM 844 O LEU A 58 76.206 -3.098 -1.663 1.00 0.00 O ATOM 845 CB LEU A 58 76.653 -3.332 1.587 1.00 0.00 C ATOM 846 CG LEU A 58 76.835 -1.895 1.097 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.520 -1.383 0.506 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.245 -1.005 2.273 1.00 0.00 C ATOM 0 H LEU A 58 76.810 -5.700 1.777 1.00 0.00 H new ATOM 0 HA LEU A 58 74.994 -4.014 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.995 -3.349 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.612 -3.742 1.905 1.00 0.00 H new ATOM 0 HG LEU A 58 77.610 -1.869 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.652 -0.359 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.226 -2.016 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.743 -1.409 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.375 0.020 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.469 -1.033 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.183 -1.367 2.694 1.00 0.00 H new ATOM 860 N ASP A 59 77.854 -4.456 -1.150 1.00 0.00 N ATOM 861 CA ASP A 59 78.538 -4.183 -2.445 1.00 0.00 C ATOM 862 C ASP A 59 77.731 -4.785 -3.598 1.00 0.00 C ATOM 863 O ASP A 59 77.554 -4.171 -4.631 1.00 0.00 O ATOM 864 CB ASP A 59 79.901 -4.867 -2.329 1.00 0.00 C ATOM 865 CG ASP A 59 80.999 -3.804 -2.261 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.481 -3.412 -3.310 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.341 -3.404 -1.161 1.00 0.00 O ATOM 0 H ASP A 59 78.335 -5.111 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 59 78.637 -3.116 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.931 -5.494 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.066 -5.522 -3.185 1.00 0.00 H new ATOM 872 N ALA A 60 77.238 -5.981 -3.426 1.00 0.00 N ATOM 873 CA ALA A 60 76.440 -6.620 -4.511 1.00 0.00 C ATOM 874 C ALA A 60 75.205 -5.772 -4.825 1.00 0.00 C ATOM 875 O ALA A 60 74.850 -5.576 -5.971 1.00 0.00 O ATOM 876 CB ALA A 60 76.026 -7.981 -3.952 1.00 0.00 C ATOM 0 H ALA A 60 77.353 -6.543 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 60 77.006 -6.716 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.433 -8.514 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.917 -8.562 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.433 -7.838 -3.049 1.00 0.00 H new ATOM 882 N ILE A 61 74.548 -5.267 -3.818 1.00 0.00 N ATOM 883 CA ILE A 61 73.338 -4.431 -4.066 1.00 0.00 C ATOM 884 C ILE A 61 73.737 -3.132 -4.772 1.00 0.00 C ATOM 885 O ILE A 61 73.238 -2.815 -5.834 1.00 0.00 O ATOM 886 CB ILE A 61 72.764 -4.132 -2.681 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.213 -5.423 -2.068 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.634 -3.111 -2.812 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.859 -5.656 -0.699 1.00 0.00 C ATOM 0 H ILE A 61 74.795 -5.396 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 61 72.612 -4.935 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 61 73.549 -3.730 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.130 -5.355 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.418 -6.267 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.222 -2.895 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.023 -2.192 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.850 -3.516 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.467 -6.575 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.939 -5.743 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.632 -4.817 -0.042 1.00 0.00 H new ATOM 901 N ILE A 62 74.635 -2.382 -4.194 1.00 0.00 N ATOM 902 CA ILE A 62 75.065 -1.110 -4.839 1.00 0.00 C ATOM 903 C ILE A 62 75.386 -1.360 -6.315 1.00 0.00 C ATOM 904 O ILE A 62 74.676 -0.923 -7.197 1.00 0.00 O ATOM 905 CB ILE A 62 76.323 -0.685 -4.082 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.932 -0.168 -2.695 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.035 0.424 -4.858 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.193 0.061 -1.861 1.00 0.00 C ATOM 0 H ILE A 62 75.088 -2.595 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 62 74.292 -0.342 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 62 76.991 -1.540 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.370 0.762 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.280 -0.886 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.932 0.727 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.313 0.056 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.368 1.280 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.914 0.429 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.737 -0.878 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.828 0.796 -2.356 1.00 0.00 H new ATOM 920 N GLU A 63 76.448 -2.068 -6.589 1.00 0.00 N ATOM 921 CA GLU A 63 76.806 -2.352 -8.007 1.00 0.00 C ATOM 922 C GLU A 63 75.556 -2.778 -8.781 1.00 0.00 C ATOM 923 O GLU A 63 75.406 -2.485 -9.951 1.00 0.00 O ATOM 924 CB GLU A 63 77.816 -3.497 -7.939 1.00 0.00 C ATOM 925 CG GLU A 63 78.075 -4.036 -9.347 1.00 0.00 C ATOM 926 CD GLU A 63 79.511 -4.558 -9.437 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.416 -3.795 -9.141 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.680 -5.710 -9.800 1.00 0.00 O ATOM 0 H GLU A 63 77.082 -2.461 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 63 77.218 -1.481 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.748 -3.147 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.437 -4.293 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.371 -4.836 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.916 -3.249 -10.084 1.00 0.00 H new ATOM 935 N GLU A 64 74.655 -3.464 -8.132 1.00 0.00 N ATOM 936 CA GLU A 64 73.409 -3.906 -8.823 1.00 0.00 C ATOM 937 C GLU A 64 72.484 -2.704 -9.039 1.00 0.00 C ATOM 938 O GLU A 64 71.999 -2.467 -10.128 1.00 0.00 O ATOM 939 CB GLU A 64 72.772 -4.927 -7.871 1.00 0.00 C ATOM 940 CG GLU A 64 71.260 -5.000 -8.110 1.00 0.00 C ATOM 941 CD GLU A 64 70.751 -6.396 -7.746 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.523 -7.161 -7.193 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.597 -6.676 -8.028 1.00 0.00 O ATOM 0 H GLU A 64 74.728 -3.738 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 64 73.600 -4.339 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.220 -5.909 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.971 -4.645 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.750 -4.247 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.035 -4.780 -9.154 1.00 0.00 H new ATOM 950 N VAL A 65 72.238 -1.944 -8.008 1.00 0.00 N ATOM 951 CA VAL A 65 71.347 -0.757 -8.150 1.00 0.00 C ATOM 952 C VAL A 65 72.149 0.446 -8.655 1.00 0.00 C ATOM 953 O VAL A 65 71.622 1.528 -8.822 1.00 0.00 O ATOM 954 CB VAL A 65 70.814 -0.497 -6.742 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.153 -1.767 -6.202 1.00 0.00 C ATOM 956 CG2 VAL A 65 71.972 -0.097 -5.824 1.00 0.00 C ATOM 0 H VAL A 65 72.616 -2.093 -7.072 1.00 0.00 H new ATOM 0 HA VAL A 65 70.542 -0.923 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 65 70.080 0.308 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.773 -1.581 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.328 -2.054 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.886 -2.573 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.592 0.089 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.706 -0.903 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.444 0.808 -6.207 1.00 0.00 H new ATOM 966 N ASP A 66 73.418 0.264 -8.899 1.00 0.00 N ATOM 967 CA ASP A 66 74.253 1.397 -9.392 1.00 0.00 C ATOM 968 C ASP A 66 74.389 1.329 -10.917 1.00 0.00 C ATOM 969 O ASP A 66 74.605 2.327 -11.575 1.00 0.00 O ATOM 970 CB ASP A 66 75.615 1.203 -8.725 1.00 0.00 C ATOM 971 CG ASP A 66 76.635 2.151 -9.358 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.214 3.122 -9.965 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.819 1.890 -9.226 1.00 0.00 O ATOM 0 H ASP A 66 73.913 -0.620 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 66 73.816 2.367 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.538 1.397 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.944 0.170 -8.839 1.00 0.00 H new ATOM 1030 N THR A 72 73.455 6.431 -7.847 1.00 0.00 N ATOM 1031 CA THR A 72 72.942 6.427 -6.447 1.00 0.00 C ATOM 1032 C THR A 72 71.778 5.441 -6.311 1.00 0.00 C ATOM 1033 O THR A 72 71.545 4.618 -7.175 1.00 0.00 O ATOM 1034 CB THR A 72 72.467 7.858 -6.193 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.392 8.160 -7.073 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.620 8.832 -6.439 1.00 0.00 C ATOM 0 HA THR A 72 73.703 6.118 -5.730 1.00 0.00 H new ATOM 0 HB THR A 72 72.130 7.952 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.501 7.658 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.280 9.852 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.444 8.599 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.959 8.741 -7.471 1.00 0.00 H new ATOM 1044 N ILE A 73 71.047 5.517 -5.234 1.00 0.00 N ATOM 1045 CA ILE A 73 69.900 4.584 -5.042 1.00 0.00 C ATOM 1046 C ILE A 73 68.596 5.372 -4.886 1.00 0.00 C ATOM 1047 O ILE A 73 68.571 6.441 -4.309 1.00 0.00 O ATOM 1048 CB ILE A 73 70.221 3.822 -3.758 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.116 2.798 -3.483 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.306 4.804 -2.589 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.347 1.555 -4.344 1.00 0.00 C ATOM 0 H ILE A 73 71.194 6.185 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 73 69.766 3.914 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 73 71.175 3.307 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.112 2.527 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.141 3.231 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.535 4.260 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.092 5.534 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.352 5.319 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.561 0.826 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.330 1.834 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.316 1.118 -4.100 1.00 0.00 H new ATOM 1063 N ASP A 74 67.513 4.853 -5.397 1.00 0.00 N ATOM 1064 CA ASP A 74 66.212 5.574 -5.277 1.00 0.00 C ATOM 1065 C ASP A 74 65.446 5.084 -4.045 1.00 0.00 C ATOM 1066 O ASP A 74 65.592 3.955 -3.619 1.00 0.00 O ATOM 1067 CB ASP A 74 65.450 5.228 -6.557 1.00 0.00 C ATOM 1068 CG ASP A 74 64.781 6.487 -7.110 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.466 7.264 -7.754 1.00 0.00 O ATOM 1070 OD2 ASP A 74 63.595 6.654 -6.879 1.00 0.00 O ATOM 0 H ASP A 74 67.472 3.962 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 74 66.344 6.649 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 74 66.133 4.811 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.699 4.465 -6.351 1.00 0.00 H new ATOM 1075 N PHE A 75 64.628 5.923 -3.470 1.00 0.00 N ATOM 1076 CA PHE A 75 63.854 5.506 -2.267 1.00 0.00 C ATOM 1077 C PHE A 75 63.085 4.215 -2.553 1.00 0.00 C ATOM 1078 O PHE A 75 63.344 3.183 -1.967 1.00 0.00 O ATOM 1079 CB PHE A 75 62.880 6.653 -2.002 1.00 0.00 C ATOM 1080 CG PHE A 75 62.205 6.443 -0.668 1.00 0.00 C ATOM 1081 CD1 PHE A 75 62.978 6.257 0.485 1.00 0.00 C ATOM 1082 CD2 PHE A 75 60.808 6.433 -0.582 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.352 6.059 1.722 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.183 6.235 0.655 1.00 0.00 C ATOM 1085 CZ PHE A 75 60.955 6.048 1.806 1.00 0.00 C ATOM 0 H PHE A 75 64.462 6.880 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 75 64.501 5.312 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.412 7.604 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.134 6.701 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.056 6.266 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.212 6.578 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 75 62.947 5.915 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.105 6.227 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.473 5.895 2.760 1.00 0.00 H new ATOM 1095 N GLU A 76 62.141 4.267 -3.452 1.00 0.00 N ATOM 1096 CA GLU A 76 61.351 3.046 -3.776 1.00 0.00 C ATOM 1097 C GLU A 76 62.288 1.886 -4.117 1.00 0.00 C ATOM 1098 O GLU A 76 62.160 0.798 -3.592 1.00 0.00 O ATOM 1099 CB GLU A 76 60.514 3.435 -4.992 1.00 0.00 C ATOM 1100 CG GLU A 76 59.509 4.517 -4.595 1.00 0.00 C ATOM 1101 CD GLU A 76 59.705 5.747 -5.483 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.754 6.363 -5.385 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.804 6.051 -6.247 1.00 0.00 O ATOM 0 H GLU A 76 61.883 5.103 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 76 60.732 2.717 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.161 3.800 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.990 2.562 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.492 4.139 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.644 4.787 -3.547 1.00 0.00 H new ATOM 1110 N GLU A 77 63.231 2.108 -4.990 1.00 0.00 N ATOM 1111 CA GLU A 77 64.176 1.015 -5.357 1.00 0.00 C ATOM 1112 C GLU A 77 65.023 0.624 -4.143 1.00 0.00 C ATOM 1113 O GLU A 77 65.468 -0.498 -4.022 1.00 0.00 O ATOM 1114 CB GLU A 77 65.054 1.605 -6.461 1.00 0.00 C ATOM 1115 CG GLU A 77 65.592 0.478 -7.345 1.00 0.00 C ATOM 1116 CD GLU A 77 66.357 1.077 -8.526 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.889 2.063 -9.072 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.399 0.540 -8.866 1.00 0.00 O ATOM 0 H GLU A 77 63.388 2.997 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 77 63.661 0.113 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.477 2.308 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.881 2.164 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.248 -0.172 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.770 -0.139 -7.706 1.00 0.00 H new ATOM 1125 N PHE A 78 65.249 1.544 -3.246 1.00 0.00 N ATOM 1126 CA PHE A 78 66.065 1.227 -2.038 1.00 0.00 C ATOM 1127 C PHE A 78 65.248 0.393 -1.044 1.00 0.00 C ATOM 1128 O PHE A 78 65.785 -0.412 -0.310 1.00 0.00 O ATOM 1129 CB PHE A 78 66.423 2.587 -1.435 1.00 0.00 C ATOM 1130 CG PHE A 78 66.888 2.407 -0.009 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.157 1.879 0.253 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.048 2.769 1.051 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.587 1.713 1.575 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.477 2.602 2.373 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.746 2.074 2.635 1.00 0.00 C ATOM 0 H PHE A 78 64.904 2.503 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 78 66.952 0.642 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.206 3.062 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.557 3.248 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.805 1.599 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.069 3.177 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.567 1.307 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.829 2.881 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.077 1.945 3.655 1.00 0.00 H new ATOM 1145 N LEU A 79 63.956 0.584 -1.009 1.00 0.00 N ATOM 1146 CA LEU A 79 63.113 -0.194 -0.054 1.00 0.00 C ATOM 1147 C LEU A 79 63.557 -1.659 -0.028 1.00 0.00 C ATOM 1148 O LEU A 79 63.797 -2.225 1.021 1.00 0.00 O ATOM 1149 CB LEU A 79 61.684 -0.078 -0.588 1.00 0.00 C ATOM 1150 CG LEU A 79 60.953 1.061 0.127 1.00 0.00 C ATOM 1151 CD1 LEU A 79 61.050 0.867 1.643 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.595 2.395 -0.256 1.00 0.00 C ATOM 0 H LEU A 79 63.449 1.244 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 79 63.196 0.183 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.701 0.107 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 79 61.152 -1.017 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 79 59.904 1.059 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.528 1.680 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.593 -0.084 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 79 62.098 0.866 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 79 61.076 3.208 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.644 2.393 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.523 2.537 -1.334 1.00 0.00 H new ATOM 1164 N VAL A 80 63.669 -2.279 -1.170 1.00 0.00 N ATOM 1165 CA VAL A 80 64.098 -3.705 -1.200 1.00 0.00 C ATOM 1166 C VAL A 80 65.304 -3.904 -0.278 1.00 0.00 C ATOM 1167 O VAL A 80 65.360 -4.842 0.493 1.00 0.00 O ATOM 1168 CB VAL A 80 64.477 -3.975 -2.655 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.523 -2.956 -3.107 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.054 -5.387 -2.780 1.00 0.00 C ATOM 0 H VAL A 80 63.482 -1.861 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 80 63.318 -4.384 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 80 63.590 -3.889 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.794 -3.148 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.113 -1.950 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.410 -3.042 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.324 -5.579 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.941 -5.475 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 80 64.309 -6.114 -2.459 1.00 0.00 H new ATOM 1180 N MET A 81 66.268 -3.027 -0.345 1.00 0.00 N ATOM 1181 CA MET A 81 67.463 -3.165 0.533 1.00 0.00 C ATOM 1182 C MET A 81 67.044 -3.071 2.001 1.00 0.00 C ATOM 1183 O MET A 81 67.772 -3.460 2.893 1.00 0.00 O ATOM 1184 CB MET A 81 68.370 -1.992 0.159 1.00 0.00 C ATOM 1185 CG MET A 81 69.551 -2.502 -0.668 1.00 0.00 C ATOM 1186 SD MET A 81 70.988 -2.731 0.408 1.00 0.00 S ATOM 1187 CE MET A 81 70.467 -4.297 1.149 1.00 0.00 C ATOM 0 H MET A 81 66.279 -2.221 -0.970 1.00 0.00 H new ATOM 0 HA MET A 81 67.966 -4.123 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.808 -1.251 -0.409 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.731 -1.496 1.060 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.291 -3.444 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.787 -1.792 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.316 -4.764 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.677 -4.110 1.876 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.094 -4.962 0.370 1.00 0.00 H new ATOM 1197 N MET A 82 65.872 -2.556 2.258 1.00 0.00 N ATOM 1198 CA MET A 82 65.402 -2.433 3.668 1.00 0.00 C ATOM 1199 C MET A 82 64.758 -3.744 4.128 1.00 0.00 C ATOM 1200 O MET A 82 65.263 -4.420 5.001 1.00 0.00 O ATOM 1201 CB MET A 82 64.368 -1.307 3.646 1.00 0.00 C ATOM 1202 CG MET A 82 64.912 -0.130 2.832 1.00 0.00 C ATOM 1203 SD MET A 82 63.860 1.319 3.091 1.00 0.00 S ATOM 1204 CE MET A 82 64.336 1.644 4.806 1.00 0.00 C ATOM 0 H MET A 82 65.219 -2.215 1.552 1.00 0.00 H new ATOM 0 HA MET A 82 66.219 -2.222 4.358 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.435 -1.664 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.142 -0.986 4.663 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.936 0.092 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.940 -0.388 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.346 2.719 4.983 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.619 1.172 5.478 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.330 1.237 4.991 1.00 0.00 H new ATOM 1214 N VAL A 83 63.644 -4.106 3.550 1.00 0.00 N ATOM 1215 CA VAL A 83 62.970 -5.370 3.964 1.00 0.00 C ATOM 1216 C VAL A 83 63.888 -6.569 3.713 1.00 0.00 C ATOM 1217 O VAL A 83 64.061 -7.415 4.568 1.00 0.00 O ATOM 1218 CB VAL A 83 61.712 -5.463 3.100 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.094 -5.428 1.619 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.987 -6.776 3.404 1.00 0.00 C ATOM 0 H VAL A 83 63.173 -3.583 2.812 1.00 0.00 H new ATOM 0 HA VAL A 83 62.728 -5.374 5.027 1.00 0.00 H new ATOM 0 HB VAL A 83 61.059 -4.619 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.193 -5.495 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.613 -4.495 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.749 -6.269 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.089 -6.846 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.646 -7.615 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.709 -6.803 4.458 1.00 0.00 H new ATOM 1230 N ARG A 84 64.480 -6.651 2.554 1.00 0.00 N ATOM 1231 CA ARG A 84 65.386 -7.797 2.266 1.00 0.00 C ATOM 1232 C ARG A 84 66.345 -8.004 3.438 1.00 0.00 C ATOM 1233 O ARG A 84 66.614 -9.117 3.846 1.00 0.00 O ATOM 1234 CB ARG A 84 66.145 -7.394 1.002 1.00 0.00 C ATOM 1235 CG ARG A 84 65.167 -7.315 -0.171 1.00 0.00 C ATOM 1236 CD ARG A 84 64.805 -8.730 -0.629 1.00 0.00 C ATOM 1237 NE ARG A 84 65.245 -8.798 -2.050 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.316 -9.470 -2.369 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.230 -10.740 -2.655 1.00 0.00 N ATOM 1240 NH2 ARG A 84 67.475 -8.871 -2.402 1.00 0.00 N ATOM 0 H ARG A 84 64.376 -5.976 1.796 1.00 0.00 H new ATOM 0 HA ARG A 84 64.848 -8.735 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.633 -6.431 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.930 -8.120 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.268 -6.776 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.614 -6.758 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.310 -9.482 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.734 -8.913 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 84 64.709 -8.319 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.324 -11.208 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.068 -11.265 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.542 -7.878 -2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 84 68.313 -9.396 -2.651 1.00 0.00 H new ATOM 1254 N GLN A 85 66.853 -6.937 3.991 1.00 0.00 N ATOM 1255 CA GLN A 85 67.782 -7.069 5.148 1.00 0.00 C ATOM 1256 C GLN A 85 66.977 -7.183 6.442 1.00 0.00 C ATOM 1257 O GLN A 85 67.304 -7.954 7.323 1.00 0.00 O ATOM 1258 CB GLN A 85 68.615 -5.788 5.137 1.00 0.00 C ATOM 1259 CG GLN A 85 69.606 -5.813 6.304 1.00 0.00 C ATOM 1260 CD GLN A 85 70.804 -6.691 5.939 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.694 -6.243 5.097 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.932 -7.796 6.427 1.00 0.00 N flip ATOM 0 H GLN A 85 66.665 -5.980 3.692 1.00 0.00 H new ATOM 0 HA GLN A 85 68.412 -7.956 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.151 -5.699 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.964 -4.918 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.940 -4.801 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.119 -6.198 7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.236 -8.146 7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.735 -8.373 6.178 1.00 0.00 H new ATOM 1271 N MET A 86 65.917 -6.430 6.561 1.00 0.00 N ATOM 1272 CA MET A 86 65.087 -6.509 7.793 1.00 0.00 C ATOM 1273 C MET A 86 64.368 -7.857 7.841 1.00 0.00 C ATOM 1274 O MET A 86 63.892 -8.283 8.873 1.00 0.00 O ATOM 1275 CB MET A 86 64.080 -5.365 7.678 1.00 0.00 C ATOM 1276 CG MET A 86 64.412 -4.286 8.710 1.00 0.00 C ATOM 1277 SD MET A 86 62.882 -3.666 9.452 1.00 0.00 S ATOM 1278 CE MET A 86 63.607 -3.053 10.992 1.00 0.00 C ATOM 0 H MET A 86 65.592 -5.765 5.859 1.00 0.00 H new ATOM 0 HA MET A 86 65.683 -6.425 8.702 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.107 -4.943 6.673 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.069 -5.739 7.840 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.063 -4.695 9.482 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.955 -3.469 8.235 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.825 -2.619 11.615 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.080 -3.878 11.525 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.354 -2.292 10.765 1.00 0.00 H new ATOM 1288 N LYS A 87 64.292 -8.537 6.728 1.00 0.00 N ATOM 1289 CA LYS A 87 63.611 -9.862 6.713 1.00 0.00 C ATOM 1290 C LYS A 87 64.145 -10.721 7.859 1.00 0.00 C ATOM 1291 O LYS A 87 63.473 -11.602 8.357 1.00 0.00 O ATOM 1292 CB LYS A 87 63.966 -10.480 5.360 1.00 0.00 C ATOM 1293 CG LYS A 87 63.155 -9.796 4.256 1.00 0.00 C ATOM 1294 CD LYS A 87 62.171 -10.798 3.648 1.00 0.00 C ATOM 1295 CE LYS A 87 60.891 -10.831 4.485 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.786 -10.623 3.509 1.00 0.00 N ATOM 0 H LYS A 87 64.671 -8.232 5.831 1.00 0.00 H new ATOM 0 HA LYS A 87 62.532 -9.782 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 87 65.032 -10.367 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.756 -11.549 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.615 -8.942 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.823 -9.412 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.939 -10.518 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.621 -11.790 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.784 -11.783 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.897 -10.051 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.874 -10.633 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.910 -9.706 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.801 -11.384 2.801 1.00 0.00 H new ATOM 1310 N GLU A 88 65.351 -10.461 8.287 1.00 0.00 N ATOM 1311 CA GLU A 88 65.932 -11.253 9.408 1.00 0.00 C ATOM 1312 C GLU A 88 65.719 -10.513 10.731 1.00 0.00 C ATOM 1313 O GLU A 88 65.398 -11.107 11.742 1.00 0.00 O ATOM 1314 CB GLU A 88 67.423 -11.361 9.088 1.00 0.00 C ATOM 1315 CG GLU A 88 67.884 -12.807 9.282 1.00 0.00 C ATOM 1316 CD GLU A 88 68.433 -13.351 7.962 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.635 -13.636 7.084 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.642 -13.471 7.852 1.00 0.00 O ATOM 0 H GLU A 88 65.959 -9.734 7.909 1.00 0.00 H new ATOM 0 HA GLU A 88 65.468 -12.234 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.609 -11.043 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.994 -10.696 9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.652 -12.854 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.051 -13.422 9.623 1.00 0.00 H new ATOM 1325 N ASP A 89 65.893 -9.218 10.733 1.00 0.00 N ATOM 1326 CA ASP A 89 65.696 -8.442 11.992 1.00 0.00 C ATOM 1327 C ASP A 89 64.201 -8.242 12.256 1.00 0.00 C ATOM 1328 O ASP A 89 63.787 -7.975 13.366 1.00 0.00 O ATOM 1329 CB ASP A 89 66.381 -7.098 11.739 1.00 0.00 C ATOM 1330 CG ASP A 89 67.898 -7.277 11.809 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.385 -8.254 11.263 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.548 -6.434 12.404 1.00 0.00 O ATOM 0 H ASP A 89 66.162 -8.665 9.919 1.00 0.00 H new ATOM 0 HA ASP A 89 66.109 -8.951 12.863 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.095 -6.710 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.056 -6.367 12.479 1.00 0.00 H new ATOM 1337 N ALA A 90 63.391 -8.371 11.242 1.00 0.00 N ATOM 1338 CA ALA A 90 61.922 -8.190 11.429 1.00 0.00 C ATOM 1339 C ALA A 90 61.289 -9.492 11.929 1.00 0.00 C ATOM 1340 O ALA A 90 60.280 -9.413 12.609 1.00 0.00 O ATOM 1341 CB ALA A 90 61.389 -7.831 10.041 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.824 -10.543 11.620 1.00 0.00 O ATOM 0 H ALA A 90 63.682 -8.594 10.290 1.00 0.00 H new ATOM 0 HA ALA A 90 61.689 -7.421 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.311 -7.681 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.867 -6.915 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.610 -8.641 9.346 1.00 0.00 H new