USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 909 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 101 THR OG1 : rot -109:sc= 1.37 USER MOD Set 1.2: A 103 THR OG1 : rot 42:sc= -0.427 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 THR OG1 : rot -150:sc= -3.26 USER MOD Set 2.3: A 35 LYS NZ :NH3+ -163:sc= -0.528 (180deg=-0.98) USER MOD Single : A 1 ALA N :NH3+ -177:sc= 0.308 (180deg=0.296) USER MOD Single : A 5 THR OG1 : rot 105:sc= 0.301 USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 2.21 (180deg=1.13) USER MOD Single : A 11 ASN : amide:sc= -0.888 K(o=-0.89,f=-3.5!) USER MOD Single : A 13 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.044) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 76:sc= 0.767 USER MOD Single : A 18 HIS : no HD1:sc= -0.555 K(o=-0.55,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.55) USER MOD Single : A 26 THR OG1 : rot -27:sc= 0.896 USER MOD Single : A 27 GLN :FLIP amide:sc= -4.07! C(o=-7.6!,f=-4.1!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0268 F(o=-1.4,f=-0.027) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.691 K(o=-0.69,f=-3.1!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 61 THR OG1 : rot -29:sc= -2.14 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 68 THR OG1 : rot -47:sc= 0.64 USER MOD Single : A 69 MET CE :methyl 174:sc= -1.43 (180deg=-1.6) USER MOD Single : A 72 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.0082) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 0.144 (180deg=0.0799) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= -1.15! (180deg=-1.91!) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.773 F(o=-1.9,f=-0.77) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0067) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 96 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.2!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc=-3.43e-05 (180deg=-0.121) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.561 -13.330 4.591 1.00 0.00 N ATOM 2 CA ALA A 1 14.434 -12.188 4.510 1.00 0.00 C ATOM 3 C ALA A 1 13.677 -10.837 4.645 1.00 0.00 C ATOM 4 O ALA A 1 14.354 -9.839 4.797 1.00 0.00 O ATOM 5 CB ALA A 1 15.320 -12.205 3.265 1.00 0.00 C ATOM 0 H1 ALA A 1 14.125 -14.202 4.546 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.036 -13.303 5.489 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.890 -13.311 3.797 1.00 0.00 H new ATOM 0 HA ALA A 1 15.094 -12.271 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.956 -11.320 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.943 -13.099 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.694 -12.208 2.373 1.00 0.00 H new ATOM 13 N PHE A 2 12.335 -10.996 4.561 1.00 0.00 N ATOM 14 CA PHE A 2 11.477 -9.819 4.670 1.00 0.00 C ATOM 15 C PHE A 2 11.432 -9.461 6.188 1.00 0.00 C ATOM 16 O PHE A 2 11.337 -8.265 6.474 1.00 0.00 O ATOM 17 CB PHE A 2 10.069 -10.132 4.231 1.00 0.00 C ATOM 18 CG PHE A 2 9.865 -9.819 2.762 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.760 -10.149 1.793 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.729 -9.167 2.336 1.00 0.00 C ATOM 21 CE1 PHE A 2 10.483 -9.819 0.487 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.554 -8.892 1.005 1.00 0.00 C ATOM 23 CZ PHE A 2 9.326 -9.166 0.111 1.00 0.00 C ATOM 0 H PHE A 2 11.853 -11.885 4.425 1.00 0.00 H new ATOM 0 HA PHE A 2 11.863 -9.013 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.855 -11.185 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.363 -9.555 4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.676 -10.663 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.976 -8.872 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 2 11.200 -10.082 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.643 -8.383 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 2 9.121 -8.914 -0.919 1.00 0.00 H new ATOM 33 N ASP A 3 11.507 -10.535 6.998 1.00 0.00 N ATOM 34 CA ASP A 3 11.472 -10.317 8.399 1.00 0.00 C ATOM 35 C ASP A 3 12.270 -9.123 8.923 1.00 0.00 C ATOM 36 O ASP A 3 13.439 -9.320 9.258 1.00 0.00 O ATOM 37 CB ASP A 3 12.014 -11.591 9.120 1.00 0.00 C ATOM 38 CG ASP A 3 13.083 -12.233 8.277 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.233 -11.823 8.436 1.00 0.00 O ATOM 40 OD2 ASP A 3 12.754 -13.127 7.483 1.00 0.00 O ATOM 0 H ASP A 3 11.588 -11.506 6.696 1.00 0.00 H new ATOM 0 HA ASP A 3 10.426 -10.096 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.418 -11.324 10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.201 -12.296 9.294 1.00 0.00 H new ATOM 45 N GLY A 4 11.648 -7.939 8.979 1.00 0.00 N ATOM 46 CA GLY A 4 12.516 -6.882 9.499 1.00 0.00 C ATOM 47 C GLY A 4 11.854 -5.571 9.153 1.00 0.00 C ATOM 48 O GLY A 4 11.219 -5.563 8.102 1.00 0.00 O ATOM 0 H GLY A 4 10.691 -7.706 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.642 -6.980 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.510 -6.943 9.055 1.00 0.00 H new ATOM 52 N THR A 5 11.973 -4.506 9.960 1.00 0.00 N ATOM 53 CA THR A 5 11.297 -3.300 9.516 1.00 0.00 C ATOM 54 C THR A 5 11.898 -2.870 8.172 1.00 0.00 C ATOM 55 O THR A 5 12.956 -3.386 7.825 1.00 0.00 O ATOM 56 CB THR A 5 11.655 -2.121 10.462 1.00 0.00 C ATOM 57 OG1 THR A 5 12.995 -2.042 10.779 1.00 0.00 O ATOM 58 CG2 THR A 5 10.754 -2.104 11.705 1.00 0.00 C ATOM 0 H THR A 5 12.483 -4.458 10.842 1.00 0.00 H new ATOM 0 HA THR A 5 10.227 -3.505 9.478 1.00 0.00 H new ATOM 0 HB THR A 5 11.452 -1.212 9.896 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.406 -1.305 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.032 -1.266 12.345 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.713 -1.997 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.876 -3.037 12.255 1.00 0.00 H new ATOM 66 N TRP A 6 11.189 -1.957 7.514 1.00 0.00 N ATOM 67 CA TRP A 6 11.525 -1.385 6.232 1.00 0.00 C ATOM 68 C TRP A 6 11.222 0.125 6.221 1.00 0.00 C ATOM 69 O TRP A 6 10.404 0.429 7.076 1.00 0.00 O ATOM 70 CB TRP A 6 10.596 -1.901 5.127 1.00 0.00 C ATOM 71 CG TRP A 6 10.849 -3.282 4.633 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.290 -4.405 5.251 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.609 -3.876 3.552 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.661 -5.487 4.640 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.493 -5.279 3.557 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.389 -3.357 2.564 1.00 0.00 C ATOM 77 CZ2 TRP A 6 12.102 -6.071 2.662 1.00 0.00 C ATOM 78 CZ3 TRP A 6 13.025 -4.175 1.636 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.904 -5.555 1.652 1.00 0.00 C ATOM 0 H TRP A 6 10.318 -1.582 7.890 1.00 0.00 H new ATOM 0 HA TRP A 6 12.573 -1.636 6.070 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.571 -1.853 5.494 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.663 -1.219 4.280 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.642 -4.375 6.114 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.363 -6.417 4.935 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.517 -2.287 2.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.965 -7.140 2.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.637 -3.716 0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.399 -6.186 0.929 1.00 0.00 H new ATOM 90 N LYS A 7 11.826 0.910 5.337 1.00 0.00 N ATOM 91 CA LYS A 7 11.535 2.312 5.318 1.00 0.00 C ATOM 92 C LYS A 7 11.631 3.069 6.659 1.00 0.00 C ATOM 93 O LYS A 7 11.941 2.493 7.658 1.00 0.00 O ATOM 94 CB LYS A 7 10.025 2.471 4.914 1.00 0.00 C ATOM 95 CG LYS A 7 10.020 1.722 3.601 1.00 0.00 C ATOM 96 CD LYS A 7 8.721 1.885 2.815 1.00 0.00 C ATOM 97 CE LYS A 7 7.516 2.220 3.642 1.00 0.00 C ATOM 98 NZ LYS A 7 6.198 2.274 2.980 1.00 0.00 N ATOM 0 H LYS A 7 12.504 0.595 4.643 1.00 0.00 H new ATOM 0 HA LYS A 7 12.284 2.729 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.350 2.030 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.733 3.515 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.852 2.070 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.188 0.663 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.861 2.669 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.524 0.961 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.453 1.487 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.693 3.190 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.627 3.033 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.327 2.464 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.710 1.364 3.103 1.00 0.00 H new ATOM 112 N VAL A 8 11.282 4.318 6.380 1.00 0.00 N ATOM 113 CA VAL A 8 11.120 5.385 7.344 1.00 0.00 C ATOM 114 C VAL A 8 11.837 5.178 8.628 1.00 0.00 C ATOM 115 O VAL A 8 11.669 4.373 9.537 1.00 0.00 O ATOM 116 CB VAL A 8 9.566 5.332 7.536 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.077 5.202 8.959 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.910 6.586 6.973 1.00 0.00 C ATOM 0 H VAL A 8 11.096 4.624 5.425 1.00 0.00 H new ATOM 0 HA VAL A 8 11.535 6.336 7.009 1.00 0.00 H new ATOM 0 HB VAL A 8 9.286 4.422 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.987 5.175 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.466 4.282 9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.424 6.055 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.831 6.528 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.299 7.463 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.130 6.665 5.908 1.00 0.00 H new ATOM 128 N ASP A 9 12.858 6.073 8.799 1.00 0.00 N ATOM 129 CA ASP A 9 13.675 6.049 9.979 1.00 0.00 C ATOM 130 C ASP A 9 13.168 7.084 10.990 1.00 0.00 C ATOM 131 O ASP A 9 13.728 8.162 11.197 1.00 0.00 O ATOM 132 CB ASP A 9 15.117 6.349 9.598 1.00 0.00 C ATOM 133 CG ASP A 9 15.442 5.527 8.331 1.00 0.00 C ATOM 134 OD1 ASP A 9 15.125 4.352 8.347 1.00 0.00 O ATOM 135 OD2 ASP A 9 15.999 6.078 7.389 1.00 0.00 O ATOM 0 H ASP A 9 13.105 6.797 8.125 1.00 0.00 H new ATOM 0 HA ASP A 9 13.622 5.062 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.250 7.414 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.792 6.083 10.411 1.00 0.00 H new ATOM 140 N ARG A 10 12.049 6.742 11.662 1.00 0.00 N ATOM 141 CA ARG A 10 11.447 7.611 12.650 1.00 0.00 C ATOM 142 C ARG A 10 10.359 6.886 13.450 1.00 0.00 C ATOM 143 O ARG A 10 9.170 7.070 13.209 1.00 0.00 O ATOM 144 CB ARG A 10 10.790 8.862 12.053 1.00 0.00 C ATOM 145 CG ARG A 10 10.373 9.879 13.138 1.00 0.00 C ATOM 146 CD ARG A 10 9.757 11.155 12.580 1.00 0.00 C ATOM 147 NE ARG A 10 10.224 12.232 13.453 1.00 0.00 N ATOM 148 CZ ARG A 10 11.264 13.024 13.123 1.00 0.00 C ATOM 149 NH1 ARG A 10 11.948 12.895 11.996 1.00 0.00 N ATOM 150 NH2 ARG A 10 11.610 13.982 13.986 1.00 0.00 N ATOM 0 H ARG A 10 11.554 5.861 11.525 1.00 0.00 H new ATOM 0 HA ARG A 10 12.281 7.909 13.285 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.483 9.338 11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.913 8.569 11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.658 9.406 13.811 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.248 10.139 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.069 11.323 11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.669 11.096 12.578 1.00 0.00 H new ATOM 0 HE ARG A 10 9.747 12.389 14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.696 12.168 11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.727 13.523 11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.093 14.094 14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.391 14.602 13.773 1.00 0.00 H new ATOM 164 N ASN A 11 10.805 6.053 14.413 1.00 0.00 N ATOM 165 CA ASN A 11 9.886 5.308 15.243 1.00 0.00 C ATOM 166 C ASN A 11 10.044 5.604 16.750 1.00 0.00 C ATOM 167 O ASN A 11 9.094 5.299 17.457 1.00 0.00 O ATOM 168 CB ASN A 11 10.026 3.809 15.028 1.00 0.00 C ATOM 169 CG ASN A 11 11.123 3.206 15.937 1.00 0.00 C ATOM 170 OD1 ASN A 11 12.136 3.824 16.202 1.00 0.00 O ATOM 171 ND2 ASN A 11 10.756 1.982 16.329 1.00 0.00 N ATOM 0 H ASN A 11 11.791 5.892 14.620 1.00 0.00 H new ATOM 0 HA ASN A 11 8.895 5.640 14.932 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.073 3.320 15.233 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.268 3.611 13.984 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.367 1.437 16.937 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.865 1.593 16.020 1.00 0.00 H new ATOM 178 N GLU A 12 11.201 6.164 17.127 1.00 0.00 N ATOM 179 CA GLU A 12 11.531 6.520 18.491 1.00 0.00 C ATOM 180 C GLU A 12 10.974 5.508 19.507 1.00 0.00 C ATOM 181 O GLU A 12 9.974 5.877 20.150 1.00 0.00 O ATOM 182 CB GLU A 12 10.997 7.929 18.761 1.00 0.00 C ATOM 183 CG GLU A 12 9.861 8.301 17.816 1.00 0.00 C ATOM 184 CD GLU A 12 9.228 9.629 18.330 1.00 0.00 C ATOM 185 OE1 GLU A 12 9.925 10.444 18.946 1.00 0.00 O ATOM 186 OE2 GLU A 12 8.027 9.742 18.059 1.00 0.00 O ATOM 0 H GLU A 12 11.946 6.383 16.465 1.00 0.00 H new ATOM 0 HA GLU A 12 12.614 6.501 18.612 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.647 7.992 19.791 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.807 8.650 18.655 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.235 8.425 16.800 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.114 7.508 17.787 1.00 0.00 H new ATOM 193 N ASN A 13 11.630 4.334 19.590 1.00 0.00 N ATOM 194 CA ASN A 13 11.239 3.273 20.503 1.00 0.00 C ATOM 195 C ASN A 13 9.717 3.043 20.366 1.00 0.00 C ATOM 196 O ASN A 13 9.067 3.430 19.399 1.00 0.00 O ATOM 197 CB ASN A 13 11.612 3.622 21.939 1.00 0.00 C ATOM 198 CG ASN A 13 12.871 4.473 22.020 1.00 0.00 C ATOM 199 OD1 ASN A 13 12.869 5.446 22.764 1.00 0.00 O ATOM 200 ND2 ASN A 13 13.906 4.090 21.259 1.00 0.00 N ATOM 0 H ASN A 13 12.445 4.107 19.020 1.00 0.00 H new ATOM 0 HA ASN A 13 11.772 2.357 20.248 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.785 4.156 22.407 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.760 2.703 22.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.775 4.624 21.274 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.825 3.265 20.665 1.00 0.00 H new ATOM 207 N TYR A 14 9.204 2.383 21.412 1.00 0.00 N ATOM 208 CA TYR A 14 7.771 2.068 21.465 1.00 0.00 C ATOM 209 C TYR A 14 7.011 3.236 22.078 1.00 0.00 C ATOM 210 O TYR A 14 6.761 3.253 23.288 1.00 0.00 O ATOM 211 CB TYR A 14 7.565 0.857 22.371 1.00 0.00 C ATOM 212 CG TYR A 14 7.556 -0.452 21.636 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.923 -0.616 20.390 1.00 0.00 C ATOM 214 CD2 TYR A 14 8.143 -1.615 22.079 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.930 -1.841 19.727 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.106 -2.815 21.363 1.00 0.00 C ATOM 217 CZ TYR A 14 7.556 -2.937 20.286 1.00 0.00 C ATOM 218 OH TYR A 14 7.571 -4.146 19.658 1.00 0.00 O ATOM 0 H TYR A 14 9.745 2.063 22.215 1.00 0.00 H new ATOM 0 HA TYR A 14 7.411 1.870 20.455 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.356 0.837 23.121 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.622 0.970 22.905 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.421 0.226 19.938 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.658 -1.600 23.028 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.442 -1.934 18.768 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.592 -3.680 21.790 1.00 0.00 H new ATOM 0 HH TYR A 14 8.061 -4.794 20.207 1.00 0.00 H new ATOM 228 N SER A 15 6.654 4.209 21.193 1.00 0.00 N ATOM 229 CA SER A 15 5.925 5.329 21.757 1.00 0.00 C ATOM 230 C SER A 15 5.136 6.038 20.664 1.00 0.00 C ATOM 231 O SER A 15 4.816 7.204 20.825 1.00 0.00 O ATOM 232 CB SER A 15 6.957 6.258 22.421 1.00 0.00 C ATOM 233 OG SER A 15 8.248 5.873 22.018 1.00 0.00 O ATOM 0 H SER A 15 6.844 4.230 20.191 1.00 0.00 H new ATOM 0 HA SER A 15 5.201 5.001 22.503 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.768 7.294 22.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.870 6.203 23.506 1.00 0.00 H new ATOM 0 HG SER A 15 8.410 6.180 21.101 1.00 0.00 H new ATOM 239 N GLY A 16 4.842 5.330 19.577 1.00 0.00 N ATOM 240 CA GLY A 16 4.084 5.953 18.493 1.00 0.00 C ATOM 241 C GLY A 16 2.761 5.196 18.282 1.00 0.00 C ATOM 242 O GLY A 16 2.725 3.987 18.456 1.00 0.00 O ATOM 0 H GLY A 16 5.106 4.357 19.423 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.882 6.997 18.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.670 5.943 17.574 1.00 0.00 H new ATOM 246 N ALA A 17 1.724 5.972 17.903 1.00 0.00 N ATOM 247 CA ALA A 17 0.414 5.360 17.675 1.00 0.00 C ATOM 248 C ALA A 17 -0.014 5.634 16.247 1.00 0.00 C ATOM 249 O ALA A 17 -0.526 4.683 15.630 1.00 0.00 O ATOM 250 CB ALA A 17 -0.496 6.031 18.707 1.00 0.00 C ATOM 0 H ALA A 17 1.769 6.980 17.755 1.00 0.00 H new ATOM 0 HA ALA A 17 0.395 4.276 17.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.507 5.634 18.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.119 5.830 19.710 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.511 7.107 18.534 1.00 0.00 H new ATOM 256 N HIS A 18 0.179 6.874 15.733 1.00 0.00 N ATOM 257 CA HIS A 18 -0.218 7.193 14.367 1.00 0.00 C ATOM 258 C HIS A 18 0.896 6.884 13.370 1.00 0.00 C ATOM 259 O HIS A 18 0.725 5.982 12.552 1.00 0.00 O ATOM 260 CB HIS A 18 -0.630 8.649 14.199 1.00 0.00 C ATOM 261 CG HIS A 18 -1.816 8.807 13.289 1.00 0.00 C ATOM 262 ND1 HIS A 18 -2.827 9.647 13.557 1.00 0.00 N ATOM 263 CD2 HIS A 18 -2.048 8.132 12.083 1.00 0.00 C ATOM 264 CE1 HIS A 18 -3.748 9.580 12.573 1.00 0.00 C ATOM 265 NE2 HIS A 18 -3.218 8.558 11.593 1.00 0.00 N ATOM 0 H HIS A 18 0.601 7.648 16.246 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.082 6.561 14.162 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.866 9.072 15.175 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.210 9.218 13.799 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.398 7.398 11.630 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.669 10.139 12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.665 8.253 10.728 1.00 0.00 H new ATOM 274 N ASP A 19 1.972 7.676 13.513 1.00 0.00 N ATOM 275 CA ASP A 19 3.103 7.468 12.603 1.00 0.00 C ATOM 276 C ASP A 19 2.688 7.752 11.158 1.00 0.00 C ATOM 277 O ASP A 19 1.541 8.099 10.925 1.00 0.00 O ATOM 278 CB ASP A 19 3.650 6.064 12.847 1.00 0.00 C ATOM 279 CG ASP A 19 4.480 6.138 14.155 1.00 0.00 C ATOM 280 OD1 ASP A 19 5.404 6.938 14.188 1.00 0.00 O ATOM 281 OD2 ASP A 19 4.191 5.401 15.103 1.00 0.00 O ATOM 0 H ASP A 19 2.080 8.419 14.203 1.00 0.00 H new ATOM 0 HA ASP A 19 3.914 8.170 12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.839 5.342 12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.270 5.738 12.012 1.00 0.00 H new ATOM 286 N ASN A 20 3.678 7.573 10.232 1.00 0.00 N ATOM 287 CA ASN A 20 3.379 7.816 8.828 1.00 0.00 C ATOM 288 C ASN A 20 3.071 6.514 8.068 1.00 0.00 C ATOM 289 O ASN A 20 1.928 6.196 7.739 1.00 0.00 O ATOM 290 CB ASN A 20 4.520 8.621 8.235 1.00 0.00 C ATOM 291 CG ASN A 20 3.997 9.679 7.243 1.00 0.00 C ATOM 292 OD1 ASN A 20 3.304 9.337 6.323 1.00 0.00 O ATOM 293 ND2 ASN A 20 4.431 10.882 7.614 1.00 0.00 N ATOM 0 H ASN A 20 4.632 7.277 10.437 1.00 0.00 H new ATOM 0 HA ASN A 20 2.463 8.399 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.077 9.111 9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.214 7.953 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.172 11.707 7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.022 10.979 8.439 1.00 0.00 H new ATOM 300 N LEU A 21 4.166 5.794 7.825 1.00 0.00 N ATOM 301 CA LEU A 21 4.144 4.520 7.119 1.00 0.00 C ATOM 302 C LEU A 21 5.553 3.950 7.372 1.00 0.00 C ATOM 303 O LEU A 21 6.336 4.728 7.897 1.00 0.00 O ATOM 304 CB LEU A 21 3.823 4.647 5.634 1.00 0.00 C ATOM 305 CG LEU A 21 3.600 6.026 5.035 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.934 6.791 4.966 1.00 0.00 C ATOM 307 CD2 LEU A 21 3.054 5.971 3.580 1.00 0.00 C ATOM 0 H LEU A 21 5.099 6.084 8.116 1.00 0.00 H new ATOM 0 HA LEU A 21 3.348 3.869 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.638 4.178 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.927 4.058 5.441 1.00 0.00 H new ATOM 0 HG LEU A 21 2.871 6.516 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.765 7.778 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.344 6.898 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.638 6.239 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.915 6.985 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.765 5.444 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.099 5.446 3.569 1.00 0.00 H new ATOM 319 N LYS A 22 5.678 2.687 6.971 1.00 0.00 N ATOM 320 CA LYS A 22 6.876 1.885 7.083 1.00 0.00 C ATOM 321 C LYS A 22 6.305 0.463 6.754 1.00 0.00 C ATOM 322 O LYS A 22 5.133 0.282 6.998 1.00 0.00 O ATOM 323 CB LYS A 22 7.323 1.622 8.550 1.00 0.00 C ATOM 324 CG LYS A 22 6.229 1.894 9.570 1.00 0.00 C ATOM 325 CD LYS A 22 6.545 1.455 10.975 1.00 0.00 C ATOM 326 CE LYS A 22 7.872 2.070 11.472 1.00 0.00 C ATOM 327 NZ LYS A 22 8.775 1.053 11.999 1.00 0.00 N ATOM 0 H LYS A 22 4.906 2.179 6.540 1.00 0.00 H new ATOM 0 HA LYS A 22 7.676 2.346 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.648 0.586 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.186 2.248 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.019 2.963 9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.317 1.392 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.734 1.749 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.610 0.368 11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.358 2.598 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.663 2.808 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.655 1.504 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.321 0.566 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.994 0.363 11.252 1.00 0.00 H new ATOM 341 N LEU A 23 7.263 -0.314 6.259 1.00 0.00 N ATOM 342 CA LEU A 23 6.913 -1.666 5.908 1.00 0.00 C ATOM 343 C LEU A 23 7.720 -2.465 6.964 1.00 0.00 C ATOM 344 O LEU A 23 8.511 -1.736 7.595 1.00 0.00 O ATOM 345 CB LEU A 23 7.164 -2.013 4.484 1.00 0.00 C ATOM 346 CG LEU A 23 5.970 -1.911 3.509 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.468 -2.224 2.077 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.908 -2.948 3.749 1.00 0.00 C ATOM 0 H LEU A 23 8.234 -0.043 6.102 1.00 0.00 H new ATOM 0 HA LEU A 23 5.846 -1.884 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.958 -1.365 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.543 -3.034 4.447 1.00 0.00 H new ATOM 0 HG LEU A 23 5.564 -0.909 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.634 -2.155 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.238 -1.506 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.883 -3.231 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.101 -2.816 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.338 -3.943 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.514 -2.838 4.759 1.00 0.00 H new ATOM 360 N THR A 24 7.487 -3.758 7.068 1.00 0.00 N ATOM 361 CA THR A 24 8.203 -4.581 8.031 1.00 0.00 C ATOM 362 C THR A 24 8.153 -6.036 7.483 1.00 0.00 C ATOM 363 O THR A 24 9.049 -6.551 6.875 1.00 0.00 O ATOM 364 CB THR A 24 7.712 -4.541 9.446 1.00 0.00 C ATOM 365 OG1 THR A 24 8.156 -3.444 10.250 1.00 0.00 O ATOM 366 CG2 THR A 24 7.985 -5.794 10.291 1.00 0.00 C ATOM 0 H THR A 24 6.808 -4.264 6.499 1.00 0.00 H new ATOM 0 HA THR A 24 9.211 -4.175 8.113 1.00 0.00 H new ATOM 0 HB THR A 24 6.649 -4.442 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.204 -3.724 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.585 -5.650 11.295 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.504 -6.656 9.829 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.060 -5.966 10.350 1.00 0.00 H new ATOM 374 N ILE A 25 6.996 -6.577 7.800 1.00 0.00 N ATOM 375 CA ILE A 25 6.709 -7.936 7.416 1.00 0.00 C ATOM 376 C ILE A 25 7.559 -8.899 8.249 1.00 0.00 C ATOM 377 O ILE A 25 8.748 -8.757 8.361 1.00 0.00 O ATOM 378 CB ILE A 25 6.920 -8.079 5.908 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.285 -7.016 5.046 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.264 -9.424 5.481 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.226 -5.965 4.423 1.00 0.00 C ATOM 0 H ILE A 25 6.253 -6.104 8.314 1.00 0.00 H new ATOM 0 HA ILE A 25 5.670 -8.193 7.620 1.00 0.00 H new ATOM 0 HB ILE A 25 7.997 -8.006 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.748 -7.512 4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.542 -6.492 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.392 -9.567 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.739 -10.246 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.201 -9.402 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.643 -5.261 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.746 -5.427 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.955 -6.463 3.784 1.00 0.00 H new ATOM 393 N THR A 26 6.911 -9.896 8.839 1.00 0.00 N ATOM 394 CA THR A 26 7.719 -10.807 9.636 1.00 0.00 C ATOM 395 C THR A 26 6.827 -12.049 9.800 1.00 0.00 C ATOM 396 O THR A 26 6.162 -12.313 10.781 1.00 0.00 O ATOM 397 CB THR A 26 8.100 -10.283 11.005 1.00 0.00 C ATOM 398 OG1 THR A 26 8.662 -9.005 10.954 1.00 0.00 O ATOM 399 CG2 THR A 26 9.083 -11.262 11.680 1.00 0.00 C ATOM 0 H THR A 26 5.910 -10.087 8.790 1.00 0.00 H new ATOM 0 HA THR A 26 8.672 -10.984 9.137 1.00 0.00 H new ATOM 0 HB THR A 26 7.183 -10.207 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.092 -8.871 10.084 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.356 -10.883 12.665 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.610 -12.238 11.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.979 -11.358 11.067 1.00 0.00 H new ATOM 407 N GLN A 27 6.947 -12.753 8.646 1.00 0.00 N ATOM 408 CA GLN A 27 6.152 -13.961 8.658 1.00 0.00 C ATOM 409 C GLN A 27 6.495 -14.949 9.753 1.00 0.00 C ATOM 410 O GLN A 27 7.664 -14.984 10.121 1.00 0.00 O ATOM 411 CB GLN A 27 6.203 -14.642 7.272 1.00 0.00 C ATOM 412 CG GLN A 27 7.624 -15.005 6.892 1.00 0.00 C ATOM 413 CD GLN A 27 8.327 -14.142 5.875 1.00 0.00 C ATOM 414 OE1 GLN A 27 7.755 -12.985 5.601 1.00 0.00 O flip ATOM 415 NE2 GLN A 27 9.368 -14.552 5.371 1.00 0.00 N flip ATOM 0 H GLN A 27 7.504 -12.537 7.819 1.00 0.00 H new ATOM 0 HA GLN A 27 5.137 -13.637 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.586 -15.540 7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.782 -13.975 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.224 -15.004 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.618 -16.028 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.742 -15.462 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.860 -13.983 4.682 1.00 0.00 H new ATOM 424 N GLU A 28 5.448 -15.681 10.209 1.00 0.00 N ATOM 425 CA GLU A 28 5.686 -16.664 11.276 1.00 0.00 C ATOM 426 C GLU A 28 5.340 -18.021 10.600 1.00 0.00 C ATOM 427 O GLU A 28 4.172 -18.418 10.757 1.00 0.00 O ATOM 428 CB GLU A 28 4.767 -16.268 12.417 1.00 0.00 C ATOM 429 CG GLU A 28 4.040 -14.954 12.172 1.00 0.00 C ATOM 430 CD GLU A 28 3.271 -14.503 13.408 1.00 0.00 C ATOM 431 OE1 GLU A 28 2.693 -15.360 14.098 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.250 -13.300 13.675 1.00 0.00 O ATOM 0 H GLU A 28 4.487 -15.613 9.874 1.00 0.00 H new ATOM 0 HA GLU A 28 6.692 -16.722 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.033 -17.058 12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.351 -16.187 13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.760 -14.186 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.351 -15.069 11.335 1.00 0.00 H new ATOM 439 N GLY A 29 6.339 -18.598 9.928 1.00 0.00 N ATOM 440 CA GLY A 29 5.903 -19.868 9.332 1.00 0.00 C ATOM 441 C GLY A 29 5.172 -19.410 8.042 1.00 0.00 C ATOM 442 O GLY A 29 5.754 -18.655 7.304 1.00 0.00 O ATOM 0 H GLY A 29 7.299 -18.281 9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.747 -20.521 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.240 -20.421 9.998 1.00 0.00 H new ATOM 446 N ASN A 30 3.953 -19.961 7.956 1.00 0.00 N ATOM 447 CA ASN A 30 3.101 -19.675 6.835 1.00 0.00 C ATOM 448 C ASN A 30 2.081 -18.607 7.236 1.00 0.00 C ATOM 449 O ASN A 30 0.895 -18.880 7.083 1.00 0.00 O ATOM 450 CB ASN A 30 2.278 -20.878 6.363 1.00 0.00 C ATOM 451 CG ASN A 30 3.055 -22.104 5.953 1.00 0.00 C ATOM 452 OD1 ASN A 30 4.389 -22.083 6.049 1.00 0.00 O flip ATOM 453 ND2 ASN A 30 2.451 -23.093 5.544 1.00 0.00 N flip ATOM 0 H ASN A 30 3.555 -20.596 8.648 1.00 0.00 H new ATOM 0 HA ASN A 30 3.769 -19.362 6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.594 -21.159 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.666 -20.563 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.433 -23.079 5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.968 -23.928 5.267 1.00 0.00 H new ATOM 460 N LYS A 31 2.546 -17.470 7.707 1.00 0.00 N ATOM 461 CA LYS A 31 1.506 -16.485 8.072 1.00 0.00 C ATOM 462 C LYS A 31 2.324 -15.221 7.695 1.00 0.00 C ATOM 463 O LYS A 31 3.396 -15.153 8.309 1.00 0.00 O ATOM 464 CB LYS A 31 1.034 -16.592 9.472 1.00 0.00 C ATOM 465 CG LYS A 31 -0.199 -15.666 9.668 1.00 0.00 C ATOM 466 CD LYS A 31 -0.403 -15.221 11.103 1.00 0.00 C ATOM 467 CE LYS A 31 -1.757 -15.703 11.625 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.266 -14.990 12.803 1.00 0.00 N ATOM 0 H LYS A 31 3.521 -17.205 7.843 1.00 0.00 H new ATOM 0 HA LYS A 31 0.533 -16.566 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.769 -17.624 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.830 -16.307 10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.085 -14.785 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.093 -16.189 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.397 -15.616 11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.349 -14.134 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.489 -15.614 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.678 -16.762 11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.186 -15.389 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.593 -15.094 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.380 -13.982 12.576 1.00 0.00 H new ATOM 482 N PHE A 32 1.803 -14.403 6.806 1.00 0.00 N ATOM 483 CA PHE A 32 2.632 -13.237 6.502 1.00 0.00 C ATOM 484 C PHE A 32 1.652 -12.120 6.940 1.00 0.00 C ATOM 485 O PHE A 32 0.526 -12.474 7.212 1.00 0.00 O ATOM 486 CB PHE A 32 3.038 -13.064 5.064 1.00 0.00 C ATOM 487 CG PHE A 32 4.099 -14.085 4.730 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.896 -15.430 4.982 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.305 -13.717 4.167 1.00 0.00 C ATOM 490 CE1 PHE A 32 4.919 -16.288 4.646 1.00 0.00 C ATOM 491 CE2 PHE A 32 6.252 -14.688 3.880 1.00 0.00 C ATOM 492 CZ PHE A 32 5.974 -15.994 4.157 1.00 0.00 C ATOM 0 H PHE A 32 0.910 -14.494 6.322 1.00 0.00 H new ATOM 0 HA PHE A 32 3.606 -13.278 6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.175 -13.190 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.419 -12.056 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.978 -15.790 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.509 -12.679 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.754 -17.337 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.200 -14.413 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.702 -16.761 3.937 1.00 0.00 H new ATOM 502 N THR A 33 2.316 -10.973 6.915 1.00 0.00 N ATOM 503 CA THR A 33 1.513 -9.815 7.304 1.00 0.00 C ATOM 504 C THR A 33 2.348 -8.727 6.650 1.00 0.00 C ATOM 505 O THR A 33 3.571 -8.695 6.902 1.00 0.00 O ATOM 506 CB THR A 33 1.294 -9.770 8.780 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.062 -9.400 9.024 1.00 0.00 O ATOM 508 CG2 THR A 33 2.119 -8.662 9.391 1.00 0.00 C ATOM 0 H THR A 33 3.292 -10.818 6.662 1.00 0.00 H new ATOM 0 HA THR A 33 0.472 -9.765 6.985 1.00 0.00 H new ATOM 0 HB THR A 33 1.554 -10.743 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.223 -9.367 9.990 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.953 -8.636 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.175 -8.842 9.191 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.825 -7.707 8.956 1.00 0.00 H new ATOM 516 N VAL A 34 1.694 -7.909 5.871 1.00 0.00 N ATOM 517 CA VAL A 34 2.512 -6.865 5.248 1.00 0.00 C ATOM 518 C VAL A 34 2.204 -5.676 6.088 1.00 0.00 C ATOM 519 O VAL A 34 1.133 -5.454 6.613 1.00 0.00 O ATOM 520 CB VAL A 34 1.966 -6.913 3.821 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.024 -5.665 3.000 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.779 -7.929 2.997 1.00 0.00 C ATOM 0 H VAL A 34 0.697 -7.921 5.656 1.00 0.00 H new ATOM 0 HA VAL A 34 3.599 -6.918 5.194 1.00 0.00 H new ATOM 0 HB VAL A 34 0.915 -7.148 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.600 -5.858 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.453 -4.878 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.061 -5.348 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.391 -7.965 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.826 -7.626 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.696 -8.916 3.452 1.00 0.00 H new ATOM 532 N LYS A 35 3.286 -4.878 6.178 1.00 0.00 N ATOM 533 CA LYS A 35 3.205 -3.674 6.935 1.00 0.00 C ATOM 534 C LYS A 35 2.804 -2.456 6.155 1.00 0.00 C ATOM 535 O LYS A 35 3.332 -1.384 6.158 1.00 0.00 O ATOM 536 CB LYS A 35 4.428 -3.448 7.854 1.00 0.00 C ATOM 537 CG LYS A 35 4.317 -2.277 8.847 1.00 0.00 C ATOM 538 CD LYS A 35 5.581 -2.072 9.674 1.00 0.00 C ATOM 539 CE LYS A 35 5.615 -2.698 11.074 1.00 0.00 C ATOM 540 NZ LYS A 35 6.369 -1.881 12.040 1.00 0.00 N ATOM 0 H LYS A 35 4.189 -5.061 5.740 1.00 0.00 H new ATOM 0 HA LYS A 35 2.358 -3.838 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.607 -4.363 8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.304 -3.285 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.097 -1.362 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.476 -2.456 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.423 -2.468 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.745 -1.000 9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.595 -2.831 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.063 -3.690 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.610 -2.459 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.242 -1.534 11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.788 -1.072 12.339 1.00 0.00 H new ATOM 554 N GLU A 36 1.712 -2.678 5.387 1.00 0.00 N ATOM 555 CA GLU A 36 1.172 -1.629 4.568 1.00 0.00 C ATOM 556 C GLU A 36 0.590 -0.623 5.604 1.00 0.00 C ATOM 557 O GLU A 36 -0.604 -0.758 5.933 1.00 0.00 O ATOM 558 CB GLU A 36 -0.047 -2.186 3.829 1.00 0.00 C ATOM 559 CG GLU A 36 0.321 -2.641 2.396 1.00 0.00 C ATOM 560 CD GLU A 36 -0.963 -3.325 1.882 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.885 -2.604 1.537 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.991 -4.567 1.839 1.00 0.00 O ATOM 0 H GLU A 36 1.213 -3.566 5.334 1.00 0.00 H new ATOM 0 HA GLU A 36 1.904 -1.216 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.458 -3.028 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.825 -1.424 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.602 -1.795 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.166 -3.329 2.400 1.00 0.00 H new ATOM 569 N SER A 37 1.453 0.305 6.044 1.00 0.00 N ATOM 570 CA SER A 37 0.941 1.267 7.012 1.00 0.00 C ATOM 571 C SER A 37 0.290 2.448 6.310 1.00 0.00 C ATOM 572 O SER A 37 0.871 3.068 5.441 1.00 0.00 O ATOM 573 CB SER A 37 2.062 1.655 7.967 1.00 0.00 C ATOM 574 OG SER A 37 2.006 0.715 9.045 1.00 0.00 O ATOM 0 H SER A 37 2.430 0.405 5.769 1.00 0.00 H new ATOM 0 HA SER A 37 0.148 0.820 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.030 1.618 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.929 2.674 8.331 1.00 0.00 H new ATOM 0 HG SER A 37 2.712 0.918 9.693 1.00 0.00 H new ATOM 580 N SER A 38 -0.958 2.713 6.747 1.00 0.00 N ATOM 581 CA SER A 38 -1.609 3.849 6.088 1.00 0.00 C ATOM 582 C SER A 38 -1.514 5.165 6.832 1.00 0.00 C ATOM 583 O SER A 38 -0.676 5.362 7.729 1.00 0.00 O ATOM 584 CB SER A 38 -3.070 3.395 5.810 1.00 0.00 C ATOM 585 OG SER A 38 -3.460 3.554 4.473 1.00 0.00 O ATOM 0 H SER A 38 -1.482 2.219 7.469 1.00 0.00 H new ATOM 0 HA SER A 38 -1.084 4.089 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.176 2.347 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.746 3.964 6.448 1.00 0.00 H new ATOM 0 HG SER A 38 -4.385 3.250 4.364 1.00 0.00 H new ATOM 591 N ASN A 39 -2.432 6.057 6.400 1.00 0.00 N ATOM 592 CA ASN A 39 -2.509 7.387 6.981 1.00 0.00 C ATOM 593 C ASN A 39 -3.577 7.447 8.076 1.00 0.00 C ATOM 594 O ASN A 39 -3.736 8.415 8.781 1.00 0.00 O ATOM 595 CB ASN A 39 -2.884 8.361 5.857 1.00 0.00 C ATOM 596 CG ASN A 39 -2.051 8.016 4.639 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.002 7.367 4.755 1.00 0.00 O ATOM 598 ND2 ASN A 39 -2.573 8.488 3.474 1.00 0.00 N ATOM 0 H ASN A 39 -3.113 5.872 5.663 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.551 7.647 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.946 8.285 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.698 9.389 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.091 8.315 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.447 9.014 3.483 1.00 0.00 H new ATOM 605 N PHE A 40 -4.278 6.313 8.121 1.00 0.00 N ATOM 606 CA PHE A 40 -5.312 6.286 9.128 1.00 0.00 C ATOM 607 C PHE A 40 -4.698 5.671 10.396 1.00 0.00 C ATOM 608 O PHE A 40 -4.572 6.361 11.398 1.00 0.00 O ATOM 609 CB PHE A 40 -6.508 5.464 8.626 1.00 0.00 C ATOM 610 CG PHE A 40 -7.148 6.093 7.439 1.00 0.00 C ATOM 611 CD1 PHE A 40 -6.516 6.016 6.222 1.00 0.00 C ATOM 612 CD2 PHE A 40 -8.358 6.748 7.496 1.00 0.00 C ATOM 613 CE1 PHE A 40 -7.104 6.593 5.126 1.00 0.00 C ATOM 614 CE2 PHE A 40 -8.846 7.281 6.345 1.00 0.00 C ATOM 615 CZ PHE A 40 -8.316 7.236 5.250 1.00 0.00 C ATOM 0 H PHE A 40 -4.163 5.486 7.535 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.680 7.288 9.346 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.176 4.458 8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.242 5.364 9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.568 5.507 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.902 6.835 8.425 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.616 6.543 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.795 7.793 6.408 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.787 7.692 4.392 1.00 0.00 H new ATOM 625 N ARG A 41 -4.372 4.401 10.221 1.00 0.00 N ATOM 626 CA ARG A 41 -3.779 3.559 11.229 1.00 0.00 C ATOM 627 C ARG A 41 -2.743 2.632 10.611 1.00 0.00 C ATOM 628 O ARG A 41 -2.247 3.020 9.554 1.00 0.00 O ATOM 629 CB ARG A 41 -4.886 2.701 11.835 1.00 0.00 C ATOM 630 CG ARG A 41 -5.559 1.798 10.794 1.00 0.00 C ATOM 631 CD ARG A 41 -6.747 2.374 10.014 1.00 0.00 C ATOM 632 NE ARG A 41 -7.859 1.432 10.184 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.732 1.532 11.203 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.621 2.502 12.103 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.741 0.671 11.359 1.00 0.00 N ATOM 0 H ARG A 41 -4.522 3.916 9.336 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.295 4.182 11.981 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.470 2.085 12.632 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.636 3.348 12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.800 1.493 10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.897 0.895 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.015 3.361 10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.497 2.492 8.960 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.974 0.677 9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.866 3.184 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.290 2.565 12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.868 -0.092 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.385 0.776 12.143 1.00 0.00 H new ATOM 649 N ASN A 42 -2.433 1.493 11.204 1.00 0.00 N ATOM 650 CA ASN A 42 -1.423 0.736 10.459 1.00 0.00 C ATOM 651 C ASN A 42 -2.208 0.148 9.284 1.00 0.00 C ATOM 652 O ASN A 42 -2.006 0.509 8.138 1.00 0.00 O ATOM 653 CB ASN A 42 -0.778 -0.389 11.260 1.00 0.00 C ATOM 654 CG ASN A 42 0.222 0.090 12.307 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.664 1.220 12.431 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.575 -0.926 13.121 1.00 0.00 N ATOM 0 H ASN A 42 -2.798 1.105 12.074 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.592 1.382 10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.561 -0.963 11.756 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.272 -1.067 10.573 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.238 -0.765 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.179 -1.855 12.978 1.00 0.00 H new ATOM 663 N ILE A 43 -3.073 -0.752 9.754 1.00 0.00 N ATOM 664 CA ILE A 43 -3.953 -1.454 8.790 1.00 0.00 C ATOM 665 C ILE A 43 -3.063 -2.407 8.056 1.00 0.00 C ATOM 666 O ILE A 43 -2.568 -2.434 6.961 1.00 0.00 O ATOM 667 CB ILE A 43 -4.645 -0.347 8.008 1.00 0.00 C ATOM 668 CG1 ILE A 43 -6.173 -0.496 7.983 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.293 -0.371 6.522 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.880 0.555 7.126 1.00 0.00 C ATOM 0 H ILE A 43 -3.189 -1.009 10.734 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.760 -2.075 9.179 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.312 0.556 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.426 -1.488 7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.552 -0.435 9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.814 0.439 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.217 -0.244 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.597 -1.325 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.956 0.386 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.658 1.549 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.530 0.480 6.096 1.00 0.00 H new ATOM 682 N ASP A 44 -2.800 -3.453 8.906 1.00 0.00 N ATOM 683 CA ASP A 44 -1.962 -4.552 8.495 1.00 0.00 C ATOM 684 C ASP A 44 -2.889 -5.528 7.781 1.00 0.00 C ATOM 685 O ASP A 44 -4.067 -5.511 8.144 1.00 0.00 O ATOM 686 CB ASP A 44 -1.385 -5.247 9.722 1.00 0.00 C ATOM 687 CG ASP A 44 -0.847 -4.310 10.810 1.00 0.00 C ATOM 688 OD1 ASP A 44 0.287 -3.835 10.633 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.521 -4.059 11.804 1.00 0.00 O ATOM 0 H ASP A 44 -3.165 -3.527 9.856 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.140 -4.213 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.158 -5.879 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.578 -5.906 9.401 1.00 0.00 H new ATOM 694 N VAL A 45 -2.268 -6.258 6.855 1.00 0.00 N ATOM 695 CA VAL A 45 -3.110 -7.222 6.126 1.00 0.00 C ATOM 696 C VAL A 45 -2.462 -8.550 6.459 1.00 0.00 C ATOM 697 O VAL A 45 -1.322 -8.802 6.130 1.00 0.00 O ATOM 698 CB VAL A 45 -3.213 -6.844 4.673 1.00 0.00 C ATOM 699 CG1 VAL A 45 -1.971 -7.016 3.796 1.00 0.00 C ATOM 700 CG2 VAL A 45 -4.293 -7.722 3.984 1.00 0.00 C ATOM 0 H VAL A 45 -1.281 -6.218 6.603 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.162 -7.255 6.409 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.425 -5.777 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.199 -6.703 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.160 -6.404 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.669 -8.063 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.368 -7.448 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.015 -8.773 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.256 -7.562 4.469 1.00 0.00 H new ATOM 710 N VAL A 46 -3.252 -9.382 7.134 1.00 0.00 N ATOM 711 CA VAL A 46 -2.667 -10.672 7.480 1.00 0.00 C ATOM 712 C VAL A 46 -3.389 -11.802 6.774 1.00 0.00 C ATOM 713 O VAL A 46 -4.547 -11.665 6.403 1.00 0.00 O ATOM 714 CB VAL A 46 -3.002 -10.796 8.973 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.494 -10.971 9.283 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.345 -12.013 9.629 1.00 0.00 C ATOM 0 H VAL A 46 -4.213 -9.211 7.430 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.610 -10.728 7.220 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.630 -9.849 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.635 -11.050 10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.047 -10.110 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.862 -11.877 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.617 -12.049 10.684 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.687 -12.922 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.262 -11.936 9.536 1.00 0.00 H new ATOM 726 N PHE A 47 -2.607 -12.879 6.633 1.00 0.00 N ATOM 727 CA PHE A 47 -3.143 -14.033 5.974 1.00 0.00 C ATOM 728 C PHE A 47 -2.263 -15.247 6.181 1.00 0.00 C ATOM 729 O PHE A 47 -1.238 -15.069 6.827 1.00 0.00 O ATOM 730 CB PHE A 47 -3.117 -13.795 4.438 1.00 0.00 C ATOM 731 CG PHE A 47 -1.975 -12.868 4.102 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.896 -11.532 4.296 1.00 0.00 C ATOM 733 CD2 PHE A 47 -0.841 -13.458 3.517 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.756 -10.822 3.934 1.00 0.00 C ATOM 735 CE2 PHE A 47 0.238 -12.681 3.196 1.00 0.00 C ATOM 736 CZ PHE A 47 0.223 -11.336 3.434 1.00 0.00 C ATOM 0 H PHE A 47 -1.643 -12.959 6.957 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.143 -14.194 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.999 -14.743 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.062 -13.363 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.731 -11.008 4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.822 -14.520 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.741 -9.756 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.110 -13.135 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.080 -10.731 3.178 1.00 0.00 H new ATOM 746 N GLU A 48 -2.665 -16.434 5.650 1.00 0.00 N ATOM 747 CA GLU A 48 -1.791 -17.532 5.883 1.00 0.00 C ATOM 748 C GLU A 48 -1.211 -18.193 4.610 1.00 0.00 C ATOM 749 O GLU A 48 -1.565 -19.322 4.333 1.00 0.00 O ATOM 750 CB GLU A 48 -2.679 -18.567 6.643 1.00 0.00 C ATOM 751 CG GLU A 48 -2.902 -18.210 8.088 1.00 0.00 C ATOM 752 CD GLU A 48 -3.925 -19.094 8.811 1.00 0.00 C ATOM 753 OE1 GLU A 48 -4.724 -19.831 8.282 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.933 -19.041 10.054 1.00 0.00 O ATOM 0 H GLU A 48 -3.513 -16.614 5.112 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.912 -17.186 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.644 -18.645 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.210 -19.549 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.950 -18.272 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.232 -17.173 8.146 1.00 0.00 H new ATOM 761 N LEU A 49 -0.383 -17.383 3.980 1.00 0.00 N ATOM 762 CA LEU A 49 0.331 -17.685 2.759 1.00 0.00 C ATOM 763 C LEU A 49 -0.266 -18.755 1.887 1.00 0.00 C ATOM 764 O LEU A 49 0.118 -19.902 1.750 1.00 0.00 O ATOM 765 CB LEU A 49 1.731 -18.133 3.234 1.00 0.00 C ATOM 766 CG LEU A 49 2.642 -18.695 2.184 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.726 -17.887 0.858 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.137 -18.613 2.608 1.00 0.00 C ATOM 0 H LEU A 49 -0.181 -16.445 4.327 1.00 0.00 H new ATOM 0 HA LEU A 49 0.314 -16.801 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.226 -17.278 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.603 -18.884 4.013 1.00 0.00 H new ATOM 0 HG LEU A 49 2.214 -19.690 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.412 -18.384 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.737 -17.830 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.088 -16.880 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.762 -19.031 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.411 -17.571 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.286 -19.179 3.527 1.00 0.00 H new ATOM 780 N GLY A 50 -1.330 -18.303 1.224 1.00 0.00 N ATOM 781 CA GLY A 50 -2.077 -19.150 0.311 1.00 0.00 C ATOM 782 C GLY A 50 -3.447 -19.377 1.023 1.00 0.00 C ATOM 783 O GLY A 50 -3.687 -20.543 1.201 1.00 0.00 O ATOM 0 H GLY A 50 -1.690 -17.352 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.208 -18.670 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.561 -20.093 0.132 1.00 0.00 H new ATOM 787 N VAL A 51 -4.078 -18.245 1.294 1.00 0.00 N ATOM 788 CA VAL A 51 -5.352 -18.238 1.939 1.00 0.00 C ATOM 789 C VAL A 51 -6.241 -17.064 1.584 1.00 0.00 C ATOM 790 O VAL A 51 -5.896 -15.905 1.786 1.00 0.00 O ATOM 791 CB VAL A 51 -5.245 -18.285 3.494 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.521 -17.958 4.234 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.895 -19.706 3.924 1.00 0.00 C ATOM 0 H VAL A 51 -3.713 -17.320 1.069 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.812 -19.149 1.556 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.495 -17.534 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.344 -18.018 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.844 -16.950 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.297 -18.671 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.818 -19.749 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.674 -20.390 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.942 -19.996 3.481 1.00 0.00 H new ATOM 803 N ASP A 52 -7.403 -17.509 1.040 1.00 0.00 N ATOM 804 CA ASP A 52 -8.358 -16.482 0.644 1.00 0.00 C ATOM 805 C ASP A 52 -9.177 -16.082 1.900 1.00 0.00 C ATOM 806 O ASP A 52 -9.340 -16.889 2.783 1.00 0.00 O ATOM 807 CB ASP A 52 -9.275 -16.860 -0.489 1.00 0.00 C ATOM 808 CG ASP A 52 -9.837 -18.281 -0.353 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.182 -18.697 0.763 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.915 -18.964 -1.372 1.00 0.00 O ATOM 0 H ASP A 52 -7.672 -18.480 0.882 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.781 -15.645 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.101 -16.151 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.733 -16.778 -1.431 1.00 0.00 H new ATOM 815 N PHE A 53 -9.594 -14.784 1.762 1.00 0.00 N ATOM 816 CA PHE A 53 -10.364 -14.299 2.881 1.00 0.00 C ATOM 817 C PHE A 53 -10.966 -12.922 2.695 1.00 0.00 C ATOM 818 O PHE A 53 -10.510 -12.209 1.803 1.00 0.00 O ATOM 819 CB PHE A 53 -9.572 -14.257 4.208 1.00 0.00 C ATOM 820 CG PHE A 53 -8.483 -13.206 4.121 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.359 -13.464 3.371 1.00 0.00 C ATOM 822 CD2 PHE A 53 -8.485 -11.974 4.733 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.354 -12.515 3.287 1.00 0.00 C ATOM 824 CE2 PHE A 53 -7.457 -11.068 4.612 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.377 -11.436 3.833 1.00 0.00 C ATOM 0 H PHE A 53 -9.424 -14.149 0.982 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.163 -15.039 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.243 -14.031 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.133 -15.234 4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.261 -14.404 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.337 -11.704 5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.486 -12.756 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.493 -10.108 5.106 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.547 -10.755 3.711 1.00 0.00 H new ATOM 835 N ALA A 54 -11.964 -12.531 3.501 1.00 0.00 N ATOM 836 CA ALA A 54 -12.561 -11.203 3.341 1.00 0.00 C ATOM 837 C ALA A 54 -12.000 -10.406 4.535 1.00 0.00 C ATOM 838 O ALA A 54 -11.892 -10.990 5.613 1.00 0.00 O ATOM 839 CB ALA A 54 -14.073 -11.184 3.408 1.00 0.00 C ATOM 0 H ALA A 54 -12.364 -13.098 4.249 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.320 -10.803 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.430 -10.162 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.480 -11.812 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.399 -11.564 4.376 1.00 0.00 H new ATOM 845 N TYR A 55 -11.671 -9.136 4.322 1.00 0.00 N ATOM 846 CA TYR A 55 -11.139 -8.394 5.464 1.00 0.00 C ATOM 847 C TYR A 55 -11.409 -6.911 5.281 1.00 0.00 C ATOM 848 O TYR A 55 -10.726 -6.249 4.518 1.00 0.00 O ATOM 849 CB TYR A 55 -9.658 -8.697 5.755 1.00 0.00 C ATOM 850 CG TYR A 55 -9.292 -8.764 7.215 1.00 0.00 C ATOM 851 CD1 TYR A 55 -9.690 -7.847 8.134 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.502 -9.783 7.755 1.00 0.00 C ATOM 853 CE1 TYR A 55 -9.345 -7.911 9.483 1.00 0.00 C ATOM 854 CE2 TYR A 55 -8.195 -9.793 9.100 1.00 0.00 C ATOM 855 CZ TYR A 55 -8.664 -8.796 9.928 1.00 0.00 C ATOM 856 OH TYR A 55 -8.333 -8.827 11.267 1.00 0.00 O ATOM 0 H TYR A 55 -11.753 -8.628 3.442 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.665 -8.735 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.400 -9.647 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.046 -7.931 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.306 -7.025 7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.129 -10.568 7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.701 -7.140 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.584 -10.586 9.506 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.778 -9.614 11.449 1.00 0.00 H new ATOM 866 N SER A 56 -12.425 -6.527 6.041 1.00 0.00 N ATOM 867 CA SER A 56 -12.743 -5.101 5.921 1.00 0.00 C ATOM 868 C SER A 56 -11.618 -4.400 6.702 1.00 0.00 C ATOM 869 O SER A 56 -11.811 -4.317 7.922 1.00 0.00 O ATOM 870 CB SER A 56 -14.129 -4.974 6.532 1.00 0.00 C ATOM 871 OG SER A 56 -14.834 -6.189 6.586 1.00 0.00 O ATOM 0 H SER A 56 -12.987 -7.095 6.675 1.00 0.00 H new ATOM 0 HA SER A 56 -12.780 -4.665 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.037 -4.572 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.707 -4.253 5.954 1.00 0.00 H new ATOM 0 HG SER A 56 -15.714 -6.039 6.990 1.00 0.00 H new ATOM 877 N LEU A 57 -10.618 -4.004 5.921 1.00 0.00 N ATOM 878 CA LEU A 57 -9.463 -3.328 6.478 1.00 0.00 C ATOM 879 C LEU A 57 -9.890 -1.982 7.082 1.00 0.00 C ATOM 880 O LEU A 57 -10.233 -1.978 8.264 1.00 0.00 O ATOM 881 CB LEU A 57 -8.408 -3.153 5.405 1.00 0.00 C ATOM 882 CG LEU A 57 -7.414 -4.338 5.371 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.825 -4.454 3.967 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.229 -4.236 6.299 1.00 0.00 C ATOM 0 H LEU A 57 -10.588 -4.140 4.911 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.030 -3.929 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.892 -3.058 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.862 -2.226 5.581 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.011 -5.193 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.123 -5.287 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.627 -4.627 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.304 -3.531 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.603 -5.122 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.648 -3.348 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.579 -4.165 7.329 1.00 0.00 H new ATOM 896 N ALA A 58 -9.865 -0.922 6.293 1.00 0.00 N ATOM 897 CA ALA A 58 -10.278 0.343 6.887 1.00 0.00 C ATOM 898 C ALA A 58 -11.784 0.328 7.142 1.00 0.00 C ATOM 899 O ALA A 58 -12.407 -0.681 6.776 1.00 0.00 O ATOM 900 CB ALA A 58 -9.955 1.463 5.929 1.00 0.00 C ATOM 0 H ALA A 58 -9.586 -0.901 5.312 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.752 0.489 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.261 2.414 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.882 1.480 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.489 1.305 4.992 1.00 0.00 H new ATOM 906 N ASP A 59 -12.257 1.430 7.748 1.00 0.00 N ATOM 907 CA ASP A 59 -13.691 1.487 8.024 1.00 0.00 C ATOM 908 C ASP A 59 -14.476 1.858 6.798 1.00 0.00 C ATOM 909 O ASP A 59 -15.074 2.909 6.743 1.00 0.00 O ATOM 910 CB ASP A 59 -13.974 2.463 9.182 1.00 0.00 C ATOM 911 CG ASP A 59 -15.351 2.209 9.784 1.00 0.00 C ATOM 912 OD1 ASP A 59 -16.001 1.286 9.303 1.00 0.00 O ATOM 913 OD2 ASP A 59 -15.789 2.887 10.699 1.00 0.00 O ATOM 0 H ASP A 59 -11.707 2.239 8.037 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.017 0.491 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.210 2.352 9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.915 3.490 8.820 1.00 0.00 H new ATOM 918 N GLY A 60 -14.442 0.935 5.815 1.00 0.00 N ATOM 919 CA GLY A 60 -15.160 1.175 4.586 1.00 0.00 C ATOM 920 C GLY A 60 -14.771 0.081 3.575 1.00 0.00 C ATOM 921 O GLY A 60 -15.683 -0.326 2.871 1.00 0.00 O ATOM 0 H GLY A 60 -13.937 0.050 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.235 1.161 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.916 2.161 4.191 1.00 0.00 H new ATOM 925 N THR A 61 -13.498 -0.284 3.594 1.00 0.00 N ATOM 926 CA THR A 61 -12.900 -1.284 2.751 1.00 0.00 C ATOM 927 C THR A 61 -13.621 -2.627 2.774 1.00 0.00 C ATOM 928 O THR A 61 -14.455 -2.853 3.658 1.00 0.00 O ATOM 929 CB THR A 61 -11.373 -1.482 3.001 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.077 -2.102 4.212 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.572 -0.192 2.829 1.00 0.00 C ATOM 0 H THR A 61 -12.826 0.138 4.236 1.00 0.00 H new ATOM 0 HA THR A 61 -13.019 -0.873 1.749 1.00 0.00 H new ATOM 0 HB THR A 61 -11.056 -2.171 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.776 -1.893 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.517 -0.391 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.697 0.181 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.930 0.556 3.536 1.00 0.00 H new ATOM 939 N GLU A 62 -13.269 -3.476 1.807 1.00 0.00 N ATOM 940 CA GLU A 62 -13.917 -4.788 1.768 1.00 0.00 C ATOM 941 C GLU A 62 -13.106 -5.682 0.847 1.00 0.00 C ATOM 942 O GLU A 62 -13.561 -6.365 -0.057 1.00 0.00 O ATOM 943 CB GLU A 62 -15.326 -4.571 1.245 1.00 0.00 C ATOM 944 CG GLU A 62 -16.289 -5.701 1.649 1.00 0.00 C ATOM 945 CD GLU A 62 -17.697 -5.249 1.256 1.00 0.00 C ATOM 946 OE1 GLU A 62 -18.028 -4.127 1.606 1.00 0.00 O ATOM 947 OE2 GLU A 62 -18.416 -6.021 0.626 1.00 0.00 O ATOM 0 H GLU A 62 -12.579 -3.296 1.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.969 -5.265 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.707 -3.622 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.298 -4.494 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.027 -6.630 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.230 -5.893 2.720 1.00 0.00 H new ATOM 954 N LEU A 63 -11.780 -5.618 1.173 1.00 0.00 N ATOM 955 CA LEU A 63 -10.859 -6.413 0.402 1.00 0.00 C ATOM 956 C LEU A 63 -11.109 -7.878 0.735 1.00 0.00 C ATOM 957 O LEU A 63 -11.092 -8.292 1.879 1.00 0.00 O ATOM 958 CB LEU A 63 -9.409 -5.984 0.683 1.00 0.00 C ATOM 959 CG LEU A 63 -8.890 -4.757 -0.089 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.456 -3.457 0.439 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.374 -4.696 0.049 1.00 0.00 C ATOM 0 H LEU A 63 -11.374 -5.054 1.920 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.018 -6.264 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.315 -5.780 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.755 -6.827 0.461 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.203 -4.870 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.057 -2.625 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.543 -3.472 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.176 -3.337 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.994 -3.831 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.108 -4.609 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.934 -5.604 -0.363 1.00 0.00 H new ATOM 973 N THR A 64 -11.338 -8.603 -0.366 1.00 0.00 N ATOM 974 CA THR A 64 -11.611 -10.011 -0.387 1.00 0.00 C ATOM 975 C THR A 64 -10.570 -10.575 -1.387 1.00 0.00 C ATOM 976 O THR A 64 -10.715 -10.537 -2.597 1.00 0.00 O ATOM 977 CB THR A 64 -13.008 -10.283 -0.925 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.979 -9.978 0.039 1.00 0.00 O ATOM 979 CG2 THR A 64 -13.230 -11.738 -1.274 1.00 0.00 C ATOM 0 H THR A 64 -11.334 -8.189 -1.298 1.00 0.00 H new ATOM 0 HA THR A 64 -11.554 -10.454 0.607 1.00 0.00 H new ATOM 0 HB THR A 64 -13.095 -9.661 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.870 -10.158 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 64 -14.244 -11.871 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.515 -12.042 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.092 -12.351 -0.383 1.00 0.00 H new ATOM 987 N GLY A 65 -9.546 -11.078 -0.710 1.00 0.00 N ATOM 988 CA GLY A 65 -8.510 -11.631 -1.607 1.00 0.00 C ATOM 989 C GLY A 65 -7.666 -12.539 -0.704 1.00 0.00 C ATOM 990 O GLY A 65 -8.133 -12.846 0.382 1.00 0.00 O ATOM 0 H GLY A 65 -9.403 -11.123 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.955 -12.192 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.906 -10.840 -2.051 1.00 0.00 H new ATOM 994 N THR A 66 -6.503 -12.859 -1.283 1.00 0.00 N ATOM 995 CA THR A 66 -5.506 -13.690 -0.688 1.00 0.00 C ATOM 996 C THR A 66 -4.058 -13.275 -0.901 1.00 0.00 C ATOM 997 O THR A 66 -3.790 -12.659 -1.944 1.00 0.00 O ATOM 998 CB THR A 66 -5.701 -15.061 -1.408 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.809 -15.950 -0.846 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.356 -14.854 -2.900 1.00 0.00 C ATOM 0 H THR A 66 -6.242 -12.524 -2.210 1.00 0.00 H new ATOM 0 HA THR A 66 -5.643 -13.665 0.393 1.00 0.00 H new ATOM 0 HB THR A 66 -6.719 -15.437 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.906 -16.826 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.481 -15.795 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.020 -14.102 -3.326 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.323 -14.519 -2.991 1.00 0.00 H new ATOM 1008 N TRP A 67 -3.127 -13.566 0.007 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.732 -13.151 -0.227 1.00 0.00 C ATOM 1010 C TRP A 67 -0.879 -14.423 0.000 1.00 0.00 C ATOM 1011 O TRP A 67 -0.997 -14.938 1.077 1.00 0.00 O ATOM 1012 CB TRP A 67 -1.235 -12.074 0.707 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.668 -10.735 0.151 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.346 -9.723 0.835 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.465 -10.257 -1.188 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.517 -8.761 -0.017 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.015 -8.985 -1.288 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.881 -10.766 -2.306 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -1.958 -8.314 -2.469 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -0.830 -10.080 -3.478 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.376 -8.823 -3.582 1.00 0.00 C ATOM 0 H TRP A 67 -3.295 -14.067 0.880 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.660 -12.728 -1.229 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -1.642 -12.220 1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.149 -12.117 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.664 -9.739 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.992 -7.893 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.442 -11.752 -2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -2.397 -7.329 -2.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.355 -10.528 -4.338 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.343 -8.267 -4.507 1.00 0.00 H new ATOM 1032 N THR A 68 -0.176 -14.662 -1.105 1.00 0.00 N ATOM 1033 CA THR A 68 0.716 -15.800 -1.186 1.00 0.00 C ATOM 1034 C THR A 68 2.092 -15.375 -1.754 1.00 0.00 C ATOM 1035 O THR A 68 2.228 -15.288 -2.946 1.00 0.00 O ATOM 1036 CB THR A 68 0.222 -16.990 -1.960 1.00 0.00 C ATOM 1037 OG1 THR A 68 1.151 -17.630 -2.814 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.056 -16.760 -2.807 1.00 0.00 C ATOM 0 H THR A 68 -0.211 -14.085 -1.945 1.00 0.00 H new ATOM 0 HA THR A 68 0.786 -16.136 -0.152 1.00 0.00 H new ATOM 0 HB THR A 68 0.007 -17.641 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.620 -16.957 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.322 -17.683 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.876 -16.460 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.870 -15.976 -3.541 1.00 0.00 H new ATOM 1046 N MET A 69 2.932 -15.177 -0.743 1.00 0.00 N ATOM 1047 CA MET A 69 4.322 -14.767 -0.908 1.00 0.00 C ATOM 1048 C MET A 69 5.055 -15.992 -1.407 1.00 0.00 C ATOM 1049 O MET A 69 4.805 -17.093 -0.910 1.00 0.00 O ATOM 1050 CB MET A 69 4.922 -14.479 0.501 1.00 0.00 C ATOM 1051 CG MET A 69 6.420 -14.741 0.553 1.00 0.00 C ATOM 1052 SD MET A 69 7.378 -13.577 -0.436 1.00 0.00 S ATOM 1053 CE MET A 69 6.947 -12.052 0.433 1.00 0.00 C ATOM 0 H MET A 69 2.660 -15.299 0.232 1.00 0.00 H new ATOM 0 HA MET A 69 4.402 -13.901 -1.565 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.727 -13.441 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.420 -15.102 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.756 -14.690 1.589 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.618 -15.754 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.532 -11.225 0.029 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.885 -11.845 0.299 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.164 -12.165 1.495 1.00 0.00 H new ATOM 1063 N GLU A 70 5.921 -15.680 -2.377 1.00 0.00 N ATOM 1064 CA GLU A 70 6.693 -16.786 -2.945 1.00 0.00 C ATOM 1065 C GLU A 70 8.088 -16.227 -3.180 1.00 0.00 C ATOM 1066 O GLU A 70 8.187 -15.270 -3.927 1.00 0.00 O ATOM 1067 CB GLU A 70 6.069 -17.293 -4.244 1.00 0.00 C ATOM 1068 CG GLU A 70 6.828 -17.129 -5.544 1.00 0.00 C ATOM 1069 CD GLU A 70 8.129 -17.965 -5.460 1.00 0.00 C ATOM 1070 OE1 GLU A 70 8.166 -18.931 -4.678 1.00 0.00 O ATOM 1071 OE2 GLU A 70 9.051 -17.598 -6.188 1.00 0.00 O ATOM 0 H GLU A 70 6.097 -14.751 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 70 6.713 -17.646 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.864 -18.356 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.107 -16.795 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.218 -17.461 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.063 -16.079 -5.716 1.00 0.00 H new ATOM 1078 N GLY A 71 9.039 -16.888 -2.515 1.00 0.00 N ATOM 1079 CA GLY A 71 10.410 -16.505 -2.611 1.00 0.00 C ATOM 1080 C GLY A 71 10.457 -14.965 -2.387 1.00 0.00 C ATOM 1081 O GLY A 71 10.441 -14.550 -1.241 1.00 0.00 O ATOM 0 H GLY A 71 8.863 -17.689 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.011 -17.024 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.818 -16.767 -3.587 1.00 0.00 H new ATOM 1085 N ASN A 72 10.511 -14.293 -3.533 1.00 0.00 N ATOM 1086 CA ASN A 72 10.558 -12.855 -3.553 1.00 0.00 C ATOM 1087 C ASN A 72 9.440 -12.311 -4.442 1.00 0.00 C ATOM 1088 O ASN A 72 9.789 -11.500 -5.295 1.00 0.00 O ATOM 1089 CB ASN A 72 11.959 -12.407 -3.977 1.00 0.00 C ATOM 1090 CG ASN A 72 12.541 -13.446 -4.925 1.00 0.00 C ATOM 1091 OD1 ASN A 72 13.585 -14.026 -4.594 1.00 0.00 O ATOM 1092 ND2 ASN A 72 11.873 -13.677 -6.055 1.00 0.00 N ATOM 0 H ASN A 72 10.523 -14.731 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 72 10.380 -12.443 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.912 -11.434 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.600 -12.293 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.216 -14.373 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.019 -13.158 -6.258 1.00 0.00 H new ATOM 1099 N LYS A 73 8.212 -12.777 -4.192 1.00 0.00 N ATOM 1100 CA LYS A 73 7.094 -12.314 -4.999 1.00 0.00 C ATOM 1101 C LYS A 73 5.906 -12.040 -4.077 1.00 0.00 C ATOM 1102 O LYS A 73 5.882 -12.553 -2.955 1.00 0.00 O ATOM 1103 CB LYS A 73 6.804 -13.246 -6.160 1.00 0.00 C ATOM 1104 CG LYS A 73 7.966 -13.489 -7.091 1.00 0.00 C ATOM 1105 CD LYS A 73 7.568 -13.516 -8.553 1.00 0.00 C ATOM 1106 CE LYS A 73 8.007 -12.191 -9.214 1.00 0.00 C ATOM 1107 NZ LYS A 73 7.893 -12.198 -10.662 1.00 0.00 N ATOM 0 H LYS A 73 7.977 -13.450 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 73 7.343 -11.373 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.471 -14.204 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.976 -12.835 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.713 -12.710 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.437 -14.437 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.037 -14.362 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.490 -13.646 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.402 -11.377 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.041 -11.983 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.988 -11.227 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.644 -12.793 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.965 -12.579 -10.935 1.00 0.00 H new ATOM 1121 N LEU A 74 4.955 -11.251 -4.540 1.00 0.00 N ATOM 1122 CA LEU A 74 3.820 -10.953 -3.697 1.00 0.00 C ATOM 1123 C LEU A 74 2.516 -10.827 -4.414 1.00 0.00 C ATOM 1124 O LEU A 74 1.899 -9.783 -4.463 1.00 0.00 O ATOM 1125 CB LEU A 74 4.162 -9.649 -2.912 1.00 0.00 C ATOM 1126 CG LEU A 74 4.612 -10.044 -1.501 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.300 -8.992 -0.633 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.467 -10.639 -0.657 1.00 0.00 C ATOM 0 H LEU A 74 4.945 -10.819 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 74 3.664 -11.802 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.950 -9.094 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.292 -8.995 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 74 5.378 -10.777 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.556 -9.428 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.209 -8.649 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.628 -8.147 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.842 -10.901 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.668 -9.905 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.081 -11.533 -1.147 1.00 0.00 H new ATOM 1140 N VAL A 75 2.193 -12.040 -4.959 1.00 0.00 N ATOM 1141 CA VAL A 75 1.019 -12.305 -5.714 1.00 0.00 C ATOM 1142 C VAL A 75 -0.184 -12.807 -4.911 1.00 0.00 C ATOM 1143 O VAL A 75 -0.218 -13.492 -3.921 1.00 0.00 O ATOM 1144 CB VAL A 75 1.454 -13.243 -6.837 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.393 -13.607 -7.865 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.509 -12.535 -7.700 1.00 0.00 C ATOM 0 H VAL A 75 2.791 -12.860 -4.857 1.00 0.00 H new ATOM 0 HA VAL A 75 0.617 -11.372 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 75 1.770 -14.137 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.823 -14.277 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.440 -14.104 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.035 -12.701 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.825 -13.198 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.082 -11.627 -8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.370 -12.277 -7.083 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.268 -12.340 -5.500 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.604 -12.630 -4.983 1.00 0.00 C ATOM 1158 C GLY A 76 -3.475 -11.454 -5.532 1.00 0.00 C ATOM 1159 O GLY A 76 -3.113 -11.050 -6.612 1.00 0.00 O ATOM 0 H GLY A 76 -1.256 -11.758 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.968 -13.596 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.614 -12.661 -3.893 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.467 -11.114 -4.692 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.325 -10.051 -5.101 1.00 0.00 C ATOM 1165 C LYS A 77 -6.620 -9.998 -4.306 1.00 0.00 C ATOM 1166 O LYS A 77 -7.193 -11.026 -4.039 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.753 -10.283 -6.553 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.160 -9.819 -6.842 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.171 -10.924 -7.151 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.701 -11.805 -8.310 1.00 0.00 C ATOM 1171 NZ LYS A 77 -8.732 -12.000 -9.327 1.00 0.00 N ATOM 0 H LYS A 77 -4.668 -11.542 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.760 -9.131 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.062 -9.761 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.674 -11.346 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.520 -9.252 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.130 -9.132 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.323 -11.539 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.134 -10.478 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.823 -11.353 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.393 -12.775 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.360 -12.604 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.562 -12.457 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.010 -11.078 -9.721 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.862 -8.698 -4.065 1.00 0.00 N ATOM 1186 CA PHE A 78 -8.047 -8.301 -3.315 1.00 0.00 C ATOM 1187 C PHE A 78 -8.777 -7.347 -4.231 1.00 0.00 C ATOM 1188 O PHE A 78 -8.564 -7.122 -5.394 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.572 -7.809 -1.965 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.817 -8.811 -1.172 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.588 -9.230 -1.673 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -7.090 -9.447 0.006 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.791 -10.154 -1.045 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -6.243 -10.375 0.592 1.00 0.00 C ATOM 1195 CZ PHE A 78 -5.191 -10.719 0.139 1.00 0.00 C ATOM 0 H PHE A 78 -6.266 -7.929 -4.372 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.773 -9.072 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.941 -6.933 -2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.437 -7.484 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.244 -8.806 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.017 -9.214 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.846 -10.437 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.556 -10.819 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.577 -11.449 0.645 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.766 -6.739 -3.559 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.616 -5.788 -4.239 1.00 0.00 C ATOM 1207 C LYS A 79 -11.534 -4.994 -3.344 1.00 0.00 C ATOM 1208 O LYS A 79 -11.251 -4.638 -2.218 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.424 -6.786 -5.130 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.516 -6.499 -6.604 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.858 -5.886 -7.049 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.017 -5.844 -8.564 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.184 -6.540 -9.110 1.00 0.00 N ATOM 0 H LYS A 79 -9.983 -6.891 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.064 -4.997 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.982 -7.775 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.439 -6.840 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.710 -5.819 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.354 -7.426 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.676 -6.464 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.939 -4.874 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.064 -4.800 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.121 -6.271 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.583 -5.986 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.898 -7.477 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.901 -6.652 -8.365 1.00 0.00 H new ATOM 1227 N ARG A 80 -12.723 -4.717 -3.924 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.697 -3.962 -3.167 1.00 0.00 C ATOM 1229 C ARG A 80 -15.078 -3.981 -3.833 1.00 0.00 C ATOM 1230 O ARG A 80 -15.404 -3.136 -4.652 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.267 -2.529 -2.815 1.00 0.00 C ATOM 1232 CG ARG A 80 -14.371 -1.754 -2.110 1.00 0.00 C ATOM 1233 CD ARG A 80 -13.763 -0.515 -1.433 1.00 0.00 C ATOM 1234 NE ARG A 80 -14.765 0.339 -0.857 1.00 0.00 N ATOM 1235 CZ ARG A 80 -14.610 1.657 -0.702 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -13.460 2.229 -1.101 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -15.546 2.448 -0.168 1.00 0.00 N ATOM 0 H ARG A 80 -13.005 -4.995 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.766 -4.483 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.384 -2.563 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.981 -2.003 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.136 -1.454 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.859 -2.386 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.069 -0.833 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.185 0.049 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.641 -0.084 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.723 1.658 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.325 3.234 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.432 2.051 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.374 3.449 -0.073 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.796 -4.999 -3.396 1.00 0.00 N ATOM 1252 CA VAL A 81 -17.139 -5.324 -3.795 1.00 0.00 C ATOM 1253 C VAL A 81 -17.989 -4.075 -4.133 1.00 0.00 C ATOM 1254 O VAL A 81 -18.823 -4.178 -5.015 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.808 -5.981 -2.601 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -19.113 -5.280 -2.190 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -18.197 -7.460 -2.774 1.00 0.00 C ATOM 0 H VAL A 81 -15.427 -5.658 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.080 -5.954 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.022 -5.895 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -19.547 -5.793 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.902 -4.244 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.817 -5.305 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.666 -7.822 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.897 -7.557 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.304 -8.049 -2.982 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.673 -3.029 -3.385 1.00 0.00 N ATOM 1268 CA ASP A 82 -18.330 -1.733 -3.514 1.00 0.00 C ATOM 1269 C ASP A 82 -18.298 -1.225 -4.934 1.00 0.00 C ATOM 1270 O ASP A 82 -19.369 -0.836 -5.404 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.663 -0.731 -2.558 1.00 0.00 C ATOM 1272 CG ASP A 82 -18.639 0.315 -2.023 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.792 1.331 -2.690 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.251 0.186 -0.965 1.00 0.00 O ATOM 0 H ASP A 82 -16.949 -3.053 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.380 -1.849 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.223 -1.272 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.847 -0.228 -3.077 1.00 0.00 H new ATOM 1279 N ASN A 83 -17.110 -1.221 -5.616 1.00 0.00 N ATOM 1280 CA ASN A 83 -17.152 -0.732 -6.949 1.00 0.00 C ATOM 1281 C ASN A 83 -16.376 -1.499 -8.016 1.00 0.00 C ATOM 1282 O ASN A 83 -16.143 -0.829 -9.046 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.593 0.714 -6.967 1.00 0.00 C ATOM 1284 CG ASN A 83 -16.733 1.399 -5.612 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -15.808 1.089 -4.712 1.00 0.00 O flip ATOM 1286 ND2 ASN A 83 -17.640 2.191 -5.376 1.00 0.00 N flip ATOM 0 H ASN A 83 -16.204 -1.532 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.204 -0.832 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.542 0.693 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.119 1.296 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -18.332 2.403 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -17.702 2.637 -4.461 1.00 0.00 H new ATOM 1293 N GLY A 84 -16.007 -2.756 -7.809 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.260 -3.415 -8.899 1.00 0.00 C ATOM 1295 C GLY A 84 -13.972 -2.565 -8.981 1.00 0.00 C ATOM 1296 O GLY A 84 -13.614 -2.051 -10.005 1.00 0.00 O ATOM 0 H GLY A 84 -16.187 -3.312 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.044 -4.459 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.815 -3.403 -9.837 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.437 -2.577 -7.730 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.223 -1.878 -7.456 1.00 0.00 C ATOM 1302 C LYS A 85 -10.902 -2.540 -7.823 1.00 0.00 C ATOM 1303 O LYS A 85 -10.456 -2.139 -8.892 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.233 -1.774 -5.919 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.942 -1.150 -5.386 1.00 0.00 C ATOM 1306 CD LYS A 85 -11.097 0.373 -5.243 1.00 0.00 C ATOM 1307 CE LYS A 85 -11.892 0.899 -4.060 1.00 0.00 C ATOM 1308 NZ LYS A 85 -11.577 2.345 -3.953 1.00 0.00 N ATOM 0 H LYS A 85 -13.844 -3.063 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.234 -0.968 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.086 -1.174 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.362 -2.767 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.692 -1.588 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.117 -1.375 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.099 0.808 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.564 0.748 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.960 0.744 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.620 0.373 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.186 2.781 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.580 2.464 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.744 2.805 -4.871 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.419 -3.445 -6.944 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.170 -4.082 -7.239 1.00 0.00 C ATOM 1324 C GLU A 86 -7.989 -3.207 -6.705 1.00 0.00 C ATOM 1325 O GLU A 86 -7.697 -2.324 -7.460 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.888 -4.438 -8.681 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.966 -5.269 -9.409 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.621 -5.429 -10.863 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.613 -4.983 -11.415 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.452 -6.062 -11.521 1.00 0.00 O ATOM 0 H GLU A 86 -10.868 -3.724 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.257 -5.042 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.737 -3.513 -9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.949 -4.990 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.054 -6.249 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.936 -4.781 -9.312 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.600 -3.665 -5.538 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.504 -3.098 -4.735 1.00 0.00 C ATOM 1339 C LEU A 87 -5.495 -4.198 -4.446 1.00 0.00 C ATOM 1340 O LEU A 87 -5.123 -4.474 -3.338 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.996 -2.325 -3.513 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.865 -1.547 -2.788 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -5.595 -0.213 -3.544 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.109 -1.239 -1.324 1.00 0.00 C ATOM 0 H LEU A 87 -8.043 -4.469 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.988 -2.326 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.771 -1.623 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.457 -3.021 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.006 -2.218 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.801 0.337 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.291 -0.430 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.504 0.389 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.256 -0.694 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.008 -0.631 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.239 -2.170 -0.773 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.155 -4.740 -5.616 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.199 -5.840 -5.670 1.00 0.00 C ATOM 1358 C ILE A 88 -2.839 -5.147 -5.516 1.00 0.00 C ATOM 1359 O ILE A 88 -2.908 -3.953 -5.356 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.345 -6.442 -7.066 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.804 -6.763 -7.416 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.506 -7.649 -7.443 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -6.075 -6.942 -8.927 1.00 0.00 C ATOM 0 H ILE A 88 -5.520 -4.441 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.329 -6.622 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.938 -5.620 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.097 -7.675 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.440 -5.963 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.735 -7.946 -8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.449 -7.395 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.731 -8.474 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.130 -7.166 -9.083 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.817 -6.023 -9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.469 -7.763 -9.311 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.795 -5.978 -5.580 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.442 -5.499 -5.454 1.00 0.00 C ATOM 1377 C ALA A 89 0.499 -6.556 -5.987 1.00 0.00 C ATOM 1378 O ALA A 89 0.947 -7.383 -5.250 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.138 -5.183 -3.971 1.00 0.00 C ATOM 0 H ALA A 89 -1.875 -6.985 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.309 -4.583 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.886 -4.821 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.827 -4.418 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.258 -6.087 -3.374 1.00 0.00 H new ATOM 1385 N VAL A 90 0.741 -6.446 -7.290 1.00 0.00 N ATOM 1386 CA VAL A 90 1.622 -7.388 -7.913 1.00 0.00 C ATOM 1387 C VAL A 90 3.056 -6.912 -7.668 1.00 0.00 C ATOM 1388 O VAL A 90 3.361 -5.790 -8.093 1.00 0.00 O ATOM 1389 CB VAL A 90 1.465 -7.405 -9.421 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.718 -7.962 -10.131 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.365 -8.271 -10.007 1.00 0.00 C ATOM 0 H VAL A 90 0.347 -5.734 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 90 1.398 -8.372 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 90 1.247 -6.351 -9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.559 -7.955 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.580 -7.341 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.901 -8.984 -9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.373 -8.183 -11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.532 -9.311 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.601 -7.942 -9.623 1.00 0.00 H new ATOM 1401 N ARG A 91 3.859 -7.781 -7.006 1.00 0.00 N ATOM 1402 CA ARG A 91 5.168 -7.261 -6.827 1.00 0.00 C ATOM 1403 C ARG A 91 6.141 -8.285 -6.298 1.00 0.00 C ATOM 1404 O ARG A 91 5.721 -9.275 -5.797 1.00 0.00 O ATOM 1405 CB ARG A 91 5.187 -6.171 -5.707 1.00 0.00 C ATOM 1406 CG ARG A 91 6.342 -5.204 -5.806 1.00 0.00 C ATOM 1407 CD ARG A 91 6.501 -4.478 -7.129 1.00 0.00 C ATOM 1408 NE ARG A 91 7.909 -4.520 -7.509 1.00 0.00 N ATOM 1409 CZ ARG A 91 8.291 -4.336 -8.773 1.00 0.00 C ATOM 1410 NH1 ARG A 91 7.396 -4.114 -9.756 1.00 0.00 N ATOM 1411 NH2 ARG A 91 9.576 -4.358 -9.162 1.00 0.00 N ATOM 0 H ARG A 91 3.641 -8.709 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 91 5.446 -6.896 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.253 -5.610 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.223 -6.664 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.232 -4.459 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.263 -5.750 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.887 -4.949 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.163 -3.446 -7.039 1.00 0.00 H new ATOM 0 HE ARG A 91 8.615 -4.694 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.399 -4.084 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.715 -3.976 -10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.314 -4.521 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.815 -4.211 -10.143 1.00 0.00 H new ATOM 1425 N GLU A 92 7.392 -7.844 -6.507 1.00 0.00 N ATOM 1426 CA GLU A 92 8.484 -8.650 -6.068 1.00 0.00 C ATOM 1427 C GLU A 92 9.650 -7.693 -5.737 1.00 0.00 C ATOM 1428 O GLU A 92 9.878 -6.850 -6.593 1.00 0.00 O ATOM 1429 CB GLU A 92 8.833 -9.522 -7.262 1.00 0.00 C ATOM 1430 CG GLU A 92 8.305 -9.018 -8.622 1.00 0.00 C ATOM 1431 CD GLU A 92 9.307 -9.378 -9.729 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.439 -9.762 -9.466 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.854 -9.251 -10.875 1.00 0.00 O ATOM 0 H GLU A 92 7.642 -6.966 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 92 8.265 -9.259 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.918 -9.611 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.441 -10.524 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.335 -9.467 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.157 -7.939 -8.589 1.00 0.00 H new ATOM 1440 N ILE A 93 10.205 -7.950 -4.573 1.00 0.00 N ATOM 1441 CA ILE A 93 11.322 -7.131 -4.119 1.00 0.00 C ATOM 1442 C ILE A 93 12.341 -7.005 -5.247 1.00 0.00 C ATOM 1443 O ILE A 93 12.702 -8.055 -5.791 1.00 0.00 O ATOM 1444 CB ILE A 93 11.869 -7.595 -2.770 1.00 0.00 C ATOM 1445 CG1 ILE A 93 13.383 -7.338 -2.658 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.710 -9.090 -2.514 1.00 0.00 C ATOM 1447 CD1 ILE A 93 13.692 -5.878 -2.355 1.00 0.00 C ATOM 0 H ILE A 93 9.918 -8.694 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 93 10.986 -6.117 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 93 11.284 -7.023 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.801 -7.968 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.870 -7.626 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.123 -9.338 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.652 -9.353 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.241 -9.650 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.771 -5.742 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.298 -5.249 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.228 -5.597 -1.410 1.00 0.00 H new ATOM 1459 N SER A 94 12.728 -5.775 -5.531 1.00 0.00 N ATOM 1460 CA SER A 94 13.688 -5.660 -6.619 1.00 0.00 C ATOM 1461 C SER A 94 15.115 -5.978 -6.278 1.00 0.00 C ATOM 1462 O SER A 94 15.669 -6.989 -6.753 1.00 0.00 O ATOM 1463 CB SER A 94 13.479 -4.281 -7.316 1.00 0.00 C ATOM 1464 OG SER A 94 13.366 -3.219 -6.453 1.00 0.00 O ATOM 0 H SER A 94 12.429 -4.913 -5.075 1.00 0.00 H new ATOM 0 HA SER A 94 13.477 -6.459 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.316 -4.098 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.580 -4.331 -7.930 1.00 0.00 H new ATOM 0 HG SER A 94 13.239 -2.393 -6.965 1.00 0.00 H new ATOM 1470 N GLY A 95 15.752 -5.132 -5.450 1.00 0.00 N ATOM 1471 CA GLY A 95 17.154 -5.416 -5.100 1.00 0.00 C ATOM 1472 C GLY A 95 17.155 -5.625 -3.569 1.00 0.00 C ATOM 1473 O GLY A 95 17.402 -6.688 -3.025 1.00 0.00 O ATOM 0 H GLY A 95 15.349 -4.294 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.517 -6.303 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.806 -4.590 -5.385 1.00 0.00 H new ATOM 1477 N ASN A 96 16.858 -4.471 -2.934 1.00 0.00 N ATOM 1478 CA ASN A 96 16.806 -4.445 -1.478 1.00 0.00 C ATOM 1479 C ASN A 96 15.702 -3.462 -1.063 1.00 0.00 C ATOM 1480 O ASN A 96 15.824 -2.898 0.028 1.00 0.00 O ATOM 1481 CB ASN A 96 18.190 -4.092 -0.939 1.00 0.00 C ATOM 1482 CG ASN A 96 18.953 -3.282 -1.982 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.395 -2.408 -2.634 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.235 -3.670 -2.044 1.00 0.00 N ATOM 0 H ASN A 96 16.659 -3.583 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 96 16.552 -5.415 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.097 -3.520 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.740 -5.001 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.874 -3.217 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.571 -4.418 -1.438 1.00 0.00 H new ATOM 1491 N GLU A 97 14.723 -3.331 -1.956 1.00 0.00 N ATOM 1492 CA GLU A 97 13.630 -2.442 -1.693 1.00 0.00 C ATOM 1493 C GLU A 97 12.419 -2.829 -2.579 1.00 0.00 C ATOM 1494 O GLU A 97 12.491 -2.811 -3.783 1.00 0.00 O ATOM 1495 CB GLU A 97 13.929 -0.955 -1.775 1.00 0.00 C ATOM 1496 CG GLU A 97 15.028 -0.622 -2.785 1.00 0.00 C ATOM 1497 CD GLU A 97 14.859 -1.353 -4.108 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.116 -0.839 -4.925 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.482 -2.411 -4.281 1.00 0.00 O ATOM 0 H GLU A 97 14.677 -3.825 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 97 13.398 -2.584 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.019 -0.421 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.227 -0.595 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.033 0.453 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.997 -0.877 -2.356 1.00 0.00 H new ATOM 1506 N LEU A 98 11.398 -3.151 -1.794 1.00 0.00 N ATOM 1507 CA LEU A 98 10.115 -3.551 -2.306 1.00 0.00 C ATOM 1508 C LEU A 98 9.269 -2.274 -2.585 1.00 0.00 C ATOM 1509 O LEU A 98 9.039 -1.498 -1.690 1.00 0.00 O ATOM 1510 CB LEU A 98 9.474 -4.368 -1.185 1.00 0.00 C ATOM 1511 CG LEU A 98 8.593 -5.511 -1.700 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.557 -5.941 -0.672 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.781 -5.034 -2.909 1.00 0.00 C ATOM 0 H LEU A 98 11.449 -3.138 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 98 10.187 -4.124 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.258 -4.780 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.873 -3.707 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 98 9.268 -6.333 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.955 -6.753 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.061 -6.282 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.911 -5.097 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.156 -5.850 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.149 -4.196 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.460 -4.717 -3.701 1.00 0.00 H new ATOM 1525 N ILE A 99 8.897 -2.223 -3.873 1.00 0.00 N ATOM 1526 CA ILE A 99 8.116 -1.127 -4.354 1.00 0.00 C ATOM 1527 C ILE A 99 6.669 -1.299 -3.833 1.00 0.00 C ATOM 1528 O ILE A 99 6.471 -0.618 -2.859 1.00 0.00 O ATOM 1529 CB ILE A 99 8.256 -1.223 -5.889 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.644 -0.643 -6.257 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.220 -0.305 -6.509 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.159 -0.994 -7.635 1.00 0.00 C ATOM 0 H ILE A 99 9.131 -2.927 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 99 8.429 -0.139 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 99 8.135 -2.251 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.597 0.443 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.369 -0.989 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.296 -0.352 -7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.223 -0.620 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.396 0.718 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.137 -0.536 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.248 -2.077 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.464 -0.623 -8.388 1.00 0.00 H new ATOM 1544 N GLN A 100 5.963 -2.155 -4.559 1.00 0.00 N ATOM 1545 CA GLN A 100 4.553 -2.506 -4.296 1.00 0.00 C ATOM 1546 C GLN A 100 3.892 -1.581 -5.366 1.00 0.00 C ATOM 1547 O GLN A 100 3.947 -0.381 -5.246 1.00 0.00 O ATOM 1548 CB GLN A 100 4.049 -2.206 -2.917 1.00 0.00 C ATOM 1549 CG GLN A 100 4.723 -2.875 -1.715 1.00 0.00 C ATOM 1550 CD GLN A 100 3.648 -3.361 -0.736 1.00 0.00 C ATOM 1551 OE1 GLN A 100 2.772 -2.618 -0.308 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.756 -4.678 -0.389 1.00 0.00 N ATOM 0 H GLN A 100 6.353 -2.641 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 100 4.350 -3.575 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.113 -1.128 -2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.992 -2.469 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.335 -3.714 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.391 -2.170 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.507 -5.248 -0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.085 -5.091 0.259 1.00 0.00 H new ATOM 1561 N THR A 101 3.331 -2.331 -6.323 1.00 0.00 N ATOM 1562 CA THR A 101 2.681 -1.714 -7.404 1.00 0.00 C ATOM 1563 C THR A 101 1.241 -1.248 -7.257 1.00 0.00 C ATOM 1564 O THR A 101 0.835 -0.287 -7.841 1.00 0.00 O ATOM 1565 CB THR A 101 2.757 -2.541 -8.711 1.00 0.00 C ATOM 1566 OG1 THR A 101 1.989 -3.709 -8.653 1.00 0.00 O ATOM 1567 CG2 THR A 101 4.150 -2.872 -9.216 1.00 0.00 C ATOM 0 H THR A 101 3.332 -3.351 -6.340 1.00 0.00 H new ATOM 0 HA THR A 101 3.276 -0.801 -7.435 1.00 0.00 H new ATOM 0 HB THR A 101 2.334 -1.854 -9.443 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.582 -4.488 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.075 -3.453 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.694 -1.949 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.682 -3.453 -8.462 1.00 0.00 H new ATOM 1575 N TYR A 102 0.593 -2.055 -6.423 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.818 -1.731 -6.171 1.00 0.00 C ATOM 1577 C TYR A 102 -1.474 -1.821 -7.589 1.00 0.00 C ATOM 1578 O TYR A 102 -1.808 -0.749 -8.044 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.036 -0.365 -5.590 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.307 -0.007 -4.356 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -0.688 -0.203 -3.067 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.924 0.607 -4.500 1.00 0.00 C ATOM 1583 CE1 TYR A 102 0.081 0.177 -1.994 1.00 0.00 C ATOM 1584 CE2 TYR A 102 1.673 0.976 -3.414 1.00 0.00 C ATOM 1585 CZ TYR A 102 1.298 0.784 -2.286 1.00 0.00 C ATOM 1586 OH TYR A 102 2.111 1.191 -1.262 1.00 0.00 O ATOM 0 H TYR A 102 0.974 -2.871 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.242 -2.409 -5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.776 0.367 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.102 -0.254 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.639 -0.679 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.304 0.800 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.242 0.013 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.628 1.453 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 102 2.924 1.595 -1.631 1.00 0.00 H new ATOM 1596 N THR A 103 -1.560 -3.073 -8.072 1.00 0.00 N ATOM 1597 CA THR A 103 -2.141 -3.371 -9.389 1.00 0.00 C ATOM 1598 C THR A 103 -3.622 -3.091 -9.270 1.00 0.00 C ATOM 1599 O THR A 103 -4.515 -3.913 -9.205 1.00 0.00 O ATOM 1600 CB THR A 103 -1.803 -4.769 -9.875 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.443 -4.890 -10.219 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.533 -5.220 -11.142 1.00 0.00 C ATOM 0 H THR A 103 -1.233 -3.896 -7.566 1.00 0.00 H new ATOM 0 HA THR A 103 -1.712 -2.738 -10.166 1.00 0.00 H new ATOM 0 HB THR A 103 -2.104 -5.380 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.105 -4.422 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.220 -6.231 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.609 -5.208 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.292 -4.543 -11.962 1.00 0.00 H new ATOM 1610 N TYR A 104 -3.798 -1.757 -9.241 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.140 -1.241 -9.132 1.00 0.00 C ATOM 1612 C TYR A 104 -5.796 -1.043 -10.461 1.00 0.00 C ATOM 1613 O TYR A 104 -5.365 -0.243 -11.299 1.00 0.00 O ATOM 1614 CB TYR A 104 -4.984 0.052 -8.272 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.196 0.885 -8.132 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.737 1.603 -9.197 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.933 1.050 -6.971 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.865 2.360 -9.035 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.064 1.835 -6.868 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.477 2.489 -8.011 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.590 3.293 -8.024 1.00 0.00 O ATOM 0 H TYR A 104 -3.055 -1.060 -9.290 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.826 -1.940 -8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.648 -0.236 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.195 0.663 -8.710 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.259 1.561 -10.164 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.600 0.529 -6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.236 2.886 -9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.601 1.933 -5.936 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.992 3.309 -7.130 1.00 0.00 H new ATOM 1631 N GLU A 105 -6.865 -1.812 -10.627 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.683 -1.814 -11.825 1.00 0.00 C ATOM 1633 C GLU A 105 -6.910 -2.217 -13.058 1.00 0.00 C ATOM 1634 O GLU A 105 -7.019 -1.571 -14.095 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.196 -0.365 -11.909 1.00 0.00 C ATOM 1636 CG GLU A 105 -9.637 -0.456 -12.459 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.186 0.928 -12.759 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -9.549 1.866 -12.257 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.207 1.043 -13.456 1.00 0.00 O ATOM 0 H GLU A 105 -7.191 -2.465 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.488 -2.547 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.182 0.112 -10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.565 0.235 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.648 -1.061 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.277 -0.957 -11.733 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.135 -3.309 -12.880 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.355 -3.790 -13.980 1.00 0.00 C ATOM 1648 C GLY A 106 -4.157 -2.972 -14.396 1.00 0.00 C ATOM 1649 O GLY A 106 -3.439 -3.220 -15.368 1.00 0.00 O ATOM 0 H GLY A 106 -6.050 -3.838 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.008 -4.793 -13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.014 -3.885 -14.843 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.885 -1.894 -13.622 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.780 -1.000 -13.871 1.00 0.00 C ATOM 1655 C VAL A 107 -1.763 -0.915 -12.758 1.00 0.00 C ATOM 1656 O VAL A 107 -2.156 -0.845 -11.590 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.389 0.414 -14.063 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.370 1.499 -14.338 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.398 0.494 -15.206 1.00 0.00 C ATOM 0 H VAL A 107 -4.443 -1.638 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.245 -1.385 -14.739 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.872 0.584 -13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.880 2.455 -14.459 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.673 1.563 -13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.823 1.261 -15.250 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.782 1.511 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.910 0.220 -16.142 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.223 -0.192 -15.012 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.485 -0.922 -13.240 1.00 0.00 N ATOM 1670 CA GLU A 108 0.633 -0.842 -12.293 1.00 0.00 C ATOM 1671 C GLU A 108 0.642 0.592 -11.789 1.00 0.00 C ATOM 1672 O GLU A 108 0.568 1.480 -12.614 1.00 0.00 O ATOM 1673 CB GLU A 108 1.942 -1.261 -12.943 1.00 0.00 C ATOM 1674 CG GLU A 108 1.931 -2.789 -13.146 1.00 0.00 C ATOM 1675 CD GLU A 108 3.113 -3.186 -14.017 1.00 0.00 C ATOM 1676 OE1 GLU A 108 3.056 -2.860 -15.189 1.00 0.00 O ATOM 1677 OE2 GLU A 108 4.017 -3.807 -13.454 1.00 0.00 O ATOM 0 H GLU A 108 -0.227 -0.979 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 108 0.515 -1.533 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.067 -0.754 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.785 -0.970 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.987 -3.296 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.997 -3.099 -13.616 1.00 0.00 H new ATOM 1684 N ALA A 109 0.739 0.702 -10.435 1.00 0.00 N ATOM 1685 CA ALA A 109 0.756 2.018 -9.892 1.00 0.00 C ATOM 1686 C ALA A 109 1.782 2.179 -8.738 1.00 0.00 C ATOM 1687 O ALA A 109 1.437 2.781 -7.744 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.586 2.174 -9.132 1.00 0.00 C ATOM 0 H ALA A 109 0.801 -0.068 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 109 0.964 2.709 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.639 3.168 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.415 2.042 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.649 1.421 -8.346 1.00 0.00 H new ATOM 1694 N LYS A 110 2.915 1.584 -9.096 1.00 0.00 N ATOM 1695 CA LYS A 110 3.997 1.611 -8.178 1.00 0.00 C ATOM 1696 C LYS A 110 4.612 3.010 -8.173 1.00 0.00 C ATOM 1697 O LYS A 110 4.296 3.833 -9.025 1.00 0.00 O ATOM 1698 CB LYS A 110 5.171 0.648 -8.529 1.00 0.00 C ATOM 1699 CG LYS A 110 5.363 0.639 -10.047 1.00 0.00 C ATOM 1700 CD LYS A 110 6.639 -0.155 -10.422 1.00 0.00 C ATOM 1701 CE LYS A 110 7.155 0.226 -11.796 1.00 0.00 C ATOM 1702 NZ LYS A 110 8.114 1.334 -11.821 1.00 0.00 N ATOM 0 H LYS A 110 3.085 1.103 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 110 3.565 1.305 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.086 0.973 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.954 -0.358 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.493 0.191 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.441 1.661 -10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.414 0.030 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.423 -1.223 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.625 -0.649 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.305 0.489 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.406 1.518 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.669 2.187 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.948 1.084 -11.252 1.00 0.00 H new ATOM 1716 N ARG A 111 5.461 3.131 -7.165 1.00 0.00 N ATOM 1717 CA ARG A 111 6.159 4.401 -6.986 1.00 0.00 C ATOM 1718 C ARG A 111 7.532 3.901 -6.450 1.00 0.00 C ATOM 1719 O ARG A 111 8.459 3.620 -7.171 1.00 0.00 O ATOM 1720 CB ARG A 111 5.480 5.364 -6.038 1.00 0.00 C ATOM 1721 CG ARG A 111 4.286 6.137 -6.603 1.00 0.00 C ATOM 1722 CD ARG A 111 3.411 6.727 -5.485 1.00 0.00 C ATOM 1723 NE ARG A 111 2.710 7.818 -6.107 1.00 0.00 N ATOM 1724 CZ ARG A 111 1.398 8.011 -6.084 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.565 7.186 -5.461 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.859 9.070 -6.697 1.00 0.00 N ATOM 0 H ARG A 111 5.680 2.404 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 111 6.207 4.996 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.145 4.806 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.221 6.084 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.644 6.940 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.684 5.474 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.718 5.984 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.018 7.072 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 111 3.272 8.504 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.928 6.366 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.438 7.372 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.458 9.735 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.151 9.212 -6.675 1.00 0.00 H new ATOM 1740 N ILE A 112 7.537 3.828 -5.101 1.00 0.00 N ATOM 1741 CA ILE A 112 8.772 3.378 -4.488 1.00 0.00 C ATOM 1742 C ILE A 112 8.551 3.227 -2.961 1.00 0.00 C ATOM 1743 O ILE A 112 7.432 3.515 -2.580 1.00 0.00 O ATOM 1744 CB ILE A 112 10.015 4.164 -4.771 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.767 5.502 -5.502 1.00 0.00 C ATOM 1746 CG2 ILE A 112 11.050 3.425 -5.615 1.00 0.00 C ATOM 1747 CD1 ILE A 112 10.756 6.583 -5.089 1.00 0.00 C ATOM 0 H ILE A 112 6.765 4.056 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 112 8.984 2.424 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 112 10.391 4.336 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.836 5.343 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.753 5.843 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.917 4.067 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.359 2.517 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.614 3.163 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.538 7.503 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.670 6.765 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.770 6.257 -5.321 1.00 0.00 H new ATOM 1759 N PHE A 113 9.664 2.810 -2.402 1.00 0.00 N ATOM 1760 CA PHE A 113 9.824 2.556 -1.012 1.00 0.00 C ATOM 1761 C PHE A 113 11.160 1.768 -0.900 1.00 0.00 C ATOM 1762 O PHE A 113 11.718 1.515 -1.959 1.00 0.00 O ATOM 1763 CB PHE A 113 8.774 1.646 -0.355 1.00 0.00 C ATOM 1764 CG PHE A 113 7.467 2.300 -0.111 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.361 3.666 0.202 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.244 1.638 -0.168 1.00 0.00 C ATOM 1767 CE1 PHE A 113 6.115 4.243 0.424 1.00 0.00 C ATOM 1768 CE2 PHE A 113 5.062 2.342 0.082 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.969 3.508 0.348 1.00 0.00 C ATOM 0 H PHE A 113 10.513 2.635 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 113 9.757 3.521 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.618 0.774 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.168 1.283 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.253 4.272 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.208 0.585 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.054 5.295 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.141 1.780 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.005 3.963 0.522 1.00 0.00 H new ATOM 1779 N LYS A 114 11.474 1.476 0.360 1.00 0.00 N ATOM 1780 CA LYS A 114 12.686 0.716 0.587 1.00 0.00 C ATOM 1781 C LYS A 114 12.695 0.073 1.983 1.00 0.00 C ATOM 1782 O LYS A 114 11.694 -0.204 2.581 1.00 0.00 O ATOM 1783 CB LYS A 114 13.929 1.518 0.234 1.00 0.00 C ATOM 1784 CG LYS A 114 14.272 2.675 1.132 1.00 0.00 C ATOM 1785 CD LYS A 114 13.070 3.156 1.997 1.00 0.00 C ATOM 1786 CE LYS A 114 13.347 4.473 2.723 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.580 5.598 1.843 1.00 0.00 N ATOM 0 H LYS A 114 10.940 1.737 1.189 1.00 0.00 H new ATOM 0 HA LYS A 114 12.704 -0.127 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.779 0.836 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.809 1.900 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.092 2.386 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.629 3.506 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.195 3.276 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.826 2.387 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.501 4.702 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.217 4.344 3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.574 6.479 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.503 5.488 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.830 5.637 1.123 1.00 0.00 H new ATOM 1801 N LYS A 115 13.908 -0.154 2.456 1.00 0.00 N ATOM 1802 CA LYS A 115 14.208 -0.766 3.741 1.00 0.00 C ATOM 1803 C LYS A 115 14.812 0.140 4.786 1.00 0.00 C ATOM 1804 O LYS A 115 14.406 1.286 4.948 1.00 0.00 O ATOM 1805 CB LYS A 115 14.948 -2.071 3.412 1.00 0.00 C ATOM 1806 CG LYS A 115 14.715 -3.110 4.523 1.00 0.00 C ATOM 1807 CD LYS A 115 15.909 -4.067 4.497 1.00 0.00 C ATOM 1808 CE LYS A 115 15.711 -5.312 5.331 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.862 -6.198 5.418 1.00 0.00 N ATOM 0 H LYS A 115 14.748 0.094 1.933 1.00 0.00 H new ATOM 0 HA LYS A 115 13.295 -0.998 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.599 -2.465 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.015 -1.875 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.632 -2.624 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.783 -3.651 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.106 -4.359 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.794 -3.539 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.429 -5.011 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.872 -5.874 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.624 -7.019 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.123 -6.522 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.663 -5.687 5.841 1.00 0.00 H new ATOM 1823 N GLU A 116 15.807 -0.432 5.486 1.00 0.00 N ATOM 1824 CA GLU A 116 16.529 0.248 6.533 1.00 0.00 C ATOM 1825 C GLU A 116 17.988 0.525 6.153 1.00 0.00 C ATOM 1826 O GLU A 116 18.356 1.695 6.105 1.00 0.00 O ATOM 1827 CB GLU A 116 16.511 -0.785 7.695 1.00 0.00 C ATOM 1828 CG GLU A 116 16.576 -0.262 9.103 1.00 0.00 C ATOM 1829 CD GLU A 116 15.363 0.694 9.318 1.00 0.00 C ATOM 1830 OE1 GLU A 116 14.222 0.258 9.149 1.00 0.00 O ATOM 1831 OE2 GLU A 116 15.650 1.860 9.650 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.742 -0.404 5.909 1.00 0.00 O ATOM 0 H GLU A 116 16.122 -1.389 5.326 1.00 0.00 H new ATOM 0 HA GLU A 116 16.084 1.216 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.602 -1.379 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.351 -1.464 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.544 -1.085 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.514 0.268 9.270 1.00 0.00 H new TER 1839 GLU A 116