USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Single : A 30 ASN : amide:sc= 1.21 K(o=1.2,f=-0.049) USER MOD Single : A 43 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.51) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.342 USER MOD Single : A 56 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-0.38) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00988 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0628) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0997 K(o=-0.1,f=-4.8!) USER MOD Single : A 75 SER OG : rot -51:sc= 1.15 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.26) USER MOD Single : A 90 MET CE :methyl 162:sc= -0.0917 (180deg=-0.528) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 27.716 -15.857 4.511 1.00 0.00 N ATOM 2 CA ASP A 28 27.032 -14.639 4.082 1.00 0.00 C ATOM 3 C ASP A 28 27.419 -14.322 2.644 1.00 0.00 C ATOM 4 O ASP A 28 28.586 -14.476 2.272 1.00 0.00 O ATOM 5 CB ASP A 28 27.412 -13.475 5.013 1.00 0.00 C ATOM 6 CG ASP A 28 26.723 -12.172 4.668 1.00 0.00 C ATOM 7 OD1 ASP A 28 25.511 -12.032 4.958 1.00 0.00 O ATOM 8 OD2 ASP A 28 27.386 -11.251 4.164 1.00 0.00 O ATOM 0 HA ASP A 28 25.953 -14.785 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 28 27.165 -13.746 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 28 28.491 -13.327 4.974 1.00 0.00 H new ATOM 13 N PRO A 29 26.442 -13.924 1.786 1.00 0.00 N ATOM 14 CA PRO A 29 26.712 -13.516 0.392 1.00 0.00 C ATOM 15 C PRO A 29 27.589 -12.270 0.325 1.00 0.00 C ATOM 16 O PRO A 29 28.041 -11.758 1.346 1.00 0.00 O ATOM 17 CB PRO A 29 25.315 -13.184 -0.159 1.00 0.00 C ATOM 18 CG PRO A 29 24.365 -13.880 0.745 1.00 0.00 C ATOM 19 CD PRO A 29 25.003 -13.869 2.096 1.00 0.00 C ATOM 0 HA PRO A 29 27.241 -14.291 -0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 29 25.139 -12.108 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 29 25.205 -13.529 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 29 23.401 -13.372 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 29 24.181 -14.900 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.745 -12.970 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 29 24.687 -14.721 2.698 1.00 0.00 H new ATOM 27 N ASN A 30 27.837 -11.796 -0.873 1.00 0.00 N ATOM 28 CA ASN A 30 28.591 -10.555 -1.059 1.00 0.00 C ATOM 29 C ASN A 30 27.857 -9.409 -0.406 1.00 0.00 C ATOM 30 O ASN A 30 28.476 -8.514 0.175 1.00 0.00 O ATOM 31 CB ASN A 30 28.843 -10.271 -2.546 1.00 0.00 C ATOM 32 CG ASN A 30 29.532 -8.930 -2.804 1.00 0.00 C ATOM 33 OD1 ASN A 30 30.766 -8.837 -2.797 1.00 0.00 O ATOM 34 ND2 ASN A 30 28.753 -7.908 -3.084 1.00 0.00 N ATOM 0 H ASN A 30 27.533 -12.242 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 30 29.565 -10.667 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 29.456 -11.071 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.891 -10.290 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 30 29.162 -7.000 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 30 27.740 -8.023 -3.080 1.00 0.00 H new ATOM 41 N ALA A 31 26.527 -9.485 -0.466 1.00 0.00 N ATOM 42 CA ALA A 31 25.623 -8.511 0.119 1.00 0.00 C ATOM 43 C ALA A 31 25.744 -7.165 -0.562 1.00 0.00 C ATOM 44 O ALA A 31 26.577 -6.335 -0.203 1.00 0.00 O ATOM 45 CB ALA A 31 25.798 -8.391 1.639 1.00 0.00 C ATOM 0 H ALA A 31 26.042 -10.249 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 31 24.611 -8.879 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 25.100 -7.650 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 31 25.601 -9.356 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.818 -8.081 1.864 1.00 0.00 H new ATOM 51 N GLU A 32 24.946 -6.976 -1.588 1.00 0.00 N ATOM 52 CA GLU A 32 24.915 -5.749 -2.314 1.00 0.00 C ATOM 53 C GLU A 32 24.142 -4.715 -1.514 1.00 0.00 C ATOM 54 O GLU A 32 24.334 -3.511 -1.659 1.00 0.00 O ATOM 55 CB GLU A 32 24.277 -5.937 -3.704 1.00 0.00 C ATOM 56 CG GLU A 32 25.052 -6.829 -4.697 1.00 0.00 C ATOM 57 CD GLU A 32 25.170 -8.283 -4.281 1.00 0.00 C ATOM 58 OE1 GLU A 32 24.213 -9.058 -4.490 1.00 0.00 O ATOM 59 OE2 GLU A 32 26.220 -8.677 -3.757 1.00 0.00 O ATOM 0 H GLU A 32 24.298 -7.683 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 32 25.939 -5.406 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.282 -6.360 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.147 -4.954 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.560 -6.782 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.054 -6.420 -4.827 1.00 0.00 H new ATOM 66 N PHE A 33 23.277 -5.214 -0.665 1.00 0.00 N ATOM 67 CA PHE A 33 22.457 -4.414 0.217 1.00 0.00 C ATOM 68 C PHE A 33 23.253 -4.033 1.462 1.00 0.00 C ATOM 69 O PHE A 33 24.334 -4.577 1.704 1.00 0.00 O ATOM 70 CB PHE A 33 21.205 -5.224 0.625 1.00 0.00 C ATOM 71 CG PHE A 33 21.525 -6.554 1.274 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.685 -7.684 0.502 1.00 0.00 C ATOM 73 CD2 PHE A 33 21.680 -6.663 2.652 1.00 0.00 C ATOM 74 CE1 PHE A 33 21.992 -8.897 1.072 1.00 0.00 C ATOM 75 CE2 PHE A 33 21.991 -7.876 3.227 1.00 0.00 C ATOM 76 CZ PHE A 33 22.148 -8.995 2.432 1.00 0.00 C ATOM 0 H PHE A 33 23.118 -6.217 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 33 22.150 -3.504 -0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.606 -4.628 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.593 -5.399 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.567 -7.616 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.556 -5.790 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 33 22.110 -9.772 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.112 -7.952 4.298 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.393 -9.946 2.881 1.00 0.00 H new ATOM 86 N ASP A 34 22.736 -3.116 2.236 1.00 0.00 N ATOM 87 CA ASP A 34 23.376 -2.747 3.483 1.00 0.00 C ATOM 88 C ASP A 34 22.779 -3.607 4.593 1.00 0.00 C ATOM 89 O ASP A 34 21.564 -3.603 4.777 1.00 0.00 O ATOM 90 CB ASP A 34 23.134 -1.272 3.797 1.00 0.00 C ATOM 91 CG ASP A 34 23.933 -0.813 4.992 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.597 -1.174 6.119 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.946 -0.103 4.803 1.00 0.00 O ATOM 0 H ASP A 34 21.875 -2.608 2.031 1.00 0.00 H new ATOM 0 HA ASP A 34 24.451 -2.907 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 34 23.399 -0.668 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 34 22.073 -1.110 3.986 1.00 0.00 H new ATOM 98 N PRO A 35 23.603 -4.376 5.338 1.00 0.00 N ATOM 99 CA PRO A 35 23.111 -5.280 6.388 1.00 0.00 C ATOM 100 C PRO A 35 22.618 -4.566 7.655 1.00 0.00 C ATOM 101 O PRO A 35 22.004 -5.195 8.537 1.00 0.00 O ATOM 102 CB PRO A 35 24.318 -6.177 6.716 1.00 0.00 C ATOM 103 CG PRO A 35 25.363 -5.842 5.694 1.00 0.00 C ATOM 104 CD PRO A 35 25.062 -4.451 5.218 1.00 0.00 C ATOM 0 HA PRO A 35 22.236 -5.825 6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.683 -5.988 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.047 -7.232 6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.361 -5.896 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 35 25.337 -6.550 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.558 -3.698 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.392 -4.294 4.191 1.00 0.00 H new ATOM 112 N ASP A 36 22.868 -3.281 7.755 1.00 0.00 N ATOM 113 CA ASP A 36 22.436 -2.523 8.914 1.00 0.00 C ATOM 114 C ASP A 36 21.034 -2.012 8.675 1.00 0.00 C ATOM 115 O ASP A 36 20.214 -1.930 9.594 1.00 0.00 O ATOM 116 CB ASP A 36 23.398 -1.358 9.184 1.00 0.00 C ATOM 117 CG ASP A 36 23.043 -0.543 10.401 1.00 0.00 C ATOM 118 OD1 ASP A 36 23.477 -0.904 11.510 1.00 0.00 O ATOM 119 OD2 ASP A 36 22.360 0.491 10.268 1.00 0.00 O ATOM 0 H ASP A 36 23.367 -2.737 7.051 1.00 0.00 H new ATOM 0 HA ASP A 36 22.440 -3.169 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.407 -1.753 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.414 -0.704 8.312 1.00 0.00 H new ATOM 124 N LEU A 37 20.745 -1.707 7.431 1.00 0.00 N ATOM 125 CA LEU A 37 19.441 -1.209 7.047 1.00 0.00 C ATOM 126 C LEU A 37 18.510 -2.364 6.686 1.00 0.00 C ATOM 127 O LEU A 37 18.940 -3.335 6.056 1.00 0.00 O ATOM 128 CB LEU A 37 19.527 -0.195 5.879 1.00 0.00 C ATOM 129 CG LEU A 37 20.050 1.234 6.190 1.00 0.00 C ATOM 130 CD1 LEU A 37 21.477 1.240 6.704 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.921 2.122 4.964 1.00 0.00 C ATOM 0 H LEU A 37 21.404 -1.796 6.657 1.00 0.00 H new ATOM 0 HA LEU A 37 19.030 -0.680 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.169 -0.625 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.531 -0.099 5.446 1.00 0.00 H new ATOM 0 HG LEU A 37 19.427 1.632 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.787 2.266 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.535 0.658 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.136 0.801 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.291 3.120 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.505 1.700 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.874 2.184 4.668 1.00 0.00 H new ATOM 143 N PRO A 38 17.222 -2.295 7.094 1.00 0.00 N ATOM 144 CA PRO A 38 16.247 -3.345 6.787 1.00 0.00 C ATOM 145 C PRO A 38 16.042 -3.503 5.290 1.00 0.00 C ATOM 146 O PRO A 38 15.591 -2.572 4.604 1.00 0.00 O ATOM 147 CB PRO A 38 14.957 -2.884 7.479 1.00 0.00 C ATOM 148 CG PRO A 38 15.398 -1.859 8.474 1.00 0.00 C ATOM 149 CD PRO A 38 16.619 -1.208 7.888 1.00 0.00 C ATOM 0 HA PRO A 38 16.579 -4.323 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.254 -2.461 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.452 -3.717 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.612 -1.125 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.626 -2.321 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.361 -0.350 7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.297 -0.849 8.663 1.00 0.00 H new ATOM 157 N GLY A 39 16.434 -4.666 4.774 1.00 0.00 N ATOM 158 CA GLY A 39 16.323 -4.939 3.354 1.00 0.00 C ATOM 159 C GLY A 39 17.267 -4.078 2.558 1.00 0.00 C ATOM 160 O GLY A 39 17.053 -3.843 1.367 1.00 0.00 O ATOM 0 H GLY A 39 16.830 -5.430 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.539 -5.991 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.299 -4.760 3.026 1.00 0.00 H new ATOM 164 N GLY A 40 18.302 -3.569 3.236 1.00 0.00 N ATOM 165 CA GLY A 40 19.256 -2.682 2.617 1.00 0.00 C ATOM 166 C GLY A 40 18.648 -1.339 2.311 1.00 0.00 C ATOM 167 O GLY A 40 19.263 -0.508 1.654 1.00 0.00 O ATOM 0 H GLY A 40 18.489 -3.766 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.114 -2.552 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.628 -3.132 1.696 1.00 0.00 H new ATOM 171 N GLY A 41 17.428 -1.132 2.791 1.00 0.00 N ATOM 172 CA GLY A 41 16.705 0.071 2.488 1.00 0.00 C ATOM 173 C GLY A 41 16.123 0.045 1.077 1.00 0.00 C ATOM 174 O GLY A 41 15.500 1.007 0.632 1.00 0.00 O ATOM 0 H GLY A 41 16.929 -1.789 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.900 0.202 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.369 0.929 2.591 1.00 0.00 H new ATOM 178 N LEU A 42 16.305 -1.083 0.393 1.00 0.00 N ATOM 179 CA LEU A 42 15.912 -1.244 -0.994 1.00 0.00 C ATOM 180 C LEU A 42 14.445 -1.631 -1.121 1.00 0.00 C ATOM 181 O LEU A 42 13.884 -1.660 -2.214 1.00 0.00 O ATOM 182 CB LEU A 42 16.776 -2.322 -1.630 1.00 0.00 C ATOM 183 CG LEU A 42 18.293 -2.084 -1.618 1.00 0.00 C ATOM 184 CD1 LEU A 42 19.021 -3.250 -2.265 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.645 -0.778 -2.318 1.00 0.00 C ATOM 0 H LEU A 42 16.734 -1.916 0.796 1.00 0.00 H new ATOM 0 HA LEU A 42 16.051 -0.290 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.575 -3.264 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.459 -2.446 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 42 18.616 -2.008 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.095 -3.063 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.803 -4.165 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.689 -3.359 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.725 -0.633 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.305 -0.817 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.157 0.052 -1.807 1.00 0.00 H new ATOM 197 N HIS A 43 13.833 -1.936 -0.016 1.00 0.00 N ATOM 198 CA HIS A 43 12.447 -2.322 -0.013 1.00 0.00 C ATOM 199 C HIS A 43 11.734 -1.463 0.974 1.00 0.00 C ATOM 200 O HIS A 43 11.831 -1.691 2.173 1.00 0.00 O ATOM 201 CB HIS A 43 12.247 -3.796 0.378 1.00 0.00 C ATOM 202 CG HIS A 43 13.040 -4.794 -0.422 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.627 -5.276 -1.641 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.209 -5.436 -0.143 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.491 -6.170 -2.076 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.459 -6.283 -1.189 1.00 0.00 N ATOM 0 H HIS A 43 14.273 -1.926 0.904 1.00 0.00 H new ATOM 0 HA HIS A 43 12.055 -2.197 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.506 -3.913 1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.189 -4.039 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.822 -5.302 0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.418 -6.718 -3.004 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.265 -6.902 -1.269 1.00 0.00 H new ATOM 215 N ARG A 44 11.079 -0.449 0.503 1.00 0.00 N ATOM 216 CA ARG A 44 10.387 0.444 1.377 1.00 0.00 C ATOM 217 C ARG A 44 9.131 0.983 0.782 1.00 0.00 C ATOM 218 O ARG A 44 8.983 1.087 -0.437 1.00 0.00 O ATOM 219 CB ARG A 44 11.271 1.605 1.785 1.00 0.00 C ATOM 220 CG ARG A 44 11.875 2.378 0.623 1.00 0.00 C ATOM 221 CD ARG A 44 12.682 3.556 1.112 1.00 0.00 C ATOM 222 NE ARG A 44 13.319 4.276 0.015 1.00 0.00 N ATOM 223 CZ ARG A 44 14.104 5.348 0.150 1.00 0.00 C ATOM 224 NH1 ARG A 44 14.326 5.879 1.347 1.00 0.00 N ATOM 225 NH2 ARG A 44 14.649 5.893 -0.922 1.00 0.00 N ATOM 0 H ARG A 44 11.009 -0.218 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 44 10.121 -0.149 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.687 2.292 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.079 1.227 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.511 1.717 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.081 2.727 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.033 4.236 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.445 3.209 1.809 1.00 0.00 H new ATOM 0 HE ARG A 44 13.151 3.933 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.895 5.468 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.927 6.698 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.469 5.495 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.250 6.712 -0.828 1.00 0.00 H new ATOM 239 N CYS A 45 8.226 1.281 1.650 1.00 0.00 N ATOM 240 CA CYS A 45 7.013 1.969 1.312 1.00 0.00 C ATOM 241 C CYS A 45 7.232 3.435 1.619 1.00 0.00 C ATOM 242 O CYS A 45 7.463 3.790 2.778 1.00 0.00 O ATOM 243 CB CYS A 45 5.822 1.404 2.107 1.00 0.00 C ATOM 244 SG CYS A 45 4.254 2.350 1.941 1.00 0.00 S ATOM 0 H CYS A 45 8.305 1.050 2.640 1.00 0.00 H new ATOM 0 HA CYS A 45 6.774 1.834 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.645 0.378 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.095 1.365 3.162 1.00 0.00 H new ATOM 249 N LEU A 46 7.165 4.275 0.608 1.00 0.00 N ATOM 250 CA LEU A 46 7.428 5.706 0.763 1.00 0.00 C ATOM 251 C LEU A 46 6.405 6.353 1.671 1.00 0.00 C ATOM 252 O LEU A 46 6.735 7.227 2.481 1.00 0.00 O ATOM 253 CB LEU A 46 7.432 6.396 -0.595 1.00 0.00 C ATOM 254 CG LEU A 46 8.492 5.942 -1.579 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.339 6.676 -2.897 1.00 0.00 C ATOM 256 CD2 LEU A 46 9.896 6.134 -1.013 1.00 0.00 C ATOM 0 H LEU A 46 6.928 3.995 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 46 8.411 5.818 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.454 6.251 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.552 7.467 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 46 8.351 4.876 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.107 6.339 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.354 6.470 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.445 7.748 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.632 5.799 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.058 7.189 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.002 5.552 -0.098 1.00 0.00 H new ATOM 268 N ALA A 47 5.177 5.894 1.560 1.00 0.00 N ATOM 269 CA ALA A 47 4.075 6.414 2.354 1.00 0.00 C ATOM 270 C ALA A 47 4.255 6.130 3.852 1.00 0.00 C ATOM 271 O ALA A 47 3.704 6.841 4.695 1.00 0.00 O ATOM 272 CB ALA A 47 2.754 5.847 1.860 1.00 0.00 C ATOM 0 H ALA A 47 4.910 5.149 0.917 1.00 0.00 H new ATOM 0 HA ALA A 47 4.068 7.497 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.939 6.245 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.604 6.128 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.770 4.760 1.944 1.00 0.00 H new ATOM 278 N CYS A 48 5.029 5.099 4.186 1.00 0.00 N ATOM 279 CA CYS A 48 5.234 4.746 5.586 1.00 0.00 C ATOM 280 C CYS A 48 6.632 5.040 6.069 1.00 0.00 C ATOM 281 O CYS A 48 6.889 5.042 7.278 1.00 0.00 O ATOM 282 CB CYS A 48 4.795 3.306 5.883 1.00 0.00 C ATOM 283 SG CYS A 48 3.103 3.088 5.531 1.00 0.00 S ATOM 0 H CYS A 48 5.517 4.503 3.517 1.00 0.00 H new ATOM 0 HA CYS A 48 4.583 5.399 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.387 2.611 5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.986 3.072 6.930 1.00 0.00 H new ATOM 288 N ALA A 49 7.535 5.277 5.111 1.00 0.00 N ATOM 289 CA ALA A 49 8.931 5.647 5.362 1.00 0.00 C ATOM 290 C ALA A 49 9.713 4.541 6.073 1.00 0.00 C ATOM 291 O ALA A 49 10.836 4.757 6.524 1.00 0.00 O ATOM 292 CB ALA A 49 9.014 6.959 6.136 1.00 0.00 C ATOM 0 H ALA A 49 7.310 5.215 4.118 1.00 0.00 H new ATOM 0 HA ALA A 49 9.401 5.787 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.060 7.213 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.539 7.753 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.503 6.850 7.092 1.00 0.00 H new ATOM 298 N ARG A 50 9.149 3.360 6.135 1.00 0.00 N ATOM 299 CA ARG A 50 9.809 2.281 6.805 1.00 0.00 C ATOM 300 C ARG A 50 10.351 1.307 5.805 1.00 0.00 C ATOM 301 O ARG A 50 9.839 1.210 4.677 1.00 0.00 O ATOM 302 CB ARG A 50 8.907 1.593 7.835 1.00 0.00 C ATOM 303 CG ARG A 50 8.358 2.549 8.880 1.00 0.00 C ATOM 304 CD ARG A 50 7.822 1.833 10.109 1.00 0.00 C ATOM 305 NE ARG A 50 6.885 0.747 9.808 1.00 0.00 N ATOM 306 CZ ARG A 50 5.684 0.604 10.365 1.00 0.00 C ATOM 307 NH1 ARG A 50 5.111 1.629 11.000 1.00 0.00 N ATOM 308 NH2 ARG A 50 5.026 -0.542 10.233 1.00 0.00 N ATOM 0 H ARG A 50 8.241 3.128 5.731 1.00 0.00 H new ATOM 0 HA ARG A 50 10.643 2.700 7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.076 1.113 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.471 0.804 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.144 3.241 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.561 3.146 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.661 1.428 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.325 2.560 10.752 1.00 0.00 H new ATOM 0 HE ARG A 50 7.174 0.050 9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.593 2.526 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.191 1.515 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.441 -1.310 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.106 -0.654 10.659 1.00 0.00 H new ATOM 322 N TYR A 51 11.370 0.597 6.199 1.00 0.00 N ATOM 323 CA TYR A 51 12.049 -0.302 5.358 1.00 0.00 C ATOM 324 C TYR A 51 11.665 -1.716 5.731 1.00 0.00 C ATOM 325 O TYR A 51 11.427 -2.013 6.902 1.00 0.00 O ATOM 326 CB TYR A 51 13.532 -0.114 5.567 1.00 0.00 C ATOM 327 CG TYR A 51 14.044 1.294 5.332 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.342 1.745 4.060 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.249 2.160 6.394 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.831 3.021 3.851 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.731 3.437 6.189 1.00 0.00 C ATOM 332 CZ TYR A 51 15.019 3.859 4.920 1.00 0.00 C ATOM 333 OH TYR A 51 15.509 5.129 4.714 1.00 0.00 O ATOM 0 H TYR A 51 11.749 0.641 7.145 1.00 0.00 H new ATOM 0 HA TYR A 51 11.789 -0.120 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.779 -0.408 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.065 -0.793 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.190 1.090 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.028 1.830 7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.064 3.356 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.880 4.101 7.028 1.00 0.00 H new ATOM 0 HH TYR A 51 15.583 5.595 5.573 1.00 0.00 H new ATOM 343 N PHE A 52 11.601 -2.569 4.753 1.00 0.00 N ATOM 344 CA PHE A 52 11.206 -3.941 4.944 1.00 0.00 C ATOM 345 C PHE A 52 12.325 -4.848 4.508 1.00 0.00 C ATOM 346 O PHE A 52 13.132 -4.470 3.647 1.00 0.00 O ATOM 347 CB PHE A 52 9.936 -4.236 4.140 1.00 0.00 C ATOM 348 CG PHE A 52 8.759 -3.383 4.539 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.622 -2.099 4.043 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.803 -3.860 5.411 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.558 -1.311 4.406 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.734 -3.074 5.778 1.00 0.00 C ATOM 353 CZ PHE A 52 6.614 -1.796 5.272 1.00 0.00 C ATOM 0 H PHE A 52 11.824 -2.333 3.786 1.00 0.00 H new ATOM 0 HA PHE A 52 10.996 -4.116 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.143 -4.083 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.672 -5.286 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.363 -1.711 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.894 -4.860 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.465 -0.311 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.990 -3.457 6.461 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.776 -1.178 5.559 1.00 0.00 H new ATOM 363 N ILE A 53 12.376 -6.033 5.082 1.00 0.00 N ATOM 364 CA ILE A 53 13.428 -6.967 4.817 1.00 0.00 C ATOM 365 C ILE A 53 13.457 -7.433 3.360 1.00 0.00 C ATOM 366 O ILE A 53 14.532 -7.566 2.772 1.00 0.00 O ATOM 367 CB ILE A 53 13.384 -8.171 5.781 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.051 -8.933 5.681 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.640 -7.705 7.210 1.00 0.00 C ATOM 370 CD1 ILE A 53 11.969 -10.151 6.574 1.00 0.00 C ATOM 0 H ILE A 53 11.680 -6.368 5.748 1.00 0.00 H new ATOM 0 HA ILE A 53 14.358 -6.427 4.995 1.00 0.00 H new ATOM 0 HB ILE A 53 14.172 -8.866 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.237 -8.254 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.898 -9.242 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.607 -8.561 7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.621 -7.235 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.875 -6.985 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.999 -10.632 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.760 -10.852 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.088 -9.848 7.614 1.00 0.00 H new ATOM 382 N ASP A 54 12.298 -7.659 2.766 1.00 0.00 N ATOM 383 CA ASP A 54 12.269 -8.076 1.377 1.00 0.00 C ATOM 384 C ASP A 54 11.040 -7.493 0.707 1.00 0.00 C ATOM 385 O ASP A 54 10.227 -6.820 1.360 1.00 0.00 O ATOM 386 CB ASP A 54 12.280 -9.612 1.238 1.00 0.00 C ATOM 387 CG ASP A 54 10.916 -10.248 1.360 1.00 0.00 C ATOM 388 OD1 ASP A 54 10.182 -9.951 2.301 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.545 -11.025 0.456 1.00 0.00 O ATOM 0 H ASP A 54 11.385 -7.564 3.212 1.00 0.00 H new ATOM 0 HA ASP A 54 13.169 -7.704 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.708 -9.876 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.935 -10.031 2.002 1.00 0.00 H new ATOM 394 N SER A 55 10.899 -7.747 -0.572 1.00 0.00 N ATOM 395 CA SER A 55 9.806 -7.219 -1.343 1.00 0.00 C ATOM 396 C SER A 55 8.482 -7.887 -0.954 1.00 0.00 C ATOM 397 O SER A 55 7.445 -7.242 -0.972 1.00 0.00 O ATOM 398 CB SER A 55 10.115 -7.370 -2.848 1.00 0.00 C ATOM 399 OG SER A 55 9.073 -6.873 -3.661 1.00 0.00 O ATOM 0 H SER A 55 11.544 -8.329 -1.107 1.00 0.00 H new ATOM 0 HA SER A 55 9.692 -6.157 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.039 -6.841 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.283 -8.422 -3.079 1.00 0.00 H new ATOM 0 HG SER A 55 9.311 -6.987 -4.605 1.00 0.00 H new ATOM 405 N THR A 56 8.528 -9.159 -0.554 1.00 0.00 N ATOM 406 CA THR A 56 7.323 -9.888 -0.187 1.00 0.00 C ATOM 407 C THR A 56 6.679 -9.258 1.044 1.00 0.00 C ATOM 408 O THR A 56 5.473 -9.015 1.069 1.00 0.00 O ATOM 409 CB THR A 56 7.641 -11.346 0.111 1.00 0.00 C ATOM 410 OG1 THR A 56 8.431 -11.882 -0.960 1.00 0.00 O ATOM 411 CG2 THR A 56 6.370 -12.171 0.271 1.00 0.00 C ATOM 0 H THR A 56 9.388 -9.701 -0.478 1.00 0.00 H new ATOM 0 HA THR A 56 6.633 -9.838 -1.029 1.00 0.00 H new ATOM 0 HB THR A 56 8.193 -11.394 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.382 -11.749 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.633 -13.207 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.778 -11.771 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.788 -12.125 -0.650 1.00 0.00 H new ATOM 419 N ASN A 57 7.494 -8.981 2.058 1.00 0.00 N ATOM 420 CA ASN A 57 7.037 -8.342 3.265 1.00 0.00 C ATOM 421 C ASN A 57 6.518 -6.953 2.992 1.00 0.00 C ATOM 422 O ASN A 57 5.488 -6.547 3.536 1.00 0.00 O ATOM 423 CB ASN A 57 8.142 -8.339 4.313 1.00 0.00 C ATOM 424 CG ASN A 57 8.260 -9.652 5.069 1.00 0.00 C ATOM 425 OD1 ASN A 57 7.628 -9.841 6.110 1.00 0.00 O ATOM 426 ND2 ASN A 57 9.051 -10.556 4.570 1.00 0.00 N ATOM 0 H ASN A 57 8.491 -9.198 2.055 1.00 0.00 H new ATOM 0 HA ASN A 57 6.200 -8.917 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.093 -8.121 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.956 -7.534 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.162 -11.453 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.560 -10.368 3.706 1.00 0.00 H new ATOM 433 N LEU A 58 7.204 -6.246 2.127 1.00 0.00 N ATOM 434 CA LEU A 58 6.788 -4.930 1.716 1.00 0.00 C ATOM 435 C LEU A 58 5.431 -4.987 0.990 1.00 0.00 C ATOM 436 O LEU A 58 4.510 -4.248 1.318 1.00 0.00 O ATOM 437 CB LEU A 58 7.928 -4.262 0.891 1.00 0.00 C ATOM 438 CG LEU A 58 7.648 -2.939 0.172 1.00 0.00 C ATOM 439 CD1 LEU A 58 6.967 -3.161 -1.149 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.857 -1.995 1.056 1.00 0.00 C ATOM 0 H LEU A 58 8.067 -6.568 1.689 1.00 0.00 H new ATOM 0 HA LEU A 58 6.618 -4.295 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.769 -4.099 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.256 -4.981 0.140 1.00 0.00 H new ATOM 0 HG LEU A 58 8.608 -2.468 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.784 -2.200 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.604 -3.772 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.018 -3.672 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.672 -1.064 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.905 -2.456 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.424 -1.786 1.963 1.00 0.00 H new ATOM 452 N LYS A 59 5.325 -5.851 0.029 1.00 0.00 N ATOM 453 CA LYS A 59 4.055 -6.044 -0.688 1.00 0.00 C ATOM 454 C LYS A 59 2.926 -6.561 0.229 1.00 0.00 C ATOM 455 O LYS A 59 1.770 -6.175 0.064 1.00 0.00 O ATOM 456 CB LYS A 59 4.218 -6.900 -1.945 1.00 0.00 C ATOM 457 CG LYS A 59 5.111 -6.252 -2.988 1.00 0.00 C ATOM 458 CD LYS A 59 5.210 -7.077 -4.255 1.00 0.00 C ATOM 459 CE LYS A 59 6.108 -6.388 -5.268 1.00 0.00 C ATOM 460 NZ LYS A 59 6.216 -7.140 -6.534 1.00 0.00 N ATOM 0 H LYS A 59 6.089 -6.445 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 59 3.746 -5.054 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.635 -7.868 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.237 -7.088 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.723 -5.263 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.108 -6.110 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.605 -8.066 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.217 -7.223 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.719 -5.391 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.102 -6.260 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.839 -6.628 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.612 -8.083 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.272 -7.240 -6.960 1.00 0.00 H new ATOM 474 N THR A 60 3.269 -7.402 1.208 1.00 0.00 N ATOM 475 CA THR A 60 2.299 -7.873 2.208 1.00 0.00 C ATOM 476 C THR A 60 1.752 -6.669 3.001 1.00 0.00 C ATOM 477 O THR A 60 0.605 -6.652 3.455 1.00 0.00 O ATOM 478 CB THR A 60 2.939 -8.897 3.172 1.00 0.00 C ATOM 479 OG1 THR A 60 3.427 -10.043 2.433 1.00 0.00 O ATOM 480 CG2 THR A 60 1.954 -9.366 4.240 1.00 0.00 C ATOM 0 H THR A 60 4.211 -7.773 1.332 1.00 0.00 H new ATOM 0 HA THR A 60 1.481 -8.371 1.687 1.00 0.00 H new ATOM 0 HB THR A 60 3.769 -8.397 3.671 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.163 -9.766 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.444 -10.085 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.618 -8.510 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.096 -9.838 3.761 1.00 0.00 H new ATOM 488 N HIS A 61 2.588 -5.671 3.130 1.00 0.00 N ATOM 489 CA HIS A 61 2.249 -4.440 3.786 1.00 0.00 C ATOM 490 C HIS A 61 1.154 -3.649 3.034 1.00 0.00 C ATOM 491 O HIS A 61 0.386 -2.924 3.652 1.00 0.00 O ATOM 492 CB HIS A 61 3.524 -3.593 4.050 1.00 0.00 C ATOM 493 CG HIS A 61 3.255 -2.152 4.324 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.629 -1.697 5.449 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.440 -1.071 3.540 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.434 -0.417 5.328 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.913 -0.022 4.206 1.00 0.00 N ATOM 0 H HIS A 61 3.543 -5.695 2.773 1.00 0.00 H new ATOM 0 HA HIS A 61 1.813 -4.689 4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.060 -4.019 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.183 -3.670 3.185 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.359 -2.266 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.916 -1.049 2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.946 0.213 6.057 1.00 0.00 H new ATOM 505 N PHE A 62 1.067 -3.791 1.721 1.00 0.00 N ATOM 506 CA PHE A 62 0.058 -3.029 0.990 1.00 0.00 C ATOM 507 C PHE A 62 -1.231 -3.831 0.881 1.00 0.00 C ATOM 508 O PHE A 62 -2.117 -3.493 0.115 1.00 0.00 O ATOM 509 CB PHE A 62 0.503 -2.632 -0.413 1.00 0.00 C ATOM 510 CG PHE A 62 1.847 -2.021 -0.521 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.179 -0.871 0.174 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.780 -2.598 -1.335 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.438 -0.324 0.056 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.022 -2.067 -1.466 1.00 0.00 C ATOM 515 CZ PHE A 62 4.374 -0.931 -0.774 1.00 0.00 C ATOM 0 H PHE A 62 1.656 -4.401 1.154 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.100 -2.114 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.478 -3.520 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.226 -1.931 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.447 -0.400 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.525 -3.492 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.696 0.570 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.740 -2.540 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.366 -0.516 -0.874 1.00 0.00 H new ATOM 525 N ARG A 63 -1.342 -4.888 1.663 1.00 0.00 N ATOM 526 CA ARG A 63 -2.562 -5.683 1.674 1.00 0.00 C ATOM 527 C ARG A 63 -3.687 -4.988 2.444 1.00 0.00 C ATOM 528 O ARG A 63 -4.783 -5.537 2.605 1.00 0.00 O ATOM 529 CB ARG A 63 -2.309 -7.101 2.185 1.00 0.00 C ATOM 530 CG ARG A 63 -1.446 -7.980 1.261 1.00 0.00 C ATOM 531 CD ARG A 63 -2.155 -8.334 -0.061 1.00 0.00 C ATOM 532 NE ARG A 63 -2.418 -7.161 -0.908 1.00 0.00 N ATOM 533 CZ ARG A 63 -3.319 -7.102 -1.895 1.00 0.00 C ATOM 534 NH1 ARG A 63 -4.084 -8.160 -2.184 1.00 0.00 N ATOM 535 NH2 ARG A 63 -3.453 -5.978 -2.583 1.00 0.00 N ATOM 0 H ARG A 63 -0.611 -5.216 2.295 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.896 -5.773 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.825 -7.039 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.270 -7.593 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.514 -7.460 1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.182 -8.899 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.542 -9.045 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.098 -8.832 0.162 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.867 -6.322 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.984 -9.023 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.768 -8.104 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.873 -5.170 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.137 -5.921 -3.338 1.00 0.00 H new ATOM 549 N SER A 64 -3.406 -3.799 2.914 1.00 0.00 N ATOM 550 CA SER A 64 -4.380 -2.962 3.521 1.00 0.00 C ATOM 551 C SER A 64 -4.997 -2.064 2.435 1.00 0.00 C ATOM 552 O SER A 64 -4.338 -1.151 1.899 1.00 0.00 O ATOM 553 CB SER A 64 -3.726 -2.154 4.655 1.00 0.00 C ATOM 554 OG SER A 64 -2.521 -1.527 4.212 1.00 0.00 O ATOM 0 H SER A 64 -2.473 -3.388 2.879 1.00 0.00 H new ATOM 0 HA SER A 64 -5.182 -3.549 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.423 -1.397 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.509 -2.812 5.496 1.00 0.00 H new ATOM 0 HG SER A 64 -2.126 -1.019 4.951 1.00 0.00 H new ATOM 560 N LYS A 65 -6.251 -2.344 2.100 1.00 0.00 N ATOM 561 CA LYS A 65 -6.962 -1.647 1.027 1.00 0.00 C ATOM 562 C LYS A 65 -7.044 -0.144 1.261 1.00 0.00 C ATOM 563 O LYS A 65 -6.920 0.647 0.319 1.00 0.00 O ATOM 564 CB LYS A 65 -8.351 -2.285 0.776 1.00 0.00 C ATOM 565 CG LYS A 65 -9.246 -2.409 2.015 1.00 0.00 C ATOM 566 CD LYS A 65 -10.534 -3.187 1.716 1.00 0.00 C ATOM 567 CE LYS A 65 -11.478 -2.455 0.766 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.034 -1.230 1.374 1.00 0.00 N ATOM 0 H LYS A 65 -6.807 -3.062 2.564 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.377 -1.771 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.875 -1.692 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.205 -3.278 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.696 -2.910 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.500 -1.414 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.274 -4.154 1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.055 -3.386 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.943 -2.196 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.293 -3.120 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.746 -0.819 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.479 -1.465 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.270 -0.542 1.530 1.00 0.00 H new ATOM 582 N ASP A 66 -7.185 0.234 2.521 1.00 0.00 N ATOM 583 CA ASP A 66 -7.270 1.607 2.948 1.00 0.00 C ATOM 584 C ASP A 66 -5.989 2.364 2.683 1.00 0.00 C ATOM 585 O ASP A 66 -6.000 3.580 2.487 1.00 0.00 O ATOM 586 CB ASP A 66 -7.606 1.674 4.425 1.00 0.00 C ATOM 587 CG ASP A 66 -9.012 1.255 4.739 1.00 0.00 C ATOM 588 OD1 ASP A 66 -9.256 0.051 4.962 1.00 0.00 O ATOM 589 OD2 ASP A 66 -9.898 2.127 4.779 1.00 0.00 O ATOM 0 H ASP A 66 -7.244 -0.431 3.292 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.062 2.079 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.914 1.037 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.452 2.693 4.779 1.00 0.00 H new ATOM 594 N HIS A 67 -4.888 1.669 2.715 1.00 0.00 N ATOM 595 CA HIS A 67 -3.594 2.297 2.543 1.00 0.00 C ATOM 596 C HIS A 67 -3.399 2.721 1.141 1.00 0.00 C ATOM 597 O HIS A 67 -3.144 3.877 0.873 1.00 0.00 O ATOM 598 CB HIS A 67 -2.487 1.351 2.935 1.00 0.00 C ATOM 599 CG HIS A 67 -1.143 1.891 2.894 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.883 3.178 3.290 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.012 1.249 2.854 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.360 3.288 3.541 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.933 2.152 3.302 1.00 0.00 N ATOM 0 H HIS A 67 -4.853 0.660 2.859 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.563 3.174 3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.683 0.994 3.946 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.528 0.483 2.277 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.573 3.925 3.370 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.153 0.229 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.854 4.181 3.895 1.00 0.00 H new ATOM 611 N LYS A 68 -3.523 1.794 0.257 1.00 0.00 N ATOM 612 CA LYS A 68 -3.323 2.058 -1.131 1.00 0.00 C ATOM 613 C LYS A 68 -4.386 3.034 -1.630 1.00 0.00 C ATOM 614 O LYS A 68 -4.154 3.807 -2.557 1.00 0.00 O ATOM 615 CB LYS A 68 -3.314 0.774 -1.887 1.00 0.00 C ATOM 616 CG LYS A 68 -2.242 -0.228 -1.404 1.00 0.00 C ATOM 617 CD LYS A 68 -2.321 -1.510 -2.253 1.00 0.00 C ATOM 618 CE LYS A 68 -2.197 -1.233 -3.748 1.00 0.00 C ATOM 619 NZ LYS A 68 -2.300 -2.463 -4.562 1.00 0.00 N ATOM 0 H LYS A 68 -3.767 0.827 0.473 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.355 2.533 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.296 0.308 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.149 0.987 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.250 0.216 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.398 -0.465 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.529 -2.193 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.268 -2.013 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.977 -0.534 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.241 -0.749 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.210 -2.221 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.540 -3.121 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.223 -2.913 -4.396 1.00 0.00 H new ATOM 633 N LYS A 69 -5.551 2.988 -0.984 1.00 0.00 N ATOM 634 CA LYS A 69 -6.601 3.971 -1.179 1.00 0.00 C ATOM 635 C LYS A 69 -6.055 5.375 -0.942 1.00 0.00 C ATOM 636 O LYS A 69 -6.261 6.274 -1.760 1.00 0.00 O ATOM 637 CB LYS A 69 -7.722 3.723 -0.179 1.00 0.00 C ATOM 638 CG LYS A 69 -8.716 4.859 -0.072 1.00 0.00 C ATOM 639 CD LYS A 69 -9.691 4.623 1.066 1.00 0.00 C ATOM 640 CE LYS A 69 -10.621 5.806 1.266 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.524 5.594 2.417 1.00 0.00 N ATOM 0 H LYS A 69 -5.788 2.261 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.973 3.884 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.254 2.815 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.285 3.543 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.185 5.798 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.263 4.958 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.279 3.729 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.137 4.436 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.033 6.710 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.211 5.964 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.146 6.420 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.101 4.745 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.960 5.468 3.282 1.00 0.00 H new ATOM 655 N ARG A 70 -5.334 5.549 0.177 1.00 0.00 N ATOM 656 CA ARG A 70 -4.813 6.853 0.550 1.00 0.00 C ATOM 657 C ARG A 70 -3.825 7.349 -0.509 1.00 0.00 C ATOM 658 O ARG A 70 -3.769 8.546 -0.827 1.00 0.00 O ATOM 659 CB ARG A 70 -4.141 6.787 1.925 1.00 0.00 C ATOM 660 CG ARG A 70 -3.701 8.137 2.457 1.00 0.00 C ATOM 661 CD ARG A 70 -4.894 9.058 2.606 1.00 0.00 C ATOM 662 NE ARG A 70 -4.531 10.382 3.078 1.00 0.00 N ATOM 663 CZ ARG A 70 -5.402 11.375 3.251 1.00 0.00 C ATOM 664 NH1 ARG A 70 -6.696 11.181 2.972 1.00 0.00 N ATOM 665 NH2 ARG A 70 -4.986 12.558 3.692 1.00 0.00 N ATOM 0 H ARG A 70 -5.105 4.800 0.830 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.642 7.558 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.833 6.335 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.273 6.131 1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.207 8.012 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.972 8.582 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.400 9.147 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.606 8.613 3.301 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.550 10.563 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.013 10.275 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.365 11.939 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.998 12.707 3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.655 13.317 3.824 1.00 0.00 H new ATOM 679 N LEU A 71 -3.094 6.411 -1.081 1.00 0.00 N ATOM 680 CA LEU A 71 -2.136 6.692 -2.113 1.00 0.00 C ATOM 681 C LEU A 71 -2.816 7.164 -3.380 1.00 0.00 C ATOM 682 O LEU A 71 -2.305 8.015 -4.084 1.00 0.00 O ATOM 683 CB LEU A 71 -1.254 5.470 -2.381 1.00 0.00 C ATOM 684 CG LEU A 71 -0.058 5.245 -1.437 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.474 5.037 0.005 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.812 4.101 -1.921 1.00 0.00 C ATOM 0 H LEU A 71 -3.156 5.423 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.495 7.502 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.886 4.583 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.871 5.546 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 71 0.530 6.163 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.412 4.884 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.014 5.916 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.120 4.162 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.648 3.965 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.221 3.186 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.192 4.329 -2.917 1.00 0.00 H new ATOM 698 N LYS A 72 -3.970 6.612 -3.655 1.00 0.00 N ATOM 699 CA LYS A 72 -4.764 7.018 -4.807 1.00 0.00 C ATOM 700 C LYS A 72 -5.442 8.364 -4.580 1.00 0.00 C ATOM 701 O LYS A 72 -5.736 9.088 -5.537 1.00 0.00 O ATOM 702 CB LYS A 72 -5.772 5.961 -5.208 1.00 0.00 C ATOM 703 CG LYS A 72 -5.135 4.652 -5.630 1.00 0.00 C ATOM 704 CD LYS A 72 -6.169 3.660 -6.117 1.00 0.00 C ATOM 705 CE LYS A 72 -7.190 3.328 -5.043 1.00 0.00 C ATOM 706 NZ LYS A 72 -8.178 2.353 -5.525 1.00 0.00 N ATOM 0 H LYS A 72 -4.392 5.871 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.068 7.133 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.446 5.776 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.380 6.342 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.408 4.839 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.588 4.225 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.680 4.068 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.671 2.745 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.681 2.929 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.699 4.239 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.861 2.148 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.680 2.745 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.693 1.475 -5.801 1.00 0.00 H new ATOM 720 N GLN A 73 -5.719 8.685 -3.315 1.00 0.00 N ATOM 721 CA GLN A 73 -6.293 9.987 -2.976 1.00 0.00 C ATOM 722 C GLN A 73 -5.261 11.075 -3.229 1.00 0.00 C ATOM 723 O GLN A 73 -5.585 12.153 -3.711 1.00 0.00 O ATOM 724 CB GLN A 73 -6.763 10.056 -1.520 1.00 0.00 C ATOM 725 CG GLN A 73 -7.824 9.042 -1.140 1.00 0.00 C ATOM 726 CD GLN A 73 -8.321 9.254 0.272 1.00 0.00 C ATOM 727 OE1 GLN A 73 -7.769 8.716 1.228 1.00 0.00 O ATOM 728 NE2 GLN A 73 -9.372 10.020 0.414 1.00 0.00 N ATOM 0 H GLN A 73 -5.558 8.070 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.168 10.135 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.900 9.918 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.152 11.056 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.661 9.113 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.416 8.036 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.804 10.450 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.760 10.187 1.343 1.00 0.00 H new ATOM 737 N LEU A 74 -4.014 10.777 -2.887 1.00 0.00 N ATOM 738 CA LEU A 74 -2.899 11.672 -3.157 1.00 0.00 C ATOM 739 C LEU A 74 -2.593 11.607 -4.658 1.00 0.00 C ATOM 740 O LEU A 74 -2.176 12.586 -5.274 1.00 0.00 O ATOM 741 CB LEU A 74 -1.699 11.237 -2.285 1.00 0.00 C ATOM 742 CG LEU A 74 -0.402 12.098 -2.272 1.00 0.00 C ATOM 743 CD1 LEU A 74 0.491 11.642 -1.135 1.00 0.00 C ATOM 744 CD2 LEU A 74 0.382 11.973 -3.578 1.00 0.00 C ATOM 0 H LEU A 74 -3.749 9.912 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.130 12.707 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.053 11.166 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.419 10.231 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.701 13.139 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.400 12.243 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.036 11.762 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.751 10.593 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.279 12.590 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.666 10.932 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.239 12.307 -4.409 1.00 0.00 H new ATOM 756 N SER A 75 -2.855 10.436 -5.208 1.00 0.00 N ATOM 757 CA SER A 75 -2.693 10.099 -6.604 1.00 0.00 C ATOM 758 C SER A 75 -1.218 9.990 -6.954 1.00 0.00 C ATOM 759 O SER A 75 -0.572 10.967 -7.348 1.00 0.00 O ATOM 760 CB SER A 75 -3.461 11.073 -7.533 1.00 0.00 C ATOM 761 OG SER A 75 -3.513 10.618 -8.884 1.00 0.00 O ATOM 0 H SER A 75 -3.206 9.652 -4.658 1.00 0.00 H new ATOM 0 HA SER A 75 -3.142 9.120 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.476 11.202 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.983 12.052 -7.502 1.00 0.00 H new ATOM 0 HG SER A 75 -2.609 10.395 -9.189 1.00 0.00 H new ATOM 767 N VAL A 76 -0.675 8.809 -6.745 1.00 0.00 N ATOM 768 CA VAL A 76 0.688 8.539 -7.029 1.00 0.00 C ATOM 769 C VAL A 76 0.920 8.416 -8.533 1.00 0.00 C ATOM 770 O VAL A 76 1.943 8.881 -9.061 1.00 0.00 O ATOM 771 CB VAL A 76 1.203 7.317 -6.243 1.00 0.00 C ATOM 772 CG1 VAL A 76 1.355 7.667 -4.773 1.00 0.00 C ATOM 773 CG2 VAL A 76 0.258 6.137 -6.364 1.00 0.00 C ATOM 0 H VAL A 76 -1.187 8.011 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 76 1.279 9.389 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 76 2.168 7.041 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.719 6.796 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.066 8.486 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.389 7.970 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.654 5.294 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.720 6.412 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.160 5.855 -7.412 1.00 0.00 H new ATOM 783 N GLU A 77 -0.033 7.816 -9.218 1.00 0.00 N ATOM 784 CA GLU A 77 -0.025 7.809 -10.666 1.00 0.00 C ATOM 785 C GLU A 77 -0.668 9.107 -11.134 1.00 0.00 C ATOM 786 O GLU A 77 -1.441 9.712 -10.378 1.00 0.00 O ATOM 787 CB GLU A 77 -0.832 6.629 -11.284 1.00 0.00 C ATOM 788 CG GLU A 77 -0.309 5.212 -11.051 1.00 0.00 C ATOM 789 CD GLU A 77 -0.415 4.746 -9.632 1.00 0.00 C ATOM 790 OE1 GLU A 77 -1.558 4.595 -9.139 1.00 0.00 O ATOM 791 OE2 GLU A 77 0.628 4.476 -9.004 1.00 0.00 O ATOM 0 H GLU A 77 -0.822 7.327 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 77 1.010 7.700 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.849 6.679 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.893 6.791 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.861 4.523 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.735 5.166 -11.360 1.00 0.00 H new ATOM 798 N PRO A 78 -0.344 9.588 -12.335 1.00 0.00 N ATOM 799 CA PRO A 78 -1.017 10.749 -12.905 1.00 0.00 C ATOM 800 C PRO A 78 -2.483 10.413 -13.206 1.00 0.00 C ATOM 801 O PRO A 78 -2.776 9.384 -13.857 1.00 0.00 O ATOM 802 CB PRO A 78 -0.252 11.022 -14.212 1.00 0.00 C ATOM 803 CG PRO A 78 1.019 10.259 -14.086 1.00 0.00 C ATOM 804 CD PRO A 78 0.707 9.076 -13.223 1.00 0.00 C ATOM 0 HA PRO A 78 -1.020 11.608 -12.234 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.824 10.693 -15.079 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.061 12.087 -14.341 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.383 9.943 -15.064 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.800 10.873 -13.638 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.361 8.226 -13.811 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.581 8.742 -12.664 1.00 0.00 H new ATOM 812 N TYR A 79 -3.385 11.278 -12.728 1.00 0.00 N ATOM 813 CA TYR A 79 -4.840 11.129 -12.879 1.00 0.00 C ATOM 814 C TYR A 79 -5.398 9.939 -12.096 1.00 0.00 C ATOM 815 O TYR A 79 -4.654 9.097 -11.571 1.00 0.00 O ATOM 816 CB TYR A 79 -5.270 11.044 -14.352 1.00 0.00 C ATOM 817 CG TYR A 79 -4.931 12.265 -15.166 1.00 0.00 C ATOM 818 CD1 TYR A 79 -5.763 13.373 -15.167 1.00 0.00 C ATOM 819 CD2 TYR A 79 -3.782 12.305 -15.942 1.00 0.00 C ATOM 820 CE1 TYR A 79 -5.459 14.486 -15.916 1.00 0.00 C ATOM 821 CE2 TYR A 79 -3.470 13.412 -16.689 1.00 0.00 C ATOM 822 CZ TYR A 79 -4.312 14.501 -16.674 1.00 0.00 C ATOM 823 OH TYR A 79 -4.006 15.610 -17.428 1.00 0.00 O ATOM 0 H TYR A 79 -3.120 12.119 -12.215 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.268 12.036 -12.453 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.796 10.174 -14.807 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.347 10.880 -14.396 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.664 13.363 -14.571 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.122 11.450 -15.958 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.117 15.342 -15.909 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.570 13.429 -17.285 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.162 15.460 -17.904 1.00 0.00 H new ATOM 833 N SER A 80 -6.705 9.875 -12.004 1.00 0.00 N ATOM 834 CA SER A 80 -7.344 8.822 -11.346 1.00 0.00 C ATOM 835 C SER A 80 -7.607 7.686 -12.338 1.00 0.00 C ATOM 836 O SER A 80 -7.291 7.793 -13.539 1.00 0.00 O ATOM 837 CB SER A 80 -8.627 9.326 -10.685 1.00 0.00 C ATOM 838 OG SER A 80 -8.336 10.366 -9.741 1.00 0.00 O ATOM 0 H SER A 80 -7.338 10.572 -12.396 1.00 0.00 H new ATOM 0 HA SER A 80 -6.706 8.428 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.311 9.700 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.131 8.501 -10.181 1.00 0.00 H new ATOM 0 HG SER A 80 -9.169 10.677 -9.330 1.00 0.00 H new ATOM 844 N GLN A 81 -8.195 6.645 -11.843 1.00 0.00 N ATOM 845 CA GLN A 81 -8.406 5.403 -12.587 1.00 0.00 C ATOM 846 C GLN A 81 -9.247 5.580 -13.820 1.00 0.00 C ATOM 847 O GLN A 81 -8.943 5.038 -14.877 1.00 0.00 O ATOM 848 CB GLN A 81 -8.840 4.248 -11.638 1.00 0.00 C ATOM 849 CG GLN A 81 -9.125 2.867 -12.266 1.00 0.00 C ATOM 850 CD GLN A 81 -10.533 2.710 -12.844 1.00 0.00 C ATOM 851 OE1 GLN A 81 -11.451 2.304 -12.130 1.00 0.00 O ATOM 852 NE2 GLN A 81 -10.717 2.988 -14.102 1.00 0.00 N ATOM 0 H GLN A 81 -8.557 6.614 -10.890 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.446 5.092 -12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.059 4.120 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.739 4.568 -11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.399 2.686 -13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.969 2.099 -11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.938 3.323 -14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.640 2.871 -14.520 1.00 0.00 H new ATOM 861 N GLU A 82 -10.223 6.367 -13.702 1.00 0.00 N ATOM 862 CA GLU A 82 -11.119 6.654 -14.797 1.00 0.00 C ATOM 863 C GLU A 82 -10.583 7.836 -15.585 1.00 0.00 C ATOM 864 O GLU A 82 -11.099 8.965 -15.525 1.00 0.00 O ATOM 865 CB GLU A 82 -12.590 6.830 -14.353 1.00 0.00 C ATOM 866 CG GLU A 82 -13.580 7.098 -15.496 1.00 0.00 C ATOM 867 CD GLU A 82 -13.539 6.038 -16.582 1.00 0.00 C ATOM 868 OE1 GLU A 82 -12.753 6.190 -17.533 1.00 0.00 O ATOM 869 OE2 GLU A 82 -14.287 5.027 -16.495 1.00 0.00 O ATOM 0 H GLU A 82 -10.453 6.856 -12.837 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.147 5.786 -15.456 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.904 5.932 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.644 7.655 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.589 7.153 -15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.361 8.070 -15.937 1.00 0.00 H new ATOM 876 N GLU A 83 -9.460 7.559 -16.195 1.00 0.00 N ATOM 877 CA GLU A 83 -8.692 8.459 -17.050 1.00 0.00 C ATOM 878 C GLU A 83 -7.385 7.759 -17.372 1.00 0.00 C ATOM 879 O GLU A 83 -6.903 7.779 -18.504 1.00 0.00 O ATOM 880 CB GLU A 83 -8.396 9.795 -16.336 1.00 0.00 C ATOM 881 CG GLU A 83 -7.614 10.811 -17.159 1.00 0.00 C ATOM 882 CD GLU A 83 -8.307 11.199 -18.440 1.00 0.00 C ATOM 883 OE1 GLU A 83 -9.364 11.851 -18.381 1.00 0.00 O ATOM 884 OE2 GLU A 83 -7.781 10.904 -19.525 1.00 0.00 O ATOM 0 H GLU A 83 -9.020 6.643 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.260 8.688 -17.951 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.342 10.245 -16.036 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.839 9.585 -15.423 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.449 11.705 -16.558 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.633 10.399 -17.395 1.00 0.00 H new ATOM 891 N ALA A 84 -6.822 7.124 -16.364 1.00 0.00 N ATOM 892 CA ALA A 84 -5.590 6.397 -16.512 1.00 0.00 C ATOM 893 C ALA A 84 -5.608 5.115 -15.692 1.00 0.00 C ATOM 894 O ALA A 84 -5.498 5.148 -14.452 1.00 0.00 O ATOM 895 CB ALA A 84 -4.411 7.264 -16.105 1.00 0.00 C ATOM 0 H ALA A 84 -7.211 7.101 -15.421 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.483 6.127 -17.563 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.486 6.699 -16.223 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.377 8.152 -16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.523 7.564 -15.063 1.00 0.00 H new ATOM 901 N GLU A 85 -5.796 3.998 -16.360 1.00 0.00 N ATOM 902 CA GLU A 85 -5.719 2.716 -15.701 1.00 0.00 C ATOM 903 C GLU A 85 -4.326 2.167 -15.860 1.00 0.00 C ATOM 904 O GLU A 85 -3.560 2.067 -14.889 1.00 0.00 O ATOM 905 CB GLU A 85 -6.701 1.707 -16.285 1.00 0.00 C ATOM 906 CG GLU A 85 -8.153 2.050 -16.150 1.00 0.00 C ATOM 907 CD GLU A 85 -9.015 0.940 -16.672 1.00 0.00 C ATOM 908 OE1 GLU A 85 -9.227 -0.044 -15.945 1.00 0.00 O ATOM 909 OE2 GLU A 85 -9.470 1.015 -17.824 1.00 0.00 O ATOM 0 H GLU A 85 -6.003 3.953 -17.358 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.972 2.870 -14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.475 1.581 -17.344 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.530 0.743 -15.805 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.390 2.239 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.366 2.969 -16.696 1.00 0.00 H new ATOM 916 N ARG A 86 -4.014 1.838 -17.110 1.00 0.00 N ATOM 917 CA ARG A 86 -2.751 1.282 -17.533 1.00 0.00 C ATOM 918 C ARG A 86 -2.503 -0.086 -16.883 1.00 0.00 C ATOM 919 O ARG A 86 -1.669 -0.220 -15.987 1.00 0.00 O ATOM 920 CB ARG A 86 -1.573 2.253 -17.281 1.00 0.00 C ATOM 921 CG ARG A 86 -0.255 1.816 -17.904 1.00 0.00 C ATOM 922 CD ARG A 86 -0.362 1.794 -19.420 1.00 0.00 C ATOM 923 NE ARG A 86 -0.682 3.125 -19.948 1.00 0.00 N ATOM 924 CZ ARG A 86 -1.299 3.374 -21.104 1.00 0.00 C ATOM 925 NH1 ARG A 86 -1.693 2.374 -21.890 1.00 0.00 N ATOM 926 NH2 ARG A 86 -1.525 4.627 -21.472 1.00 0.00 N ATOM 0 H ARG A 86 -4.669 1.960 -17.882 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.810 1.133 -18.611 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.838 3.235 -17.672 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.433 2.365 -16.206 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.541 2.496 -17.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.016 0.825 -17.539 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.578 1.446 -19.849 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.132 1.085 -19.723 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.409 3.929 -19.383 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.524 1.408 -21.610 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.164 2.574 -22.772 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.227 5.396 -20.872 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.996 4.822 -22.355 1.00 0.00 H new ATOM 940 N ALA A 87 -3.282 -1.076 -17.298 1.00 0.00 N ATOM 941 CA ALA A 87 -3.143 -2.447 -16.814 1.00 0.00 C ATOM 942 C ALA A 87 -3.982 -3.415 -17.646 1.00 0.00 C ATOM 943 O ALA A 87 -3.477 -3.994 -18.618 1.00 0.00 O ATOM 944 CB ALA A 87 -3.482 -2.577 -15.317 1.00 0.00 C ATOM 0 H ALA A 87 -4.030 -0.953 -17.981 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.093 -2.715 -16.930 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.363 -3.615 -15.006 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.811 -1.945 -14.736 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.512 -2.263 -15.149 1.00 0.00 H new ATOM 950 N ALA A 88 -5.265 -3.547 -17.272 1.00 0.00 N ATOM 951 CA ALA A 88 -6.246 -4.432 -17.911 1.00 0.00 C ATOM 952 C ALA A 88 -7.469 -4.502 -17.024 1.00 0.00 C ATOM 953 O ALA A 88 -7.481 -5.227 -16.030 1.00 0.00 O ATOM 954 CB ALA A 88 -5.704 -5.855 -18.125 1.00 0.00 C ATOM 0 H ALA A 88 -5.658 -3.022 -16.491 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.482 -4.022 -18.893 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.469 -6.468 -18.601 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.822 -5.816 -18.764 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.436 -6.291 -17.163 1.00 0.00 H new ATOM 960 N GLY A 89 -8.457 -3.714 -17.334 1.00 0.00 N ATOM 961 CA GLY A 89 -9.656 -3.714 -16.545 1.00 0.00 C ATOM 962 C GLY A 89 -10.821 -4.229 -17.331 1.00 0.00 C ATOM 963 O GLY A 89 -10.808 -5.376 -17.805 1.00 0.00 O ATOM 0 H GLY A 89 -8.458 -3.067 -18.122 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.511 -4.331 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.866 -2.702 -16.198 1.00 0.00 H new ATOM 967 N MET A 90 -11.811 -3.401 -17.503 1.00 0.00 N ATOM 968 CA MET A 90 -12.978 -3.777 -18.242 1.00 0.00 C ATOM 969 C MET A 90 -12.744 -3.555 -19.723 1.00 0.00 C ATOM 970 O MET A 90 -12.864 -2.433 -20.229 1.00 0.00 O ATOM 971 CB MET A 90 -14.223 -3.020 -17.747 1.00 0.00 C ATOM 972 CG MET A 90 -14.571 -3.312 -16.289 1.00 0.00 C ATOM 973 SD MET A 90 -16.045 -2.440 -15.704 1.00 0.00 S ATOM 974 CE MET A 90 -17.303 -3.122 -16.790 1.00 0.00 C ATOM 0 H MET A 90 -11.831 -2.450 -17.136 1.00 0.00 H new ATOM 0 HA MET A 90 -13.167 -4.838 -18.078 1.00 0.00 H new ATOM 0 HB2 MET A 90 -14.059 -1.949 -17.866 1.00 0.00 H new ATOM 0 HB3 MET A 90 -15.073 -3.284 -18.376 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.723 -4.385 -16.169 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.724 -3.037 -15.660 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.289 -2.940 -16.363 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.237 -2.645 -17.768 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.147 -4.195 -16.899 1.00 0.00 H new ATOM 984 N GLY A 91 -12.348 -4.613 -20.398 1.00 0.00 N ATOM 985 CA GLY A 91 -12.087 -4.544 -21.815 1.00 0.00 C ATOM 986 C GLY A 91 -13.262 -5.040 -22.606 1.00 0.00 C ATOM 987 O GLY A 91 -13.440 -4.664 -23.762 1.00 0.00 O ATOM 0 H GLY A 91 -12.200 -5.533 -19.984 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.863 -3.515 -22.097 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.206 -5.139 -22.055 1.00 0.00 H new ATOM 991 N SER A 92 -14.068 -5.883 -21.953 1.00 0.00 N ATOM 992 CA SER A 92 -15.285 -6.468 -22.508 1.00 0.00 C ATOM 993 C SER A 92 -15.007 -7.470 -23.634 1.00 0.00 C ATOM 994 O SER A 92 -14.264 -7.193 -24.581 1.00 0.00 O ATOM 995 CB SER A 92 -16.243 -5.373 -22.969 1.00 0.00 C ATOM 996 OG SER A 92 -16.487 -4.449 -21.902 1.00 0.00 O ATOM 0 H SER A 92 -13.883 -6.184 -20.996 1.00 0.00 H new ATOM 0 HA SER A 92 -15.758 -7.035 -21.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.821 -4.848 -23.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.183 -5.816 -23.298 1.00 0.00 H new ATOM 0 HG SER A 92 -17.101 -3.750 -22.209 1.00 0.00 H new ATOM 1002 N TYR A 93 -15.599 -8.639 -23.529 1.00 0.00 N ATOM 1003 CA TYR A 93 -15.430 -9.625 -24.549 1.00 0.00 C ATOM 1004 C TYR A 93 -16.401 -9.363 -25.658 1.00 0.00 C ATOM 1005 O TYR A 93 -17.584 -9.710 -25.596 1.00 0.00 O ATOM 1006 CB TYR A 93 -15.577 -11.023 -24.012 1.00 0.00 C ATOM 1007 CG TYR A 93 -15.296 -12.124 -25.024 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -13.998 -12.530 -25.280 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -16.325 -12.753 -25.713 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -13.728 -13.527 -26.197 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -16.063 -13.751 -26.632 1.00 0.00 C ATOM 1012 CZ TYR A 93 -14.760 -14.132 -26.867 1.00 0.00 C ATOM 1013 OH TYR A 93 -14.488 -15.127 -27.789 1.00 0.00 O ATOM 0 H TYR A 93 -16.195 -8.920 -22.751 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.414 -9.550 -24.937 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.902 -11.145 -23.165 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -16.591 -11.147 -23.632 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.181 -12.059 -24.753 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -17.347 -12.457 -25.527 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.708 -13.829 -26.385 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.874 -14.229 -27.162 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.327 -15.454 -28.175 1.00 0.00 H new ATOM 1023 N VAL A 94 -15.906 -8.688 -26.601 1.00 0.00 N ATOM 1024 CA VAL A 94 -16.630 -8.304 -27.786 1.00 0.00 C ATOM 1025 C VAL A 94 -15.751 -8.596 -28.976 1.00 0.00 C ATOM 1026 O VAL A 94 -15.956 -9.624 -29.634 1.00 0.00 O ATOM 1027 CB VAL A 94 -17.025 -6.789 -27.785 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -17.806 -6.428 -29.045 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -17.834 -6.426 -26.545 1.00 0.00 C ATOM 0 H VAL A 94 -14.941 -8.358 -26.595 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.560 -8.871 -27.824 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.100 -6.212 -27.770 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.068 -5.370 -29.020 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.193 -6.629 -29.923 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -18.716 -7.027 -29.093 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.092 -5.367 -26.576 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.747 -7.021 -26.519 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.243 -6.630 -25.652 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.804 1.822 3.656 1.00 0.00 ZN