USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 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= -0.0248 X(o=-0.025,f=-0.023) USER MOD Single : A 43 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0.941 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00354) USER MOD Single : A 60 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= -2.15 (180deg=-3.63!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.13) USER MOD Single : A 75 SER OG : rot -3:sc= 1.05 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 81 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 46:sc= 0.083 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 23.431 -15.122 6.199 1.00 0.00 N ATOM 2 CA ASP A 28 22.606 -15.701 5.135 1.00 0.00 C ATOM 3 C ASP A 28 23.143 -15.243 3.794 1.00 0.00 C ATOM 4 O ASP A 28 23.334 -14.046 3.593 1.00 0.00 O ATOM 5 CB ASP A 28 21.142 -15.271 5.309 1.00 0.00 C ATOM 6 CG ASP A 28 20.211 -15.905 4.303 1.00 0.00 C ATOM 7 OD1 ASP A 28 19.912 -17.112 4.441 1.00 0.00 O ATOM 8 OD2 ASP A 28 19.723 -15.212 3.404 1.00 0.00 O ATOM 0 HA ASP A 28 22.646 -16.789 5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 28 20.811 -15.531 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 28 21.076 -14.186 5.222 1.00 0.00 H new ATOM 13 N PRO A 29 23.428 -16.185 2.854 1.00 0.00 N ATOM 14 CA PRO A 29 23.976 -15.847 1.528 1.00 0.00 C ATOM 15 C PRO A 29 23.091 -14.845 0.805 1.00 0.00 C ATOM 16 O PRO A 29 21.866 -14.932 0.884 1.00 0.00 O ATOM 17 CB PRO A 29 23.976 -17.179 0.780 1.00 0.00 C ATOM 18 CG PRO A 29 23.986 -18.216 1.846 1.00 0.00 C ATOM 19 CD PRO A 29 23.223 -17.639 3.000 1.00 0.00 C ATOM 0 HA PRO A 29 24.963 -15.390 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 29 23.096 -17.275 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 29 24.849 -17.269 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 29 23.523 -19.138 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 29 25.006 -18.463 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 29 22.166 -17.902 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 29 23.602 -18.004 3.955 1.00 0.00 H new ATOM 27 N ASN A 30 23.718 -13.891 0.123 1.00 0.00 N ATOM 28 CA ASN A 30 23.049 -12.802 -0.596 1.00 0.00 C ATOM 29 C ASN A 30 22.397 -11.760 0.336 1.00 0.00 C ATOM 30 O ASN A 30 22.204 -10.604 -0.049 1.00 0.00 O ATOM 31 CB ASN A 30 22.055 -13.371 -1.601 1.00 0.00 C ATOM 32 CG ASN A 30 21.144 -12.338 -2.252 1.00 0.00 C ATOM 33 OD1 ASN A 30 21.485 -11.747 -3.281 1.00 0.00 O ATOM 34 ND2 ASN A 30 19.975 -12.128 -1.683 1.00 0.00 N ATOM 0 H ASN A 30 24.735 -13.850 0.051 1.00 0.00 H new ATOM 0 HA ASN A 30 23.820 -12.253 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.608 -13.892 -2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 30 21.437 -14.115 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.321 -11.461 -2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 30 19.723 -12.633 -0.833 1.00 0.00 H new ATOM 41 N ALA A 31 22.104 -12.145 1.551 1.00 0.00 N ATOM 42 CA ALA A 31 21.444 -11.278 2.464 1.00 0.00 C ATOM 43 C ALA A 31 22.369 -10.798 3.550 1.00 0.00 C ATOM 44 O ALA A 31 22.409 -11.341 4.660 1.00 0.00 O ATOM 45 CB ALA A 31 20.188 -11.906 3.038 1.00 0.00 C ATOM 0 H ALA A 31 22.320 -13.069 1.925 1.00 0.00 H new ATOM 0 HA ALA A 31 21.132 -10.402 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 31 19.716 -11.209 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.495 -12.139 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 31 20.449 -12.822 3.568 1.00 0.00 H new ATOM 51 N GLU A 32 23.167 -9.856 3.196 1.00 0.00 N ATOM 52 CA GLU A 32 23.998 -9.189 4.120 1.00 0.00 C ATOM 53 C GLU A 32 23.599 -7.727 4.099 1.00 0.00 C ATOM 54 O GLU A 32 23.072 -7.193 5.086 1.00 0.00 O ATOM 55 CB GLU A 32 25.475 -9.333 3.762 1.00 0.00 C ATOM 56 CG GLU A 32 26.395 -8.768 4.823 1.00 0.00 C ATOM 57 CD GLU A 32 27.836 -8.725 4.406 1.00 0.00 C ATOM 58 OE1 GLU A 32 28.478 -9.790 4.305 1.00 0.00 O ATOM 59 OE2 GLU A 32 28.359 -7.613 4.198 1.00 0.00 O ATOM 0 H GLU A 32 23.259 -9.524 2.236 1.00 0.00 H new ATOM 0 HA GLU A 32 23.872 -9.625 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.706 -10.388 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.666 -8.827 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.068 -7.759 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.305 -9.369 5.728 1.00 0.00 H new ATOM 66 N PHE A 33 23.824 -7.102 2.930 1.00 0.00 N ATOM 67 CA PHE A 33 23.472 -5.713 2.661 1.00 0.00 C ATOM 68 C PHE A 33 24.155 -4.772 3.653 1.00 0.00 C ATOM 69 O PHE A 33 25.158 -5.135 4.289 1.00 0.00 O ATOM 70 CB PHE A 33 21.944 -5.530 2.709 1.00 0.00 C ATOM 71 CG PHE A 33 21.179 -6.384 1.727 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.133 -6.049 0.385 1.00 0.00 C ATOM 73 CD2 PHE A 33 20.499 -7.514 2.153 1.00 0.00 C ATOM 74 CE1 PHE A 33 20.427 -6.826 -0.513 1.00 0.00 C ATOM 75 CE2 PHE A 33 19.792 -8.293 1.259 1.00 0.00 C ATOM 76 CZ PHE A 33 19.756 -7.949 -0.076 1.00 0.00 C ATOM 0 H PHE A 33 24.265 -7.565 2.135 1.00 0.00 H new ATOM 0 HA PHE A 33 23.824 -5.461 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 33 21.595 -5.757 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.710 -4.482 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.655 -5.170 0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.522 -7.789 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.400 -6.554 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 33 19.267 -9.171 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 33 19.204 -8.557 -0.777 1.00 0.00 H new ATOM 86 N ASP A 34 23.651 -3.566 3.746 1.00 0.00 N ATOM 87 CA ASP A 34 24.155 -2.607 4.708 1.00 0.00 C ATOM 88 C ASP A 34 23.537 -2.944 6.064 1.00 0.00 C ATOM 89 O ASP A 34 22.332 -3.174 6.146 1.00 0.00 O ATOM 90 CB ASP A 34 23.758 -1.190 4.299 1.00 0.00 C ATOM 91 CG ASP A 34 24.417 -0.132 5.155 1.00 0.00 C ATOM 92 OD1 ASP A 34 24.065 0.009 6.333 1.00 0.00 O ATOM 93 OD2 ASP A 34 25.327 0.561 4.652 1.00 0.00 O ATOM 0 H ASP A 34 22.887 -3.220 3.165 1.00 0.00 H new ATOM 0 HA ASP A 34 25.243 -2.656 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 34 24.028 -1.028 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 22.675 -1.086 4.368 1.00 0.00 H new ATOM 98 N PRO A 35 24.330 -3.003 7.135 1.00 0.00 N ATOM 99 CA PRO A 35 23.828 -3.377 8.458 1.00 0.00 C ATOM 100 C PRO A 35 22.987 -2.287 9.140 1.00 0.00 C ATOM 101 O PRO A 35 22.264 -2.563 10.107 1.00 0.00 O ATOM 102 CB PRO A 35 25.096 -3.663 9.255 1.00 0.00 C ATOM 103 CG PRO A 35 26.139 -2.814 8.614 1.00 0.00 C ATOM 104 CD PRO A 35 25.780 -2.732 7.154 1.00 0.00 C ATOM 0 HA PRO A 35 23.145 -4.224 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.969 -3.409 10.307 1.00 0.00 H new ATOM 0 HB3 PRO A 35 25.362 -4.719 9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.163 -1.822 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.130 -3.249 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 35 26.009 -1.750 6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 35 26.332 -3.464 6.564 1.00 0.00 H new ATOM 112 N ASP A 36 23.058 -1.070 8.648 1.00 0.00 N ATOM 113 CA ASP A 36 22.300 0.015 9.248 1.00 0.00 C ATOM 114 C ASP A 36 20.925 0.068 8.631 1.00 0.00 C ATOM 115 O ASP A 36 19.936 0.407 9.291 1.00 0.00 O ATOM 116 CB ASP A 36 23.020 1.356 9.075 1.00 0.00 C ATOM 117 CG ASP A 36 22.286 2.511 9.734 1.00 0.00 C ATOM 118 OD1 ASP A 36 22.273 2.580 10.985 1.00 0.00 O ATOM 119 OD2 ASP A 36 21.712 3.367 9.023 1.00 0.00 O ATOM 0 H ASP A 36 23.625 -0.804 7.843 1.00 0.00 H new ATOM 0 HA ASP A 36 22.209 -0.173 10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.022 1.281 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.136 1.566 8.012 1.00 0.00 H new ATOM 124 N LEU A 37 20.856 -0.324 7.386 1.00 0.00 N ATOM 125 CA LEU A 37 19.623 -0.303 6.647 1.00 0.00 C ATOM 126 C LEU A 37 18.963 -1.682 6.613 1.00 0.00 C ATOM 127 O LEU A 37 19.515 -2.630 6.055 1.00 0.00 O ATOM 128 CB LEU A 37 19.824 0.201 5.214 1.00 0.00 C ATOM 129 CG LEU A 37 20.220 1.686 4.991 1.00 0.00 C ATOM 130 CD1 LEU A 37 19.220 2.620 5.623 1.00 0.00 C ATOM 131 CD2 LEU A 37 21.623 1.997 5.468 1.00 0.00 C ATOM 0 H LEU A 37 21.656 -0.668 6.855 1.00 0.00 H new ATOM 0 HA LEU A 37 18.965 0.391 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.592 -0.418 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.898 0.021 4.668 1.00 0.00 H new ATOM 0 HG LEU A 37 20.210 1.847 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.526 3.652 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.237 2.453 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.173 2.431 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.844 3.049 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.699 1.789 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.337 1.377 4.926 1.00 0.00 H new ATOM 143 N PRO A 38 17.773 -1.805 7.203 1.00 0.00 N ATOM 144 CA PRO A 38 17.002 -3.053 7.197 1.00 0.00 C ATOM 145 C PRO A 38 16.564 -3.406 5.783 1.00 0.00 C ATOM 146 O PRO A 38 15.993 -2.563 5.065 1.00 0.00 O ATOM 147 CB PRO A 38 15.777 -2.741 8.070 1.00 0.00 C ATOM 148 CG PRO A 38 16.116 -1.477 8.790 1.00 0.00 C ATOM 149 CD PRO A 38 17.086 -0.741 7.920 1.00 0.00 C ATOM 0 HA PRO A 38 17.579 -3.901 7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.881 -2.618 7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.577 -3.551 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.222 -0.879 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.554 -1.691 9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.577 -0.061 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.779 -0.141 8.510 1.00 0.00 H new ATOM 157 N GLY A 39 16.870 -4.617 5.364 1.00 0.00 N ATOM 158 CA GLY A 39 16.543 -5.047 4.023 1.00 0.00 C ATOM 159 C GLY A 39 17.417 -4.347 3.014 1.00 0.00 C ATOM 160 O GLY A 39 17.043 -4.187 1.848 1.00 0.00 O ATOM 0 H GLY A 39 17.344 -5.319 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.674 -6.126 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.495 -4.836 3.813 1.00 0.00 H new ATOM 164 N GLY A 40 18.568 -3.871 3.488 1.00 0.00 N ATOM 165 CA GLY A 40 19.510 -3.153 2.652 1.00 0.00 C ATOM 166 C GLY A 40 19.000 -1.792 2.262 1.00 0.00 C ATOM 167 O GLY A 40 19.605 -1.106 1.435 1.00 0.00 O ATOM 0 H GLY A 40 18.866 -3.975 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.456 -3.046 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.712 -3.735 1.753 1.00 0.00 H new ATOM 171 N GLY A 41 17.877 -1.400 2.851 1.00 0.00 N ATOM 172 CA GLY A 41 17.259 -0.142 2.527 1.00 0.00 C ATOM 173 C GLY A 41 16.589 -0.176 1.169 1.00 0.00 C ATOM 174 O GLY A 41 16.105 0.840 0.682 1.00 0.00 O ATOM 0 H GLY A 41 17.382 -1.945 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.521 0.107 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.011 0.647 2.541 1.00 0.00 H new ATOM 178 N LEU A 42 16.538 -1.357 0.573 1.00 0.00 N ATOM 179 CA LEU A 42 16.018 -1.526 -0.757 1.00 0.00 C ATOM 180 C LEU A 42 14.517 -1.665 -0.741 1.00 0.00 C ATOM 181 O LEU A 42 13.838 -1.352 -1.717 1.00 0.00 O ATOM 182 CB LEU A 42 16.627 -2.777 -1.381 1.00 0.00 C ATOM 183 CG LEU A 42 18.155 -2.854 -1.424 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.602 -4.134 -2.100 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.745 -1.645 -2.128 1.00 0.00 C ATOM 0 H LEU A 42 16.859 -2.222 1.007 1.00 0.00 H new ATOM 0 HA LEU A 42 16.279 -0.643 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.259 -3.644 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.254 -2.864 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 42 18.521 -2.856 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.691 -4.173 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.220 -4.991 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.217 -4.161 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.832 -1.727 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.370 -1.600 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.457 -0.738 -1.596 1.00 0.00 H new ATOM 197 N HIS A 43 13.994 -2.106 0.368 1.00 0.00 N ATOM 198 CA HIS A 43 12.587 -2.391 0.453 1.00 0.00 C ATOM 199 C HIS A 43 11.920 -1.354 1.296 1.00 0.00 C ATOM 200 O HIS A 43 11.921 -1.443 2.526 1.00 0.00 O ATOM 201 CB HIS A 43 12.319 -3.786 1.040 1.00 0.00 C ATOM 202 CG HIS A 43 13.140 -4.881 0.420 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.891 -5.401 -0.819 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.225 -5.539 0.886 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.778 -6.328 -1.092 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.598 -6.432 -0.076 1.00 0.00 N ATOM 0 H HIS A 43 14.519 -2.276 1.226 1.00 0.00 H new ATOM 0 HA HIS A 43 12.180 -2.374 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.516 -3.761 2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.263 -4.024 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.706 -5.387 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.824 -6.908 -2.002 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.387 -7.076 -0.014 1.00 0.00 H new ATOM 215 N ARG A 44 11.427 -0.344 0.648 1.00 0.00 N ATOM 216 CA ARG A 44 10.724 0.720 1.316 1.00 0.00 C ATOM 217 C ARG A 44 9.400 0.971 0.659 1.00 0.00 C ATOM 218 O ARG A 44 9.247 0.834 -0.559 1.00 0.00 O ATOM 219 CB ARG A 44 11.464 2.038 1.214 1.00 0.00 C ATOM 220 CG ARG A 44 12.836 2.137 1.854 1.00 0.00 C ATOM 221 CD ARG A 44 13.466 3.482 1.480 1.00 0.00 C ATOM 222 NE ARG A 44 14.647 3.810 2.275 1.00 0.00 N ATOM 223 CZ ARG A 44 15.796 4.326 1.808 1.00 0.00 C ATOM 224 NH1 ARG A 44 16.023 4.416 0.495 1.00 0.00 N ATOM 225 NH2 ARG A 44 16.730 4.727 2.660 1.00 0.00 N ATOM 0 H ARG A 44 11.498 -0.229 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 44 10.624 0.401 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.571 2.280 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.833 2.810 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.753 2.049 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.469 1.317 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.740 3.466 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.723 4.270 1.604 1.00 0.00 H new ATOM 0 HE ARG A 44 14.594 3.631 3.278 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.319 4.091 -0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.900 4.810 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.574 4.643 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.604 5.120 2.311 1.00 0.00 H new ATOM 239 N CYS A 45 8.468 1.321 1.457 1.00 0.00 N ATOM 240 CA CYS A 45 7.207 1.850 1.001 1.00 0.00 C ATOM 241 C CYS A 45 7.317 3.339 1.085 1.00 0.00 C ATOM 242 O CYS A 45 7.512 3.866 2.168 1.00 0.00 O ATOM 243 CB CYS A 45 6.009 1.338 1.825 1.00 0.00 C ATOM 244 SG CYS A 45 4.441 2.289 1.596 1.00 0.00 S ATOM 0 H CYS A 45 8.544 1.253 2.472 1.00 0.00 H new ATOM 0 HA CYS A 45 7.015 1.517 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.826 0.296 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.278 1.359 2.881 1.00 0.00 H new ATOM 249 N LEU A 46 7.210 4.014 -0.030 1.00 0.00 N ATOM 250 CA LEU A 46 7.386 5.467 -0.075 1.00 0.00 C ATOM 251 C LEU A 46 6.353 6.182 0.784 1.00 0.00 C ATOM 252 O LEU A 46 6.657 7.172 1.433 1.00 0.00 O ATOM 253 CB LEU A 46 7.328 5.976 -1.514 1.00 0.00 C ATOM 254 CG LEU A 46 8.375 5.429 -2.467 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.174 5.992 -3.865 1.00 0.00 C ATOM 256 CD2 LEU A 46 9.784 5.714 -1.964 1.00 0.00 C ATOM 0 H LEU A 46 7.000 3.589 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 46 8.372 5.690 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.343 5.744 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.417 7.062 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 46 8.253 4.347 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.935 5.588 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.185 5.714 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.258 7.078 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.511 5.310 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.927 6.791 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.924 5.246 -0.990 1.00 0.00 H new ATOM 268 N ALA A 47 5.151 5.658 0.797 1.00 0.00 N ATOM 269 CA ALA A 47 4.066 6.223 1.594 1.00 0.00 C ATOM 270 C ALA A 47 4.295 6.037 3.099 1.00 0.00 C ATOM 271 O ALA A 47 3.672 6.717 3.911 1.00 0.00 O ATOM 272 CB ALA A 47 2.742 5.616 1.185 1.00 0.00 C ATOM 0 H ALA A 47 4.888 4.831 0.261 1.00 0.00 H new ATOM 0 HA ALA A 47 4.046 7.295 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.943 6.047 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.556 5.826 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.773 4.538 1.340 1.00 0.00 H new ATOM 278 N CYS A 48 5.175 5.120 3.466 1.00 0.00 N ATOM 279 CA CYS A 48 5.464 4.889 4.876 1.00 0.00 C ATOM 280 C CYS A 48 6.852 5.356 5.283 1.00 0.00 C ATOM 281 O CYS A 48 7.094 5.636 6.463 1.00 0.00 O ATOM 282 CB CYS A 48 5.188 3.431 5.303 1.00 0.00 C ATOM 283 SG CYS A 48 3.500 3.032 5.237 1.00 0.00 S ATOM 0 H CYS A 48 5.697 4.529 2.819 1.00 0.00 H new ATOM 0 HA CYS A 48 4.763 5.514 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.744 2.754 4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.556 3.276 6.317 1.00 0.00 H new ATOM 288 N ALA A 49 7.758 5.433 4.296 1.00 0.00 N ATOM 289 CA ALA A 49 9.151 5.867 4.483 1.00 0.00 C ATOM 290 C ALA A 49 9.903 4.914 5.429 1.00 0.00 C ATOM 291 O ALA A 49 10.950 5.258 5.990 1.00 0.00 O ATOM 292 CB ALA A 49 9.203 7.310 4.999 1.00 0.00 C ATOM 0 H ALA A 49 7.539 5.191 3.329 1.00 0.00 H new ATOM 0 HA ALA A 49 9.650 5.835 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.242 7.612 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.721 7.971 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.683 7.374 5.955 1.00 0.00 H new ATOM 298 N ARG A 50 9.386 3.707 5.561 1.00 0.00 N ATOM 299 CA ARG A 50 9.953 2.721 6.457 1.00 0.00 C ATOM 300 C ARG A 50 10.497 1.527 5.697 1.00 0.00 C ATOM 301 O ARG A 50 10.226 1.365 4.492 1.00 0.00 O ATOM 302 CB ARG A 50 8.937 2.296 7.513 1.00 0.00 C ATOM 303 CG ARG A 50 8.516 3.431 8.420 1.00 0.00 C ATOM 304 CD ARG A 50 7.506 2.995 9.459 1.00 0.00 C ATOM 305 NE ARG A 50 6.273 2.490 8.865 1.00 0.00 N ATOM 306 CZ ARG A 50 5.069 3.046 9.013 1.00 0.00 C ATOM 307 NH1 ARG A 50 4.936 4.197 9.669 1.00 0.00 N ATOM 308 NH2 ARG A 50 4.008 2.456 8.488 1.00 0.00 N ATOM 0 H ARG A 50 8.564 3.385 5.051 1.00 0.00 H new ATOM 0 HA ARG A 50 10.794 3.185 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.056 1.888 7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.363 1.495 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.395 3.838 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.091 4.234 7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.947 2.220 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.273 3.838 10.110 1.00 0.00 H new ATOM 0 HE ARG A 50 6.336 1.648 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.757 4.658 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.013 4.618 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.113 1.581 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.085 2.876 8.597 1.00 0.00 H new ATOM 322 N TYR A 51 11.235 0.690 6.401 1.00 0.00 N ATOM 323 CA TYR A 51 11.945 -0.397 5.824 1.00 0.00 C ATOM 324 C TYR A 51 11.290 -1.728 6.107 1.00 0.00 C ATOM 325 O TYR A 51 10.535 -1.877 7.077 1.00 0.00 O ATOM 326 CB TYR A 51 13.330 -0.421 6.421 1.00 0.00 C ATOM 327 CG TYR A 51 14.148 0.801 6.146 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.852 0.915 4.975 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.217 1.846 7.064 1.00 0.00 C ATOM 330 CE1 TYR A 51 15.602 2.026 4.708 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.970 2.965 6.804 1.00 0.00 C ATOM 332 CZ TYR A 51 15.659 3.047 5.622 1.00 0.00 C ATOM 333 OH TYR A 51 16.402 4.161 5.337 1.00 0.00 O ATOM 0 H TYR A 51 11.349 0.763 7.412 1.00 0.00 H new ATOM 0 HA TYR A 51 11.962 -0.253 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.244 -0.549 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.862 -1.292 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.813 0.114 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 51 13.671 1.776 7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 51 16.149 2.100 3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.019 3.770 7.522 1.00 0.00 H new ATOM 0 HH TYR A 51 16.341 4.794 6.082 1.00 0.00 H new ATOM 343 N PHE A 52 11.582 -2.683 5.252 1.00 0.00 N ATOM 344 CA PHE A 52 11.140 -4.056 5.400 1.00 0.00 C ATOM 345 C PHE A 52 12.304 -4.961 5.076 1.00 0.00 C ATOM 346 O PHE A 52 13.129 -4.631 4.219 1.00 0.00 O ATOM 347 CB PHE A 52 9.988 -4.376 4.447 1.00 0.00 C ATOM 348 CG PHE A 52 8.757 -3.546 4.655 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.643 -2.294 4.076 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.713 -4.022 5.424 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.513 -1.534 4.263 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.582 -3.265 5.615 1.00 0.00 C ATOM 353 CZ PHE A 52 6.485 -2.020 5.030 1.00 0.00 C ATOM 0 H PHE A 52 12.145 -2.526 4.416 1.00 0.00 H new ATOM 0 HA PHE A 52 10.790 -4.206 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.333 -4.240 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.724 -5.428 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.451 -1.910 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.786 -4.998 5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.435 -0.558 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.772 -3.644 6.221 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.596 -1.425 5.176 1.00 0.00 H new ATOM 363 N ILE A 53 12.375 -6.091 5.737 1.00 0.00 N ATOM 364 CA ILE A 53 13.447 -7.026 5.519 1.00 0.00 C ATOM 365 C ILE A 53 13.238 -7.863 4.265 1.00 0.00 C ATOM 366 O ILE A 53 14.166 -8.505 3.776 1.00 0.00 O ATOM 367 CB ILE A 53 13.640 -7.957 6.719 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.353 -8.741 7.043 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.145 -7.185 7.922 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.504 -9.739 8.172 1.00 0.00 C ATOM 0 H ILE A 53 11.694 -6.385 6.437 1.00 0.00 H new ATOM 0 HA ILE A 53 14.345 -6.422 5.387 1.00 0.00 H new ATOM 0 HB ILE A 53 14.399 -8.693 6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.565 -8.034 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.027 -9.269 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.275 -7.866 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.101 -6.720 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.423 -6.413 8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.554 -10.248 8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.268 -10.471 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.799 -9.217 9.082 1.00 0.00 H new ATOM 382 N ASP A 54 12.023 -7.868 3.756 1.00 0.00 N ATOM 383 CA ASP A 54 11.719 -8.632 2.555 1.00 0.00 C ATOM 384 C ASP A 54 10.880 -7.814 1.645 1.00 0.00 C ATOM 385 O ASP A 54 10.119 -6.950 2.099 1.00 0.00 O ATOM 386 CB ASP A 54 10.927 -9.915 2.863 1.00 0.00 C ATOM 387 CG ASP A 54 11.613 -10.869 3.786 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.533 -11.590 3.350 1.00 0.00 O ATOM 389 OD2 ASP A 54 11.224 -10.932 4.951 1.00 0.00 O ATOM 0 H ASP A 54 11.233 -7.357 4.149 1.00 0.00 H new ATOM 0 HA ASP A 54 12.675 -8.898 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.967 -9.637 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.715 -10.428 1.925 1.00 0.00 H new ATOM 394 N SER A 55 10.982 -8.082 0.371 1.00 0.00 N ATOM 395 CA SER A 55 10.128 -7.454 -0.594 1.00 0.00 C ATOM 396 C SER A 55 8.762 -8.082 -0.460 1.00 0.00 C ATOM 397 O SER A 55 7.746 -7.434 -0.659 1.00 0.00 O ATOM 398 CB SER A 55 10.683 -7.638 -2.020 1.00 0.00 C ATOM 399 OG SER A 55 9.838 -7.031 -2.991 1.00 0.00 O ATOM 0 H SER A 55 11.656 -8.738 -0.023 1.00 0.00 H new ATOM 0 HA SER A 55 10.072 -6.380 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.681 -7.204 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.784 -8.701 -2.238 1.00 0.00 H new ATOM 0 HG SER A 55 10.218 -7.164 -3.884 1.00 0.00 H new ATOM 405 N THR A 56 8.759 -9.352 -0.059 1.00 0.00 N ATOM 406 CA THR A 56 7.553 -10.086 0.168 1.00 0.00 C ATOM 407 C THR A 56 6.742 -9.430 1.308 1.00 0.00 C ATOM 408 O THR A 56 5.511 -9.342 1.242 1.00 0.00 O ATOM 409 CB THR A 56 7.879 -11.544 0.496 1.00 0.00 C ATOM 410 OG1 THR A 56 8.765 -12.063 -0.524 1.00 0.00 O ATOM 411 CG2 THR A 56 6.617 -12.389 0.533 1.00 0.00 C ATOM 0 H THR A 56 9.609 -9.889 0.114 1.00 0.00 H new ATOM 0 HA THR A 56 6.946 -10.068 -0.737 1.00 0.00 H new ATOM 0 HB THR A 56 8.352 -11.586 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.983 -12.997 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.877 -13.421 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.942 -12.002 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.125 -12.351 -0.439 1.00 0.00 H new ATOM 419 N ASN A 57 7.448 -8.932 2.329 1.00 0.00 N ATOM 420 CA ASN A 57 6.822 -8.211 3.409 1.00 0.00 C ATOM 421 C ASN A 57 6.284 -6.890 2.924 1.00 0.00 C ATOM 422 O ASN A 57 5.163 -6.512 3.234 1.00 0.00 O ATOM 423 CB ASN A 57 7.788 -7.991 4.591 1.00 0.00 C ATOM 424 CG ASN A 57 7.751 -9.077 5.662 1.00 0.00 C ATOM 425 OD1 ASN A 57 8.676 -9.999 5.637 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 6.918 -9.027 6.558 1.00 0.00 N flip ATOM 0 H ASN A 57 8.460 -9.024 2.417 1.00 0.00 H new ATOM 0 HA ASN A 57 5.994 -8.822 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.804 -7.919 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.556 -7.033 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.207 -8.296 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.935 -9.716 7.310 1.00 0.00 H new ATOM 433 N LEU A 58 7.084 -6.213 2.140 1.00 0.00 N ATOM 434 CA LEU A 58 6.734 -4.926 1.589 1.00 0.00 C ATOM 435 C LEU A 58 5.503 -5.008 0.674 1.00 0.00 C ATOM 436 O LEU A 58 4.573 -4.226 0.807 1.00 0.00 O ATOM 437 CB LEU A 58 7.986 -4.323 0.893 1.00 0.00 C ATOM 438 CG LEU A 58 7.843 -3.008 0.119 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.233 -3.207 -1.242 1.00 0.00 C ATOM 440 CD2 LEU A 58 7.073 -1.996 0.928 1.00 0.00 C ATOM 0 H LEU A 58 8.008 -6.543 1.862 1.00 0.00 H new ATOM 0 HA LEU A 58 6.435 -4.251 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.748 -4.174 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.371 -5.072 0.201 1.00 0.00 H new ATOM 0 HG LEU A 58 8.847 -2.619 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.154 -2.245 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.863 -3.876 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.240 -3.644 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.983 -1.070 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.079 -2.386 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.600 -1.800 1.862 1.00 0.00 H new ATOM 452 N LYS A 59 5.517 -5.932 -0.237 1.00 0.00 N ATOM 453 CA LYS A 59 4.386 -6.115 -1.162 1.00 0.00 C ATOM 454 C LYS A 59 3.081 -6.490 -0.418 1.00 0.00 C ATOM 455 O LYS A 59 2.006 -5.987 -0.752 1.00 0.00 O ATOM 456 CB LYS A 59 4.729 -7.107 -2.292 1.00 0.00 C ATOM 457 CG LYS A 59 4.980 -8.539 -1.848 1.00 0.00 C ATOM 458 CD LYS A 59 5.553 -9.391 -2.981 1.00 0.00 C ATOM 459 CE LYS A 59 4.636 -9.466 -4.195 1.00 0.00 C ATOM 460 NZ LYS A 59 3.361 -10.144 -3.906 1.00 0.00 N ATOM 0 H LYS A 59 6.289 -6.583 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 59 4.199 -5.152 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.912 -7.106 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.615 -6.745 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.671 -8.543 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.047 -8.980 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.516 -8.980 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.739 -10.399 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.433 -8.457 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.148 -9.993 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.784 -10.182 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.550 -11.111 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.848 -9.619 -3.170 1.00 0.00 H new ATOM 474 N THR A 60 3.190 -7.338 0.611 1.00 0.00 N ATOM 475 CA THR A 60 2.037 -7.707 1.452 1.00 0.00 C ATOM 476 C THR A 60 1.573 -6.478 2.243 1.00 0.00 C ATOM 477 O THR A 60 0.412 -6.326 2.567 1.00 0.00 O ATOM 478 CB THR A 60 2.400 -8.841 2.414 1.00 0.00 C ATOM 479 OG1 THR A 60 2.938 -9.951 1.665 1.00 0.00 O ATOM 480 CG2 THR A 60 1.178 -9.316 3.190 1.00 0.00 C ATOM 0 H THR A 60 4.065 -7.784 0.885 1.00 0.00 H new ATOM 0 HA THR A 60 1.231 -8.057 0.807 1.00 0.00 H new ATOM 0 HB THR A 60 3.139 -8.464 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.915 -9.885 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.466 -10.122 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.769 -8.487 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.423 -9.680 2.493 1.00 0.00 H new ATOM 488 N HIS A 61 2.500 -5.612 2.537 1.00 0.00 N ATOM 489 CA HIS A 61 2.210 -4.359 3.186 1.00 0.00 C ATOM 490 C HIS A 61 1.165 -3.505 2.402 1.00 0.00 C ATOM 491 O HIS A 61 0.436 -2.715 2.998 1.00 0.00 O ATOM 492 CB HIS A 61 3.527 -3.595 3.488 1.00 0.00 C ATOM 493 CG HIS A 61 3.348 -2.169 3.845 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.897 -1.735 5.058 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.489 -1.068 3.091 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.761 -0.441 5.007 1.00 0.00 C ATOM 497 NE2 HIS A 61 3.112 -0.031 3.851 1.00 0.00 N ATOM 0 H HIS A 61 3.489 -5.754 2.332 1.00 0.00 H new ATOM 0 HA HIS A 61 1.731 -4.573 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.043 -4.098 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.176 -3.658 2.614 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.700 -2.324 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.838 -1.026 2.070 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.408 0.185 5.814 1.00 0.00 H new ATOM 505 N PHE A 62 1.091 -3.659 1.082 1.00 0.00 N ATOM 506 CA PHE A 62 0.098 -2.889 0.331 1.00 0.00 C ATOM 507 C PHE A 62 -1.109 -3.773 0.011 1.00 0.00 C ATOM 508 O PHE A 62 -1.957 -3.410 -0.793 1.00 0.00 O ATOM 509 CB PHE A 62 0.642 -2.348 -0.988 1.00 0.00 C ATOM 510 CG PHE A 62 2.032 -1.834 -0.955 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.368 -0.714 -0.234 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.005 -2.480 -1.667 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.663 -0.256 -0.217 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.288 -2.038 -1.666 1.00 0.00 C ATOM 515 CZ PHE A 62 4.639 -0.929 -0.946 1.00 0.00 C ATOM 0 H PHE A 62 1.679 -4.282 0.527 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.179 -2.045 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.586 -3.141 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.013 -1.545 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.607 -0.189 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.747 -3.358 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.922 0.621 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.037 -2.565 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.661 -0.580 -0.943 1.00 0.00 H new ATOM 525 N ARG A 63 -1.180 -4.936 0.635 1.00 0.00 N ATOM 526 CA ARG A 63 -2.278 -5.855 0.420 1.00 0.00 C ATOM 527 C ARG A 63 -3.530 -5.207 1.047 1.00 0.00 C ATOM 528 O ARG A 63 -4.658 -5.377 0.570 1.00 0.00 O ATOM 529 CB ARG A 63 -1.913 -7.175 1.125 1.00 0.00 C ATOM 530 CG ARG A 63 -2.586 -8.451 0.662 1.00 0.00 C ATOM 531 CD ARG A 63 -4.077 -8.447 0.820 1.00 0.00 C ATOM 532 NE ARG A 63 -4.514 -8.246 2.217 1.00 0.00 N ATOM 533 CZ ARG A 63 -5.799 -8.182 2.605 1.00 0.00 C ATOM 534 NH1 ARG A 63 -6.777 -8.407 1.737 1.00 0.00 N ATOM 535 NH2 ARG A 63 -6.102 -7.909 3.863 1.00 0.00 N ATOM 0 H ARG A 63 -0.481 -5.266 1.301 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.469 -6.061 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.836 -7.315 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.127 -7.054 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.343 -8.618 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.174 -9.291 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.500 -7.659 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.477 -9.392 0.453 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.794 -8.150 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.556 -8.631 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.750 -8.356 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.359 -7.746 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.079 -7.861 4.154 1.00 0.00 H new ATOM 549 N SER A 64 -3.291 -4.443 2.096 1.00 0.00 N ATOM 550 CA SER A 64 -4.312 -3.723 2.813 1.00 0.00 C ATOM 551 C SER A 64 -4.831 -2.531 1.970 1.00 0.00 C ATOM 552 O SER A 64 -4.078 -1.597 1.651 1.00 0.00 O ATOM 553 CB SER A 64 -3.713 -3.234 4.123 1.00 0.00 C ATOM 554 OG SER A 64 -3.111 -4.318 4.831 1.00 0.00 O ATOM 0 H SER A 64 -2.355 -4.306 2.478 1.00 0.00 H new ATOM 0 HA SER A 64 -5.161 -4.377 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.968 -2.463 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.489 -2.777 4.737 1.00 0.00 H new ATOM 0 HG SER A 64 -2.728 -3.988 5.671 1.00 0.00 H new ATOM 560 N LYS A 65 -6.116 -2.577 1.624 1.00 0.00 N ATOM 561 CA LYS A 65 -6.767 -1.563 0.781 1.00 0.00 C ATOM 562 C LYS A 65 -6.768 -0.167 1.427 1.00 0.00 C ATOM 563 O LYS A 65 -6.637 0.837 0.735 1.00 0.00 O ATOM 564 CB LYS A 65 -8.213 -1.984 0.456 1.00 0.00 C ATOM 565 CG LYS A 65 -9.079 -2.196 1.695 1.00 0.00 C ATOM 566 CD LYS A 65 -10.526 -2.515 1.369 1.00 0.00 C ATOM 567 CE LYS A 65 -10.675 -3.799 0.587 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.090 -4.090 0.294 1.00 0.00 N ATOM 0 H LYS A 65 -6.744 -3.324 1.921 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.184 -1.498 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.672 -1.221 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.193 -2.906 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.660 -3.009 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.042 -1.299 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.095 -2.590 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.955 -1.693 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.117 -3.725 -0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.242 -4.624 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.158 -4.978 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.617 -4.184 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.495 -3.314 -0.267 1.00 0.00 H new ATOM 582 N ASP A 66 -6.889 -0.125 2.760 1.00 0.00 N ATOM 583 CA ASP A 66 -6.995 1.135 3.518 1.00 0.00 C ATOM 584 C ASP A 66 -5.850 2.075 3.226 1.00 0.00 C ATOM 585 O ASP A 66 -6.054 3.281 3.043 1.00 0.00 O ATOM 586 CB ASP A 66 -7.049 0.859 5.016 1.00 0.00 C ATOM 587 CG ASP A 66 -7.126 2.125 5.842 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.229 2.684 5.996 1.00 0.00 O ATOM 589 OD2 ASP A 66 -6.088 2.579 6.345 1.00 0.00 O ATOM 0 H ASP A 66 -6.916 -0.960 3.345 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.919 1.616 3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.915 0.234 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.165 0.292 5.309 1.00 0.00 H new ATOM 594 N HIS A 67 -4.677 1.515 3.166 1.00 0.00 N ATOM 595 CA HIS A 67 -3.449 2.260 2.921 1.00 0.00 C ATOM 596 C HIS A 67 -3.471 2.892 1.594 1.00 0.00 C ATOM 597 O HIS A 67 -3.309 4.082 1.473 1.00 0.00 O ATOM 598 CB HIS A 67 -2.261 1.326 2.990 1.00 0.00 C ATOM 599 CG HIS A 67 -0.939 1.921 2.843 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.671 3.200 3.288 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.187 1.307 2.697 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.596 3.307 3.469 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.152 2.188 3.134 1.00 0.00 N ATOM 0 H HIS A 67 -4.531 0.513 3.286 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.369 3.034 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.294 0.807 3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.380 0.570 2.214 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.361 3.934 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.341 0.310 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.110 4.182 3.838 1.00 0.00 H new ATOM 611 N LYS A 68 -3.670 2.095 0.616 1.00 0.00 N ATOM 612 CA LYS A 68 -3.635 2.537 -0.724 1.00 0.00 C ATOM 613 C LYS A 68 -4.768 3.517 -0.982 1.00 0.00 C ATOM 614 O LYS A 68 -4.644 4.410 -1.797 1.00 0.00 O ATOM 615 CB LYS A 68 -3.663 1.348 -1.629 1.00 0.00 C ATOM 616 CG LYS A 68 -2.519 0.346 -1.346 1.00 0.00 C ATOM 617 CD LYS A 68 -2.604 -0.835 -2.309 1.00 0.00 C ATOM 618 CE LYS A 68 -2.519 -0.405 -3.774 1.00 0.00 C ATOM 619 NZ LYS A 68 -2.659 -1.553 -4.693 1.00 0.00 N ATOM 0 H LYS A 68 -3.865 1.100 0.725 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.712 3.080 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.620 0.838 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.596 1.684 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.555 0.843 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.582 -0.009 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.797 -1.535 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.541 -1.367 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.300 0.326 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.564 0.089 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.596 -1.220 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.899 -2.239 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.581 -2.009 -4.540 1.00 0.00 H new ATOM 633 N LYS A 69 -5.868 3.353 -0.250 1.00 0.00 N ATOM 634 CA LYS A 69 -6.949 4.313 -0.283 1.00 0.00 C ATOM 635 C LYS A 69 -6.456 5.688 0.165 1.00 0.00 C ATOM 636 O LYS A 69 -6.814 6.704 -0.442 1.00 0.00 O ATOM 637 CB LYS A 69 -8.106 3.896 0.616 1.00 0.00 C ATOM 638 CG LYS A 69 -9.213 4.935 0.623 1.00 0.00 C ATOM 639 CD LYS A 69 -10.400 4.602 1.546 1.00 0.00 C ATOM 640 CE LYS A 69 -10.087 4.701 3.061 1.00 0.00 C ATOM 641 NZ LYS A 69 -9.107 3.701 3.556 1.00 0.00 N ATOM 0 H LYS A 69 -6.026 2.560 0.372 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.302 4.356 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.505 2.941 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.742 3.745 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.792 5.893 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.584 5.058 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.224 5.277 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.743 3.591 1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.707 5.700 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.016 4.587 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.322 3.464 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.164 2.841 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.147 4.096 3.496 1.00 0.00 H new ATOM 655 N ARG A 70 -5.610 5.724 1.218 1.00 0.00 N ATOM 656 CA ARG A 70 -5.091 6.995 1.735 1.00 0.00 C ATOM 657 C ARG A 70 -4.298 7.678 0.600 1.00 0.00 C ATOM 658 O ARG A 70 -4.334 8.890 0.436 1.00 0.00 O ATOM 659 CB ARG A 70 -4.197 6.710 2.982 1.00 0.00 C ATOM 660 CG ARG A 70 -3.830 7.910 3.896 1.00 0.00 C ATOM 661 CD ARG A 70 -3.094 9.001 3.160 1.00 0.00 C ATOM 662 NE ARG A 70 -2.588 10.069 4.038 1.00 0.00 N ATOM 663 CZ ARG A 70 -2.521 11.361 3.679 1.00 0.00 C ATOM 664 NH1 ARG A 70 -3.171 11.785 2.597 1.00 0.00 N ATOM 665 NH2 ARG A 70 -1.856 12.234 4.429 1.00 0.00 N ATOM 0 H ARG A 70 -5.280 4.897 1.716 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.894 7.660 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.704 5.964 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.269 6.258 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.741 8.322 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.214 7.556 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.257 8.561 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.760 9.439 2.416 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.270 9.813 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.719 11.128 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.121 12.766 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.393 11.924 5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.809 13.214 4.150 1.00 0.00 H new ATOM 679 N LEU A 71 -3.658 6.865 -0.207 1.00 0.00 N ATOM 680 CA LEU A 71 -2.867 7.316 -1.320 1.00 0.00 C ATOM 681 C LEU A 71 -3.746 7.774 -2.473 1.00 0.00 C ATOM 682 O LEU A 71 -3.476 8.803 -3.107 1.00 0.00 O ATOM 683 CB LEU A 71 -1.915 6.210 -1.776 1.00 0.00 C ATOM 684 CG LEU A 71 -0.630 5.996 -0.958 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.904 5.616 0.480 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.262 4.975 -1.622 1.00 0.00 C ATOM 0 H LEU A 71 -3.675 5.850 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.279 8.173 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.469 5.271 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.627 6.418 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.112 6.955 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.041 5.478 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.476 6.408 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.474 4.687 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.165 4.839 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.267 4.025 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.533 5.322 -2.619 1.00 0.00 H new ATOM 698 N LYS A 72 -4.799 7.022 -2.731 1.00 0.00 N ATOM 699 CA LYS A 72 -5.740 7.354 -3.787 1.00 0.00 C ATOM 700 C LYS A 72 -6.420 8.686 -3.525 1.00 0.00 C ATOM 701 O LYS A 72 -6.626 9.485 -4.442 1.00 0.00 O ATOM 702 CB LYS A 72 -6.795 6.263 -3.992 1.00 0.00 C ATOM 703 CG LYS A 72 -6.243 4.920 -4.456 1.00 0.00 C ATOM 704 CD LYS A 72 -7.360 3.904 -4.706 1.00 0.00 C ATOM 705 CE LYS A 72 -8.294 4.367 -5.823 1.00 0.00 C ATOM 706 NZ LYS A 72 -9.387 3.404 -6.093 1.00 0.00 N ATOM 0 H LYS A 72 -5.027 6.169 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.155 7.430 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.332 6.115 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.523 6.614 -4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.667 5.060 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.557 4.529 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.925 2.940 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.931 3.756 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.724 5.332 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.716 4.518 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.989 3.768 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.982 2.489 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.958 3.278 -5.233 1.00 0.00 H new ATOM 720 N GLN A 73 -6.753 8.933 -2.280 1.00 0.00 N ATOM 721 CA GLN A 73 -7.405 10.175 -1.921 1.00 0.00 C ATOM 722 C GLN A 73 -6.405 11.306 -1.851 1.00 0.00 C ATOM 723 O GLN A 73 -6.765 12.478 -1.981 1.00 0.00 O ATOM 724 CB GLN A 73 -8.167 10.043 -0.607 1.00 0.00 C ATOM 725 CG GLN A 73 -9.235 8.964 -0.621 1.00 0.00 C ATOM 726 CD GLN A 73 -10.317 9.206 -1.654 1.00 0.00 C ATOM 727 OE1 GLN A 73 -10.200 8.783 -2.796 1.00 0.00 O ATOM 728 NE2 GLN A 73 -11.382 9.856 -1.257 1.00 0.00 N ATOM 0 H GLN A 73 -6.585 8.296 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.129 10.407 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.458 9.828 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.634 10.999 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.765 8.000 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.692 8.902 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.445 10.194 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.149 10.024 -1.908 1.00 0.00 H new ATOM 737 N LEU A 74 -5.154 10.954 -1.665 1.00 0.00 N ATOM 738 CA LEU A 74 -4.110 11.926 -1.560 1.00 0.00 C ATOM 739 C LEU A 74 -3.819 12.517 -2.934 1.00 0.00 C ATOM 740 O LEU A 74 -3.702 13.737 -3.064 1.00 0.00 O ATOM 741 CB LEU A 74 -2.865 11.262 -0.931 1.00 0.00 C ATOM 742 CG LEU A 74 -1.646 12.136 -0.509 1.00 0.00 C ATOM 743 CD1 LEU A 74 -0.675 11.289 0.297 1.00 0.00 C ATOM 744 CD2 LEU A 74 -0.904 12.711 -1.705 1.00 0.00 C ATOM 0 H LEU A 74 -4.840 9.987 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.414 12.748 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.198 10.721 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.501 10.518 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.033 12.966 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.179 11.898 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.176 10.909 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.331 10.452 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.064 13.312 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.535 11.898 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.581 13.336 -2.287 1.00 0.00 H new ATOM 756 N SER A 75 -3.780 11.658 -3.968 1.00 0.00 N ATOM 757 CA SER A 75 -3.414 12.076 -5.350 1.00 0.00 C ATOM 758 C SER A 75 -3.572 10.954 -6.395 1.00 0.00 C ATOM 759 O SER A 75 -2.764 10.016 -6.440 1.00 0.00 O ATOM 760 CB SER A 75 -1.948 12.595 -5.442 1.00 0.00 C ATOM 761 OG SER A 75 -1.736 13.803 -4.716 1.00 0.00 O ATOM 0 H SER A 75 -3.997 10.665 -3.881 1.00 0.00 H new ATOM 0 HA SER A 75 -4.117 12.877 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.273 11.828 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.691 12.757 -6.489 1.00 0.00 H new ATOM 0 HG SER A 75 -2.584 14.105 -4.329 1.00 0.00 H new ATOM 767 N VAL A 76 -4.604 11.052 -7.212 1.00 0.00 N ATOM 768 CA VAL A 76 -4.773 10.198 -8.405 1.00 0.00 C ATOM 769 C VAL A 76 -5.340 11.074 -9.493 1.00 0.00 C ATOM 770 O VAL A 76 -4.729 11.279 -10.539 1.00 0.00 O ATOM 771 CB VAL A 76 -5.724 8.975 -8.202 1.00 0.00 C ATOM 772 CG1 VAL A 76 -5.803 8.139 -9.473 1.00 0.00 C ATOM 773 CG2 VAL A 76 -5.277 8.109 -7.061 1.00 0.00 C ATOM 0 H VAL A 76 -5.359 11.724 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.798 9.776 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.712 9.372 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.470 7.292 -9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.187 8.752 -10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.809 7.773 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.963 7.269 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.273 7.734 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.269 8.694 -6.141 1.00 0.00 H new ATOM 783 N GLU A 77 -6.499 11.603 -9.217 1.00 0.00 N ATOM 784 CA GLU A 77 -7.172 12.539 -10.073 1.00 0.00 C ATOM 785 C GLU A 77 -7.672 13.645 -9.180 1.00 0.00 C ATOM 786 O GLU A 77 -8.031 13.357 -8.040 1.00 0.00 O ATOM 787 CB GLU A 77 -8.353 11.862 -10.770 1.00 0.00 C ATOM 788 CG GLU A 77 -7.966 10.707 -11.668 1.00 0.00 C ATOM 789 CD GLU A 77 -9.146 10.040 -12.288 1.00 0.00 C ATOM 790 OE1 GLU A 77 -9.643 10.536 -13.312 1.00 0.00 O ATOM 791 OE2 GLU A 77 -9.592 8.991 -11.772 1.00 0.00 O ATOM 0 H GLU A 77 -7.017 11.388 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.503 12.919 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.049 11.501 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.885 12.606 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.304 11.070 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.403 9.975 -11.089 1.00 0.00 H new ATOM 798 N PRO A 78 -7.676 14.919 -9.645 1.00 0.00 N ATOM 799 CA PRO A 78 -8.146 16.061 -8.836 1.00 0.00 C ATOM 800 C PRO A 78 -9.495 15.768 -8.179 1.00 0.00 C ATOM 801 O PRO A 78 -10.523 15.615 -8.859 1.00 0.00 O ATOM 802 CB PRO A 78 -8.269 17.182 -9.856 1.00 0.00 C ATOM 803 CG PRO A 78 -7.244 16.851 -10.880 1.00 0.00 C ATOM 804 CD PRO A 78 -7.223 15.349 -10.980 1.00 0.00 C ATOM 0 HA PRO A 78 -7.473 16.299 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.268 17.219 -10.289 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.081 18.156 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.493 17.302 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.266 17.236 -10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.886 14.988 -11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.225 14.974 -11.207 1.00 0.00 H new ATOM 812 N TYR A 79 -9.478 15.654 -6.884 1.00 0.00 N ATOM 813 CA TYR A 79 -10.634 15.245 -6.137 1.00 0.00 C ATOM 814 C TYR A 79 -10.809 16.271 -5.042 1.00 0.00 C ATOM 815 O TYR A 79 -9.838 16.928 -4.683 1.00 0.00 O ATOM 816 CB TYR A 79 -10.329 13.873 -5.524 1.00 0.00 C ATOM 817 CG TYR A 79 -11.517 12.970 -5.340 1.00 0.00 C ATOM 818 CD1 TYR A 79 -12.416 13.135 -4.300 1.00 0.00 C ATOM 819 CD2 TYR A 79 -11.735 11.938 -6.236 1.00 0.00 C ATOM 820 CE1 TYR A 79 -13.496 12.285 -4.165 1.00 0.00 C ATOM 821 CE2 TYR A 79 -12.802 11.094 -6.106 1.00 0.00 C ATOM 822 CZ TYR A 79 -13.680 11.265 -5.075 1.00 0.00 C ATOM 823 OH TYR A 79 -14.760 10.410 -4.951 1.00 0.00 O ATOM 0 H TYR A 79 -8.656 15.843 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.533 15.175 -6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.602 13.364 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.856 14.025 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.271 13.935 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.047 11.797 -7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.193 12.418 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.950 10.294 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.740 9.750 -5.675 1.00 0.00 H new ATOM 833 N SER A 80 -11.992 16.428 -4.508 1.00 0.00 N ATOM 834 CA SER A 80 -12.184 17.406 -3.502 1.00 0.00 C ATOM 835 C SER A 80 -13.249 16.939 -2.529 1.00 0.00 C ATOM 836 O SER A 80 -13.823 15.838 -2.676 1.00 0.00 O ATOM 837 CB SER A 80 -12.568 18.750 -4.148 1.00 0.00 C ATOM 838 OG SER A 80 -12.618 19.807 -3.189 1.00 0.00 O ATOM 0 H SER A 80 -12.822 15.891 -4.758 1.00 0.00 H new ATOM 0 HA SER A 80 -11.257 17.549 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.845 18.999 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.539 18.655 -4.634 1.00 0.00 H new ATOM 0 HG SER A 80 -12.863 20.644 -3.637 1.00 0.00 H new ATOM 844 N GLN A 81 -13.509 17.761 -1.558 1.00 0.00 N ATOM 845 CA GLN A 81 -14.480 17.477 -0.552 1.00 0.00 C ATOM 846 C GLN A 81 -15.883 17.749 -1.027 1.00 0.00 C ATOM 847 O GLN A 81 -16.407 18.860 -0.905 1.00 0.00 O ATOM 848 CB GLN A 81 -14.181 18.178 0.766 1.00 0.00 C ATOM 849 CG GLN A 81 -12.961 17.645 1.478 1.00 0.00 C ATOM 850 CD GLN A 81 -12.716 18.356 2.786 1.00 0.00 C ATOM 851 OE1 GLN A 81 -12.013 19.361 2.843 1.00 0.00 O ATOM 852 NE2 GLN A 81 -13.304 17.855 3.841 1.00 0.00 N ATOM 0 H GLN A 81 -13.044 18.661 -1.443 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.410 16.407 -0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.043 19.243 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.045 18.080 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.086 16.578 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.088 17.757 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.881 17.018 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.186 18.301 4.751 1.00 0.00 H new ATOM 861 N GLU A 82 -16.439 16.749 -1.621 1.00 0.00 N ATOM 862 CA GLU A 82 -17.792 16.741 -2.099 1.00 0.00 C ATOM 863 C GLU A 82 -18.249 15.318 -2.094 1.00 0.00 C ATOM 864 O GLU A 82 -19.168 14.941 -1.369 1.00 0.00 O ATOM 865 CB GLU A 82 -17.885 17.319 -3.508 1.00 0.00 C ATOM 866 CG GLU A 82 -19.292 17.298 -4.068 1.00 0.00 C ATOM 867 CD GLU A 82 -19.364 17.829 -5.457 1.00 0.00 C ATOM 868 OE1 GLU A 82 -19.183 17.047 -6.409 1.00 0.00 O ATOM 869 OE2 GLU A 82 -19.614 19.048 -5.626 1.00 0.00 O ATOM 0 H GLU A 82 -15.947 15.873 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 82 -18.420 17.360 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.520 18.346 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.229 16.754 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.669 16.275 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.944 17.887 -3.424 1.00 0.00 H new ATOM 876 N GLU A 83 -17.587 14.529 -2.903 1.00 0.00 N ATOM 877 CA GLU A 83 -17.813 13.106 -2.934 1.00 0.00 C ATOM 878 C GLU A 83 -17.148 12.512 -1.714 1.00 0.00 C ATOM 879 O GLU A 83 -17.733 11.697 -0.998 1.00 0.00 O ATOM 880 CB GLU A 83 -17.215 12.498 -4.191 1.00 0.00 C ATOM 881 CG GLU A 83 -17.766 13.051 -5.485 1.00 0.00 C ATOM 882 CD GLU A 83 -17.098 12.435 -6.680 1.00 0.00 C ATOM 883 OE1 GLU A 83 -16.023 12.916 -7.082 1.00 0.00 O ATOM 884 OE2 GLU A 83 -17.620 11.449 -7.221 1.00 0.00 O ATOM 0 H GLU A 83 -16.877 14.855 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 83 -18.883 12.896 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.136 12.654 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.382 11.421 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.839 12.866 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.627 14.132 -5.507 1.00 0.00 H new ATOM 891 N ALA A 84 -15.922 12.938 -1.483 1.00 0.00 N ATOM 892 CA ALA A 84 -15.179 12.561 -0.318 1.00 0.00 C ATOM 893 C ALA A 84 -15.317 13.667 0.693 1.00 0.00 C ATOM 894 O ALA A 84 -14.743 14.729 0.514 1.00 0.00 O ATOM 895 CB ALA A 84 -13.717 12.337 -0.663 1.00 0.00 C ATOM 0 H ALA A 84 -15.417 13.562 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.566 11.626 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.171 12.052 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.636 11.542 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -13.294 13.256 -1.068 1.00 0.00 H new ATOM 901 N GLU A 85 -16.123 13.420 1.717 1.00 0.00 N ATOM 902 CA GLU A 85 -16.438 14.388 2.758 1.00 0.00 C ATOM 903 C GLU A 85 -17.201 15.583 2.208 1.00 0.00 C ATOM 904 O GLU A 85 -16.618 16.579 1.811 1.00 0.00 O ATOM 905 CB GLU A 85 -15.202 14.842 3.539 1.00 0.00 C ATOM 906 CG GLU A 85 -14.539 13.749 4.343 1.00 0.00 C ATOM 907 CD GLU A 85 -13.272 14.221 4.994 1.00 0.00 C ATOM 908 OE1 GLU A 85 -13.348 15.026 5.954 1.00 0.00 O ATOM 909 OE2 GLU A 85 -12.178 13.812 4.547 1.00 0.00 O ATOM 0 H GLU A 85 -16.586 12.521 1.850 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.087 13.869 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.475 15.254 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.489 15.650 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.229 13.392 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.319 12.903 3.692 1.00 0.00 H new ATOM 916 N ARG A 86 -18.513 15.455 2.143 1.00 0.00 N ATOM 917 CA ARG A 86 -19.365 16.564 1.710 1.00 0.00 C ATOM 918 C ARG A 86 -19.217 17.659 2.767 1.00 0.00 C ATOM 919 O ARG A 86 -19.147 18.855 2.467 1.00 0.00 O ATOM 920 CB ARG A 86 -20.823 16.050 1.569 1.00 0.00 C ATOM 921 CG ARG A 86 -21.839 16.989 0.900 1.00 0.00 C ATOM 922 CD ARG A 86 -22.235 18.188 1.750 1.00 0.00 C ATOM 923 NE ARG A 86 -23.214 19.026 1.051 1.00 0.00 N ATOM 924 CZ ARG A 86 -24.104 19.836 1.640 1.00 0.00 C ATOM 925 NH1 ARG A 86 -24.165 19.922 2.963 1.00 0.00 N ATOM 926 NH2 ARG A 86 -24.936 20.552 0.895 1.00 0.00 N ATOM 0 H ARG A 86 -19.017 14.601 2.382 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.082 16.968 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -20.799 15.119 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -21.193 15.807 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -21.421 17.347 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.736 16.420 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -22.654 17.845 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.350 18.778 1.988 1.00 0.00 H new ATOM 0 HE ARG A 86 -23.218 18.989 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -23.531 19.369 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -24.846 20.541 3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -24.897 20.485 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -25.615 21.170 1.339 1.00 0.00 H new ATOM 940 N ALA A 87 -19.145 17.213 3.987 1.00 0.00 N ATOM 941 CA ALA A 87 -18.832 18.024 5.124 1.00 0.00 C ATOM 942 C ALA A 87 -18.045 17.152 6.083 1.00 0.00 C ATOM 943 O ALA A 87 -16.869 17.383 6.332 1.00 0.00 O ATOM 944 CB ALA A 87 -20.105 18.545 5.777 1.00 0.00 C ATOM 0 H ALA A 87 -19.310 16.235 4.225 1.00 0.00 H new ATOM 0 HA ALA A 87 -18.247 18.897 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.846 19.159 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -20.663 19.145 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -20.718 17.704 6.101 1.00 0.00 H new ATOM 950 N ALA A 88 -18.717 16.107 6.540 1.00 0.00 N ATOM 951 CA ALA A 88 -18.221 15.060 7.439 1.00 0.00 C ATOM 952 C ALA A 88 -19.442 14.299 7.876 1.00 0.00 C ATOM 953 O ALA A 88 -19.553 13.075 7.724 1.00 0.00 O ATOM 954 CB ALA A 88 -17.511 15.640 8.665 1.00 0.00 C ATOM 0 H ALA A 88 -19.691 15.951 6.279 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.489 14.434 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.161 14.827 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.660 16.240 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.205 16.266 9.225 1.00 0.00 H new ATOM 960 N GLY A 89 -20.363 15.067 8.362 1.00 0.00 N ATOM 961 CA GLY A 89 -21.645 14.619 8.775 1.00 0.00 C ATOM 962 C GLY A 89 -22.527 15.819 8.841 1.00 0.00 C ATOM 963 O GLY A 89 -22.013 16.934 8.947 1.00 0.00 O ATOM 0 H GLY A 89 -20.231 16.071 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.042 13.887 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.587 14.129 9.747 1.00 0.00 H new ATOM 967 N MET A 90 -23.807 15.649 8.752 1.00 0.00 N ATOM 968 CA MET A 90 -24.699 16.783 8.808 1.00 0.00 C ATOM 969 C MET A 90 -25.782 16.503 9.821 1.00 0.00 C ATOM 970 O MET A 90 -26.625 15.619 9.626 1.00 0.00 O ATOM 971 CB MET A 90 -25.286 17.073 7.407 1.00 0.00 C ATOM 972 CG MET A 90 -26.049 18.404 7.248 1.00 0.00 C ATOM 973 SD MET A 90 -27.583 18.535 8.200 1.00 0.00 S ATOM 974 CE MET A 90 -28.103 20.187 7.729 1.00 0.00 C ATOM 0 H MET A 90 -24.265 14.745 8.641 1.00 0.00 H new ATOM 0 HA MET A 90 -24.154 17.674 9.119 1.00 0.00 H new ATOM 0 HB2 MET A 90 -24.470 17.058 6.684 1.00 0.00 H new ATOM 0 HB3 MET A 90 -25.960 16.258 7.143 1.00 0.00 H new ATOM 0 HG2 MET A 90 -25.388 19.220 7.541 1.00 0.00 H new ATOM 0 HG3 MET A 90 -26.282 18.546 6.193 1.00 0.00 H new ATOM 0 HE1 MET A 90 -29.040 20.430 8.230 1.00 0.00 H new ATOM 0 HE2 MET A 90 -27.338 20.906 8.021 1.00 0.00 H new ATOM 0 HE3 MET A 90 -28.247 20.229 6.649 1.00 0.00 H new ATOM 984 N GLY A 91 -25.735 17.217 10.903 1.00 0.00 N ATOM 985 CA GLY A 91 -26.685 17.064 11.943 1.00 0.00 C ATOM 986 C GLY A 91 -26.669 18.269 12.814 1.00 0.00 C ATOM 987 O GLY A 91 -25.646 18.579 13.430 1.00 0.00 O ATOM 0 H GLY A 91 -25.026 17.928 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -27.680 16.920 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -26.456 16.175 12.531 1.00 0.00 H new ATOM 991 N SER A 92 -27.757 18.974 12.841 1.00 0.00 N ATOM 992 CA SER A 92 -27.855 20.157 13.630 1.00 0.00 C ATOM 993 C SER A 92 -28.137 19.830 15.092 1.00 0.00 C ATOM 994 O SER A 92 -29.289 19.651 15.505 1.00 0.00 O ATOM 995 CB SER A 92 -28.877 21.128 13.028 1.00 0.00 C ATOM 996 OG SER A 92 -30.116 20.474 12.773 1.00 0.00 O ATOM 0 H SER A 92 -28.601 18.744 12.316 1.00 0.00 H new ATOM 0 HA SER A 92 -26.890 20.664 13.614 1.00 0.00 H new ATOM 0 HB2 SER A 92 -29.036 21.963 13.711 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.485 21.545 12.101 1.00 0.00 H new ATOM 0 HG SER A 92 -30.366 19.932 13.550 1.00 0.00 H new ATOM 1002 N TYR A 93 -27.082 19.695 15.834 1.00 0.00 N ATOM 1003 CA TYR A 93 -27.133 19.401 17.232 1.00 0.00 C ATOM 1004 C TYR A 93 -26.858 20.670 18.008 1.00 0.00 C ATOM 1005 O TYR A 93 -25.940 21.417 17.680 1.00 0.00 O ATOM 1006 CB TYR A 93 -26.086 18.322 17.561 1.00 0.00 C ATOM 1007 CG TYR A 93 -25.937 17.986 19.034 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -26.758 17.057 19.654 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -24.960 18.609 19.797 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -26.606 16.765 20.998 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -24.808 18.327 21.130 1.00 0.00 C ATOM 1012 CZ TYR A 93 -25.628 17.406 21.729 1.00 0.00 C ATOM 1013 OH TYR A 93 -25.480 17.138 23.069 1.00 0.00 O ATOM 0 H TYR A 93 -26.133 19.789 15.472 1.00 0.00 H new ATOM 0 HA TYR A 93 -28.118 19.024 17.508 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -26.347 17.411 17.023 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -25.119 18.651 17.181 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -27.525 16.556 19.082 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -24.306 19.331 19.331 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -27.250 16.039 21.472 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -24.045 18.829 21.706 1.00 0.00 H new ATOM 0 HH TYR A 93 -24.744 17.675 23.431 1.00 0.00 H new ATOM 1023 N VAL A 94 -27.653 20.920 18.992 1.00 0.00 N ATOM 1024 CA VAL A 94 -27.477 22.081 19.827 1.00 0.00 C ATOM 1025 C VAL A 94 -26.512 21.732 20.942 1.00 0.00 C ATOM 1026 O VAL A 94 -26.931 21.042 21.893 1.00 0.00 O ATOM 1027 CB VAL A 94 -28.818 22.585 20.430 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -28.604 23.860 21.242 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -29.849 22.819 19.337 1.00 0.00 C ATOM 0 H VAL A 94 -28.446 20.332 19.248 1.00 0.00 H new ATOM 0 HA VAL A 94 -27.082 22.888 19.210 1.00 0.00 H new ATOM 0 HB VAL A 94 -29.196 21.812 21.099 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -29.557 24.193 21.654 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -27.907 23.660 22.056 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -28.196 24.638 20.597 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -30.779 23.171 19.783 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -29.475 23.568 18.639 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -30.033 21.886 18.804 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 3.036 1.827 3.360 1.00 0.00 ZN