USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 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= -0.204 X(o=-0.2,f=-0.0038) USER MOD Single : A 43 HIS : no HD1:sc= -0.736 X(o=-0.74,f=-0.9) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 83:sc= 0.985 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= -0.0012 (180deg=-0.0696) USER MOD Single : A 60 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 64 SER OG : rot 85:sc= 0.00605 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.871) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.757 K(o=0.76,f=-5.7!) USER MOD Single : A 75 SER OG : rot -31:sc= 0.548 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 58:sc= 1.63 USER MOD Single : A 81 GLN : amide:sc= 0.798 K(o=0.8,f=-0.51) USER MOD Single : A 90 MET CE :methyl 179:sc= -0.548 (180deg=-0.562) 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 31.910 1.560 1.758 1.00 0.00 N ATOM 2 CA ASP A 28 32.214 0.262 2.349 1.00 0.00 C ATOM 3 C ASP A 28 32.314 -0.778 1.256 1.00 0.00 C ATOM 4 O ASP A 28 31.436 -0.837 0.379 1.00 0.00 O ATOM 5 CB ASP A 28 31.133 -0.125 3.360 1.00 0.00 C ATOM 6 CG ASP A 28 31.382 -1.451 4.027 1.00 0.00 C ATOM 7 OD1 ASP A 28 32.366 -1.567 4.790 1.00 0.00 O ATOM 8 OD2 ASP A 28 30.570 -2.367 3.857 1.00 0.00 O ATOM 0 HA ASP A 28 33.168 0.319 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 28 31.067 0.650 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 28 30.168 -0.157 2.854 1.00 0.00 H new ATOM 13 N PRO A 29 33.398 -1.583 1.244 1.00 0.00 N ATOM 14 CA PRO A 29 33.586 -2.623 0.239 1.00 0.00 C ATOM 15 C PRO A 29 32.486 -3.670 0.304 1.00 0.00 C ATOM 16 O PRO A 29 32.150 -4.163 1.385 1.00 0.00 O ATOM 17 CB PRO A 29 34.928 -3.265 0.599 1.00 0.00 C ATOM 18 CG PRO A 29 35.606 -2.293 1.498 1.00 0.00 C ATOM 19 CD PRO A 29 34.521 -1.537 2.201 1.00 0.00 C ATOM 0 HA PRO A 29 33.561 -2.211 -0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 34.783 -4.224 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 29 35.524 -3.455 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 29 36.247 -2.808 2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 29 36.244 -1.617 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 29 34.258 -2.001 3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 29 34.822 -0.512 2.419 1.00 0.00 H new ATOM 27 N ASN A 30 31.961 -4.008 -0.860 1.00 0.00 N ATOM 28 CA ASN A 30 30.883 -4.968 -1.028 1.00 0.00 C ATOM 29 C ASN A 30 29.659 -4.643 -0.158 1.00 0.00 C ATOM 30 O ASN A 30 29.474 -5.202 0.928 1.00 0.00 O ATOM 31 CB ASN A 30 31.405 -6.391 -0.810 1.00 0.00 C ATOM 32 CG ASN A 30 30.350 -7.491 -0.933 1.00 0.00 C ATOM 33 OD1 ASN A 30 30.111 -8.008 -2.015 1.00 0.00 O ATOM 34 ND2 ASN A 30 29.747 -7.880 0.158 1.00 0.00 N ATOM 0 H ASN A 30 32.283 -3.610 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 30 30.526 -4.897 -2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.198 -6.586 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 30 31.855 -6.449 0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 30 29.059 -8.632 0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 30 29.964 -7.432 1.048 1.00 0.00 H new ATOM 41 N ALA A 31 28.881 -3.677 -0.603 1.00 0.00 N ATOM 42 CA ALA A 31 27.665 -3.277 0.079 1.00 0.00 C ATOM 43 C ALA A 31 26.825 -2.372 -0.800 1.00 0.00 C ATOM 44 O ALA A 31 27.026 -1.149 -0.825 1.00 0.00 O ATOM 45 CB ALA A 31 27.964 -2.580 1.408 1.00 0.00 C ATOM 0 H ALA A 31 29.075 -3.145 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 31 27.103 -4.187 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.028 -2.296 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.515 -3.259 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 31 28.563 -1.688 1.224 1.00 0.00 H new ATOM 51 N GLU A 32 25.942 -2.971 -1.578 1.00 0.00 N ATOM 52 CA GLU A 32 25.000 -2.227 -2.370 1.00 0.00 C ATOM 53 C GLU A 32 23.800 -1.873 -1.505 1.00 0.00 C ATOM 54 O GLU A 32 22.989 -1.014 -1.826 1.00 0.00 O ATOM 55 CB GLU A 32 24.563 -3.044 -3.566 1.00 0.00 C ATOM 56 CG GLU A 32 23.872 -4.360 -3.232 1.00 0.00 C ATOM 57 CD GLU A 32 23.422 -5.091 -4.466 1.00 0.00 C ATOM 58 OE1 GLU A 32 22.282 -4.847 -4.933 1.00 0.00 O ATOM 59 OE2 GLU A 32 24.193 -5.907 -5.001 1.00 0.00 O ATOM 0 H GLU A 32 25.864 -3.983 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 32 25.469 -1.313 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.887 -2.440 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.438 -3.257 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.554 -4.993 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.011 -4.165 -2.592 1.00 0.00 H new ATOM 66 N PHE A 33 23.716 -2.577 -0.431 1.00 0.00 N ATOM 67 CA PHE A 33 22.693 -2.432 0.568 1.00 0.00 C ATOM 68 C PHE A 33 23.262 -1.710 1.781 1.00 0.00 C ATOM 69 O PHE A 33 24.485 -1.514 1.880 1.00 0.00 O ATOM 70 CB PHE A 33 22.182 -3.833 0.975 1.00 0.00 C ATOM 71 CG PHE A 33 23.283 -4.786 1.398 1.00 0.00 C ATOM 72 CD1 PHE A 33 23.776 -4.780 2.692 1.00 0.00 C ATOM 73 CD2 PHE A 33 23.832 -5.674 0.485 1.00 0.00 C ATOM 74 CE1 PHE A 33 24.788 -5.637 3.065 1.00 0.00 C ATOM 75 CE2 PHE A 33 24.847 -6.530 0.854 1.00 0.00 C ATOM 76 CZ PHE A 33 25.326 -6.513 2.143 1.00 0.00 C ATOM 0 H PHE A 33 24.389 -3.309 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 33 21.865 -1.848 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 33 21.471 -3.727 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.639 -4.269 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 33 23.362 -4.095 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.459 -5.695 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 33 25.161 -5.624 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 33 25.266 -7.214 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 33 26.121 -7.183 2.434 1.00 0.00 H new ATOM 86 N ASP A 34 22.401 -1.313 2.677 1.00 0.00 N ATOM 87 CA ASP A 34 22.822 -0.697 3.918 1.00 0.00 C ATOM 88 C ASP A 34 22.661 -1.724 5.051 1.00 0.00 C ATOM 89 O ASP A 34 21.650 -2.436 5.103 1.00 0.00 O ATOM 90 CB ASP A 34 21.976 0.542 4.213 1.00 0.00 C ATOM 91 CG ASP A 34 22.475 1.305 5.409 1.00 0.00 C ATOM 92 OD1 ASP A 34 22.258 0.862 6.539 1.00 0.00 O ATOM 93 OD2 ASP A 34 23.115 2.365 5.228 1.00 0.00 O ATOM 0 H ASP A 34 21.390 -1.404 2.574 1.00 0.00 H new ATOM 0 HA ASP A 34 23.864 -0.386 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 21.978 1.196 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.942 0.241 4.383 1.00 0.00 H new ATOM 98 N PRO A 35 23.655 -1.855 5.947 1.00 0.00 N ATOM 99 CA PRO A 35 23.602 -2.831 7.035 1.00 0.00 C ATOM 100 C PRO A 35 22.856 -2.360 8.301 1.00 0.00 C ATOM 101 O PRO A 35 22.790 -3.096 9.292 1.00 0.00 O ATOM 102 CB PRO A 35 25.070 -3.066 7.338 1.00 0.00 C ATOM 103 CG PRO A 35 25.695 -1.729 7.104 1.00 0.00 C ATOM 104 CD PRO A 35 24.936 -1.108 5.954 1.00 0.00 C ATOM 0 HA PRO A 35 23.039 -3.715 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.219 -3.404 8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 35 25.497 -3.828 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.629 -1.106 7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.753 -1.830 6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.778 -0.040 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.472 -1.220 5.011 1.00 0.00 H new ATOM 112 N ASP A 36 22.330 -1.174 8.295 1.00 0.00 N ATOM 113 CA ASP A 36 21.576 -0.697 9.452 1.00 0.00 C ATOM 114 C ASP A 36 20.108 -0.766 9.170 1.00 0.00 C ATOM 115 O ASP A 36 19.285 -1.015 10.069 1.00 0.00 O ATOM 116 CB ASP A 36 21.969 0.731 9.811 1.00 0.00 C ATOM 117 CG ASP A 36 21.180 1.299 10.973 1.00 0.00 C ATOM 118 OD1 ASP A 36 21.428 0.905 12.118 1.00 0.00 O ATOM 119 OD2 ASP A 36 20.287 2.168 10.749 1.00 0.00 O ATOM 0 H ASP A 36 22.398 -0.513 7.521 1.00 0.00 H new ATOM 0 HA ASP A 36 21.812 -1.340 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.031 0.757 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.827 1.369 8.939 1.00 0.00 H new ATOM 124 N LEU A 37 19.777 -0.581 7.930 1.00 0.00 N ATOM 125 CA LEU A 37 18.405 -0.549 7.514 1.00 0.00 C ATOM 126 C LEU A 37 17.899 -1.925 7.120 1.00 0.00 C ATOM 127 O LEU A 37 18.580 -2.665 6.400 1.00 0.00 O ATOM 128 CB LEU A 37 18.167 0.465 6.379 1.00 0.00 C ATOM 129 CG LEU A 37 18.203 1.974 6.736 1.00 0.00 C ATOM 130 CD1 LEU A 37 17.165 2.305 7.785 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.578 2.430 7.186 1.00 0.00 C ATOM 0 H LEU A 37 20.450 -0.447 7.175 1.00 0.00 H new ATOM 0 HA LEU A 37 17.831 -0.218 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.916 0.286 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.195 0.249 5.936 1.00 0.00 H new ATOM 0 HG LEU A 37 17.966 2.519 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.210 3.369 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.173 2.058 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.363 1.727 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.549 3.493 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.876 1.868 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.298 2.257 6.387 1.00 0.00 H new ATOM 143 N PRO A 38 16.701 -2.299 7.612 1.00 0.00 N ATOM 144 CA PRO A 38 16.074 -3.576 7.276 1.00 0.00 C ATOM 145 C PRO A 38 15.849 -3.696 5.777 1.00 0.00 C ATOM 146 O PRO A 38 15.331 -2.770 5.134 1.00 0.00 O ATOM 147 CB PRO A 38 14.728 -3.535 8.014 1.00 0.00 C ATOM 148 CG PRO A 38 14.914 -2.525 9.092 1.00 0.00 C ATOM 149 CD PRO A 38 15.875 -1.513 8.547 1.00 0.00 C ATOM 0 HA PRO A 38 16.692 -4.428 7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.918 -3.252 7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.474 -4.511 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.965 -2.059 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.306 -2.988 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.357 -0.699 8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.478 -1.064 9.337 1.00 0.00 H new ATOM 157 N GLY A 39 16.277 -4.810 5.215 1.00 0.00 N ATOM 158 CA GLY A 39 16.123 -5.028 3.795 1.00 0.00 C ATOM 159 C GLY A 39 17.126 -4.243 3.019 1.00 0.00 C ATOM 160 O GLY A 39 16.913 -3.925 1.844 1.00 0.00 O ATOM 0 H GLY A 39 16.731 -5.572 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.236 -6.089 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.117 -4.743 3.487 1.00 0.00 H new ATOM 164 N GLY A 40 18.207 -3.876 3.700 1.00 0.00 N ATOM 165 CA GLY A 40 19.267 -3.117 3.095 1.00 0.00 C ATOM 166 C GLY A 40 18.850 -1.714 2.800 1.00 0.00 C ATOM 167 O GLY A 40 19.580 -0.971 2.159 1.00 0.00 O ATOM 0 H GLY A 40 18.361 -4.101 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.131 -3.107 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.581 -3.604 2.172 1.00 0.00 H new ATOM 171 N GLY A 41 17.664 -1.352 3.280 1.00 0.00 N ATOM 172 CA GLY A 41 17.092 -0.067 2.986 1.00 0.00 C ATOM 173 C GLY A 41 16.602 0.002 1.550 1.00 0.00 C ATOM 174 O GLY A 41 16.230 1.063 1.060 1.00 0.00 O ATOM 0 H GLY A 41 17.086 -1.944 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.263 0.129 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.835 0.712 3.157 1.00 0.00 H new ATOM 178 N LEU A 42 16.568 -1.156 0.899 1.00 0.00 N ATOM 179 CA LEU A 42 16.256 -1.264 -0.503 1.00 0.00 C ATOM 180 C LEU A 42 14.783 -1.566 -0.750 1.00 0.00 C ATOM 181 O LEU A 42 14.319 -1.511 -1.879 1.00 0.00 O ATOM 182 CB LEU A 42 17.098 -2.380 -1.097 1.00 0.00 C ATOM 183 CG LEU A 42 18.620 -2.240 -0.960 1.00 0.00 C ATOM 184 CD1 LEU A 42 19.317 -3.436 -1.569 1.00 0.00 C ATOM 185 CD2 LEU A 42 19.116 -0.953 -1.599 1.00 0.00 C ATOM 0 H LEU A 42 16.761 -2.053 1.346 1.00 0.00 H new ATOM 0 HA LEU A 42 16.475 -0.305 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.799 -3.318 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.857 -2.461 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 42 18.858 -2.199 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 42 20.396 -3.321 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.997 -4.343 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.061 -3.507 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.198 -0.884 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.862 -0.952 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.644 -0.100 -1.112 1.00 0.00 H new ATOM 197 N HIS A 43 14.063 -1.900 0.290 1.00 0.00 N ATOM 198 CA HIS A 43 12.649 -2.238 0.166 1.00 0.00 C ATOM 199 C HIS A 43 11.886 -1.354 1.083 1.00 0.00 C ATOM 200 O HIS A 43 11.857 -1.578 2.295 1.00 0.00 O ATOM 201 CB HIS A 43 12.367 -3.706 0.528 1.00 0.00 C ATOM 202 CG HIS A 43 13.195 -4.708 -0.222 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.864 -5.173 -1.467 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.344 -5.352 0.122 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.755 -6.053 -1.860 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.664 -6.179 -0.916 1.00 0.00 N ATOM 0 H HIS A 43 14.426 -1.948 1.242 1.00 0.00 H new ATOM 0 HA HIS A 43 12.348 -2.097 -0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.537 -3.842 1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.313 -3.915 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.897 -5.232 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.744 -6.585 -2.800 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.476 -6.795 -0.954 1.00 0.00 H new ATOM 215 N ARG A 44 11.320 -0.326 0.542 1.00 0.00 N ATOM 216 CA ARG A 44 10.621 0.638 1.342 1.00 0.00 C ATOM 217 C ARG A 44 9.250 0.895 0.793 1.00 0.00 C ATOM 218 O ARG A 44 9.015 0.807 -0.417 1.00 0.00 O ATOM 219 CB ARG A 44 11.310 1.979 1.248 1.00 0.00 C ATOM 220 CG ARG A 44 12.804 1.967 1.402 1.00 0.00 C ATOM 221 CD ARG A 44 13.352 3.352 1.138 1.00 0.00 C ATOM 222 NE ARG A 44 14.810 3.420 1.185 1.00 0.00 N ATOM 223 CZ ARG A 44 15.506 4.559 1.137 1.00 0.00 C ATOM 224 NH1 ARG A 44 14.873 5.722 1.011 1.00 0.00 N ATOM 225 NH2 ARG A 44 16.829 4.539 1.211 1.00 0.00 N ATOM 0 H ARG A 44 11.326 -0.127 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 44 10.591 0.240 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.068 2.422 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.892 2.634 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.074 1.644 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.246 1.252 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.012 3.688 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.940 4.043 1.873 1.00 0.00 H new ATOM 0 HE ARG A 44 15.328 2.545 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.855 5.745 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.406 6.591 0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.321 3.651 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.355 5.412 1.174 1.00 0.00 H new ATOM 239 N CYS A 45 8.358 1.181 1.665 1.00 0.00 N ATOM 240 CA CYS A 45 7.116 1.787 1.272 1.00 0.00 C ATOM 241 C CYS A 45 7.325 3.250 1.515 1.00 0.00 C ATOM 242 O CYS A 45 7.515 3.658 2.662 1.00 0.00 O ATOM 243 CB CYS A 45 5.895 1.260 2.064 1.00 0.00 C ATOM 244 SG CYS A 45 4.318 2.193 1.771 1.00 0.00 S ATOM 0 H CYS A 45 8.454 1.009 2.666 1.00 0.00 H new ATOM 0 HA CYS A 45 6.880 1.552 0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.735 0.213 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.128 1.293 3.128 1.00 0.00 H new ATOM 249 N LEU A 46 7.301 4.029 0.479 1.00 0.00 N ATOM 250 CA LEU A 46 7.609 5.447 0.574 1.00 0.00 C ATOM 251 C LEU A 46 6.571 6.180 1.400 1.00 0.00 C ATOM 252 O LEU A 46 6.904 7.072 2.198 1.00 0.00 O ATOM 253 CB LEU A 46 7.736 6.039 -0.820 1.00 0.00 C ATOM 254 CG LEU A 46 8.825 5.433 -1.694 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.789 6.015 -3.092 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.199 5.623 -1.070 1.00 0.00 C ATOM 0 H LEU A 46 7.069 3.713 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 46 8.563 5.567 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.780 5.927 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.924 7.109 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 46 8.631 4.363 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.578 5.564 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.821 5.807 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.943 7.093 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.957 5.180 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.401 6.688 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.226 5.138 -0.094 1.00 0.00 H new ATOM 268 N ALA A 47 5.341 5.759 1.253 1.00 0.00 N ATOM 269 CA ALA A 47 4.222 6.319 1.988 1.00 0.00 C ATOM 270 C ALA A 47 4.325 6.027 3.486 1.00 0.00 C ATOM 271 O ALA A 47 3.660 6.667 4.301 1.00 0.00 O ATOM 272 CB ALA A 47 2.919 5.784 1.441 1.00 0.00 C ATOM 0 H ALA A 47 5.079 5.009 0.613 1.00 0.00 H new ATOM 0 HA ALA A 47 4.250 7.401 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.087 6.211 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.827 6.056 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.902 4.698 1.538 1.00 0.00 H new ATOM 278 N CYS A 48 5.143 5.053 3.853 1.00 0.00 N ATOM 279 CA CYS A 48 5.311 4.726 5.254 1.00 0.00 C ATOM 280 C CYS A 48 6.706 5.012 5.774 1.00 0.00 C ATOM 281 O CYS A 48 6.918 5.000 6.977 1.00 0.00 O ATOM 282 CB CYS A 48 4.853 3.287 5.576 1.00 0.00 C ATOM 283 SG CYS A 48 3.154 3.067 5.305 1.00 0.00 S ATOM 0 H CYS A 48 5.692 4.484 3.209 1.00 0.00 H new ATOM 0 HA CYS A 48 4.649 5.401 5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.412 2.583 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.087 3.057 6.615 1.00 0.00 H new ATOM 288 N ALA A 49 7.657 5.264 4.860 1.00 0.00 N ATOM 289 CA ALA A 49 9.068 5.537 5.214 1.00 0.00 C ATOM 290 C ALA A 49 9.658 4.368 6.026 1.00 0.00 C ATOM 291 O ALA A 49 10.651 4.518 6.756 1.00 0.00 O ATOM 292 CB ALA A 49 9.186 6.859 5.985 1.00 0.00 C ATOM 0 H ALA A 49 7.475 5.285 3.857 1.00 0.00 H new ATOM 0 HA ALA A 49 9.643 5.632 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.231 7.042 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.813 7.675 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.598 6.800 6.901 1.00 0.00 H new ATOM 298 N ARG A 50 9.063 3.200 5.847 1.00 0.00 N ATOM 299 CA ARG A 50 9.462 2.017 6.566 1.00 0.00 C ATOM 300 C ARG A 50 10.220 1.106 5.663 1.00 0.00 C ATOM 301 O ARG A 50 9.910 0.991 4.464 1.00 0.00 O ATOM 302 CB ARG A 50 8.265 1.280 7.181 1.00 0.00 C ATOM 303 CG ARG A 50 7.488 2.083 8.214 1.00 0.00 C ATOM 304 CD ARG A 50 6.325 1.285 8.776 1.00 0.00 C ATOM 305 NE ARG A 50 5.537 2.052 9.754 1.00 0.00 N ATOM 306 CZ ARG A 50 4.395 1.622 10.322 1.00 0.00 C ATOM 307 NH1 ARG A 50 3.937 0.409 10.053 1.00 0.00 N ATOM 308 NH2 ARG A 50 3.736 2.398 11.169 1.00 0.00 N ATOM 0 H ARG A 50 8.290 3.053 5.197 1.00 0.00 H new ATOM 0 HA ARG A 50 10.103 2.333 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.585 0.988 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.621 0.362 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.155 2.377 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.115 3.000 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.676 0.969 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.705 0.380 9.250 1.00 0.00 H new ATOM 0 HE ARG A 50 5.881 2.975 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.450 -0.200 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.072 0.084 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.093 3.327 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.871 2.067 11.597 1.00 0.00 H new ATOM 322 N TYR A 51 11.192 0.476 6.229 1.00 0.00 N ATOM 323 CA TYR A 51 12.068 -0.374 5.549 1.00 0.00 C ATOM 324 C TYR A 51 11.718 -1.802 5.898 1.00 0.00 C ATOM 325 O TYR A 51 11.588 -2.149 7.080 1.00 0.00 O ATOM 326 CB TYR A 51 13.473 -0.053 6.019 1.00 0.00 C ATOM 327 CG TYR A 51 13.874 1.399 5.824 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.636 2.343 6.815 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.482 1.827 4.656 1.00 0.00 C ATOM 330 CE1 TYR A 51 13.991 3.660 6.645 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.843 3.150 4.482 1.00 0.00 C ATOM 332 CZ TYR A 51 14.592 4.059 5.482 1.00 0.00 C ATOM 333 OH TYR A 51 14.949 5.381 5.318 1.00 0.00 O ATOM 0 H TYR A 51 11.395 0.553 7.226 1.00 0.00 H new ATOM 0 HA TYR A 51 11.996 -0.243 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.557 -0.303 7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.178 -0.689 5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.163 2.036 7.736 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.678 1.115 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.796 4.378 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.319 3.467 3.566 1.00 0.00 H new ATOM 0 HH TYR A 51 15.365 5.501 4.439 1.00 0.00 H new ATOM 343 N PHE A 52 11.541 -2.604 4.900 1.00 0.00 N ATOM 344 CA PHE A 52 11.174 -3.980 5.087 1.00 0.00 C ATOM 345 C PHE A 52 12.313 -4.859 4.673 1.00 0.00 C ATOM 346 O PHE A 52 13.039 -4.536 3.730 1.00 0.00 O ATOM 347 CB PHE A 52 9.927 -4.321 4.272 1.00 0.00 C ATOM 348 CG PHE A 52 8.723 -3.492 4.632 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.555 -2.223 4.100 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.763 -3.981 5.497 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.457 -1.460 4.426 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.661 -3.219 5.825 1.00 0.00 C ATOM 353 CZ PHE A 52 6.511 -1.955 5.286 1.00 0.00 C ATOM 0 H PHE A 52 11.646 -2.327 3.924 1.00 0.00 H new ATOM 0 HA PHE A 52 10.949 -4.146 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.147 -4.185 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.687 -5.375 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.296 -1.828 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.876 -4.968 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.341 -0.472 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.916 -3.610 6.502 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.649 -1.357 5.542 1.00 0.00 H new ATOM 363 N ILE A 53 12.463 -5.969 5.359 1.00 0.00 N ATOM 364 CA ILE A 53 13.543 -6.895 5.126 1.00 0.00 C ATOM 365 C ILE A 53 13.525 -7.494 3.719 1.00 0.00 C ATOM 366 O ILE A 53 14.577 -7.804 3.159 1.00 0.00 O ATOM 367 CB ILE A 53 13.530 -8.030 6.163 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.180 -8.776 6.144 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.854 -7.489 7.551 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.092 -9.938 7.102 1.00 0.00 C ATOM 0 H ILE A 53 11.829 -6.256 6.104 1.00 0.00 H new ATOM 0 HA ILE A 53 14.460 -6.314 5.226 1.00 0.00 H new ATOM 0 HB ILE A 53 14.304 -8.751 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.385 -8.068 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.995 -9.140 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.840 -8.306 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.843 -7.030 7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.111 -6.743 7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.109 -10.403 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.861 -10.670 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.242 -9.581 8.121 1.00 0.00 H new ATOM 382 N ASP A 54 12.352 -7.628 3.143 1.00 0.00 N ATOM 383 CA ASP A 54 12.230 -8.265 1.854 1.00 0.00 C ATOM 384 C ASP A 54 11.061 -7.666 1.088 1.00 0.00 C ATOM 385 O ASP A 54 10.131 -7.122 1.702 1.00 0.00 O ATOM 386 CB ASP A 54 12.030 -9.776 2.055 1.00 0.00 C ATOM 387 CG ASP A 54 11.978 -10.543 0.766 1.00 0.00 C ATOM 388 OD1 ASP A 54 13.047 -10.878 0.222 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.866 -10.822 0.281 1.00 0.00 O ATOM 0 H ASP A 54 11.472 -7.305 3.546 1.00 0.00 H new ATOM 0 HA ASP A 54 13.138 -8.101 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.842 -10.165 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.105 -9.943 2.607 1.00 0.00 H new ATOM 394 N SER A 55 11.107 -7.767 -0.233 1.00 0.00 N ATOM 395 CA SER A 55 10.071 -7.239 -1.104 1.00 0.00 C ATOM 396 C SER A 55 8.728 -7.921 -0.821 1.00 0.00 C ATOM 397 O SER A 55 7.684 -7.285 -0.905 1.00 0.00 O ATOM 398 CB SER A 55 10.498 -7.417 -2.584 1.00 0.00 C ATOM 399 OG SER A 55 9.511 -6.967 -3.496 1.00 0.00 O ATOM 0 H SER A 55 11.871 -8.222 -0.733 1.00 0.00 H new ATOM 0 HA SER A 55 9.942 -6.175 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.425 -6.870 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.709 -8.470 -2.773 1.00 0.00 H new ATOM 0 HG SER A 55 9.829 -7.099 -4.414 1.00 0.00 H new ATOM 405 N THR A 56 8.766 -9.193 -0.438 1.00 0.00 N ATOM 406 CA THR A 56 7.563 -9.933 -0.130 1.00 0.00 C ATOM 407 C THR A 56 6.863 -9.314 1.093 1.00 0.00 C ATOM 408 O THR A 56 5.643 -9.164 1.118 1.00 0.00 O ATOM 409 CB THR A 56 7.892 -11.400 0.145 1.00 0.00 C ATOM 410 OG1 THR A 56 8.691 -11.919 -0.938 1.00 0.00 O ATOM 411 CG2 THR A 56 6.631 -12.234 0.280 1.00 0.00 C ATOM 0 H THR A 56 9.627 -9.730 -0.335 1.00 0.00 H new ATOM 0 HA THR A 56 6.894 -9.881 -0.989 1.00 0.00 H new ATOM 0 HB THR A 56 8.441 -11.456 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.630 -11.676 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.900 -13.272 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.030 -11.854 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.056 -12.176 -0.644 1.00 0.00 H new ATOM 419 N ASN A 57 7.652 -8.911 2.077 1.00 0.00 N ATOM 420 CA ASN A 57 7.138 -8.280 3.265 1.00 0.00 C ATOM 421 C ASN A 57 6.573 -6.917 2.958 1.00 0.00 C ATOM 422 O ASN A 57 5.552 -6.511 3.509 1.00 0.00 O ATOM 423 CB ASN A 57 8.221 -8.198 4.339 1.00 0.00 C ATOM 424 CG ASN A 57 8.384 -9.470 5.150 1.00 0.00 C ATOM 425 OD1 ASN A 57 9.242 -10.366 4.718 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 7.734 -9.640 6.174 1.00 0.00 N flip ATOM 0 H ASN A 57 8.667 -9.016 2.067 1.00 0.00 H new ATOM 0 HA ASN A 57 6.323 -8.893 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.172 -7.958 3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.986 -7.376 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.075 -8.926 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.852 -10.496 6.717 1.00 0.00 H new ATOM 433 N LEU A 58 7.223 -6.236 2.063 1.00 0.00 N ATOM 434 CA LEU A 58 6.807 -4.937 1.631 1.00 0.00 C ATOM 435 C LEU A 58 5.484 -5.006 0.851 1.00 0.00 C ATOM 436 O LEU A 58 4.543 -4.270 1.142 1.00 0.00 O ATOM 437 CB LEU A 58 7.975 -4.269 0.851 1.00 0.00 C ATOM 438 CG LEU A 58 7.721 -2.950 0.118 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.054 -3.173 -1.212 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.925 -2.000 0.985 1.00 0.00 C ATOM 0 H LEU A 58 8.070 -6.573 1.606 1.00 0.00 H new ATOM 0 HA LEU A 58 6.587 -4.302 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.788 -4.101 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.334 -4.990 0.116 1.00 0.00 H new ATOM 0 HG LEU A 58 8.688 -2.490 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.890 -2.213 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.692 -3.797 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.096 -3.671 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.756 -1.069 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.966 -2.453 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.479 -1.792 1.901 1.00 0.00 H new ATOM 452 N LYS A 59 5.424 -5.877 -0.117 1.00 0.00 N ATOM 453 CA LYS A 59 4.197 -6.048 -0.920 1.00 0.00 C ATOM 454 C LYS A 59 3.014 -6.564 -0.075 1.00 0.00 C ATOM 455 O LYS A 59 1.867 -6.182 -0.312 1.00 0.00 O ATOM 456 CB LYS A 59 4.433 -6.919 -2.170 1.00 0.00 C ATOM 457 CG LYS A 59 4.832 -8.353 -1.895 1.00 0.00 C ATOM 458 CD LYS A 59 5.150 -9.099 -3.186 1.00 0.00 C ATOM 459 CE LYS A 59 3.933 -9.268 -4.099 1.00 0.00 C ATOM 460 NZ LYS A 59 2.882 -10.111 -3.486 1.00 0.00 N ATOM 0 H LYS A 59 6.195 -6.488 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 59 3.922 -5.055 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.522 -6.921 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.210 -6.453 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.702 -8.371 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.025 -8.862 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.930 -8.562 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.552 -10.082 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.518 -8.287 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.249 -9.714 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.133 -10.294 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.297 -11.014 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.477 -9.618 -2.665 1.00 0.00 H new ATOM 474 N THR A 60 3.298 -7.410 0.919 1.00 0.00 N ATOM 475 CA THR A 60 2.266 -7.899 1.839 1.00 0.00 C ATOM 476 C THR A 60 1.696 -6.719 2.657 1.00 0.00 C ATOM 477 O THR A 60 0.518 -6.694 3.034 1.00 0.00 O ATOM 478 CB THR A 60 2.824 -8.997 2.769 1.00 0.00 C ATOM 479 OG1 THR A 60 3.314 -10.096 1.974 1.00 0.00 O ATOM 480 CG2 THR A 60 1.766 -9.518 3.740 1.00 0.00 C ATOM 0 H THR A 60 4.233 -7.771 1.108 1.00 0.00 H new ATOM 0 HA THR A 60 1.461 -8.345 1.255 1.00 0.00 H new ATOM 0 HB THR A 60 3.630 -8.555 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.284 -10.012 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.203 -10.289 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.406 -8.697 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.933 -9.940 3.178 1.00 0.00 H new ATOM 488 N HIS A 61 2.542 -5.735 2.884 1.00 0.00 N ATOM 489 CA HIS A 61 2.177 -4.517 3.571 1.00 0.00 C ATOM 490 C HIS A 61 1.117 -3.700 2.804 1.00 0.00 C ATOM 491 O HIS A 61 0.321 -2.994 3.410 1.00 0.00 O ATOM 492 CB HIS A 61 3.446 -3.674 3.902 1.00 0.00 C ATOM 493 CG HIS A 61 3.181 -2.221 4.175 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.578 -1.748 5.313 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.366 -1.142 3.381 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.404 -0.452 5.185 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.869 -0.074 4.048 1.00 0.00 N ATOM 0 H HIS A 61 3.519 -5.762 2.591 1.00 0.00 H new ATOM 0 HA HIS A 61 1.707 -4.799 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.938 -4.109 4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.145 -3.752 3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.310 -2.308 6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.823 -1.134 2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.943 0.193 5.919 1.00 0.00 H new ATOM 505 N PHE A 62 1.079 -3.798 1.490 1.00 0.00 N ATOM 506 CA PHE A 62 0.103 -2.999 0.762 1.00 0.00 C ATOM 507 C PHE A 62 -1.225 -3.714 0.694 1.00 0.00 C ATOM 508 O PHE A 62 -2.139 -3.254 0.057 1.00 0.00 O ATOM 509 CB PHE A 62 0.544 -2.620 -0.645 1.00 0.00 C ATOM 510 CG PHE A 62 1.908 -2.043 -0.739 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.264 -0.921 -0.009 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.833 -2.619 -1.568 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.534 -0.400 -0.102 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.091 -2.110 -1.676 1.00 0.00 C ATOM 515 CZ PHE A 62 4.462 -1.001 -0.945 1.00 0.00 C ATOM 0 H PHE A 62 1.681 -4.393 0.921 1.00 0.00 H new ATOM 0 HA PHE A 62 0.007 -2.071 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.497 -3.507 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.167 -1.901 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.539 -0.451 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.561 -3.490 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.808 0.470 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.804 -2.578 -2.339 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.463 -0.604 -1.027 1.00 0.00 H new ATOM 525 N ARG A 63 -1.343 -4.828 1.386 1.00 0.00 N ATOM 526 CA ARG A 63 -2.604 -5.560 1.402 1.00 0.00 C ATOM 527 C ARG A 63 -3.649 -4.873 2.280 1.00 0.00 C ATOM 528 O ARG A 63 -4.753 -5.382 2.468 1.00 0.00 O ATOM 529 CB ARG A 63 -2.405 -7.010 1.786 1.00 0.00 C ATOM 530 CG ARG A 63 -1.601 -7.789 0.764 1.00 0.00 C ATOM 531 CD ARG A 63 -1.408 -9.225 1.188 1.00 0.00 C ATOM 532 NE ARG A 63 -2.684 -9.910 1.411 1.00 0.00 N ATOM 533 CZ ARG A 63 -2.822 -11.223 1.582 1.00 0.00 C ATOM 534 NH1 ARG A 63 -1.767 -12.030 1.483 1.00 0.00 N ATOM 535 NH2 ARG A 63 -4.018 -11.726 1.830 1.00 0.00 N ATOM 0 H ARG A 63 -0.596 -5.247 1.940 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.993 -5.552 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.900 -7.058 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.379 -7.484 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.109 -7.759 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.629 -7.315 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.841 -9.755 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.816 -9.256 2.102 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.529 -9.339 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.847 -11.643 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.880 -13.035 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.828 -11.109 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.131 -12.731 1.962 1.00 0.00 H new ATOM 549 N SER A 64 -3.286 -3.726 2.812 1.00 0.00 N ATOM 550 CA SER A 64 -4.193 -2.889 3.528 1.00 0.00 C ATOM 551 C SER A 64 -4.918 -2.021 2.478 1.00 0.00 C ATOM 552 O SER A 64 -4.318 -1.085 1.911 1.00 0.00 O ATOM 553 CB SER A 64 -3.402 -1.977 4.472 1.00 0.00 C ATOM 554 OG SER A 64 -2.449 -2.715 5.251 1.00 0.00 O ATOM 0 H SER A 64 -2.338 -3.354 2.753 1.00 0.00 H new ATOM 0 HA SER A 64 -4.898 -3.479 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.884 -1.214 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.091 -1.457 5.138 1.00 0.00 H new ATOM 0 HG SER A 64 -1.619 -2.819 4.740 1.00 0.00 H new ATOM 560 N LYS A 65 -6.175 -2.345 2.187 1.00 0.00 N ATOM 561 CA LYS A 65 -6.939 -1.629 1.156 1.00 0.00 C ATOM 562 C LYS A 65 -7.093 -0.132 1.428 1.00 0.00 C ATOM 563 O LYS A 65 -7.113 0.674 0.501 1.00 0.00 O ATOM 564 CB LYS A 65 -8.297 -2.334 0.806 1.00 0.00 C ATOM 565 CG LYS A 65 -9.242 -2.685 1.983 1.00 0.00 C ATOM 566 CD LYS A 65 -9.777 -1.467 2.725 1.00 0.00 C ATOM 567 CE LYS A 65 -10.692 -1.877 3.869 1.00 0.00 C ATOM 568 NZ LYS A 65 -11.166 -0.715 4.655 1.00 0.00 N ATOM 0 H LYS A 65 -6.690 -3.096 2.646 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.327 -1.687 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.843 -1.690 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.070 -3.256 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.083 -3.265 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.708 -3.323 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.945 -0.881 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.322 -0.826 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.550 -2.416 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.161 -2.565 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.786 -1.045 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.350 -0.214 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.696 -0.070 4.035 1.00 0.00 H new ATOM 582 N ASP A 66 -7.134 0.236 2.695 1.00 0.00 N ATOM 583 CA ASP A 66 -7.348 1.628 3.098 1.00 0.00 C ATOM 584 C ASP A 66 -6.115 2.476 2.789 1.00 0.00 C ATOM 585 O ASP A 66 -6.204 3.673 2.517 1.00 0.00 O ATOM 586 CB ASP A 66 -7.692 1.701 4.575 1.00 0.00 C ATOM 587 CG ASP A 66 -8.172 3.074 5.007 1.00 0.00 C ATOM 588 OD1 ASP A 66 -9.395 3.335 4.945 1.00 0.00 O ATOM 589 OD2 ASP A 66 -7.357 3.896 5.438 1.00 0.00 O ATOM 0 H ASP A 66 -7.022 -0.411 3.475 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.186 2.028 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.465 0.965 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.814 1.429 5.160 1.00 0.00 H new ATOM 594 N HIS A 67 -4.975 1.838 2.843 1.00 0.00 N ATOM 595 CA HIS A 67 -3.679 2.483 2.576 1.00 0.00 C ATOM 596 C HIS A 67 -3.595 2.943 1.164 1.00 0.00 C ATOM 597 O HIS A 67 -3.293 4.091 0.898 1.00 0.00 O ATOM 598 CB HIS A 67 -2.545 1.493 2.821 1.00 0.00 C ATOM 599 CG HIS A 67 -1.181 2.004 2.703 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.869 3.297 3.054 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.073 1.319 2.673 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.393 3.362 3.295 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.918 2.189 3.090 1.00 0.00 N ATOM 0 H HIS A 67 -4.900 0.847 3.074 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.591 3.339 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.666 1.080 3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.659 0.667 2.119 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.528 4.074 3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.047 0.286 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.928 4.244 3.615 1.00 0.00 H new ATOM 611 N LYS A 68 -3.857 2.045 0.276 1.00 0.00 N ATOM 612 CA LYS A 68 -3.730 2.303 -1.128 1.00 0.00 C ATOM 613 C LYS A 68 -4.821 3.268 -1.563 1.00 0.00 C ATOM 614 O LYS A 68 -4.658 4.051 -2.485 1.00 0.00 O ATOM 615 CB LYS A 68 -3.775 1.000 -1.852 1.00 0.00 C ATOM 616 CG LYS A 68 -2.731 -0.007 -1.322 1.00 0.00 C ATOM 617 CD LYS A 68 -2.848 -1.325 -2.069 1.00 0.00 C ATOM 618 CE LYS A 68 -4.219 -1.965 -1.841 1.00 0.00 C ATOM 619 NZ LYS A 68 -4.326 -3.277 -2.482 1.00 0.00 N ATOM 0 H LYS A 68 -4.169 1.100 0.501 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.779 2.779 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.772 0.569 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.602 1.172 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.727 0.401 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.882 -0.171 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.694 -1.158 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.065 -2.006 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.397 -2.069 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.996 -1.307 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.300 -3.630 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.082 -3.192 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.672 -3.942 -2.022 1.00 0.00 H new ATOM 633 N LYS A 69 -5.912 3.195 -0.863 1.00 0.00 N ATOM 634 CA LYS A 69 -6.989 4.143 -0.948 1.00 0.00 C ATOM 635 C LYS A 69 -6.471 5.547 -0.626 1.00 0.00 C ATOM 636 O LYS A 69 -6.777 6.514 -1.334 1.00 0.00 O ATOM 637 CB LYS A 69 -8.006 3.716 0.071 1.00 0.00 C ATOM 638 CG LYS A 69 -9.039 4.717 0.476 1.00 0.00 C ATOM 639 CD LYS A 69 -9.817 4.096 1.613 1.00 0.00 C ATOM 640 CE LYS A 69 -10.861 4.983 2.226 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.495 4.277 3.369 1.00 0.00 N ATOM 0 H LYS A 69 -6.086 2.447 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.422 4.171 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.522 2.838 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.472 3.402 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.572 5.651 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.697 4.955 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.300 3.189 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.116 3.794 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.409 5.915 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.614 5.245 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.925 4.973 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.230 3.633 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.774 3.731 3.882 1.00 0.00 H new ATOM 655 N ARG A 70 -5.657 5.657 0.432 1.00 0.00 N ATOM 656 CA ARG A 70 -5.115 6.943 0.814 1.00 0.00 C ATOM 657 C ARG A 70 -4.111 7.400 -0.233 1.00 0.00 C ATOM 658 O ARG A 70 -3.970 8.591 -0.505 1.00 0.00 O ATOM 659 CB ARG A 70 -4.449 6.873 2.191 1.00 0.00 C ATOM 660 CG ARG A 70 -3.982 8.227 2.719 1.00 0.00 C ATOM 661 CD ARG A 70 -5.147 9.204 2.819 1.00 0.00 C ATOM 662 NE ARG A 70 -4.728 10.527 3.265 1.00 0.00 N ATOM 663 CZ ARG A 70 -5.335 11.673 2.923 1.00 0.00 C ATOM 664 NH1 ARG A 70 -6.405 11.656 2.119 1.00 0.00 N ATOM 665 NH2 ARG A 70 -4.874 12.827 3.391 1.00 0.00 N ATOM 0 H ARG A 70 -5.370 4.877 1.023 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.932 7.662 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.151 6.439 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.593 6.200 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.523 8.101 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.216 8.635 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.631 9.288 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.890 8.809 3.512 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.916 10.585 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.762 10.769 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.863 12.530 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.062 12.839 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.332 13.701 3.134 1.00 0.00 H new ATOM 679 N LEU A 71 -3.455 6.436 -0.839 1.00 0.00 N ATOM 680 CA LEU A 71 -2.465 6.686 -1.841 1.00 0.00 C ATOM 681 C LEU A 71 -3.118 7.259 -3.082 1.00 0.00 C ATOM 682 O LEU A 71 -2.574 8.158 -3.725 1.00 0.00 O ATOM 683 CB LEU A 71 -1.739 5.397 -2.186 1.00 0.00 C ATOM 684 CG LEU A 71 -1.014 4.677 -1.044 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.273 3.460 -1.559 1.00 0.00 C ATOM 686 CD2 LEU A 71 -0.069 5.606 -0.315 1.00 0.00 C ATOM 0 H LEU A 71 -3.602 5.446 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.744 7.407 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.464 4.705 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.009 5.618 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.770 4.346 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.234 2.965 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.981 2.769 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.462 3.769 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.428 5.062 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.678 5.986 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.631 6.440 0.105 1.00 0.00 H new ATOM 698 N LYS A 72 -4.287 6.735 -3.401 1.00 0.00 N ATOM 699 CA LYS A 72 -5.078 7.194 -4.523 1.00 0.00 C ATOM 700 C LYS A 72 -5.523 8.641 -4.307 1.00 0.00 C ATOM 701 O LYS A 72 -5.491 9.458 -5.233 1.00 0.00 O ATOM 702 CB LYS A 72 -6.298 6.276 -4.710 1.00 0.00 C ATOM 703 CG LYS A 72 -7.191 6.637 -5.885 1.00 0.00 C ATOM 704 CD LYS A 72 -8.319 5.636 -6.040 1.00 0.00 C ATOM 705 CE LYS A 72 -9.203 5.980 -7.221 1.00 0.00 C ATOM 706 NZ LYS A 72 -10.275 4.982 -7.424 1.00 0.00 N ATOM 0 H LYS A 72 -4.717 5.970 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.468 7.157 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.948 5.252 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.895 6.297 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.604 7.635 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.599 6.667 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.905 4.636 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.917 5.615 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.648 6.963 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.594 6.045 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.855 5.257 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.852 4.048 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.873 4.938 -6.575 1.00 0.00 H new ATOM 720 N GLN A 73 -5.919 8.954 -3.085 1.00 0.00 N ATOM 721 CA GLN A 73 -6.354 10.306 -2.724 1.00 0.00 C ATOM 722 C GLN A 73 -5.178 11.290 -2.758 1.00 0.00 C ATOM 723 O GLN A 73 -5.305 12.414 -3.227 1.00 0.00 O ATOM 724 CB GLN A 73 -6.992 10.305 -1.332 1.00 0.00 C ATOM 725 CG GLN A 73 -8.228 9.424 -1.210 1.00 0.00 C ATOM 726 CD GLN A 73 -8.799 9.401 0.201 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.068 9.544 1.194 1.00 0.00 O ATOM 728 NE2 GLN A 73 -10.092 9.232 0.305 1.00 0.00 N ATOM 0 H GLN A 73 -5.951 8.287 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.094 10.628 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.250 9.973 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.262 11.328 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.992 9.780 -1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.975 8.407 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.661 9.118 -0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.532 9.214 1.225 1.00 0.00 H new ATOM 737 N LEU A 74 -4.039 10.837 -2.279 1.00 0.00 N ATOM 738 CA LEU A 74 -2.836 11.654 -2.189 1.00 0.00 C ATOM 739 C LEU A 74 -2.115 11.778 -3.553 1.00 0.00 C ATOM 740 O LEU A 74 -1.236 12.627 -3.727 1.00 0.00 O ATOM 741 CB LEU A 74 -1.917 11.102 -1.105 1.00 0.00 C ATOM 742 CG LEU A 74 -0.664 11.924 -0.754 1.00 0.00 C ATOM 743 CD1 LEU A 74 -1.048 13.321 -0.285 1.00 0.00 C ATOM 744 CD2 LEU A 74 0.147 11.218 0.323 1.00 0.00 C ATOM 0 H LEU A 74 -3.915 9.884 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.128 12.667 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.505 10.979 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.593 10.108 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.055 12.016 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.147 13.884 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.594 13.834 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.679 13.247 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.030 11.811 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.463 11.100 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.455 10.237 -0.038 1.00 0.00 H new ATOM 756 N SER A 75 -2.469 10.880 -4.489 1.00 0.00 N ATOM 757 CA SER A 75 -1.917 10.840 -5.860 1.00 0.00 C ATOM 758 C SER A 75 -0.502 10.212 -5.869 1.00 0.00 C ATOM 759 O SER A 75 0.287 10.400 -6.808 1.00 0.00 O ATOM 760 CB SER A 75 -1.954 12.255 -6.529 1.00 0.00 C ATOM 761 OG SER A 75 -1.505 12.230 -7.882 1.00 0.00 O ATOM 0 H SER A 75 -3.158 10.148 -4.314 1.00 0.00 H new ATOM 0 HA SER A 75 -2.552 10.195 -6.467 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.972 12.643 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.331 12.941 -5.955 1.00 0.00 H new ATOM 0 HG SER A 75 -0.830 11.528 -7.990 1.00 0.00 H new ATOM 767 N VAL A 76 -0.217 9.411 -4.841 1.00 0.00 N ATOM 768 CA VAL A 76 1.064 8.717 -4.725 1.00 0.00 C ATOM 769 C VAL A 76 1.240 7.748 -5.889 1.00 0.00 C ATOM 770 O VAL A 76 2.200 7.857 -6.668 1.00 0.00 O ATOM 771 CB VAL A 76 1.169 7.937 -3.393 1.00 0.00 C ATOM 772 CG1 VAL A 76 2.490 7.190 -3.295 1.00 0.00 C ATOM 773 CG2 VAL A 76 1.011 8.869 -2.218 1.00 0.00 C ATOM 0 H VAL A 76 -0.862 9.227 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 76 1.851 9.471 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 76 0.362 7.205 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.534 6.652 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.569 6.481 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.315 7.901 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.088 8.302 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.795 9.626 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.036 9.354 -2.267 1.00 0.00 H new ATOM 783 N GLU A 77 0.313 6.816 -6.007 1.00 0.00 N ATOM 784 CA GLU A 77 0.322 5.864 -7.070 1.00 0.00 C ATOM 785 C GLU A 77 -1.102 5.547 -7.560 1.00 0.00 C ATOM 786 O GLU A 77 -1.834 4.781 -6.934 1.00 0.00 O ATOM 787 CB GLU A 77 1.093 4.586 -6.680 1.00 0.00 C ATOM 788 CG GLU A 77 0.660 3.935 -5.370 1.00 0.00 C ATOM 789 CD GLU A 77 1.400 2.647 -5.087 1.00 0.00 C ATOM 790 OE1 GLU A 77 2.580 2.695 -4.703 1.00 0.00 O ATOM 791 OE2 GLU A 77 0.810 1.559 -5.246 1.00 0.00 O ATOM 0 H GLU A 77 -0.466 6.709 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 77 0.854 6.316 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.983 3.857 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.154 4.828 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.827 4.633 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.411 3.734 -5.405 1.00 0.00 H new ATOM 798 N PRO A 78 -1.542 6.210 -8.638 1.00 0.00 N ATOM 799 CA PRO A 78 -2.817 5.898 -9.278 1.00 0.00 C ATOM 800 C PRO A 78 -2.739 4.504 -9.875 1.00 0.00 C ATOM 801 O PRO A 78 -1.816 4.213 -10.647 1.00 0.00 O ATOM 802 CB PRO A 78 -2.943 6.955 -10.389 1.00 0.00 C ATOM 803 CG PRO A 78 -1.966 8.019 -10.024 1.00 0.00 C ATOM 804 CD PRO A 78 -0.854 7.320 -9.301 1.00 0.00 C ATOM 0 HA PRO A 78 -3.667 5.916 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.715 6.529 -11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.957 7.352 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.595 8.531 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.430 8.775 -9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.085 6.966 -9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.363 7.977 -8.583 1.00 0.00 H new ATOM 812 N TYR A 79 -3.692 3.661 -9.514 1.00 0.00 N ATOM 813 CA TYR A 79 -3.715 2.248 -9.888 1.00 0.00 C ATOM 814 C TYR A 79 -2.614 1.495 -9.164 1.00 0.00 C ATOM 815 O TYR A 79 -1.461 1.415 -9.624 1.00 0.00 O ATOM 816 CB TYR A 79 -3.686 2.021 -11.410 1.00 0.00 C ATOM 817 CG TYR A 79 -4.891 2.591 -12.118 1.00 0.00 C ATOM 818 CD1 TYR A 79 -4.896 3.893 -12.583 1.00 0.00 C ATOM 819 CD2 TYR A 79 -6.029 1.825 -12.306 1.00 0.00 C ATOM 820 CE1 TYR A 79 -5.995 4.417 -13.210 1.00 0.00 C ATOM 821 CE2 TYR A 79 -7.135 2.340 -12.937 1.00 0.00 C ATOM 822 CZ TYR A 79 -7.115 3.640 -13.385 1.00 0.00 C ATOM 823 OH TYR A 79 -8.230 4.166 -14.013 1.00 0.00 O ATOM 0 H TYR A 79 -4.489 3.940 -8.942 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.673 1.841 -9.565 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -2.783 2.473 -11.821 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.627 0.951 -11.610 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.018 4.508 -12.449 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.047 0.805 -11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.982 5.437 -13.566 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.014 1.729 -13.080 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.933 3.485 -14.056 1.00 0.00 H new ATOM 833 N SER A 80 -2.969 0.985 -8.016 1.00 0.00 N ATOM 834 CA SER A 80 -2.064 0.331 -7.142 1.00 0.00 C ATOM 835 C SER A 80 -2.261 -1.193 -7.238 1.00 0.00 C ATOM 836 O SER A 80 -2.930 -1.705 -8.170 1.00 0.00 O ATOM 837 CB SER A 80 -2.341 0.841 -5.707 1.00 0.00 C ATOM 838 OG SER A 80 -1.411 0.337 -4.768 1.00 0.00 O ATOM 0 H SER A 80 -3.925 1.020 -7.663 1.00 0.00 H new ATOM 0 HA SER A 80 -1.031 0.549 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.308 1.930 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.348 0.550 -5.409 1.00 0.00 H new ATOM 0 HG SER A 80 -0.504 0.590 -5.038 1.00 0.00 H new ATOM 844 N GLN A 81 -1.701 -1.900 -6.288 1.00 0.00 N ATOM 845 CA GLN A 81 -1.770 -3.337 -6.246 1.00 0.00 C ATOM 846 C GLN A 81 -3.202 -3.756 -5.923 1.00 0.00 C ATOM 847 O GLN A 81 -3.925 -3.017 -5.239 1.00 0.00 O ATOM 848 CB GLN A 81 -0.813 -3.906 -5.196 1.00 0.00 C ATOM 849 CG GLN A 81 -0.700 -5.416 -5.267 1.00 0.00 C ATOM 850 CD GLN A 81 0.139 -6.027 -4.180 1.00 0.00 C ATOM 851 OE1 GLN A 81 0.211 -5.519 -3.060 1.00 0.00 O ATOM 852 NE2 GLN A 81 0.776 -7.116 -4.497 1.00 0.00 N ATOM 0 H GLN A 81 -1.179 -1.488 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.474 -3.731 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.174 -3.465 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.156 -3.617 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.701 -5.846 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.278 -5.692 -6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.688 -7.503 -5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.363 -7.583 -3.806 1.00 0.00 H new ATOM 861 N GLU A 82 -3.593 -4.934 -6.423 1.00 0.00 N ATOM 862 CA GLU A 82 -4.946 -5.503 -6.293 1.00 0.00 C ATOM 863 C GLU A 82 -5.887 -4.868 -7.328 1.00 0.00 C ATOM 864 O GLU A 82 -7.059 -5.217 -7.445 1.00 0.00 O ATOM 865 CB GLU A 82 -5.467 -5.424 -4.833 1.00 0.00 C ATOM 866 CG GLU A 82 -6.834 -6.024 -4.578 1.00 0.00 C ATOM 867 CD GLU A 82 -7.208 -5.954 -3.130 1.00 0.00 C ATOM 868 OE1 GLU A 82 -7.595 -4.872 -2.654 1.00 0.00 O ATOM 869 OE2 GLU A 82 -7.130 -6.992 -2.435 1.00 0.00 O ATOM 0 H GLU A 82 -2.960 -5.539 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.908 -6.569 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.747 -5.924 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.492 -4.376 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.580 -5.496 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.842 -7.063 -4.906 1.00 0.00 H new ATOM 876 N GLU A 83 -5.332 -3.964 -8.106 1.00 0.00 N ATOM 877 CA GLU A 83 -6.059 -3.299 -9.154 1.00 0.00 C ATOM 878 C GLU A 83 -5.287 -3.389 -10.472 1.00 0.00 C ATOM 879 O GLU A 83 -5.770 -3.975 -11.436 1.00 0.00 O ATOM 880 CB GLU A 83 -6.352 -1.854 -8.755 1.00 0.00 C ATOM 881 CG GLU A 83 -7.113 -1.054 -9.790 1.00 0.00 C ATOM 882 CD GLU A 83 -7.500 0.300 -9.277 1.00 0.00 C ATOM 883 OE1 GLU A 83 -6.652 1.188 -9.206 1.00 0.00 O ATOM 884 OE2 GLU A 83 -8.682 0.492 -8.925 1.00 0.00 O ATOM 0 H GLU A 83 -4.358 -3.671 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.017 -3.797 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.922 -1.856 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.408 -1.350 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.500 -0.942 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.009 -1.600 -10.084 1.00 0.00 H new ATOM 891 N ALA A 84 -4.075 -2.850 -10.497 1.00 0.00 N ATOM 892 CA ALA A 84 -3.231 -2.902 -11.703 1.00 0.00 C ATOM 893 C ALA A 84 -2.218 -4.027 -11.578 1.00 0.00 C ATOM 894 O ALA A 84 -1.179 -4.062 -12.255 1.00 0.00 O ATOM 895 CB ALA A 84 -2.556 -1.575 -11.926 1.00 0.00 C ATOM 0 H ALA A 84 -3.648 -2.372 -9.704 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.857 -3.105 -12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.936 -1.628 -12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.311 -0.800 -12.054 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.932 -1.335 -11.065 1.00 0.00 H new ATOM 901 N GLU A 85 -2.579 -4.953 -10.750 1.00 0.00 N ATOM 902 CA GLU A 85 -1.860 -6.109 -10.432 1.00 0.00 C ATOM 903 C GLU A 85 -2.817 -6.912 -9.568 1.00 0.00 C ATOM 904 O GLU A 85 -2.945 -6.661 -8.383 1.00 0.00 O ATOM 905 CB GLU A 85 -0.580 -5.730 -9.675 1.00 0.00 C ATOM 906 CG GLU A 85 0.406 -6.848 -9.511 1.00 0.00 C ATOM 907 CD GLU A 85 0.022 -7.909 -8.504 1.00 0.00 C ATOM 908 OE1 GLU A 85 0.317 -7.733 -7.291 1.00 0.00 O ATOM 909 OE2 GLU A 85 -0.576 -8.927 -8.896 1.00 0.00 O ATOM 0 H GLU A 85 -3.463 -4.900 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.536 -6.678 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.093 -4.909 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.855 -5.358 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.552 -7.326 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.366 -6.423 -9.218 1.00 0.00 H new ATOM 916 N ARG A 86 -3.551 -7.787 -10.180 1.00 0.00 N ATOM 917 CA ARG A 86 -4.584 -8.518 -9.482 1.00 0.00 C ATOM 918 C ARG A 86 -4.444 -10.026 -9.561 1.00 0.00 C ATOM 919 O ARG A 86 -3.953 -10.570 -10.543 1.00 0.00 O ATOM 920 CB ARG A 86 -6.004 -8.020 -9.900 1.00 0.00 C ATOM 921 CG ARG A 86 -6.238 -7.832 -11.417 1.00 0.00 C ATOM 922 CD ARG A 86 -6.149 -9.120 -12.230 1.00 0.00 C ATOM 923 NE ARG A 86 -6.262 -8.850 -13.665 1.00 0.00 N ATOM 924 CZ ARG A 86 -5.972 -9.710 -14.653 1.00 0.00 C ATOM 925 NH1 ARG A 86 -5.609 -10.959 -14.381 1.00 0.00 N ATOM 926 NH2 ARG A 86 -6.055 -9.316 -15.912 1.00 0.00 N ATOM 0 H ARG A 86 -3.460 -8.020 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.449 -8.294 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.741 -8.730 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.195 -7.069 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.222 -7.388 -11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.505 -7.122 -11.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.201 -9.618 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.941 -9.803 -11.922 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.591 -7.924 -13.938 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.548 -11.273 -13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.391 -11.604 -15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.339 -8.361 -16.130 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.835 -9.967 -16.666 1.00 0.00 H new ATOM 940 N ALA A 87 -4.890 -10.680 -8.517 1.00 0.00 N ATOM 941 CA ALA A 87 -4.885 -12.130 -8.398 1.00 0.00 C ATOM 942 C ALA A 87 -6.300 -12.621 -8.659 1.00 0.00 C ATOM 943 O ALA A 87 -6.786 -13.565 -8.036 1.00 0.00 O ATOM 944 CB ALA A 87 -4.440 -12.510 -6.992 1.00 0.00 C ATOM 0 H ALA A 87 -5.279 -10.211 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.199 -12.583 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.433 -13.596 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.437 -12.123 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.131 -12.084 -6.264 1.00 0.00 H new ATOM 950 N ALA A 88 -6.925 -11.995 -9.630 1.00 0.00 N ATOM 951 CA ALA A 88 -8.277 -12.253 -9.981 1.00 0.00 C ATOM 952 C ALA A 88 -8.369 -12.494 -11.463 1.00 0.00 C ATOM 953 O ALA A 88 -8.625 -11.579 -12.262 1.00 0.00 O ATOM 954 CB ALA A 88 -9.182 -11.113 -9.550 1.00 0.00 C ATOM 0 H ALA A 88 -6.484 -11.276 -10.204 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.617 -13.146 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.211 -11.338 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.121 -10.989 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.865 -10.192 -10.039 1.00 0.00 H new ATOM 960 N GLY A 89 -8.031 -13.673 -11.820 1.00 0.00 N ATOM 961 CA GLY A 89 -8.105 -14.121 -13.175 1.00 0.00 C ATOM 962 C GLY A 89 -8.050 -15.623 -13.242 1.00 0.00 C ATOM 963 O GLY A 89 -8.891 -16.297 -12.638 1.00 0.00 O ATOM 0 H GLY A 89 -7.685 -14.379 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.029 -13.765 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.282 -13.696 -13.749 1.00 0.00 H new ATOM 967 N MET A 90 -7.048 -16.135 -13.951 1.00 0.00 N ATOM 968 CA MET A 90 -6.811 -17.571 -14.131 1.00 0.00 C ATOM 969 C MET A 90 -7.999 -18.214 -14.844 1.00 0.00 C ATOM 970 O MET A 90 -9.006 -18.597 -14.224 1.00 0.00 O ATOM 971 CB MET A 90 -6.478 -18.280 -12.781 1.00 0.00 C ATOM 972 CG MET A 90 -5.937 -19.733 -12.869 1.00 0.00 C ATOM 973 SD MET A 90 -7.073 -20.944 -13.601 1.00 0.00 S ATOM 974 CE MET A 90 -6.138 -22.460 -13.391 1.00 0.00 C ATOM 0 H MET A 90 -6.360 -15.553 -14.429 1.00 0.00 H new ATOM 0 HA MET A 90 -5.931 -17.697 -14.762 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.742 -17.675 -12.252 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.381 -18.290 -12.171 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.016 -19.725 -13.452 1.00 0.00 H new ATOM 0 HG3 MET A 90 -5.675 -20.067 -11.865 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.715 -23.300 -13.778 1.00 0.00 H new ATOM 0 HE2 MET A 90 -5.197 -22.385 -13.935 1.00 0.00 H new ATOM 0 HE3 MET A 90 -5.933 -22.618 -12.332 1.00 0.00 H new ATOM 984 N GLY A 91 -7.902 -18.273 -16.135 1.00 0.00 N ATOM 985 CA GLY A 91 -8.921 -18.874 -16.934 1.00 0.00 C ATOM 986 C GLY A 91 -8.338 -19.993 -17.725 1.00 0.00 C ATOM 987 O GLY A 91 -8.223 -19.916 -18.945 1.00 0.00 O ATOM 0 H GLY A 91 -7.112 -17.905 -16.665 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.725 -19.245 -16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.359 -18.132 -17.602 1.00 0.00 H new ATOM 991 N SER A 92 -7.923 -21.017 -17.035 1.00 0.00 N ATOM 992 CA SER A 92 -7.311 -22.142 -17.660 1.00 0.00 C ATOM 993 C SER A 92 -8.169 -23.388 -17.487 1.00 0.00 C ATOM 994 O SER A 92 -8.423 -23.831 -16.363 1.00 0.00 O ATOM 995 CB SER A 92 -5.919 -22.343 -17.080 1.00 0.00 C ATOM 996 OG SER A 92 -5.143 -21.153 -17.255 1.00 0.00 O ATOM 0 H SER A 92 -8.002 -21.090 -16.021 1.00 0.00 H new ATOM 0 HA SER A 92 -7.222 -21.957 -18.731 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.989 -22.590 -16.021 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.428 -23.183 -17.571 1.00 0.00 H new ATOM 0 HG SER A 92 -4.248 -21.287 -16.878 1.00 0.00 H new ATOM 1002 N TYR A 93 -8.645 -23.898 -18.590 1.00 0.00 N ATOM 1003 CA TYR A 93 -9.433 -25.101 -18.628 1.00 0.00 C ATOM 1004 C TYR A 93 -8.604 -26.143 -19.381 1.00 0.00 C ATOM 1005 O TYR A 93 -7.657 -25.769 -20.087 1.00 0.00 O ATOM 1006 CB TYR A 93 -10.763 -24.810 -19.373 1.00 0.00 C ATOM 1007 CG TYR A 93 -11.787 -25.925 -19.325 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -12.692 -26.003 -18.282 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -11.849 -26.891 -20.316 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -13.625 -27.010 -18.219 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -12.782 -27.903 -20.260 1.00 0.00 C ATOM 1012 CZ TYR A 93 -13.666 -27.956 -19.213 1.00 0.00 C ATOM 1013 OH TYR A 93 -14.593 -28.972 -19.152 1.00 0.00 O ATOM 0 H TYR A 93 -8.493 -23.480 -19.508 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.679 -25.463 -17.630 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.209 -23.910 -18.949 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.536 -24.592 -20.416 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.665 -25.257 -17.501 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.156 -26.850 -21.144 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.320 -27.057 -17.394 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.817 -28.652 -21.038 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.490 -29.556 -19.932 1.00 0.00 H new ATOM 1023 N VAL A 94 -8.919 -27.411 -19.214 1.00 0.00 N ATOM 1024 CA VAL A 94 -8.218 -28.481 -19.918 1.00 0.00 C ATOM 1025 C VAL A 94 -8.361 -28.351 -21.453 1.00 0.00 C ATOM 1026 O VAL A 94 -9.478 -28.546 -21.999 1.00 0.00 O ATOM 1027 CB VAL A 94 -8.604 -29.916 -19.401 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -10.097 -30.191 -19.511 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -7.801 -30.992 -20.125 1.00 0.00 C ATOM 0 H VAL A 94 -9.661 -27.734 -18.593 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.161 -28.358 -19.683 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.351 -29.947 -18.341 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.310 -31.194 -19.141 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.646 -29.461 -18.917 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.405 -30.115 -20.554 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.087 -31.974 -19.749 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.004 -30.940 -21.195 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.737 -30.832 -19.950 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.796 1.777 3.456 1.00 0.00 ZN