USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 LYS NZ :NH3+ -134:sc= 2.06 (180deg=0.882) USER MOD Set 1.2: A 4 TYR OH : rot -143:sc= 1.99 USER MOD Set 1.3: A 74 SER OG : rot -70:sc= 1.19 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 136:sc= 0.0301 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 136:sc= 1.15 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.672 K(o=0.67,f=-1.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=-0.035) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.329 K(o=0.33,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.726 (180deg=0.697) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 55 SER OG : rot -76:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 8:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 12.946 -3.110 9.053 1.00 0.00 N ATOM 2 CA MET A 0 14.138 -2.466 8.454 1.00 0.00 C ATOM 3 C MET A 0 14.133 -2.689 6.953 1.00 0.00 C ATOM 4 O MET A 0 13.786 -3.777 6.503 1.00 0.00 O ATOM 5 CB MET A 0 15.428 -2.976 9.115 1.00 0.00 C ATOM 6 CG MET A 0 16.716 -2.314 8.606 1.00 0.00 C ATOM 7 SD MET A 0 17.442 -3.074 7.126 1.00 0.00 S ATOM 8 CE MET A 0 19.066 -2.266 7.150 1.00 0.00 C ATOM 0 H1 MET A 0 13.223 -3.618 9.917 1.00 0.00 H new ATOM 0 H2 MET A 0 12.241 -2.383 9.290 1.00 0.00 H new ATOM 0 H3 MET A 0 12.535 -3.781 8.373 1.00 0.00 H new ATOM 0 HA MET A 0 14.101 -1.392 8.636 1.00 0.00 H new ATOM 0 HB2 MET A 0 15.355 -2.818 10.191 1.00 0.00 H new ATOM 0 HB3 MET A 0 15.501 -4.052 8.955 1.00 0.00 H new ATOM 0 HG2 MET A 0 16.507 -1.266 8.391 1.00 0.00 H new ATOM 0 HG3 MET A 0 17.456 -2.334 9.406 1.00 0.00 H new ATOM 0 HE1 MET A 0 19.658 -2.614 6.304 1.00 0.00 H new ATOM 0 HE2 MET A 0 18.936 -1.186 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 0 19.581 -2.512 8.079 1.00 0.00 H new ATOM 18 N GLY A 1 14.476 -1.666 6.159 1.00 0.00 N ATOM 19 CA GLY A 1 14.255 -1.727 4.717 1.00 0.00 C ATOM 20 C GLY A 1 12.757 -1.772 4.407 1.00 0.00 C ATOM 21 O GLY A 1 12.337 -2.477 3.497 1.00 0.00 O ATOM 0 H GLY A 1 14.901 -0.800 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.706 -0.859 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.745 -2.609 4.305 1.00 0.00 H new ATOM 25 N LYS A 2 11.956 -1.086 5.230 1.00 0.00 N ATOM 26 CA LYS A 2 10.493 -1.132 5.270 1.00 0.00 C ATOM 27 C LYS A 2 9.849 -0.945 3.885 1.00 0.00 C ATOM 28 O LYS A 2 9.841 0.165 3.357 1.00 0.00 O ATOM 29 CB LYS A 2 9.999 -0.105 6.309 1.00 0.00 C ATOM 30 CG LYS A 2 10.341 1.349 5.922 1.00 0.00 C ATOM 31 CD LYS A 2 10.858 2.237 7.053 1.00 0.00 C ATOM 32 CE LYS A 2 9.738 2.997 7.756 1.00 0.00 C ATOM 33 NZ LYS A 2 9.198 4.087 6.927 1.00 0.00 N ATOM 0 H LYS A 2 12.336 -0.446 5.927 1.00 0.00 H new ATOM 0 HA LYS A 2 10.176 -2.128 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.919 -0.201 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.444 -0.332 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.091 1.327 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.448 1.812 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.388 1.622 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.579 2.949 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.935 2.305 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.113 3.408 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.107 4.948 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.842 4.269 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.263 3.814 6.561 1.00 0.00 H new ATOM 47 N ASP A 3 9.328 -2.009 3.271 1.00 0.00 N ATOM 48 CA ASP A 3 8.658 -1.874 1.979 1.00 0.00 C ATOM 49 C ASP A 3 7.261 -1.290 2.186 1.00 0.00 C ATOM 50 O ASP A 3 6.592 -1.588 3.178 1.00 0.00 O ATOM 51 CB ASP A 3 8.547 -3.205 1.214 1.00 0.00 C ATOM 52 CG ASP A 3 9.864 -3.926 0.960 1.00 0.00 C ATOM 53 OD1 ASP A 3 10.642 -3.492 0.081 1.00 0.00 O ATOM 54 OD2 ASP A 3 10.099 -4.999 1.552 1.00 0.00 O ATOM 0 H ASP A 3 9.356 -2.959 3.641 1.00 0.00 H new ATOM 0 HA ASP A 3 9.271 -1.207 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.890 -3.871 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.066 -3.014 0.255 1.00 0.00 H new ATOM 59 N TYR A 4 6.768 -0.538 1.204 1.00 0.00 N ATOM 60 CA TYR A 4 5.379 -0.105 1.096 1.00 0.00 C ATOM 61 C TYR A 4 4.804 -0.827 -0.114 1.00 0.00 C ATOM 62 O TYR A 4 4.007 -1.752 0.043 1.00 0.00 O ATOM 63 CB TYR A 4 5.255 1.425 0.956 1.00 0.00 C ATOM 64 CG TYR A 4 5.648 2.229 2.184 1.00 0.00 C ATOM 65 CD1 TYR A 4 6.980 2.242 2.642 1.00 0.00 C ATOM 66 CD2 TYR A 4 4.682 3.000 2.859 1.00 0.00 C ATOM 67 CE1 TYR A 4 7.329 2.974 3.786 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.018 3.709 4.020 1.00 0.00 C ATOM 69 CZ TYR A 4 6.338 3.666 4.512 1.00 0.00 C ATOM 70 OH TYR A 4 6.657 4.273 5.688 1.00 0.00 O ATOM 0 H TYR A 4 7.347 -0.202 0.434 1.00 0.00 H new ATOM 0 HA TYR A 4 4.827 -0.352 2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.875 1.747 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.223 1.666 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.737 1.685 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.672 3.045 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.358 3.008 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.267 4.287 4.537 1.00 0.00 H new ATOM 0 HH TYR A 4 5.913 4.177 6.318 1.00 0.00 H new ATOM 80 N TYR A 5 5.274 -0.457 -1.311 1.00 0.00 N ATOM 81 CA TYR A 5 4.904 -1.050 -2.587 1.00 0.00 C ATOM 82 C TYR A 5 4.936 -2.575 -2.474 1.00 0.00 C ATOM 83 O TYR A 5 3.909 -3.208 -2.700 1.00 0.00 O ATOM 84 CB TYR A 5 5.822 -0.515 -3.689 1.00 0.00 C ATOM 85 CG TYR A 5 5.266 0.693 -4.411 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.273 1.966 -3.812 1.00 0.00 C ATOM 87 CD2 TYR A 5 4.751 0.535 -5.707 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.833 3.088 -4.538 1.00 0.00 C ATOM 89 CE2 TYR A 5 4.332 1.651 -6.444 1.00 0.00 C ATOM 90 CZ TYR A 5 4.389 2.938 -5.870 1.00 0.00 C ATOM 91 OH TYR A 5 4.032 4.024 -6.607 1.00 0.00 O ATOM 0 H TYR A 5 5.952 0.298 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 5 3.885 -0.771 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.786 -0.254 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.005 -1.308 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.616 2.082 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.677 -0.452 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.835 4.064 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.965 1.525 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 5 3.753 3.735 -7.501 1.00 0.00 H new ATOM 101 N GLN A 6 6.062 -3.178 -2.074 1.00 0.00 N ATOM 102 CA GLN A 6 6.167 -4.637 -2.019 1.00 0.00 C ATOM 103 C GLN A 6 5.380 -5.251 -0.855 1.00 0.00 C ATOM 104 O GLN A 6 4.878 -6.363 -1.007 1.00 0.00 O ATOM 105 CB GLN A 6 7.630 -5.069 -1.935 1.00 0.00 C ATOM 106 CG GLN A 6 7.860 -6.497 -2.448 1.00 0.00 C ATOM 107 CD GLN A 6 9.165 -7.035 -1.881 1.00 0.00 C ATOM 108 OE1 GLN A 6 10.246 -6.580 -2.241 1.00 0.00 O ATOM 109 NE2 GLN A 6 9.102 -7.959 -0.945 1.00 0.00 N ATOM 0 H GLN A 6 6.905 -2.681 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 6 5.724 -5.010 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.242 -4.377 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.965 -5.002 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.030 -7.139 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.895 -6.502 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.197 -8.329 -0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.958 -8.304 -0.511 1.00 0.00 H new ATOM 118 N THR A 7 5.191 -4.546 0.265 1.00 0.00 N ATOM 119 CA THR A 7 4.344 -5.059 1.349 1.00 0.00 C ATOM 120 C THR A 7 2.896 -5.228 0.885 1.00 0.00 C ATOM 121 O THR A 7 2.194 -6.131 1.346 1.00 0.00 O ATOM 122 CB THR A 7 4.455 -4.137 2.581 1.00 0.00 C ATOM 123 OG1 THR A 7 5.798 -4.154 3.011 1.00 0.00 O ATOM 124 CG2 THR A 7 3.587 -4.560 3.770 1.00 0.00 C ATOM 0 H THR A 7 5.606 -3.632 0.445 1.00 0.00 H new ATOM 0 HA THR A 7 4.696 -6.050 1.637 1.00 0.00 H new ATOM 0 HB THR A 7 4.107 -3.153 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.086 -3.241 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.727 -3.857 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.539 -4.565 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.877 -5.559 4.095 1.00 0.00 H new ATOM 132 N LEU A 8 2.480 -4.452 -0.117 1.00 0.00 N ATOM 133 CA LEU A 8 1.192 -4.612 -0.775 1.00 0.00 C ATOM 134 C LEU A 8 1.333 -5.404 -2.091 1.00 0.00 C ATOM 135 O LEU A 8 0.329 -5.826 -2.668 1.00 0.00 O ATOM 136 CB LEU A 8 0.539 -3.223 -0.899 1.00 0.00 C ATOM 137 CG LEU A 8 -1.001 -3.298 -0.918 1.00 0.00 C ATOM 138 CD1 LEU A 8 -1.651 -2.224 -0.042 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.553 -3.159 -2.332 1.00 0.00 C ATOM 0 H LEU A 8 3.038 -3.687 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 8 0.513 -5.225 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.860 -2.598 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.888 -2.740 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.249 -4.281 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.736 -2.322 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.322 -2.348 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.359 -1.237 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.641 -3.217 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.251 -2.198 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.162 -3.963 -2.956 1.00 0.00 H new ATOM 151 N GLY A 9 2.562 -5.695 -2.525 1.00 0.00 N ATOM 152 CA GLY A 9 2.934 -6.631 -3.582 1.00 0.00 C ATOM 153 C GLY A 9 3.155 -5.990 -4.949 1.00 0.00 C ATOM 154 O GLY A 9 2.696 -6.558 -5.941 1.00 0.00 O ATOM 0 H GLY A 9 3.382 -5.248 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.846 -7.149 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.154 -7.387 -3.671 1.00 0.00 H new ATOM 158 N LEU A 10 3.768 -4.807 -5.029 1.00 0.00 N ATOM 159 CA LEU A 10 3.932 -4.018 -6.255 1.00 0.00 C ATOM 160 C LEU A 10 5.358 -3.446 -6.333 1.00 0.00 C ATOM 161 O LEU A 10 6.131 -3.573 -5.377 1.00 0.00 O ATOM 162 CB LEU A 10 2.901 -2.869 -6.264 1.00 0.00 C ATOM 163 CG LEU A 10 1.425 -3.329 -6.223 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.706 -2.687 -5.037 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.676 -3.027 -7.518 1.00 0.00 C ATOM 0 H LEU A 10 4.179 -4.354 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 10 3.768 -4.660 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.090 -2.222 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.056 -2.267 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 10 1.433 -4.413 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.332 -3.018 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.198 -2.982 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.739 -1.602 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.354 -3.372 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.685 -1.953 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.162 -3.541 -8.348 1.00 0.00 H new ATOM 177 N ALA A 11 5.676 -2.762 -7.437 1.00 0.00 N ATOM 178 CA ALA A 11 6.874 -1.948 -7.653 1.00 0.00 C ATOM 179 C ALA A 11 6.493 -0.575 -8.197 1.00 0.00 C ATOM 180 O ALA A 11 5.395 -0.397 -8.731 1.00 0.00 O ATOM 181 CB ALA A 11 7.793 -2.649 -8.653 1.00 0.00 C ATOM 0 H ALA A 11 5.065 -2.763 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 11 7.389 -1.822 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.685 -2.043 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.082 -3.624 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.268 -2.781 -9.599 1.00 0.00 H new ATOM 187 N ARG A 12 7.398 0.404 -8.081 1.00 0.00 N ATOM 188 CA ARG A 12 7.172 1.717 -8.674 1.00 0.00 C ATOM 189 C ARG A 12 7.229 1.532 -10.183 1.00 0.00 C ATOM 190 O ARG A 12 8.270 1.168 -10.729 1.00 0.00 O ATOM 191 CB ARG A 12 8.186 2.771 -8.222 1.00 0.00 C ATOM 192 CG ARG A 12 8.195 3.109 -6.722 1.00 0.00 C ATOM 193 CD ARG A 12 9.146 2.253 -5.874 1.00 0.00 C ATOM 194 NE ARG A 12 10.535 2.274 -6.363 1.00 0.00 N ATOM 195 CZ ARG A 12 11.447 3.254 -6.318 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.160 4.469 -5.870 1.00 0.00 N ATOM 197 NH2 ARG A 12 12.679 3.014 -6.746 1.00 0.00 N ATOM 0 H ARG A 12 8.284 0.309 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 12 6.204 2.095 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.182 2.429 -8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.996 3.689 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.468 4.157 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.183 2.997 -6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.125 2.609 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.787 1.224 -5.863 1.00 0.00 H new ATOM 0 HE ARG A 12 10.851 1.410 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.217 4.683 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.882 5.189 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.924 2.091 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.382 3.752 -6.717 1.00 0.00 H new ATOM 211 N GLY A 13 6.094 1.717 -10.835 1.00 0.00 N ATOM 212 CA GLY A 13 5.864 1.364 -12.225 1.00 0.00 C ATOM 213 C GLY A 13 4.504 0.693 -12.377 1.00 0.00 C ATOM 214 O GLY A 13 3.909 0.749 -13.458 1.00 0.00 O ATOM 0 H GLY A 13 5.275 2.134 -10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.909 2.258 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.650 0.694 -12.573 1.00 0.00 H new ATOM 218 N ALA A 14 3.984 0.107 -11.295 1.00 0.00 N ATOM 219 CA ALA A 14 2.584 -0.242 -11.157 1.00 0.00 C ATOM 220 C ALA A 14 1.749 1.031 -11.292 1.00 0.00 C ATOM 221 O ALA A 14 2.094 2.052 -10.686 1.00 0.00 O ATOM 222 CB ALA A 14 2.383 -0.860 -9.775 1.00 0.00 C ATOM 0 H ALA A 14 4.544 -0.139 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 14 2.278 -0.953 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.335 -1.132 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.003 -1.752 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.667 -0.139 -9.009 1.00 0.00 H new ATOM 228 N SER A 15 0.671 0.985 -12.073 1.00 0.00 N ATOM 229 CA SER A 15 -0.228 2.126 -12.190 1.00 0.00 C ATOM 230 C SER A 15 -1.232 2.107 -11.064 1.00 0.00 C ATOM 231 O SER A 15 -1.342 1.126 -10.325 1.00 0.00 O ATOM 232 CB SER A 15 -0.903 2.138 -13.568 1.00 0.00 C ATOM 233 OG SER A 15 -1.891 1.135 -13.692 1.00 0.00 O ATOM 0 H SER A 15 0.402 0.174 -12.630 1.00 0.00 H new ATOM 0 HA SER A 15 0.345 3.050 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.357 3.114 -13.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.147 1.998 -14.341 1.00 0.00 H new ATOM 0 HG SER A 15 -2.294 1.182 -14.584 1.00 0.00 H new ATOM 239 N ASP A 16 -2.031 3.167 -10.979 1.00 0.00 N ATOM 240 CA ASP A 16 -3.084 3.256 -9.985 1.00 0.00 C ATOM 241 C ASP A 16 -4.045 2.079 -10.118 1.00 0.00 C ATOM 242 O ASP A 16 -4.624 1.635 -9.134 1.00 0.00 O ATOM 243 CB ASP A 16 -3.903 4.543 -10.136 1.00 0.00 C ATOM 244 CG ASP A 16 -3.189 5.762 -9.581 1.00 0.00 C ATOM 245 OD1 ASP A 16 -2.022 5.993 -9.957 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.780 6.510 -8.766 1.00 0.00 O ATOM 0 H ASP A 16 -1.964 3.979 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.594 3.249 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.124 4.706 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.858 4.423 -9.625 1.00 0.00 H new ATOM 251 N GLU A 17 -4.205 1.566 -11.335 1.00 0.00 N ATOM 252 CA GLU A 17 -5.163 0.539 -11.701 1.00 0.00 C ATOM 253 C GLU A 17 -4.604 -0.865 -11.447 1.00 0.00 C ATOM 254 O GLU A 17 -5.329 -1.855 -11.539 1.00 0.00 O ATOM 255 CB GLU A 17 -5.494 0.799 -13.169 1.00 0.00 C ATOM 256 CG GLU A 17 -6.662 -0.020 -13.709 1.00 0.00 C ATOM 257 CD GLU A 17 -7.158 0.516 -15.054 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.462 1.319 -15.724 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.264 0.102 -15.468 1.00 0.00 O ATOM 0 H GLU A 17 -3.641 1.873 -12.127 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.067 0.582 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.720 1.858 -13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.610 0.588 -13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.355 -1.060 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.480 -0.006 -12.988 1.00 0.00 H new ATOM 266 N GLU A 18 -3.318 -0.952 -11.110 1.00 0.00 N ATOM 267 CA GLU A 18 -2.654 -2.112 -10.554 1.00 0.00 C ATOM 268 C GLU A 18 -2.710 -2.012 -9.027 1.00 0.00 C ATOM 269 O GLU A 18 -3.150 -2.926 -8.332 1.00 0.00 O ATOM 270 CB GLU A 18 -1.203 -2.082 -11.057 1.00 0.00 C ATOM 271 CG GLU A 18 -0.615 -3.490 -11.029 1.00 0.00 C ATOM 272 CD GLU A 18 0.830 -3.580 -11.520 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.091 -3.209 -12.687 1.00 0.00 O ATOM 274 OE2 GLU A 18 1.702 -4.122 -10.805 1.00 0.00 O ATOM 0 H GLU A 18 -2.681 -0.164 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.128 -3.046 -10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.169 -1.684 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.606 -1.417 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.664 -3.871 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.236 -4.142 -11.643 1.00 0.00 H new ATOM 281 N ILE A 19 -2.301 -0.851 -8.518 1.00 0.00 N ATOM 282 CA ILE A 19 -2.174 -0.497 -7.118 1.00 0.00 C ATOM 283 C ILE A 19 -3.521 -0.694 -6.427 1.00 0.00 C ATOM 284 O ILE A 19 -3.622 -1.518 -5.522 1.00 0.00 O ATOM 285 CB ILE A 19 -1.559 0.925 -7.046 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.042 0.770 -7.305 1.00 0.00 C ATOM 287 CG2 ILE A 19 -1.859 1.660 -5.738 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.795 2.045 -7.262 1.00 0.00 C ATOM 0 H ILE A 19 -2.031 -0.078 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.493 -1.143 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.018 1.560 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.360 0.075 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.091 0.309 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.397 2.647 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.937 1.767 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.457 1.090 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.839 1.802 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.436 2.742 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.709 2.504 -6.277 1.00 0.00 H new ATOM 300 N LYS A 20 -4.573 -0.003 -6.870 1.00 0.00 N ATOM 301 CA LYS A 20 -5.907 -0.108 -6.278 1.00 0.00 C ATOM 302 C LYS A 20 -6.483 -1.510 -6.460 1.00 0.00 C ATOM 303 O LYS A 20 -7.233 -1.970 -5.599 1.00 0.00 O ATOM 304 CB LYS A 20 -6.847 0.937 -6.891 1.00 0.00 C ATOM 305 CG LYS A 20 -6.441 2.377 -6.529 1.00 0.00 C ATOM 306 CD LYS A 20 -7.148 3.350 -7.474 1.00 0.00 C ATOM 307 CE LYS A 20 -6.772 4.809 -7.205 1.00 0.00 C ATOM 308 NZ LYS A 20 -7.625 5.443 -6.180 1.00 0.00 N ATOM 0 H LYS A 20 -4.523 0.648 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.816 0.083 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.852 0.826 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.865 0.752 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.710 2.595 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.360 2.494 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.896 3.098 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.227 3.232 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.731 4.858 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.847 5.375 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.325 6.429 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.616 5.424 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.536 4.923 -5.284 1.00 0.00 H new ATOM 322 N ARG A 21 -6.121 -2.212 -7.540 1.00 0.00 N ATOM 323 CA ARG A 21 -6.516 -3.603 -7.749 1.00 0.00 C ATOM 324 C ARG A 21 -6.056 -4.410 -6.539 1.00 0.00 C ATOM 325 O ARG A 21 -6.877 -5.047 -5.876 1.00 0.00 O ATOM 326 CB ARG A 21 -5.899 -4.149 -9.051 1.00 0.00 C ATOM 327 CG ARG A 21 -6.849 -4.974 -9.923 1.00 0.00 C ATOM 328 CD ARG A 21 -7.859 -4.101 -10.686 1.00 0.00 C ATOM 329 NE ARG A 21 -8.237 -4.731 -11.961 1.00 0.00 N ATOM 330 CZ ARG A 21 -7.530 -4.665 -13.100 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.471 -3.868 -13.213 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.870 -5.437 -14.123 1.00 0.00 N ATOM 0 H ARG A 21 -5.547 -1.829 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.599 -3.679 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.528 -3.310 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.037 -4.765 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.267 -5.558 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.389 -5.683 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.748 -3.946 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.427 -3.118 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.108 -5.261 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.181 -3.290 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.949 -3.835 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.663 -6.074 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.339 -5.394 -14.993 1.00 0.00 H new ATOM 346 N ALA A 22 -4.759 -4.347 -6.242 1.00 0.00 N ATOM 347 CA ALA A 22 -4.164 -5.003 -5.098 1.00 0.00 C ATOM 348 C ALA A 22 -4.756 -4.485 -3.793 1.00 0.00 C ATOM 349 O ALA A 22 -5.132 -5.306 -2.965 1.00 0.00 O ATOM 350 CB ALA A 22 -2.649 -4.830 -5.146 1.00 0.00 C ATOM 0 H ALA A 22 -4.087 -3.827 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.391 -6.068 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.199 -5.324 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.261 -5.274 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.403 -3.768 -5.125 1.00 0.00 H new ATOM 356 N TYR A 23 -4.858 -3.171 -3.576 1.00 0.00 N ATOM 357 CA TYR A 23 -5.258 -2.567 -2.322 1.00 0.00 C ATOM 358 C TYR A 23 -6.635 -3.062 -1.885 1.00 0.00 C ATOM 359 O TYR A 23 -6.790 -3.506 -0.749 1.00 0.00 O ATOM 360 CB TYR A 23 -5.023 -1.055 -2.496 1.00 0.00 C ATOM 361 CG TYR A 23 -6.084 -0.077 -2.085 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.285 -0.016 -2.820 1.00 0.00 C ATOM 363 CD2 TYR A 23 -5.780 0.920 -1.146 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.201 1.016 -2.611 1.00 0.00 C ATOM 365 CE2 TYR A 23 -6.693 1.953 -0.924 1.00 0.00 C ATOM 366 CZ TYR A 23 -7.884 2.005 -1.667 1.00 0.00 C ATOM 367 OH TYR A 23 -8.710 3.067 -1.476 1.00 0.00 O ATOM 0 H TYR A 23 -4.655 -2.482 -4.300 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.667 -2.868 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.118 -0.802 -1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.812 -0.879 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.499 -0.778 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.849 0.889 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.130 1.053 -3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.484 2.710 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.336 3.652 -0.784 1.00 0.00 H new ATOM 377 N ARG A 24 -7.602 -3.141 -2.801 1.00 0.00 N ATOM 378 CA ARG A 24 -8.945 -3.597 -2.464 1.00 0.00 C ATOM 379 C ARG A 24 -8.926 -5.055 -1.994 1.00 0.00 C ATOM 380 O ARG A 24 -9.554 -5.389 -0.989 1.00 0.00 O ATOM 381 CB ARG A 24 -9.842 -3.363 -3.685 1.00 0.00 C ATOM 382 CG ARG A 24 -11.327 -3.516 -3.352 1.00 0.00 C ATOM 383 CD ARG A 24 -12.177 -3.192 -4.585 1.00 0.00 C ATOM 384 NE ARG A 24 -13.597 -3.173 -4.220 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.516 -4.108 -4.473 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.281 -5.119 -5.302 1.00 0.00 N ATOM 387 NH2 ARG A 24 -15.695 -4.031 -3.872 1.00 0.00 N ATOM 0 H ARG A 24 -7.476 -2.894 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.351 -3.031 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.662 -2.363 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.574 -4.069 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.530 -4.533 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.594 -2.851 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.885 -2.225 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.002 -3.935 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.921 -2.349 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.377 -5.198 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.005 -5.817 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.890 -3.265 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.408 -4.737 -4.055 1.00 0.00 H new ATOM 401 N ARG A 25 -8.177 -5.920 -2.688 1.00 0.00 N ATOM 402 CA ARG A 25 -8.003 -7.321 -2.303 1.00 0.00 C ATOM 403 C ARG A 25 -7.316 -7.404 -0.940 1.00 0.00 C ATOM 404 O ARG A 25 -7.760 -8.149 -0.071 1.00 0.00 O ATOM 405 CB ARG A 25 -7.155 -8.068 -3.350 1.00 0.00 C ATOM 406 CG ARG A 25 -7.742 -8.121 -4.771 1.00 0.00 C ATOM 407 CD ARG A 25 -8.851 -9.165 -4.969 1.00 0.00 C ATOM 408 NE ARG A 25 -8.399 -10.541 -4.686 1.00 0.00 N ATOM 409 CZ ARG A 25 -7.540 -11.282 -5.396 1.00 0.00 C ATOM 410 NH1 ARG A 25 -7.055 -10.834 -6.548 1.00 0.00 N ATOM 411 NH2 ARG A 25 -7.170 -12.478 -4.947 1.00 0.00 N ATOM 0 H ARG A 25 -7.673 -5.664 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.986 -7.788 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.174 -7.596 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.000 -9.089 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.139 -7.137 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.936 -8.329 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.692 -8.923 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.215 -9.111 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.787 -10.979 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.337 -9.918 -6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.401 -11.405 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.541 -12.828 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.515 -13.045 -5.486 1.00 0.00 H new ATOM 425 N GLN A 26 -6.217 -6.670 -0.777 1.00 0.00 N ATOM 426 CA GLN A 26 -5.309 -6.711 0.357 1.00 0.00 C ATOM 427 C GLN A 26 -6.002 -6.250 1.640 1.00 0.00 C ATOM 428 O GLN A 26 -5.810 -6.873 2.681 1.00 0.00 O ATOM 429 CB GLN A 26 -4.074 -5.862 0.001 1.00 0.00 C ATOM 430 CG GLN A 26 -3.110 -6.615 -0.936 1.00 0.00 C ATOM 431 CD GLN A 26 -2.119 -7.498 -0.178 1.00 0.00 C ATOM 432 OE1 GLN A 26 -2.461 -8.152 0.800 1.00 0.00 O ATOM 433 NE2 GLN A 26 -0.874 -7.544 -0.622 1.00 0.00 N ATOM 0 H GLN A 26 -5.923 -5.991 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.988 -7.733 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.395 -4.936 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.549 -5.584 0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.687 -7.232 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.559 -5.894 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.603 -6.994 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.185 -8.129 -0.149 1.00 0.00 H new ATOM 442 N ALA A 27 -6.864 -5.229 1.579 1.00 0.00 N ATOM 443 CA ALA A 27 -7.710 -4.869 2.711 1.00 0.00 C ATOM 444 C ALA A 27 -8.582 -6.053 3.112 1.00 0.00 C ATOM 445 O ALA A 27 -8.597 -6.453 4.275 1.00 0.00 O ATOM 446 CB ALA A 27 -8.590 -3.667 2.370 1.00 0.00 C ATOM 0 H ALA A 27 -6.991 -4.640 0.756 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.065 -4.600 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.212 -3.416 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.960 -2.814 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.227 -3.912 1.520 1.00 0.00 H new ATOM 452 N LEU A 28 -9.310 -6.636 2.155 1.00 0.00 N ATOM 453 CA LEU A 28 -10.223 -7.733 2.412 1.00 0.00 C ATOM 454 C LEU A 28 -9.506 -8.997 2.896 1.00 0.00 C ATOM 455 O LEU A 28 -10.169 -9.915 3.378 1.00 0.00 O ATOM 456 CB LEU A 28 -11.024 -8.019 1.130 1.00 0.00 C ATOM 457 CG LEU A 28 -12.520 -7.719 1.320 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.758 -6.211 1.193 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.372 -8.455 0.287 1.00 0.00 C ATOM 0 H LEU A 28 -9.276 -6.352 1.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.893 -7.437 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.632 -7.414 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.895 -9.063 0.845 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.812 -8.065 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.818 -5.997 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.183 -5.686 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.443 -5.875 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.424 -8.221 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.081 -8.140 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.219 -9.529 0.389 1.00 0.00 H new ATOM 471 N ARG A 29 -8.182 -9.085 2.768 1.00 0.00 N ATOM 472 CA ARG A 29 -7.378 -10.199 3.218 1.00 0.00 C ATOM 473 C ARG A 29 -7.247 -10.230 4.750 1.00 0.00 C ATOM 474 O ARG A 29 -7.000 -11.306 5.296 1.00 0.00 O ATOM 475 CB ARG A 29 -6.009 -10.050 2.530 1.00 0.00 C ATOM 476 CG ARG A 29 -5.256 -11.373 2.427 1.00 0.00 C ATOM 477 CD ARG A 29 -5.334 -12.002 1.030 1.00 0.00 C ATOM 478 NE ARG A 29 -4.599 -11.245 -0.008 1.00 0.00 N ATOM 479 CZ ARG A 29 -3.267 -11.147 -0.144 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.434 -11.687 0.741 1.00 0.00 N ATOM 481 NH2 ARG A 29 -2.747 -10.523 -1.192 1.00 0.00 N ATOM 0 H ARG A 29 -7.628 -8.349 2.330 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.846 -11.147 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.152 -9.639 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.403 -9.334 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.210 -11.210 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.662 -12.073 3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.937 -13.016 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.380 -12.082 0.736 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.165 -10.744 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.803 -12.191 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.426 -11.597 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.360 -10.115 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.734 -10.451 -1.292 1.00 0.00 H new ATOM 495 N TYR A 30 -7.444 -9.096 5.440 1.00 0.00 N ATOM 496 CA TYR A 30 -7.126 -8.963 6.866 1.00 0.00 C ATOM 497 C TYR A 30 -8.005 -7.966 7.638 1.00 0.00 C ATOM 498 O TYR A 30 -7.729 -7.686 8.804 1.00 0.00 O ATOM 499 CB TYR A 30 -5.667 -8.480 6.978 1.00 0.00 C ATOM 500 CG TYR A 30 -4.627 -9.384 6.359 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.382 -10.637 6.933 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.929 -8.998 5.202 1.00 0.00 C ATOM 503 CE1 TYR A 30 -3.483 -11.519 6.327 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.992 -9.864 4.607 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.788 -11.146 5.160 1.00 0.00 C ATOM 506 OH TYR A 30 -1.955 -12.043 4.568 1.00 0.00 O ATOM 0 H TYR A 30 -7.828 -8.248 5.024 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.304 -9.942 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.592 -7.498 6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.427 -8.350 8.033 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.887 -10.922 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.113 -8.028 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.320 -12.496 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.435 -9.550 3.736 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.550 -11.638 3.773 1.00 0.00 H new ATOM 516 N HIS A 31 -9.014 -7.383 6.994 1.00 0.00 N ATOM 517 CA HIS A 31 -9.841 -6.303 7.508 1.00 0.00 C ATOM 518 C HIS A 31 -10.380 -6.706 8.892 1.00 0.00 C ATOM 519 O HIS A 31 -11.067 -7.729 8.980 1.00 0.00 O ATOM 520 CB HIS A 31 -11.013 -6.078 6.529 1.00 0.00 C ATOM 521 CG HIS A 31 -11.304 -4.652 6.147 1.00 0.00 C ATOM 522 ND1 HIS A 31 -11.601 -3.579 6.965 1.00 0.00 N ATOM 523 CD2 HIS A 31 -11.384 -4.220 4.853 1.00 0.00 C ATOM 524 CE1 HIS A 31 -11.840 -2.527 6.161 1.00 0.00 C ATOM 525 NE2 HIS A 31 -11.726 -2.871 4.868 1.00 0.00 N ATOM 0 H HIS A 31 -9.287 -7.668 6.053 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.262 -5.384 7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.809 -6.641 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.914 -6.503 6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.212 -4.821 3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.091 -1.536 6.510 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.863 -2.265 4.059 1.00 0.00 H new ATOM 533 N PRO A 32 -10.232 -5.881 9.947 1.00 0.00 N ATOM 534 CA PRO A 32 -10.873 -6.089 11.246 1.00 0.00 C ATOM 535 C PRO A 32 -12.397 -5.856 11.169 1.00 0.00 C ATOM 536 O PRO A 32 -13.069 -5.606 12.168 1.00 0.00 O ATOM 537 CB PRO A 32 -10.153 -5.132 12.203 1.00 0.00 C ATOM 538 CG PRO A 32 -9.779 -3.962 11.302 1.00 0.00 C ATOM 539 CD PRO A 32 -9.509 -4.624 9.952 1.00 0.00 C ATOM 0 HA PRO A 32 -10.784 -7.117 11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.800 -4.819 13.023 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.273 -5.595 12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.586 -3.232 11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.900 -3.434 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.842 -3.984 9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.441 -4.792 9.811 1.00 0.00 H new ATOM 547 N ASP A 33 -12.965 -5.934 9.967 1.00 0.00 N ATOM 548 CA ASP A 33 -14.381 -5.871 9.667 1.00 0.00 C ATOM 549 C ASP A 33 -14.824 -7.032 8.766 1.00 0.00 C ATOM 550 O ASP A 33 -15.972 -7.080 8.334 1.00 0.00 O ATOM 551 CB ASP A 33 -14.691 -4.498 9.066 1.00 0.00 C ATOM 552 CG ASP A 33 -16.185 -4.199 9.104 1.00 0.00 C ATOM 553 OD1 ASP A 33 -16.709 -4.036 10.233 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.790 -4.029 8.018 1.00 0.00 O ATOM 0 H ASP A 33 -12.403 -6.051 9.124 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.958 -5.986 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.150 -3.728 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.337 -4.462 8.036 1.00 0.00 H new ATOM 559 N LYS A 34 -13.931 -7.988 8.472 1.00 0.00 N ATOM 560 CA LYS A 34 -14.215 -9.125 7.597 1.00 0.00 C ATOM 561 C LYS A 34 -13.577 -10.375 8.201 1.00 0.00 C ATOM 562 O LYS A 34 -14.251 -11.384 8.391 1.00 0.00 O ATOM 563 CB LYS A 34 -13.676 -8.810 6.185 1.00 0.00 C ATOM 564 CG LYS A 34 -13.601 -10.009 5.225 1.00 0.00 C ATOM 565 CD LYS A 34 -14.991 -10.462 4.759 1.00 0.00 C ATOM 566 CE LYS A 34 -15.560 -9.464 3.742 1.00 0.00 C ATOM 567 NZ LYS A 34 -17.013 -9.259 3.890 1.00 0.00 N ATOM 0 H LYS A 34 -12.980 -7.989 8.842 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.286 -9.307 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.309 -8.045 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.679 -8.381 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.998 -9.741 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.097 -10.839 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.927 -11.453 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.661 -10.542 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.050 -8.507 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.349 -9.821 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.342 -8.576 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.507 -10.164 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.217 -8.892 4.841 1.00 0.00 H new ATOM 581 N ASN A 35 -12.282 -10.316 8.498 1.00 0.00 N ATOM 582 CA ASN A 35 -11.432 -11.363 9.000 1.00 0.00 C ATOM 583 C ASN A 35 -10.885 -10.781 10.286 1.00 0.00 C ATOM 584 O ASN A 35 -9.789 -10.222 10.310 1.00 0.00 O ATOM 585 CB ASN A 35 -10.295 -11.755 8.015 1.00 0.00 C ATOM 586 CG ASN A 35 -10.201 -11.011 6.689 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.394 -9.809 6.582 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.901 -11.695 5.605 1.00 0.00 N ATOM 0 H ASN A 35 -11.763 -9.446 8.378 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.977 -12.296 9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.346 -11.628 8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.398 -12.817 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.835 -11.220 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.735 -12.700 5.666 1.00 0.00 H new ATOM 595 N LYS A 36 -11.620 -10.935 11.389 1.00 0.00 N ATOM 596 CA LYS A 36 -11.106 -10.523 12.692 1.00 0.00 C ATOM 597 C LYS A 36 -10.230 -11.649 13.253 1.00 0.00 C ATOM 598 O LYS A 36 -10.269 -11.964 14.445 1.00 0.00 O ATOM 599 CB LYS A 36 -12.229 -10.085 13.636 1.00 0.00 C ATOM 600 CG LYS A 36 -13.029 -8.893 13.088 1.00 0.00 C ATOM 601 CD LYS A 36 -14.022 -8.322 14.107 1.00 0.00 C ATOM 602 CE LYS A 36 -15.153 -9.308 14.418 1.00 0.00 C ATOM 603 NZ LYS A 36 -16.093 -8.758 15.412 1.00 0.00 N ATOM 0 H LYS A 36 -12.558 -11.336 11.405 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.482 -9.636 12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.904 -10.924 13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.803 -9.818 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.338 -8.108 12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.571 -9.205 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.494 -8.073 15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.445 -7.394 13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.691 -9.547 13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.731 -10.241 14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.845 -9.451 15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.584 -8.553 16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.514 -7.881 15.044 1.00 0.00 H new ATOM 617 N GLU A 37 -9.503 -12.326 12.369 1.00 0.00 N ATOM 618 CA GLU A 37 -8.629 -13.446 12.612 1.00 0.00 C ATOM 619 C GLU A 37 -7.530 -12.992 13.581 1.00 0.00 C ATOM 620 O GLU A 37 -7.055 -11.854 13.467 1.00 0.00 O ATOM 621 CB GLU A 37 -8.107 -13.868 11.228 1.00 0.00 C ATOM 622 CG GLU A 37 -6.956 -14.879 11.229 1.00 0.00 C ATOM 623 CD GLU A 37 -6.509 -15.282 9.814 1.00 0.00 C ATOM 624 OE1 GLU A 37 -7.135 -14.864 8.812 1.00 0.00 O ATOM 625 OE2 GLU A 37 -5.494 -16.010 9.681 1.00 0.00 O ATOM 0 H GLU A 37 -9.519 -12.075 11.381 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.112 -14.304 13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.936 -14.291 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.780 -12.975 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.107 -14.454 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.264 -15.771 11.775 1.00 0.00 H new ATOM 632 N PRO A 38 -7.119 -13.838 14.541 1.00 0.00 N ATOM 633 CA PRO A 38 -6.065 -13.500 15.484 1.00 0.00 C ATOM 634 C PRO A 38 -4.749 -13.266 14.744 1.00 0.00 C ATOM 635 O PRO A 38 -4.152 -14.199 14.198 1.00 0.00 O ATOM 636 CB PRO A 38 -6.015 -14.638 16.497 1.00 0.00 C ATOM 637 CG PRO A 38 -6.658 -15.818 15.772 1.00 0.00 C ATOM 638 CD PRO A 38 -7.665 -15.155 14.839 1.00 0.00 C ATOM 0 HA PRO A 38 -6.256 -12.567 16.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.990 -14.863 16.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.560 -14.385 17.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.921 -16.400 15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.145 -16.500 16.469 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.798 -15.739 13.928 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.644 -15.075 15.312 1.00 0.00 H new ATOM 646 N GLY A 39 -4.327 -12.004 14.697 1.00 0.00 N ATOM 647 CA GLY A 39 -3.115 -11.548 14.025 1.00 0.00 C ATOM 648 C GLY A 39 -3.347 -11.028 12.602 1.00 0.00 C ATOM 649 O GLY A 39 -2.397 -10.537 11.985 1.00 0.00 O ATOM 0 H GLY A 39 -4.840 -11.244 15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.658 -10.757 14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.401 -12.371 13.988 1.00 0.00 H new ATOM 653 N ALA A 40 -4.574 -11.077 12.061 1.00 0.00 N ATOM 654 CA ALA A 40 -4.871 -10.360 10.820 1.00 0.00 C ATOM 655 C ALA A 40 -4.820 -8.852 11.065 1.00 0.00 C ATOM 656 O ALA A 40 -4.334 -8.126 10.210 1.00 0.00 O ATOM 657 CB ALA A 40 -6.230 -10.765 10.227 1.00 0.00 C ATOM 0 H ALA A 40 -5.359 -11.595 12.456 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.110 -10.634 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.407 -10.207 9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.228 -11.833 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.021 -10.543 10.944 1.00 0.00 H new ATOM 663 N GLU A 41 -5.262 -8.368 12.228 1.00 0.00 N ATOM 664 CA GLU A 41 -5.363 -6.934 12.497 1.00 0.00 C ATOM 665 C GLU A 41 -4.018 -6.224 12.398 1.00 0.00 C ATOM 666 O GLU A 41 -3.939 -5.142 11.828 1.00 0.00 O ATOM 667 CB GLU A 41 -6.028 -6.736 13.860 1.00 0.00 C ATOM 668 CG GLU A 41 -6.041 -5.295 14.401 1.00 0.00 C ATOM 669 CD GLU A 41 -4.805 -4.878 15.217 1.00 0.00 C ATOM 670 OE1 GLU A 41 -4.020 -5.740 15.671 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.684 -3.668 15.521 1.00 0.00 O ATOM 0 H GLU A 41 -5.559 -8.957 13.006 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.982 -6.473 11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.058 -7.088 13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.520 -7.371 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.145 -4.611 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.925 -5.169 15.025 1.00 0.00 H new ATOM 678 N GLU A 42 -2.952 -6.824 12.918 1.00 0.00 N ATOM 679 CA GLU A 42 -1.637 -6.197 12.864 1.00 0.00 C ATOM 680 C GLU A 42 -1.115 -6.205 11.422 1.00 0.00 C ATOM 681 O GLU A 42 -0.487 -5.245 10.982 1.00 0.00 O ATOM 682 CB GLU A 42 -0.709 -6.913 13.848 1.00 0.00 C ATOM 683 CG GLU A 42 0.519 -6.086 14.250 1.00 0.00 C ATOM 684 CD GLU A 42 1.651 -6.060 13.223 1.00 0.00 C ATOM 685 OE1 GLU A 42 2.000 -7.134 12.687 1.00 0.00 O ATOM 686 OE2 GLU A 42 2.282 -4.988 13.059 1.00 0.00 O ATOM 0 H GLU A 42 -2.972 -7.735 13.377 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.689 -5.151 13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.273 -7.169 14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.375 -7.850 13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.200 -5.061 14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.910 -6.479 15.188 1.00 0.00 H new ATOM 693 N LYS A 43 -1.452 -7.251 10.659 1.00 0.00 N ATOM 694 CA LYS A 43 -1.206 -7.373 9.234 1.00 0.00 C ATOM 695 C LYS A 43 -1.901 -6.238 8.485 1.00 0.00 C ATOM 696 O LYS A 43 -1.271 -5.546 7.694 1.00 0.00 O ATOM 697 CB LYS A 43 -1.660 -8.767 8.754 1.00 0.00 C ATOM 698 CG LYS A 43 -0.606 -9.508 7.915 1.00 0.00 C ATOM 699 CD LYS A 43 -0.699 -11.036 8.077 1.00 0.00 C ATOM 700 CE LYS A 43 0.195 -11.618 9.185 1.00 0.00 C ATOM 701 NZ LYS A 43 -0.006 -10.972 10.500 1.00 0.00 N ATOM 0 H LYS A 43 -1.925 -8.068 11.044 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.140 -7.284 9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.913 -9.375 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.570 -8.659 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.733 -9.248 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.389 -9.174 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.735 -11.304 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.433 -11.505 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.003 -12.686 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.240 -11.512 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.549 -11.475 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.306 -9.981 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.014 -11.005 10.753 1.00 0.00 H new ATOM 715 N PHE A 44 -3.186 -6.017 8.766 1.00 0.00 N ATOM 716 CA PHE A 44 -3.982 -4.920 8.235 1.00 0.00 C ATOM 717 C PHE A 44 -3.353 -3.575 8.599 1.00 0.00 C ATOM 718 O PHE A 44 -3.292 -2.684 7.760 1.00 0.00 O ATOM 719 CB PHE A 44 -5.421 -5.026 8.754 1.00 0.00 C ATOM 720 CG PHE A 44 -6.388 -4.020 8.159 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.921 -4.231 6.873 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.800 -2.901 8.910 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.862 -3.329 6.344 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.745 -2.004 8.380 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.273 -2.216 7.095 1.00 0.00 C ATOM 0 H PHE A 44 -3.716 -6.622 9.393 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.005 -4.986 7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.793 -6.030 8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.412 -4.903 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.607 -5.086 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.389 -2.732 9.894 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.270 -3.493 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.065 -1.152 8.961 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.994 -1.524 6.686 1.00 0.00 H new ATOM 735 N LYS A 45 -2.900 -3.410 9.843 1.00 0.00 N ATOM 736 CA LYS A 45 -2.260 -2.192 10.328 1.00 0.00 C ATOM 737 C LYS A 45 -0.966 -1.911 9.567 1.00 0.00 C ATOM 738 O LYS A 45 -0.726 -0.768 9.193 1.00 0.00 O ATOM 739 CB LYS A 45 -2.027 -2.337 11.836 1.00 0.00 C ATOM 740 CG LYS A 45 -1.561 -1.044 12.515 1.00 0.00 C ATOM 741 CD LYS A 45 -1.333 -1.336 14.002 1.00 0.00 C ATOM 742 CE LYS A 45 -1.040 -0.054 14.783 1.00 0.00 C ATOM 743 NZ LYS A 45 -1.033 -0.309 16.237 1.00 0.00 N ATOM 0 H LYS A 45 -2.971 -4.137 10.555 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.906 -1.332 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.951 -2.671 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.283 -3.115 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.642 -0.683 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.308 -0.260 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.214 -1.824 14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.501 -2.031 14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.075 0.350 14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.791 0.700 14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.832 0.577 16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.962 -0.672 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.300 -1.011 16.463 1.00 0.00 H new ATOM 757 N GLU A 46 -0.160 -2.934 9.272 1.00 0.00 N ATOM 758 CA GLU A 46 1.080 -2.774 8.539 1.00 0.00 C ATOM 759 C GLU A 46 0.769 -2.509 7.065 1.00 0.00 C ATOM 760 O GLU A 46 1.371 -1.624 6.454 1.00 0.00 O ATOM 761 CB GLU A 46 1.924 -4.051 8.688 1.00 0.00 C ATOM 762 CG GLU A 46 3.323 -3.760 9.238 1.00 0.00 C ATOM 763 CD GLU A 46 4.457 -4.540 8.563 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.225 -5.655 8.044 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.624 -4.078 8.615 1.00 0.00 O ATOM 0 H GLU A 46 -0.358 -3.898 9.540 1.00 0.00 H new ATOM 0 HA GLU A 46 1.642 -1.929 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.412 -4.747 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.012 -4.542 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.524 -2.694 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.332 -3.984 10.305 1.00 0.00 H new ATOM 772 N ILE A 47 -0.230 -3.204 6.515 1.00 0.00 N ATOM 773 CA ILE A 47 -0.777 -2.890 5.209 1.00 0.00 C ATOM 774 C ILE A 47 -1.207 -1.434 5.186 1.00 0.00 C ATOM 775 O ILE A 47 -0.918 -0.800 4.191 1.00 0.00 O ATOM 776 CB ILE A 47 -1.908 -3.868 4.804 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.247 -5.170 4.304 1.00 0.00 C ATOM 778 CG2 ILE A 47 -2.870 -3.297 3.736 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.276 -6.207 3.862 1.00 0.00 C ATOM 0 H ILE A 47 -0.677 -4.000 6.970 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.005 -3.025 4.452 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.531 -4.050 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.583 -4.941 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.629 -5.590 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.635 -4.037 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.344 -2.393 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.310 -3.057 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.763 -7.105 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.924 -6.458 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.877 -5.800 3.049 1.00 0.00 H new ATOM 791 N ALA A 48 -1.860 -0.883 6.213 1.00 0.00 N ATOM 792 CA ALA A 48 -2.453 0.450 6.177 1.00 0.00 C ATOM 793 C ALA A 48 -1.399 1.539 5.977 1.00 0.00 C ATOM 794 O ALA A 48 -1.690 2.571 5.369 1.00 0.00 O ATOM 795 CB ALA A 48 -3.247 0.707 7.455 1.00 0.00 C ATOM 0 H ALA A 48 -1.992 -1.360 7.105 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.127 0.488 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.685 1.704 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.041 -0.035 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.583 0.635 8.317 1.00 0.00 H new ATOM 801 N GLU A 49 -0.179 1.311 6.461 1.00 0.00 N ATOM 802 CA GLU A 49 0.951 2.191 6.197 1.00 0.00 C ATOM 803 C GLU A 49 1.291 2.173 4.703 1.00 0.00 C ATOM 804 O GLU A 49 1.493 3.223 4.093 1.00 0.00 O ATOM 805 CB GLU A 49 2.138 1.790 7.090 1.00 0.00 C ATOM 806 CG GLU A 49 3.433 2.458 6.616 1.00 0.00 C ATOM 807 CD GLU A 49 4.491 2.626 7.698 1.00 0.00 C ATOM 808 OE1 GLU A 49 4.752 1.701 8.503 1.00 0.00 O ATOM 809 OE2 GLU A 49 5.035 3.755 7.782 1.00 0.00 O ATOM 0 H GLU A 49 0.051 0.509 7.048 1.00 0.00 H new ATOM 0 HA GLU A 49 0.696 3.221 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.934 2.076 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.258 0.707 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.854 1.868 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.192 3.439 6.206 1.00 0.00 H new ATOM 816 N ALA A 50 1.277 0.992 4.089 1.00 0.00 N ATOM 817 CA ALA A 50 1.524 0.853 2.667 1.00 0.00 C ATOM 818 C ALA A 50 0.313 1.363 1.877 1.00 0.00 C ATOM 819 O ALA A 50 0.475 1.974 0.832 1.00 0.00 O ATOM 820 CB ALA A 50 1.827 -0.617 2.361 1.00 0.00 C ATOM 0 H ALA A 50 1.094 0.110 4.567 1.00 0.00 H new ATOM 0 HA ALA A 50 2.384 1.452 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.015 -0.735 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.707 -0.931 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.975 -1.232 2.650 1.00 0.00 H new ATOM 826 N TYR A 51 -0.897 1.165 2.385 1.00 0.00 N ATOM 827 CA TYR A 51 -2.191 1.445 1.782 1.00 0.00 C ATOM 828 C TYR A 51 -2.345 2.928 1.472 1.00 0.00 C ATOM 829 O TYR A 51 -2.945 3.287 0.462 1.00 0.00 O ATOM 830 CB TYR A 51 -3.252 1.010 2.794 1.00 0.00 C ATOM 831 CG TYR A 51 -4.603 0.626 2.270 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.804 -0.694 1.831 1.00 0.00 C ATOM 833 CD2 TYR A 51 -5.678 1.524 2.356 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.085 -1.118 1.462 1.00 0.00 C ATOM 835 CE2 TYR A 51 -6.970 1.094 2.012 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.174 -0.225 1.549 1.00 0.00 C ATOM 837 OH TYR A 51 -8.412 -0.605 1.126 1.00 0.00 O ATOM 0 H TYR A 51 -1.005 0.767 3.318 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.293 0.908 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.855 0.161 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.388 1.823 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.971 -1.380 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.513 2.539 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.240 -2.128 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.807 1.771 2.101 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.044 0.132 1.259 1.00 0.00 H new ATOM 847 N ASP A 52 -1.802 3.783 2.340 1.00 0.00 N ATOM 848 CA ASP A 52 -1.785 5.231 2.166 1.00 0.00 C ATOM 849 C ASP A 52 -1.020 5.613 0.902 1.00 0.00 C ATOM 850 O ASP A 52 -1.528 6.343 0.055 1.00 0.00 O ATOM 851 CB ASP A 52 -1.118 5.855 3.387 1.00 0.00 C ATOM 852 CG ASP A 52 -1.142 7.380 3.363 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.105 7.991 2.842 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.206 7.959 3.956 1.00 0.00 O ATOM 0 H ASP A 52 -1.352 3.478 3.203 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.806 5.598 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.620 5.503 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.084 5.514 3.444 1.00 0.00 H new ATOM 859 N VAL A 53 0.173 5.037 0.727 1.00 0.00 N ATOM 860 CA VAL A 53 0.980 5.199 -0.474 1.00 0.00 C ATOM 861 C VAL A 53 0.189 4.594 -1.622 1.00 0.00 C ATOM 862 O VAL A 53 -0.171 5.298 -2.560 1.00 0.00 O ATOM 863 CB VAL A 53 2.355 4.525 -0.262 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.125 4.260 -1.561 1.00 0.00 C ATOM 865 CG2 VAL A 53 3.211 5.382 0.670 1.00 0.00 C ATOM 0 H VAL A 53 0.607 4.437 1.429 1.00 0.00 H new ATOM 0 HA VAL A 53 1.185 6.245 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 53 2.150 3.550 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.079 3.786 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.540 3.602 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.305 5.204 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.179 4.904 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.356 6.367 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.709 5.487 1.632 1.00 0.00 H new ATOM 875 N LEU A 54 -0.135 3.309 -1.537 1.00 0.00 N ATOM 876 CA LEU A 54 -0.880 2.535 -2.509 1.00 0.00 C ATOM 877 C LEU A 54 -2.346 2.998 -2.665 1.00 0.00 C ATOM 878 O LEU A 54 -3.199 2.220 -3.090 1.00 0.00 O ATOM 879 CB LEU A 54 -0.740 1.053 -2.159 1.00 0.00 C ATOM 880 CG LEU A 54 0.591 0.359 -2.518 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.430 0.962 -3.647 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.487 0.130 -1.307 1.00 0.00 C ATOM 0 H LEU A 54 0.137 2.747 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.455 2.703 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.897 0.944 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.546 0.512 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 54 0.218 -0.586 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.334 0.369 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.851 0.962 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.703 1.986 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.407 -0.361 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.727 1.088 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.969 -0.501 -0.585 1.00 0.00 H new ATOM 894 N SER A 55 -2.657 4.264 -2.381 1.00 0.00 N ATOM 895 CA SER A 55 -3.844 4.917 -2.882 1.00 0.00 C ATOM 896 C SER A 55 -3.611 6.395 -3.203 1.00 0.00 C ATOM 897 O SER A 55 -4.067 6.826 -4.261 1.00 0.00 O ATOM 898 CB SER A 55 -4.992 4.680 -1.917 1.00 0.00 C ATOM 899 OG SER A 55 -4.672 5.020 -0.580 1.00 0.00 O ATOM 0 H SER A 55 -2.079 4.861 -1.790 1.00 0.00 H new ATOM 0 HA SER A 55 -4.114 4.473 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.855 5.264 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.284 3.631 -1.959 1.00 0.00 H new ATOM 0 HG SER A 55 -4.100 4.325 -0.194 1.00 0.00 H new ATOM 905 N ASP A 56 -2.855 7.162 -2.408 1.00 0.00 N ATOM 906 CA ASP A 56 -2.713 8.607 -2.626 1.00 0.00 C ATOM 907 C ASP A 56 -1.628 8.862 -3.679 1.00 0.00 C ATOM 908 O ASP A 56 -0.455 8.570 -3.425 1.00 0.00 O ATOM 909 CB ASP A 56 -2.376 9.353 -1.318 1.00 0.00 C ATOM 910 CG ASP A 56 -2.022 10.837 -1.536 1.00 0.00 C ATOM 911 OD1 ASP A 56 -2.342 11.387 -2.612 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.427 11.467 -0.631 1.00 0.00 O ATOM 0 H ASP A 56 -2.332 6.806 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.668 8.992 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.227 9.286 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.539 8.855 -0.829 1.00 0.00 H new ATOM 917 N PRO A 57 -1.965 9.397 -4.870 1.00 0.00 N ATOM 918 CA PRO A 57 -0.972 9.678 -5.895 1.00 0.00 C ATOM 919 C PRO A 57 0.026 10.749 -5.451 1.00 0.00 C ATOM 920 O PRO A 57 1.170 10.702 -5.884 1.00 0.00 O ATOM 921 CB PRO A 57 -1.757 10.106 -7.135 1.00 0.00 C ATOM 922 CG PRO A 57 -3.027 10.712 -6.547 1.00 0.00 C ATOM 923 CD PRO A 57 -3.280 9.846 -5.316 1.00 0.00 C ATOM 0 HA PRO A 57 -0.363 8.797 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.204 10.831 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.978 9.259 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.889 11.760 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.859 10.668 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.785 10.414 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.921 8.999 -5.559 1.00 0.00 H new ATOM 931 N ARG A 58 -0.332 11.689 -4.567 1.00 0.00 N ATOM 932 CA ARG A 58 0.623 12.682 -4.067 1.00 0.00 C ATOM 933 C ARG A 58 1.580 12.072 -3.050 1.00 0.00 C ATOM 934 O ARG A 58 2.704 12.556 -2.902 1.00 0.00 O ATOM 935 CB ARG A 58 -0.116 13.873 -3.436 1.00 0.00 C ATOM 936 CG ARG A 58 -1.073 14.613 -4.379 1.00 0.00 C ATOM 937 CD ARG A 58 -0.406 14.973 -5.711 1.00 0.00 C ATOM 938 NE ARG A 58 -1.007 16.163 -6.320 1.00 0.00 N ATOM 939 CZ ARG A 58 -0.425 16.931 -7.243 1.00 0.00 C ATOM 940 NH1 ARG A 58 0.786 16.658 -7.720 1.00 0.00 N ATOM 941 NH2 ARG A 58 -1.062 18.006 -7.683 1.00 0.00 N ATOM 0 H ARG A 58 -1.273 11.781 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 58 1.206 13.032 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.681 13.516 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.622 14.582 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.948 13.991 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.428 15.523 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.658 15.146 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.491 14.131 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.944 16.425 -6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.296 15.843 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.205 17.264 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.985 18.237 -7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.629 18.602 -8.388 1.00 0.00 H new ATOM 955 N LYS A 59 1.179 11.006 -2.356 1.00 0.00 N ATOM 956 CA LYS A 59 2.072 10.252 -1.487 1.00 0.00 C ATOM 957 C LYS A 59 2.999 9.444 -2.394 1.00 0.00 C ATOM 958 O LYS A 59 4.218 9.487 -2.224 1.00 0.00 O ATOM 959 CB LYS A 59 1.232 9.360 -0.554 1.00 0.00 C ATOM 960 CG LYS A 59 1.978 8.810 0.664 1.00 0.00 C ATOM 961 CD LYS A 59 1.741 9.598 1.962 1.00 0.00 C ATOM 962 CE LYS A 59 2.326 11.016 1.976 1.00 0.00 C ATOM 963 NZ LYS A 59 2.333 11.580 3.344 1.00 0.00 N ATOM 0 H LYS A 59 0.226 10.644 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 59 2.675 10.897 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.373 9.933 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.843 8.521 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.677 7.774 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.046 8.802 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.667 9.662 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.168 9.037 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.342 10.996 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.742 11.659 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.734 12.539 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.360 11.620 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.910 10.978 3.965 1.00 0.00 H new ATOM 977 N ARG A 60 2.443 8.760 -3.402 1.00 0.00 N ATOM 978 CA ARG A 60 3.236 8.031 -4.385 1.00 0.00 C ATOM 979 C ARG A 60 4.149 8.923 -5.186 1.00 0.00 C ATOM 980 O ARG A 60 5.202 8.436 -5.543 1.00 0.00 O ATOM 981 CB ARG A 60 2.360 7.213 -5.337 1.00 0.00 C ATOM 982 CG ARG A 60 2.035 5.905 -4.628 1.00 0.00 C ATOM 983 CD ARG A 60 0.999 5.056 -5.351 1.00 0.00 C ATOM 984 NE ARG A 60 -0.321 5.711 -5.391 1.00 0.00 N ATOM 985 CZ ARG A 60 -1.039 5.985 -6.487 1.00 0.00 C ATOM 986 NH1 ARG A 60 -0.525 5.794 -7.692 1.00 0.00 N ATOM 987 NH2 ARG A 60 -2.282 6.445 -6.405 1.00 0.00 N ATOM 0 H ARG A 60 1.436 8.700 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 60 3.857 7.352 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.447 7.755 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.882 7.024 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.952 5.326 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.673 6.127 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.337 4.860 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.910 4.091 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.727 5.982 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.425 5.436 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.079 6.005 -8.522 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.710 6.597 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.808 6.646 -7.255 1.00 0.00 H new ATOM 1001 N GLU A 61 3.839 10.190 -5.426 1.00 0.00 N ATOM 1002 CA GLU A 61 4.714 11.078 -6.178 1.00 0.00 C ATOM 1003 C GLU A 61 6.104 11.117 -5.522 1.00 0.00 C ATOM 1004 O GLU A 61 7.130 11.046 -6.197 1.00 0.00 O ATOM 1005 CB GLU A 61 4.054 12.468 -6.217 1.00 0.00 C ATOM 1006 CG GLU A 61 4.685 13.406 -7.245 1.00 0.00 C ATOM 1007 CD GLU A 61 4.248 14.857 -7.037 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.044 15.157 -6.864 1.00 0.00 O ATOM 1009 OE2 GLU A 61 5.136 15.741 -7.035 1.00 0.00 O ATOM 0 H GLU A 61 2.976 10.630 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 61 4.854 10.724 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.994 12.353 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.123 12.923 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.771 13.341 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.408 13.084 -8.249 1.00 0.00 H new ATOM 1016 N ILE A 62 6.143 11.166 -4.188 1.00 0.00 N ATOM 1017 CA ILE A 62 7.383 11.173 -3.421 1.00 0.00 C ATOM 1018 C ILE A 62 8.023 9.776 -3.422 1.00 0.00 C ATOM 1019 O ILE A 62 9.250 9.647 -3.415 1.00 0.00 O ATOM 1020 CB ILE A 62 7.097 11.725 -2.002 1.00 0.00 C ATOM 1021 CG1 ILE A 62 6.547 13.169 -2.132 1.00 0.00 C ATOM 1022 CG2 ILE A 62 8.351 11.678 -1.111 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.349 13.922 -0.816 1.00 0.00 C ATOM 0 H ILE A 62 5.305 11.202 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 62 8.116 11.834 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 62 6.352 11.096 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.229 13.743 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.591 13.129 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.111 12.073 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.691 10.647 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.140 12.281 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.962 14.920 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.640 13.380 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.304 14.004 -0.296 1.00 0.00 H new ATOM 1035 N PHE A 63 7.214 8.721 -3.449 1.00 0.00 N ATOM 1036 CA PHE A 63 7.707 7.354 -3.438 1.00 0.00 C ATOM 1037 C PHE A 63 8.201 6.905 -4.824 1.00 0.00 C ATOM 1038 O PHE A 63 9.033 6.009 -4.936 1.00 0.00 O ATOM 1039 CB PHE A 63 6.585 6.442 -2.925 1.00 0.00 C ATOM 1040 CG PHE A 63 7.105 5.264 -2.142 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.570 4.112 -2.802 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.149 5.342 -0.740 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.055 3.027 -2.055 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.628 4.259 0.008 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.064 3.099 -0.653 1.00 0.00 C ATOM 0 H PHE A 63 6.197 8.794 -3.479 1.00 0.00 H new ATOM 0 HA PHE A 63 8.571 7.291 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.910 7.022 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.000 6.081 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.554 4.062 -3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.813 6.238 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.419 2.142 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.662 4.316 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.410 2.254 -0.077 1.00 0.00 H new ATOM 1055 N ASP A 64 7.677 7.485 -5.898 1.00 0.00 N ATOM 1056 CA ASP A 64 8.078 7.248 -7.275 1.00 0.00 C ATOM 1057 C ASP A 64 9.392 7.970 -7.551 1.00 0.00 C ATOM 1058 O ASP A 64 10.354 7.367 -8.026 1.00 0.00 O ATOM 1059 CB ASP A 64 6.969 7.698 -8.231 1.00 0.00 C ATOM 1060 CG ASP A 64 7.038 7.023 -9.607 1.00 0.00 C ATOM 1061 OD1 ASP A 64 7.822 6.071 -9.821 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.213 7.392 -10.478 1.00 0.00 O ATOM 0 H ASP A 64 6.923 8.168 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 64 8.236 6.182 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.001 7.484 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.029 8.779 -8.361 1.00 0.00 H new ATOM 1067 N ARG A 65 9.470 9.257 -7.173 1.00 0.00 N ATOM 1068 CA ARG A 65 10.646 10.087 -7.363 1.00 0.00 C ATOM 1069 C ARG A 65 11.834 9.553 -6.559 1.00 0.00 C ATOM 1070 O ARG A 65 12.960 9.568 -7.060 1.00 0.00 O ATOM 1071 CB ARG A 65 10.301 11.561 -7.082 1.00 0.00 C ATOM 1072 CG ARG A 65 10.359 12.022 -5.622 1.00 0.00 C ATOM 1073 CD ARG A 65 9.797 13.426 -5.369 1.00 0.00 C ATOM 1074 NE ARG A 65 9.876 13.750 -3.930 1.00 0.00 N ATOM 1075 CZ ARG A 65 9.899 14.969 -3.371 1.00 0.00 C ATOM 1076 NH1 ARG A 65 9.707 16.060 -4.101 1.00 0.00 N ATOM 1077 NH2 ARG A 65 10.119 15.109 -2.069 1.00 0.00 N ATOM 0 H ARG A 65 8.699 9.747 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 65 10.966 10.041 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.981 12.185 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.296 11.751 -7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.808 11.309 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.396 11.995 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.358 14.161 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.762 13.478 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 65 9.918 12.957 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.539 15.980 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.728 16.979 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.272 14.286 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.135 16.040 -1.652 1.00 0.00 H new ATOM 1091 N TYR A 66 11.596 9.158 -5.306 1.00 0.00 N ATOM 1092 CA TYR A 66 12.610 8.663 -4.379 1.00 0.00 C ATOM 1093 C TYR A 66 12.352 7.212 -3.966 1.00 0.00 C ATOM 1094 O TYR A 66 13.151 6.329 -4.282 1.00 0.00 O ATOM 1095 CB TYR A 66 12.687 9.572 -3.143 1.00 0.00 C ATOM 1096 CG TYR A 66 13.005 11.039 -3.385 1.00 0.00 C ATOM 1097 CD1 TYR A 66 13.894 11.449 -4.400 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.433 12.009 -2.544 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.220 12.808 -4.561 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.797 13.355 -2.665 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.705 13.761 -3.658 1.00 0.00 C ATOM 1102 OH TYR A 66 14.098 15.060 -3.719 1.00 0.00 O ATOM 0 H TYR A 66 10.661 9.175 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 66 13.569 8.683 -4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.733 9.514 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.444 9.167 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.329 10.713 -5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.708 11.714 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.861 13.120 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 66 12.377 14.087 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 66 13.640 15.573 -3.021 1.00 0.00 H new ATOM 1112 N GLY A 67 11.274 6.952 -3.226 1.00 0.00 N ATOM 1113 CA GLY A 67 11.015 5.669 -2.575 1.00 0.00 C ATOM 1114 C GLY A 67 10.954 5.871 -1.071 1.00 0.00 C ATOM 1115 O GLY A 67 10.542 6.940 -0.609 1.00 0.00 O ATOM 0 H GLY A 67 10.542 7.642 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.076 5.249 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.800 4.956 -2.826 1.00 0.00 H new ATOM 1119 N GLU A 68 11.355 4.851 -0.312 1.00 0.00 N ATOM 1120 CA GLU A 68 11.376 4.862 1.143 1.00 0.00 C ATOM 1121 C GLU A 68 12.212 6.034 1.661 1.00 0.00 C ATOM 1122 O GLU A 68 11.839 6.655 2.655 1.00 0.00 O ATOM 1123 CB GLU A 68 11.969 3.556 1.698 1.00 0.00 C ATOM 1124 CG GLU A 68 11.185 2.270 1.390 1.00 0.00 C ATOM 1125 CD GLU A 68 11.269 1.766 -0.058 1.00 0.00 C ATOM 1126 OE1 GLU A 68 12.195 2.158 -0.806 1.00 0.00 O ATOM 1127 OE2 GLU A 68 10.425 0.936 -0.464 1.00 0.00 O ATOM 0 H GLU A 68 11.683 3.970 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 68 10.345 4.964 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.979 3.444 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.057 3.653 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.544 1.481 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.137 2.439 1.636 1.00 0.00 H new ATOM 1134 N GLU A 69 13.316 6.366 0.983 1.00 0.00 N ATOM 1135 CA GLU A 69 14.212 7.437 1.412 1.00 0.00 C ATOM 1136 C GLU A 69 13.549 8.808 1.251 1.00 0.00 C ATOM 1137 O GLU A 69 14.048 9.797 1.792 1.00 0.00 O ATOM 1138 CB GLU A 69 15.521 7.385 0.609 1.00 0.00 C ATOM 1139 CG GLU A 69 16.480 6.364 1.226 1.00 0.00 C ATOM 1140 CD GLU A 69 17.734 6.183 0.378 1.00 0.00 C ATOM 1141 OE1 GLU A 69 17.728 5.325 -0.537 1.00 0.00 O ATOM 1142 OE2 GLU A 69 18.764 6.836 0.664 1.00 0.00 O ATOM 0 H GLU A 69 13.610 5.900 0.125 1.00 0.00 H new ATOM 0 HA GLU A 69 14.435 7.290 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.310 7.117 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.987 8.370 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.762 6.689 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.972 5.406 1.333 1.00 0.00 H new ATOM 1149 N GLY A 70 12.421 8.890 0.542 1.00 0.00 N ATOM 1150 CA GLY A 70 11.654 10.108 0.396 1.00 0.00 C ATOM 1151 C GLY A 70 10.532 10.235 1.416 1.00 0.00 C ATOM 1152 O GLY A 70 10.058 11.354 1.628 1.00 0.00 O ATOM 0 H GLY A 70 12.017 8.094 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.322 10.964 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.230 10.145 -0.608 1.00 0.00 H new ATOM 1156 N LEU A 71 10.066 9.126 2.000 1.00 0.00 N ATOM 1157 CA LEU A 71 8.764 9.066 2.647 1.00 0.00 C ATOM 1158 C LEU A 71 8.919 8.959 4.158 1.00 0.00 C ATOM 1159 O LEU A 71 9.282 7.902 4.679 1.00 0.00 O ATOM 1160 CB LEU A 71 7.931 7.903 2.090 1.00 0.00 C ATOM 1161 CG LEU A 71 6.464 8.071 2.540 1.00 0.00 C ATOM 1162 CD1 LEU A 71 5.670 8.879 1.511 1.00 0.00 C ATOM 1163 CD2 LEU A 71 5.796 6.720 2.775 1.00 0.00 C ATOM 0 H LEU A 71 10.585 8.249 2.034 1.00 0.00 H new ATOM 0 HA LEU A 71 8.230 9.991 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.991 7.885 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.327 6.952 2.447 1.00 0.00 H new ATOM 0 HG LEU A 71 6.471 8.615 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.639 8.985 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.118 9.866 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.686 8.362 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.764 6.874 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.810 6.142 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.336 6.177 3.551 1.00 0.00 H new ATOM 1175 N LYS A 72 8.581 10.033 4.869 1.00 0.00 N ATOM 1176 CA LYS A 72 8.586 10.099 6.328 1.00 0.00 C ATOM 1177 C LYS A 72 7.350 9.396 6.924 1.00 0.00 C ATOM 1178 O LYS A 72 6.691 9.926 7.820 1.00 0.00 O ATOM 1179 CB LYS A 72 8.734 11.582 6.739 1.00 0.00 C ATOM 1180 CG LYS A 72 9.552 11.793 8.024 1.00 0.00 C ATOM 1181 CD LYS A 72 8.880 11.228 9.278 1.00 0.00 C ATOM 1182 CE LYS A 72 9.668 11.582 10.531 1.00 0.00 C ATOM 1183 NZ LYS A 72 8.922 11.199 11.741 1.00 0.00 N ATOM 0 H LYS A 72 8.288 10.907 4.432 1.00 0.00 H new ATOM 0 HA LYS A 72 9.433 9.552 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.208 12.129 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.742 12.012 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.529 11.325 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.724 12.860 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.867 11.621 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.796 10.145 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.632 11.073 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.873 12.653 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.477 11.449 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.013 11.703 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.749 10.174 11.732 1.00 0.00 H new ATOM 1197 N GLY A 73 6.987 8.208 6.441 1.00 0.00 N ATOM 1198 CA GLY A 73 6.065 7.346 7.171 1.00 0.00 C ATOM 1199 C GLY A 73 6.864 6.656 8.271 1.00 0.00 C ATOM 1200 O GLY A 73 8.000 6.267 8.011 1.00 0.00 O ATOM 0 H GLY A 73 7.315 7.825 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.249 7.930 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.616 6.611 6.503 1.00 0.00 H new ATOM 1204 N SER A 74 6.282 6.486 9.460 1.00 0.00 N ATOM 1205 CA SER A 74 6.781 5.815 10.674 1.00 0.00 C ATOM 1206 C SER A 74 8.172 6.177 11.234 1.00 0.00 C ATOM 1207 O SER A 74 8.379 5.983 12.433 1.00 0.00 O ATOM 1208 CB SER A 74 6.589 4.293 10.576 1.00 0.00 C ATOM 1209 OG SER A 74 7.067 3.750 9.357 1.00 0.00 O ATOM 0 H SER A 74 5.344 6.855 9.618 1.00 0.00 H new ATOM 0 HA SER A 74 6.141 6.253 11.440 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.105 3.813 11.408 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.530 4.059 10.681 1.00 0.00 H new ATOM 0 HG SER A 74 6.483 4.032 8.622 1.00 0.00 H new ATOM 1215 N GLY A 75 9.112 6.710 10.447 1.00 0.00 N ATOM 1216 CA GLY A 75 10.516 6.829 10.810 1.00 0.00 C ATOM 1217 C GLY A 75 11.030 5.468 11.271 1.00 0.00 C ATOM 1218 O GLY A 75 11.111 4.525 10.474 1.00 0.00 O ATOM 0 H GLY A 75 8.906 7.078 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.096 7.181 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.638 7.566 11.604 1.00 0.00 H new ATOM 1222 N CYS A 76 11.315 5.357 12.564 1.00 0.00 N ATOM 1223 CA CYS A 76 11.407 4.126 13.325 1.00 0.00 C ATOM 1224 C CYS A 76 10.689 4.433 14.626 1.00 0.00 C ATOM 1225 O CYS A 76 9.920 3.570 15.096 1.00 0.00 O ATOM 1226 CB CYS A 76 12.862 3.730 13.589 1.00 0.00 C ATOM 1227 SG CYS A 76 13.690 3.308 12.032 1.00 0.00 S ATOM 0 H CYS A 76 11.499 6.178 13.140 1.00 0.00 H new ATOM 0 HA CYS A 76 10.968 3.285 12.789 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.387 4.551 14.077 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.897 2.880 14.270 1.00 0.00 H new ATOM 0 HG CYS A 76 12.909 3.595 11.033 1.00 0.00 H new TER 1233 CYS A 76