USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 739 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 64 HIS : no HD1:sc= -0.522 K(o=-1,f=-0.075) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.524 X(o=-1,f=-1.3!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 163:sc= -0.0466 (180deg=-0.43) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.0471 X(o=-0.094,f=-0.047) USER MOD Set 3.1: A 14 SER OG : rot 31:sc= 0.407! USER MOD Set 3.2: A 17 SER OG : rot -49:sc= 1.27 USER MOD Set 4.1: A 7 SER OG : rot 50:sc= -3.57! USER MOD Set 4.2: A 25 GLN : amide:sc= -2.4! K(o=-6!,f=-4.6) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -131:sc= -0.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -120:sc= -0.709 USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -5.49! (180deg=-5.68!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.11! K(o=-2.1!,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 0.192 (180deg=0.0291) USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= -3.23! (180deg=-4.6!) USER MOD Single : A 54 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.051) USER MOD Single : A 56 ASN : amide:sc= -0.0327 K(o=-0.033,f=-0.91) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc=-0.00939 (180deg=-0.259) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 136:sc= -1.27 (180deg=-3.13!) USER MOD Single : A 71 TYR OH : rot 82:sc= -3.19! USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 79 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -141:sc= 0.788 USER MOD Single : A 87 THR OG1 : rot -170:sc= -1.82 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.022 USER MOD Single : A 93 MET CE :methyl -153:sc= -0.723 (180deg=-0.912) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.0451 (180deg=-0.388) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 9.747 10.616 -5.365 1.00 0.00 N ATOM 66 CA PRO A 5 10.008 9.141 -5.359 1.00 0.00 C ATOM 67 C PRO A 5 9.276 8.415 -4.226 1.00 0.00 C ATOM 68 O PRO A 5 8.831 9.047 -3.269 1.00 0.00 O ATOM 69 CB PRO A 5 11.526 9.073 -5.192 1.00 0.00 C ATOM 70 CG PRO A 5 12.039 10.281 -5.914 1.00 0.00 C ATOM 71 CD PRO A 5 10.952 11.365 -5.781 1.00 0.00 C ATOM 0 HA PRO A 5 9.645 8.644 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.810 9.089 -4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.931 8.155 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.980 10.621 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.233 10.053 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.228 12.118 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.791 11.887 -6.724 1.00 0.00 H new ATOM 79 N PRO A 6 9.124 7.106 -4.324 1.00 0.00 N ATOM 80 CA PRO A 6 8.409 6.277 -3.310 1.00 0.00 C ATOM 81 C PRO A 6 8.538 6.732 -1.854 1.00 0.00 C ATOM 82 O PRO A 6 9.347 7.596 -1.515 1.00 0.00 O ATOM 83 CB PRO A 6 9.006 4.902 -3.525 1.00 0.00 C ATOM 84 CG PRO A 6 9.099 4.836 -5.000 1.00 0.00 C ATOM 85 CD PRO A 6 9.594 6.229 -5.427 1.00 0.00 C ATOM 0 HA PRO A 6 7.331 6.339 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.982 4.802 -3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.372 4.114 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.791 4.056 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.132 4.606 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.679 6.257 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.175 6.529 -6.387 1.00 0.00 H new ATOM 93 N SER A 7 7.682 6.144 -1.010 1.00 0.00 N ATOM 94 CA SER A 7 7.620 6.480 0.411 1.00 0.00 C ATOM 95 C SER A 7 6.827 5.401 1.171 1.00 0.00 C ATOM 96 O SER A 7 5.943 5.701 1.974 1.00 0.00 O ATOM 97 CB SER A 7 6.953 7.860 0.539 1.00 0.00 C ATOM 98 OG SER A 7 7.838 8.755 1.197 1.00 0.00 O ATOM 0 H SER A 7 7.017 5.425 -1.295 1.00 0.00 H new ATOM 0 HA SER A 7 8.618 6.517 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.697 8.245 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.022 7.775 1.099 1.00 0.00 H new ATOM 0 HG SER A 7 8.719 8.717 0.770 1.00 0.00 H new ATOM 104 N ILE A 8 7.141 4.138 0.893 1.00 0.00 N ATOM 105 CA ILE A 8 6.446 3.016 1.523 1.00 0.00 C ATOM 106 C ILE A 8 7.424 2.031 2.147 1.00 0.00 C ATOM 107 O ILE A 8 8.356 1.556 1.499 1.00 0.00 O ATOM 108 CB ILE A 8 5.616 2.274 0.471 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.641 3.250 -0.221 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.844 1.135 1.144 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.388 3.495 0.616 1.00 0.00 C ATOM 0 H ILE A 8 7.872 3.865 0.236 1.00 0.00 H new ATOM 0 HA ILE A 8 5.807 3.420 2.308 1.00 0.00 H new ATOM 0 HB ILE A 8 6.280 1.857 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.146 4.198 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.355 2.849 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.252 0.605 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.547 0.443 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.182 1.545 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.730 4.188 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.868 2.551 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.671 3.922 1.578 1.00 0.00 H new ATOM 123 N HIS A 9 7.164 1.709 3.406 1.00 0.00 N ATOM 124 CA HIS A 9 7.973 0.747 4.153 1.00 0.00 C ATOM 125 C HIS A 9 7.092 -0.424 4.581 1.00 0.00 C ATOM 126 O HIS A 9 6.136 -0.242 5.337 1.00 0.00 O ATOM 127 CB HIS A 9 8.565 1.429 5.385 1.00 0.00 C ATOM 128 CG HIS A 9 9.582 2.449 4.954 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.287 3.802 4.883 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.893 2.330 4.575 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.400 4.438 4.477 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.409 3.587 4.272 1.00 0.00 N ATOM 0 H HIS A 9 6.390 2.104 3.940 1.00 0.00 H new ATOM 0 HA HIS A 9 8.784 0.379 3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.775 1.909 5.963 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.030 0.688 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.443 1.402 4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.470 5.506 4.334 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.354 3.810 3.960 1.00 0.00 H new ATOM 140 N GLY A 10 7.399 -1.627 4.086 1.00 0.00 N ATOM 141 CA GLY A 10 6.600 -2.811 4.419 1.00 0.00 C ATOM 142 C GLY A 10 7.253 -3.665 5.496 1.00 0.00 C ATOM 143 O GLY A 10 8.468 -3.633 5.691 1.00 0.00 O ATOM 0 H GLY A 10 8.185 -1.806 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.613 -2.497 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.453 -3.412 3.521 1.00 0.00 H new ATOM 147 N GLN A 11 6.419 -4.432 6.192 1.00 0.00 N ATOM 148 CA GLN A 11 6.889 -5.307 7.261 1.00 0.00 C ATOM 149 C GLN A 11 5.849 -6.421 7.500 1.00 0.00 C ATOM 150 O GLN A 11 4.659 -6.130 7.607 1.00 0.00 O ATOM 151 CB GLN A 11 7.083 -4.463 8.547 1.00 0.00 C ATOM 152 CG GLN A 11 8.413 -4.799 9.236 1.00 0.00 C ATOM 153 CD GLN A 11 8.609 -3.895 10.449 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.716 -3.415 10.694 1.00 0.00 O ATOM 155 NE2 GLN A 11 7.593 -3.628 11.224 1.00 0.00 N ATOM 0 H GLN A 11 5.412 -4.465 6.034 1.00 0.00 H new ATOM 0 HA GLN A 11 7.838 -5.767 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.058 -3.403 8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.257 -4.648 9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.419 -5.844 9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.239 -4.669 8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.677 -4.027 11.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.715 -3.021 12.034 1.00 0.00 H new ATOM 164 N PRO A 12 6.247 -7.675 7.592 1.00 0.00 N ATOM 165 CA PRO A 12 5.275 -8.784 7.830 1.00 0.00 C ATOM 166 C PRO A 12 4.737 -8.741 9.261 1.00 0.00 C ATOM 167 O PRO A 12 5.311 -9.339 10.172 1.00 0.00 O ATOM 168 CB PRO A 12 6.093 -10.056 7.566 1.00 0.00 C ATOM 169 CG PRO A 12 7.511 -9.670 7.839 1.00 0.00 C ATOM 170 CD PRO A 12 7.629 -8.182 7.483 1.00 0.00 C ATOM 0 HA PRO A 12 4.395 -8.723 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.774 -10.872 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.968 -10.399 6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.766 -9.841 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.199 -10.268 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.300 -7.661 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.026 -8.043 6.478 1.00 0.00 H new ATOM 178 N SER A 13 3.643 -8.009 9.452 1.00 0.00 N ATOM 179 CA SER A 13 3.043 -7.869 10.774 1.00 0.00 C ATOM 180 C SER A 13 2.605 -9.220 11.331 1.00 0.00 C ATOM 181 O SER A 13 3.348 -9.863 12.075 1.00 0.00 O ATOM 182 CB SER A 13 1.837 -6.931 10.701 1.00 0.00 C ATOM 183 OG SER A 13 1.084 -7.044 11.901 1.00 0.00 O ATOM 0 H SER A 13 3.156 -7.506 8.711 1.00 0.00 H new ATOM 0 HA SER A 13 3.796 -7.451 11.442 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.169 -5.902 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.215 -7.184 9.842 1.00 0.00 H new ATOM 0 HG SER A 13 0.311 -6.443 11.860 1.00 0.00 H new ATOM 189 N SER A 14 1.392 -9.647 10.974 1.00 0.00 N ATOM 190 CA SER A 14 0.857 -10.927 11.452 1.00 0.00 C ATOM 191 C SER A 14 0.363 -11.775 10.286 1.00 0.00 C ATOM 192 O SER A 14 -0.431 -11.320 9.465 1.00 0.00 O ATOM 193 CB SER A 14 -0.302 -10.675 12.415 1.00 0.00 C ATOM 194 OG SER A 14 -1.380 -10.078 11.706 1.00 0.00 O ATOM 0 H SER A 14 0.763 -9.130 10.359 1.00 0.00 H new ATOM 0 HA SER A 14 1.656 -11.462 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.624 -11.613 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.020 -10.023 13.227 1.00 0.00 H new ATOM 0 HG SER A 14 -1.375 -10.393 10.778 1.00 0.00 H new ATOM 200 N GLY A 15 0.836 -13.014 10.227 1.00 0.00 N ATOM 201 CA GLY A 15 0.434 -13.919 9.157 1.00 0.00 C ATOM 202 C GLY A 15 0.947 -13.426 7.810 1.00 0.00 C ATOM 203 O GLY A 15 2.134 -13.140 7.655 1.00 0.00 O ATOM 0 H GLY A 15 1.491 -13.412 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.821 -14.918 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.653 -13.998 9.131 1.00 0.00 H new ATOM 207 N LYS A 16 0.048 -13.332 6.833 1.00 0.00 N ATOM 208 CA LYS A 16 0.424 -12.877 5.495 1.00 0.00 C ATOM 209 C LYS A 16 0.299 -11.360 5.393 1.00 0.00 C ATOM 210 O LYS A 16 0.638 -10.765 4.371 1.00 0.00 O ATOM 211 CB LYS A 16 -0.489 -13.532 4.445 1.00 0.00 C ATOM 212 CG LYS A 16 -0.919 -14.917 4.923 1.00 0.00 C ATOM 213 CD LYS A 16 -1.698 -15.601 3.804 1.00 0.00 C ATOM 214 CE LYS A 16 -2.210 -16.953 4.286 1.00 0.00 C ATOM 215 NZ LYS A 16 -2.915 -17.641 3.167 1.00 0.00 N ATOM 0 H LYS A 16 -0.940 -13.563 6.940 1.00 0.00 H new ATOM 0 HA LYS A 16 1.460 -13.163 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.366 -12.908 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.036 -13.613 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.046 -15.511 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.537 -14.833 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.534 -14.974 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.059 -15.734 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.379 -17.565 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.887 -16.819 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.266 -18.564 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.716 -17.058 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.255 -17.781 2.375 1.00 0.00 H new ATOM 229 N SER A 17 -0.221 -10.745 6.448 1.00 0.00 N ATOM 230 CA SER A 17 -0.420 -9.304 6.450 1.00 0.00 C ATOM 231 C SER A 17 0.902 -8.559 6.302 1.00 0.00 C ATOM 232 O SER A 17 1.931 -8.985 6.827 1.00 0.00 O ATOM 233 CB SER A 17 -1.095 -8.871 7.751 1.00 0.00 C ATOM 234 OG SER A 17 -0.192 -9.062 8.831 1.00 0.00 O ATOM 0 H SER A 17 -0.510 -11.217 7.305 1.00 0.00 H new ATOM 0 HA SER A 17 -1.055 -9.057 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.392 -7.824 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.004 -9.451 7.914 1.00 0.00 H new ATOM 0 HG SER A 17 0.194 -9.961 8.779 1.00 0.00 H new ATOM 240 N PHE A 18 0.855 -7.427 5.597 1.00 0.00 N ATOM 241 CA PHE A 18 2.039 -6.592 5.389 1.00 0.00 C ATOM 242 C PHE A 18 1.695 -5.156 5.780 1.00 0.00 C ATOM 243 O PHE A 18 0.779 -4.558 5.217 1.00 0.00 O ATOM 244 CB PHE A 18 2.474 -6.659 3.902 1.00 0.00 C ATOM 245 CG PHE A 18 3.939 -7.021 3.773 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.914 -6.015 3.744 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.320 -8.364 3.661 1.00 0.00 C ATOM 248 CE1 PHE A 18 6.265 -6.356 3.603 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.672 -8.699 3.525 1.00 0.00 C ATOM 250 CZ PHE A 18 6.641 -7.690 3.494 1.00 0.00 C ATOM 0 H PHE A 18 0.007 -7.067 5.159 1.00 0.00 H new ATOM 0 HA PHE A 18 2.865 -6.950 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.867 -7.396 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.291 -5.697 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.624 -4.978 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.570 -9.141 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.017 -5.581 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.967 -9.735 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.684 -7.948 3.385 1.00 0.00 H new ATOM 260 N LYS A 19 2.424 -4.612 6.743 1.00 0.00 N ATOM 261 CA LYS A 19 2.170 -3.248 7.193 1.00 0.00 C ATOM 262 C LYS A 19 2.962 -2.257 6.348 1.00 0.00 C ATOM 263 O LYS A 19 4.162 -2.080 6.553 1.00 0.00 O ATOM 264 CB LYS A 19 2.576 -3.113 8.668 1.00 0.00 C ATOM 265 CG LYS A 19 2.268 -1.684 9.190 1.00 0.00 C ATOM 266 CD LYS A 19 3.544 -1.007 9.696 1.00 0.00 C ATOM 267 CE LYS A 19 3.223 0.439 10.054 1.00 0.00 C ATOM 268 NZ LYS A 19 2.257 0.465 11.188 1.00 0.00 N ATOM 0 H LYS A 19 3.188 -5.086 7.224 1.00 0.00 H new ATOM 0 HA LYS A 19 1.108 -3.029 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.040 -3.849 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.639 -3.325 8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.826 -1.087 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.534 -1.735 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.931 -1.535 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.320 -1.043 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.136 0.969 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.801 0.954 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.255 1.411 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.304 0.242 10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.537 -0.240 11.899 1.00 0.00 H new ATOM 282 N LEU A 20 2.286 -1.612 5.390 1.00 0.00 N ATOM 283 CA LEU A 20 2.949 -0.642 4.516 1.00 0.00 C ATOM 284 C LEU A 20 2.727 0.770 5.059 1.00 0.00 C ATOM 285 O LEU A 20 1.700 1.390 4.802 1.00 0.00 O ATOM 286 CB LEU A 20 2.398 -0.719 3.072 1.00 0.00 C ATOM 287 CG LEU A 20 2.090 -2.172 2.660 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.176 -2.161 1.432 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.387 -2.899 2.297 1.00 0.00 C ATOM 0 H LEU A 20 1.292 -1.743 5.203 1.00 0.00 H new ATOM 0 HA LEU A 20 4.013 -0.878 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.492 -0.118 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.124 -0.290 2.381 1.00 0.00 H new ATOM 0 HG LEU A 20 1.605 -2.683 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.954 -3.186 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.247 -1.644 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.675 -1.645 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.160 -3.925 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.871 -2.386 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.054 -2.905 3.159 1.00 0.00 H new ATOM 301 N SER A 21 3.698 1.268 5.807 1.00 0.00 N ATOM 302 CA SER A 21 3.605 2.603 6.377 1.00 0.00 C ATOM 303 C SER A 21 3.657 3.656 5.274 1.00 0.00 C ATOM 304 O SER A 21 4.548 3.624 4.426 1.00 0.00 O ATOM 305 CB SER A 21 4.770 2.826 7.341 1.00 0.00 C ATOM 306 OG SER A 21 4.652 4.110 7.938 1.00 0.00 O ATOM 0 H SER A 21 4.558 0.769 6.034 1.00 0.00 H new ATOM 0 HA SER A 21 2.658 2.693 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.772 2.054 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.717 2.747 6.808 1.00 0.00 H new ATOM 0 HG SER A 21 5.398 4.253 8.557 1.00 0.00 H new ATOM 312 N ILE A 22 2.718 4.604 5.293 1.00 0.00 N ATOM 313 CA ILE A 22 2.707 5.662 4.292 1.00 0.00 C ATOM 314 C ILE A 22 3.511 6.841 4.842 1.00 0.00 C ATOM 315 O ILE A 22 3.128 7.423 5.858 1.00 0.00 O ATOM 316 CB ILE A 22 1.266 6.143 4.003 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.240 4.995 4.049 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.216 6.779 2.621 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.531 3.903 3.009 1.00 0.00 C ATOM 0 H ILE A 22 1.967 4.658 5.981 1.00 0.00 H new ATOM 0 HA ILE A 22 3.136 5.279 3.366 1.00 0.00 H new ATOM 0 HB ILE A 22 1.004 6.861 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.239 4.552 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.758 5.398 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.201 7.119 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.898 7.629 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.513 6.045 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.222 3.118 3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.504 4.336 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.518 3.478 3.194 1.00 0.00 H new ATOM 331 N THR A 23 4.615 7.208 4.193 1.00 0.00 N ATOM 332 CA THR A 23 5.407 8.327 4.690 1.00 0.00 C ATOM 333 C THR A 23 4.825 9.638 4.177 1.00 0.00 C ATOM 334 O THR A 23 4.600 9.802 2.980 1.00 0.00 O ATOM 335 CB THR A 23 6.867 8.178 4.256 1.00 0.00 C ATOM 336 OG1 THR A 23 7.440 7.064 4.927 1.00 0.00 O ATOM 337 CG2 THR A 23 7.646 9.444 4.619 1.00 0.00 C ATOM 0 H THR A 23 4.972 6.762 3.348 1.00 0.00 H new ATOM 0 HA THR A 23 5.374 8.332 5.780 1.00 0.00 H new ATOM 0 HB THR A 23 6.912 8.025 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.375 6.962 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.685 9.334 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.204 10.301 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.604 9.600 5.697 1.00 0.00 H new ATOM 345 N LYS A 24 4.582 10.566 5.092 1.00 0.00 N ATOM 346 CA LYS A 24 4.025 11.860 4.727 1.00 0.00 C ATOM 347 C LYS A 24 5.001 12.590 3.820 1.00 0.00 C ATOM 348 O LYS A 24 6.032 13.090 4.268 1.00 0.00 O ATOM 349 CB LYS A 24 3.780 12.680 5.997 1.00 0.00 C ATOM 350 CG LYS A 24 2.728 11.972 6.894 1.00 0.00 C ATOM 351 CD LYS A 24 3.147 12.045 8.370 1.00 0.00 C ATOM 352 CE LYS A 24 4.188 10.956 8.672 1.00 0.00 C ATOM 353 NZ LYS A 24 4.516 10.978 10.126 1.00 0.00 N ATOM 0 H LYS A 24 4.761 10.447 6.089 1.00 0.00 H new ATOM 0 HA LYS A 24 3.081 11.722 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.714 12.803 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.432 13.679 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.753 12.442 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.623 10.930 6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.562 13.028 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.275 11.915 9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.800 9.977 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.089 11.124 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.221 10.242 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.903 11.909 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.654 10.798 10.679 1.00 0.00 H new ATOM 367 N GLN A 25 4.669 12.632 2.536 1.00 0.00 N ATOM 368 CA GLN A 25 5.513 13.286 1.542 1.00 0.00 C ATOM 369 C GLN A 25 4.955 14.660 1.197 1.00 0.00 C ATOM 370 O GLN A 25 3.812 14.975 1.527 1.00 0.00 O ATOM 371 CB GLN A 25 5.551 12.433 0.273 1.00 0.00 C ATOM 372 CG GLN A 25 6.360 11.158 0.514 1.00 0.00 C ATOM 373 CD GLN A 25 7.853 11.472 0.488 1.00 0.00 C ATOM 374 OE1 GLN A 25 8.337 12.098 -0.454 1.00 0.00 O ATOM 375 NE2 GLN A 25 8.614 11.070 1.469 1.00 0.00 N ATOM 0 H GLN A 25 3.817 12.219 2.156 1.00 0.00 H new ATOM 0 HA GLN A 25 6.517 13.399 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.536 12.176 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.993 13.004 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.089 10.722 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.123 10.418 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.210 10.551 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.613 11.275 1.456 1.00 0.00 H new ATOM 384 N ASP A 26 5.752 15.471 0.511 1.00 0.00 N ATOM 385 CA ASP A 26 5.285 16.789 0.116 1.00 0.00 C ATOM 386 C ASP A 26 4.052 16.625 -0.761 1.00 0.00 C ATOM 387 O ASP A 26 4.159 16.390 -1.961 1.00 0.00 O ATOM 388 CB ASP A 26 6.374 17.538 -0.655 1.00 0.00 C ATOM 389 CG ASP A 26 7.480 17.980 0.298 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.250 17.951 1.495 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.541 18.340 -0.186 1.00 0.00 O ATOM 0 H ASP A 26 6.704 15.244 0.223 1.00 0.00 H new ATOM 0 HA ASP A 26 5.039 17.368 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.788 16.895 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.945 18.407 -1.155 1.00 0.00 H new ATOM 396 N ASP A 27 2.881 16.720 -0.145 1.00 0.00 N ATOM 397 CA ASP A 27 1.628 16.550 -0.869 1.00 0.00 C ATOM 398 C ASP A 27 1.657 17.257 -2.214 1.00 0.00 C ATOM 399 O ASP A 27 1.585 16.620 -3.264 1.00 0.00 O ATOM 400 CB ASP A 27 0.474 17.107 -0.029 1.00 0.00 C ATOM 401 CG ASP A 27 -0.825 17.054 -0.824 1.00 0.00 C ATOM 402 OD1 ASP A 27 -1.309 15.962 -1.062 1.00 0.00 O ATOM 403 OD2 ASP A 27 -1.311 18.111 -1.191 1.00 0.00 O ATOM 0 H ASP A 27 2.772 16.913 0.851 1.00 0.00 H new ATOM 0 HA ASP A 27 1.486 15.484 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.371 16.530 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.689 18.135 0.263 1.00 0.00 H new ATOM 408 N GLY A 28 1.758 18.570 -2.172 1.00 0.00 N ATOM 409 CA GLY A 28 1.788 19.359 -3.393 1.00 0.00 C ATOM 410 C GLY A 28 1.456 20.813 -3.100 1.00 0.00 C ATOM 411 O GLY A 28 1.837 21.709 -3.853 1.00 0.00 O ATOM 0 H GLY A 28 1.821 19.114 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.774 19.291 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.074 18.955 -4.111 1.00 0.00 H new ATOM 415 N GLY A 29 0.753 21.045 -1.992 1.00 0.00 N ATOM 416 CA GLY A 29 0.387 22.405 -1.609 1.00 0.00 C ATOM 417 C GLY A 29 -0.858 22.453 -0.719 1.00 0.00 C ATOM 418 O GLY A 29 -1.334 23.541 -0.392 1.00 0.00 O ATOM 0 H GLY A 29 0.430 20.319 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.222 22.867 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.209 22.996 -2.508 1.00 0.00 H new ATOM 422 N ALA A 30 -1.392 21.293 -0.315 1.00 0.00 N ATOM 423 CA ALA A 30 -2.578 21.282 0.540 1.00 0.00 C ATOM 424 C ALA A 30 -2.667 19.963 1.325 1.00 0.00 C ATOM 425 O ALA A 30 -2.348 18.909 0.777 1.00 0.00 O ATOM 426 CB ALA A 30 -3.838 21.444 -0.316 1.00 0.00 C ATOM 0 H ALA A 30 -1.029 20.372 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.501 22.110 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.718 21.435 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.792 22.390 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.901 20.622 -1.029 1.00 0.00 H new ATOM 432 N PRO A 31 -3.106 19.970 2.572 1.00 0.00 N ATOM 433 CA PRO A 31 -3.227 18.704 3.353 1.00 0.00 C ATOM 434 C PRO A 31 -4.141 17.691 2.661 1.00 0.00 C ATOM 435 O PRO A 31 -5.054 18.060 1.923 1.00 0.00 O ATOM 436 CB PRO A 31 -3.806 19.130 4.715 1.00 0.00 C ATOM 437 CG PRO A 31 -3.563 20.603 4.814 1.00 0.00 C ATOM 438 CD PRO A 31 -3.516 21.142 3.378 1.00 0.00 C ATOM 0 HA PRO A 31 -2.263 18.204 3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.870 18.904 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.319 18.597 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.356 21.088 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.627 20.806 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.487 21.524 3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.804 21.962 3.282 1.00 0.00 H new ATOM 446 N ILE A 32 -3.859 16.414 2.898 1.00 0.00 N ATOM 447 CA ILE A 32 -4.624 15.325 2.297 1.00 0.00 C ATOM 448 C ILE A 32 -5.776 14.889 3.196 1.00 0.00 C ATOM 449 O ILE A 32 -5.585 14.599 4.376 1.00 0.00 O ATOM 450 CB ILE A 32 -3.668 14.150 2.057 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.645 14.544 0.951 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.464 12.896 1.645 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.210 14.332 1.442 1.00 0.00 C ATOM 0 H ILE A 32 -3.101 16.106 3.506 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.060 15.666 1.358 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.128 13.920 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.821 13.947 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.789 15.588 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.776 12.067 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.163 12.632 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.016 13.101 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.511 14.613 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.032 14.949 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.065 13.283 1.699 1.00 0.00 H new ATOM 465 N LEU A 33 -6.972 14.840 2.622 1.00 0.00 N ATOM 466 CA LEU A 33 -8.151 14.425 3.372 1.00 0.00 C ATOM 467 C LEU A 33 -8.118 12.920 3.626 1.00 0.00 C ATOM 468 O LEU A 33 -8.429 12.455 4.723 1.00 0.00 O ATOM 469 CB LEU A 33 -9.421 14.800 2.603 1.00 0.00 C ATOM 470 CG LEU A 33 -9.371 16.281 2.215 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.637 16.644 1.434 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.280 17.154 3.478 1.00 0.00 C ATOM 0 H LEU A 33 -7.151 15.080 1.647 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.152 14.940 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.512 14.183 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.300 14.604 3.217 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.492 16.459 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.604 17.698 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.696 16.033 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.513 16.460 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.245 18.205 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.153 16.978 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.377 16.899 4.033 1.00 0.00 H new ATOM 484 N GLU A 34 -7.734 12.171 2.596 1.00 0.00 N ATOM 485 CA GLU A 34 -7.655 10.714 2.690 1.00 0.00 C ATOM 486 C GLU A 34 -6.673 10.166 1.675 1.00 0.00 C ATOM 487 O GLU A 34 -6.310 10.838 0.710 1.00 0.00 O ATOM 488 CB GLU A 34 -9.026 10.068 2.422 1.00 0.00 C ATOM 489 CG GLU A 34 -9.952 10.193 3.651 1.00 0.00 C ATOM 490 CD GLU A 34 -10.880 11.399 3.512 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.534 11.502 2.487 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.927 12.199 4.433 1.00 0.00 O ATOM 0 H GLU A 34 -7.472 12.548 1.685 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.325 10.475 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.494 10.545 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.892 9.016 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.544 9.284 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.352 10.293 4.555 1.00 0.00 H new ATOM 499 N TYR A 35 -6.272 8.917 1.894 1.00 0.00 N ATOM 500 CA TYR A 35 -5.353 8.241 0.992 1.00 0.00 C ATOM 501 C TYR A 35 -6.076 7.122 0.251 1.00 0.00 C ATOM 502 O TYR A 35 -6.685 6.249 0.863 1.00 0.00 O ATOM 503 CB TYR A 35 -4.187 7.639 1.790 1.00 0.00 C ATOM 504 CG TYR A 35 -3.135 8.682 2.089 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.474 9.838 2.790 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.810 8.478 1.680 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.495 10.795 3.089 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.828 9.431 1.981 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.171 10.587 2.685 1.00 0.00 C ATOM 510 OH TYR A 35 -0.203 11.523 2.984 1.00 0.00 O ATOM 0 H TYR A 35 -6.571 8.354 2.690 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.972 8.967 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.561 7.217 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.741 6.820 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.495 9.997 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.546 7.585 1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.761 11.691 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.193 9.272 1.669 1.00 0.00 H new ATOM 0 HH TYR A 35 0.311 11.732 2.176 1.00 0.00 H new ATOM 520 N ILE A 36 -5.975 7.141 -1.069 1.00 0.00 N ATOM 521 CA ILE A 36 -6.589 6.111 -1.895 1.00 0.00 C ATOM 522 C ILE A 36 -5.523 5.105 -2.298 1.00 0.00 C ATOM 523 O ILE A 36 -4.622 5.416 -3.075 1.00 0.00 O ATOM 524 CB ILE A 36 -7.196 6.750 -3.139 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.246 7.774 -2.702 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.848 5.670 -4.007 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.731 8.570 -3.915 1.00 0.00 C ATOM 0 H ILE A 36 -5.473 7.859 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.377 5.606 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.419 7.246 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.087 7.267 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.822 8.449 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.281 6.130 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.096 4.940 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.632 5.170 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.478 9.297 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.888 9.091 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.173 7.890 -4.643 1.00 0.00 H new ATOM 539 N VAL A 37 -5.625 3.898 -1.752 1.00 0.00 N ATOM 540 CA VAL A 37 -4.658 2.846 -2.038 1.00 0.00 C ATOM 541 C VAL A 37 -5.300 1.777 -2.895 1.00 0.00 C ATOM 542 O VAL A 37 -6.354 1.241 -2.549 1.00 0.00 O ATOM 543 CB VAL A 37 -4.189 2.216 -0.723 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.238 1.051 -1.034 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.485 3.282 0.155 1.00 0.00 C ATOM 0 H VAL A 37 -6.368 3.624 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.809 3.276 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.047 1.835 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.900 0.598 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.761 0.304 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.377 1.423 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.155 2.825 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.622 3.681 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.182 4.091 0.374 1.00 0.00 H new ATOM 555 N LYS A 38 -4.656 1.460 -4.014 1.00 0.00 N ATOM 556 CA LYS A 38 -5.169 0.438 -4.916 1.00 0.00 C ATOM 557 C LYS A 38 -4.089 -0.600 -5.171 1.00 0.00 C ATOM 558 O LYS A 38 -2.962 -0.258 -5.520 1.00 0.00 O ATOM 559 CB LYS A 38 -5.604 1.079 -6.235 1.00 0.00 C ATOM 560 CG LYS A 38 -6.749 2.055 -5.967 1.00 0.00 C ATOM 561 CD LYS A 38 -7.179 2.715 -7.286 1.00 0.00 C ATOM 562 CE LYS A 38 -7.976 1.723 -8.171 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.270 2.347 -8.565 1.00 0.00 N ATOM 0 H LYS A 38 -3.783 1.894 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.032 -0.047 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.764 1.602 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.923 0.310 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.592 1.529 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.433 2.816 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.791 3.592 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.299 3.063 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.398 1.464 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.157 0.796 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.808 1.685 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.821 2.573 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.086 3.220 -9.099 1.00 0.00 H new ATOM 577 N TYR A 39 -4.434 -1.871 -4.986 1.00 0.00 N ATOM 578 CA TYR A 39 -3.477 -2.958 -5.188 1.00 0.00 C ATOM 579 C TYR A 39 -4.102 -4.068 -6.024 1.00 0.00 C ATOM 580 O TYR A 39 -5.317 -4.263 -6.007 1.00 0.00 O ATOM 581 CB TYR A 39 -3.044 -3.515 -3.831 1.00 0.00 C ATOM 582 CG TYR A 39 -4.253 -4.039 -3.090 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.073 -3.158 -2.370 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.555 -5.405 -3.127 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.193 -3.646 -1.686 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.675 -5.892 -2.444 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.495 -5.014 -1.724 1.00 0.00 C ATOM 588 OH TYR A 39 -7.598 -5.496 -1.050 1.00 0.00 O ATOM 0 H TYR A 39 -5.364 -2.174 -4.698 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.608 -2.569 -5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.315 -4.314 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.555 -2.736 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.841 -2.104 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.924 -6.083 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.824 -2.969 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.907 -6.946 -2.472 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.664 -6.465 -1.181 1.00 0.00 H new ATOM 598 N ARG A 40 -3.258 -4.787 -6.759 1.00 0.00 N ATOM 599 CA ARG A 40 -3.716 -5.879 -7.616 1.00 0.00 C ATOM 600 C ARG A 40 -2.721 -7.026 -7.589 1.00 0.00 C ATOM 601 O ARG A 40 -1.631 -6.892 -7.043 1.00 0.00 O ATOM 602 CB ARG A 40 -3.868 -5.389 -9.056 1.00 0.00 C ATOM 603 CG ARG A 40 -2.530 -4.811 -9.574 1.00 0.00 C ATOM 604 CD ARG A 40 -2.477 -4.905 -11.101 1.00 0.00 C ATOM 605 NE ARG A 40 -1.161 -4.501 -11.588 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.991 -4.012 -12.815 1.00 0.00 C ATOM 607 NH1 ARG A 40 -2.024 -3.775 -13.576 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.211 -3.747 -13.248 1.00 0.00 N ATOM 0 H ARG A 40 -2.250 -4.633 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.679 -6.225 -7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.187 -6.212 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.645 -4.626 -9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.428 -3.772 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.694 -5.359 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.692 -5.926 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.246 -4.268 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.352 -4.596 -10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.965 -3.964 -13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.890 -3.400 -14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.018 -3.914 -12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.344 -3.372 -14.187 1.00 0.00 H new ATOM 622 N SER A 41 -3.086 -8.141 -8.208 1.00 0.00 N ATOM 623 CA SER A 41 -2.194 -9.292 -8.263 1.00 0.00 C ATOM 624 C SER A 41 -1.216 -9.134 -9.425 1.00 0.00 C ATOM 625 O SER A 41 -1.551 -8.549 -10.454 1.00 0.00 O ATOM 626 CB SER A 41 -3.003 -10.575 -8.441 1.00 0.00 C ATOM 627 OG SER A 41 -3.898 -10.413 -9.528 1.00 0.00 O ATOM 0 H SER A 41 -3.983 -8.273 -8.674 1.00 0.00 H new ATOM 0 HA SER A 41 -1.636 -9.351 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.336 -11.417 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.556 -10.800 -7.529 1.00 0.00 H new ATOM 0 HG SER A 41 -4.819 -10.525 -9.213 1.00 0.00 H new ATOM 633 N LYS A 42 -0.009 -9.649 -9.244 1.00 0.00 N ATOM 634 CA LYS A 42 1.019 -9.551 -10.277 1.00 0.00 C ATOM 635 C LYS A 42 0.775 -10.518 -11.438 1.00 0.00 C ATOM 636 O LYS A 42 1.609 -10.619 -12.336 1.00 0.00 O ATOM 637 CB LYS A 42 2.399 -9.830 -9.671 1.00 0.00 C ATOM 638 CG LYS A 42 2.814 -8.666 -8.778 1.00 0.00 C ATOM 639 CD LYS A 42 4.259 -8.857 -8.327 1.00 0.00 C ATOM 640 CE LYS A 42 4.663 -7.683 -7.435 1.00 0.00 C ATOM 641 NZ LYS A 42 6.079 -7.854 -6.999 1.00 0.00 N ATOM 0 H LYS A 42 0.285 -10.137 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 42 0.976 -8.536 -10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.373 -10.753 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.133 -9.972 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.713 -7.725 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.156 -8.607 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.362 -9.796 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.919 -8.916 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.549 -6.744 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.007 -7.630 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.360 -7.047 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.170 -8.734 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.696 -7.901 -7.835 1.00 0.00 H new ATOM 655 N ASP A 43 -0.354 -11.240 -11.423 1.00 0.00 N ATOM 656 CA ASP A 43 -0.655 -12.201 -12.501 1.00 0.00 C ATOM 657 C ASP A 43 -1.964 -11.878 -13.224 1.00 0.00 C ATOM 658 O ASP A 43 -2.002 -11.848 -14.453 1.00 0.00 O ATOM 659 CB ASP A 43 -0.736 -13.616 -11.929 1.00 0.00 C ATOM 660 CG ASP A 43 0.601 -14.000 -11.303 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.322 -13.102 -10.900 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.883 -15.185 -11.235 1.00 0.00 O ATOM 0 H ASP A 43 -1.064 -11.182 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 43 0.154 -12.128 -13.227 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.527 -13.670 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.994 -14.322 -12.718 1.00 0.00 H new ATOM 667 N LYS A 44 -3.039 -11.663 -12.471 1.00 0.00 N ATOM 668 CA LYS A 44 -4.334 -11.379 -13.090 1.00 0.00 C ATOM 669 C LYS A 44 -4.270 -10.106 -13.928 1.00 0.00 C ATOM 670 O LYS A 44 -4.762 -10.075 -15.056 1.00 0.00 O ATOM 671 CB LYS A 44 -5.415 -11.214 -12.018 1.00 0.00 C ATOM 672 CG LYS A 44 -5.434 -12.440 -11.091 1.00 0.00 C ATOM 673 CD LYS A 44 -5.893 -13.715 -11.857 1.00 0.00 C ATOM 674 CE LYS A 44 -4.709 -14.670 -12.059 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.170 -15.899 -12.767 1.00 0.00 N ATOM 0 H LYS A 44 -3.043 -11.679 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.583 -12.221 -13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.226 -10.312 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.390 -11.091 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.439 -12.600 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.105 -12.255 -10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.683 -14.218 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.313 -13.436 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.927 -14.178 -12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.275 -14.935 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.366 -16.544 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.902 -16.373 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.565 -15.639 -13.693 1.00 0.00 H new ATOM 689 N GLU A 45 -3.662 -9.058 -13.371 1.00 0.00 N ATOM 690 CA GLU A 45 -3.540 -7.779 -14.074 1.00 0.00 C ATOM 691 C GLU A 45 -4.779 -7.484 -14.915 1.00 0.00 C ATOM 692 O GLU A 45 -4.868 -7.915 -16.062 1.00 0.00 O ATOM 693 CB GLU A 45 -2.297 -7.794 -14.976 1.00 0.00 C ATOM 694 CG GLU A 45 -2.179 -6.460 -15.720 1.00 0.00 C ATOM 695 CD GLU A 45 -0.885 -6.412 -16.522 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.268 -7.452 -16.685 1.00 0.00 O ATOM 697 OE2 GLU A 45 -0.527 -5.331 -16.964 1.00 0.00 O ATOM 0 H GLU A 45 -3.248 -9.068 -12.439 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.442 -6.994 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.403 -7.967 -14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.365 -8.614 -15.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.032 -6.331 -16.386 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.204 -5.636 -15.007 1.00 0.00 H new ATOM 704 N ASP A 46 -5.716 -6.742 -14.334 1.00 0.00 N ATOM 705 CA ASP A 46 -6.951 -6.376 -15.028 1.00 0.00 C ATOM 706 C ASP A 46 -7.974 -5.803 -14.038 1.00 0.00 C ATOM 707 O ASP A 46 -8.954 -5.181 -14.445 1.00 0.00 O ATOM 708 CB ASP A 46 -7.543 -7.612 -15.753 1.00 0.00 C ATOM 709 CG ASP A 46 -7.138 -7.633 -17.228 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.201 -6.587 -17.856 1.00 0.00 O ATOM 711 OD2 ASP A 46 -6.774 -8.693 -17.707 1.00 0.00 O ATOM 0 H ASP A 46 -5.646 -6.381 -13.383 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.719 -5.610 -15.768 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.198 -8.523 -15.265 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.630 -7.599 -15.671 1.00 0.00 H new ATOM 716 N GLN A 47 -7.745 -6.021 -12.740 1.00 0.00 N ATOM 717 CA GLN A 47 -8.666 -5.526 -11.711 1.00 0.00 C ATOM 718 C GLN A 47 -7.898 -4.929 -10.533 1.00 0.00 C ATOM 719 O GLN A 47 -7.161 -5.634 -9.845 1.00 0.00 O ATOM 720 CB GLN A 47 -9.528 -6.682 -11.197 1.00 0.00 C ATOM 721 CG GLN A 47 -10.281 -7.325 -12.364 1.00 0.00 C ATOM 722 CD GLN A 47 -11.229 -6.316 -13.006 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.973 -5.628 -12.309 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.245 -6.192 -14.304 1.00 0.00 N ATOM 0 H GLN A 47 -6.939 -6.531 -12.379 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.291 -4.753 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.901 -7.424 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.236 -6.317 -10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.571 -7.690 -13.106 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.844 -8.189 -12.010 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.626 -6.764 -14.879 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.876 -5.523 -14.745 1.00 0.00 H new ATOM 733 N TRP A 48 -8.093 -3.630 -10.287 1.00 0.00 N ATOM 734 CA TRP A 48 -7.426 -2.957 -9.169 1.00 0.00 C ATOM 735 C TRP A 48 -8.370 -2.817 -7.978 1.00 0.00 C ATOM 736 O TRP A 48 -9.384 -2.124 -8.051 1.00 0.00 O ATOM 737 CB TRP A 48 -6.929 -1.566 -9.595 1.00 0.00 C ATOM 738 CG TRP A 48 -5.652 -1.683 -10.372 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.562 -1.928 -11.698 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.286 -1.551 -9.882 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.224 -1.950 -12.056 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.401 -1.720 -10.971 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.732 -1.300 -8.615 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.013 -1.643 -10.808 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.341 -1.224 -8.449 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.483 -1.393 -9.542 1.00 0.00 C ATOM 0 H TRP A 48 -8.702 -3.028 -10.842 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.573 -3.568 -8.874 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.688 -1.072 -10.202 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.771 -0.944 -8.714 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.395 -2.081 -12.368 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.888 -2.116 -13.005 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.382 -1.165 -7.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.357 -1.776 -11.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.929 -1.033 -7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.414 -1.330 -9.406 1.00 0.00 H new ATOM 757 N LEU A 49 -8.004 -3.468 -6.877 1.00 0.00 N ATOM 758 CA LEU A 49 -8.804 -3.402 -5.654 1.00 0.00 C ATOM 759 C LEU A 49 -8.625 -2.029 -5.011 1.00 0.00 C ATOM 760 O LEU A 49 -7.674 -1.326 -5.331 1.00 0.00 O ATOM 761 CB LEU A 49 -8.375 -4.499 -4.675 1.00 0.00 C ATOM 762 CG LEU A 49 -8.706 -5.884 -5.256 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.069 -6.961 -4.372 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.233 -6.093 -5.314 1.00 0.00 C ATOM 0 H LEU A 49 -7.165 -4.044 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.854 -3.555 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.305 -4.424 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.884 -4.365 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.309 -5.953 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.299 -7.947 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.988 -6.821 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.466 -6.883 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.450 -7.078 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.648 -6.022 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.681 -5.327 -5.947 1.00 0.00 H new ATOM 776 N GLU A 50 -9.557 -1.626 -4.139 1.00 0.00 N ATOM 777 CA GLU A 50 -9.482 -0.300 -3.499 1.00 0.00 C ATOM 778 C GLU A 50 -9.324 -0.392 -1.979 1.00 0.00 C ATOM 779 O GLU A 50 -9.798 -1.332 -1.342 1.00 0.00 O ATOM 780 CB GLU A 50 -10.753 0.490 -3.814 1.00 0.00 C ATOM 781 CG GLU A 50 -11.040 0.420 -5.319 1.00 0.00 C ATOM 782 CD GLU A 50 -11.670 -0.926 -5.673 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.087 -1.626 -4.765 1.00 0.00 O ATOM 784 OE2 GLU A 50 -11.746 -1.229 -6.853 1.00 0.00 O ATOM 0 H GLU A 50 -10.362 -2.187 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.600 0.201 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.595 0.083 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.635 1.528 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.710 1.230 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.115 0.556 -5.880 1.00 0.00 H new ATOM 791 N LYS A 51 -8.661 0.621 -1.413 1.00 0.00 N ATOM 792 CA LYS A 51 -8.439 0.707 0.028 1.00 0.00 C ATOM 793 C LYS A 51 -8.264 2.179 0.404 1.00 0.00 C ATOM 794 O LYS A 51 -7.308 2.823 -0.011 1.00 0.00 O ATOM 795 CB LYS A 51 -7.201 -0.144 0.411 1.00 0.00 C ATOM 796 CG LYS A 51 -6.609 0.244 1.810 1.00 0.00 C ATOM 797 CD LYS A 51 -6.831 -0.870 2.860 1.00 0.00 C ATOM 798 CE LYS A 51 -8.224 -0.730 3.484 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.184 0.309 4.553 1.00 0.00 N ATOM 0 H LYS A 51 -8.266 1.400 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.291 0.310 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.478 -1.198 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.431 -0.022 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.542 0.441 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.073 1.167 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.730 -1.849 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.068 -0.808 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.951 -0.454 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.546 -1.684 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.899 0.091 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.241 0.321 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.385 1.241 4.139 1.00 0.00 H new ATOM 813 N LYS A 52 -9.196 2.707 1.198 1.00 0.00 N ATOM 814 CA LYS A 52 -9.135 4.111 1.619 1.00 0.00 C ATOM 815 C LYS A 52 -8.513 4.229 3.009 1.00 0.00 C ATOM 816 O LYS A 52 -8.710 3.362 3.862 1.00 0.00 O ATOM 817 CB LYS A 52 -10.550 4.698 1.671 1.00 0.00 C ATOM 818 CG LYS A 52 -11.321 4.409 0.373 1.00 0.00 C ATOM 819 CD LYS A 52 -10.710 5.164 -0.814 1.00 0.00 C ATOM 820 CE LYS A 52 -11.560 4.911 -2.062 1.00 0.00 C ATOM 821 NZ LYS A 52 -10.958 5.629 -3.220 1.00 0.00 N ATOM 0 H LYS A 52 -9.997 2.190 1.561 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.524 4.655 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.090 4.277 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.494 5.775 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.310 3.338 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.365 4.700 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.668 6.232 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.686 4.832 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.613 3.842 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.581 5.255 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.676 6.238 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.163 6.214 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.614 4.937 -3.916 1.00 0.00 H new ATOM 835 N VAL A 53 -7.771 5.317 3.241 1.00 0.00 N ATOM 836 CA VAL A 53 -7.139 5.553 4.542 1.00 0.00 C ATOM 837 C VAL A 53 -7.297 7.017 4.942 1.00 0.00 C ATOM 838 O VAL A 53 -7.465 7.893 4.097 1.00 0.00 O ATOM 839 CB VAL A 53 -5.638 5.165 4.524 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.253 4.480 5.840 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.358 4.220 3.349 1.00 0.00 C ATOM 0 H VAL A 53 -7.594 6.044 2.548 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.638 4.921 5.276 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.043 6.071 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.197 4.212 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.435 5.161 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.853 3.579 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.302 3.951 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.961 3.318 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.612 4.718 2.413 1.00 0.00 H new ATOM 851 N GLN A 54 -7.239 7.259 6.240 1.00 0.00 N ATOM 852 CA GLN A 54 -7.370 8.605 6.772 1.00 0.00 C ATOM 853 C GLN A 54 -6.060 9.372 6.596 1.00 0.00 C ATOM 854 O GLN A 54 -4.977 8.825 6.800 1.00 0.00 O ATOM 855 CB GLN A 54 -7.775 8.516 8.246 1.00 0.00 C ATOM 856 CG GLN A 54 -7.852 9.912 8.868 1.00 0.00 C ATOM 857 CD GLN A 54 -8.675 9.862 10.153 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.868 9.563 10.114 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.103 10.128 11.297 1.00 0.00 N ATOM 0 H GLN A 54 -7.101 6.538 6.948 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.142 9.150 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.741 8.019 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.053 7.908 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.849 10.280 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.304 10.610 8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.114 10.376 11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.645 10.088 12.160 1.00 0.00 H new ATOM 868 N GLY A 55 -6.168 10.631 6.183 1.00 0.00 N ATOM 869 CA GLY A 55 -4.985 11.458 5.944 1.00 0.00 C ATOM 870 C GLY A 55 -4.158 11.650 7.211 1.00 0.00 C ATOM 871 O GLY A 55 -3.200 12.424 7.219 1.00 0.00 O ATOM 0 H GLY A 55 -7.056 11.101 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.368 10.994 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.294 12.431 5.561 1.00 0.00 H new ATOM 875 N ASN A 56 -4.526 10.946 8.281 1.00 0.00 N ATOM 876 CA ASN A 56 -3.808 11.046 9.554 1.00 0.00 C ATOM 877 C ASN A 56 -3.290 9.678 9.992 1.00 0.00 C ATOM 878 O ASN A 56 -2.457 9.582 10.893 1.00 0.00 O ATOM 879 CB ASN A 56 -4.742 11.603 10.631 1.00 0.00 C ATOM 880 CG ASN A 56 -3.936 12.008 11.861 1.00 0.00 C ATOM 881 OD1 ASN A 56 -2.850 12.572 11.734 1.00 0.00 O ATOM 882 ND2 ASN A 56 -4.406 11.753 13.051 1.00 0.00 N ATOM 0 H ASN A 56 -5.316 10.301 8.293 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.959 11.716 9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.286 12.464 10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.485 10.853 10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.873 12.021 13.878 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.307 11.285 13.154 1.00 0.00 H new ATOM 889 N LYS A 57 -3.792 8.621 9.355 1.00 0.00 N ATOM 890 CA LYS A 57 -3.375 7.264 9.694 1.00 0.00 C ATOM 891 C LYS A 57 -1.929 7.016 9.262 1.00 0.00 C ATOM 892 O LYS A 57 -1.096 6.595 10.064 1.00 0.00 O ATOM 893 CB LYS A 57 -4.319 6.257 8.998 1.00 0.00 C ATOM 894 CG LYS A 57 -5.295 5.644 10.019 1.00 0.00 C ATOM 895 CD LYS A 57 -6.351 4.815 9.293 1.00 0.00 C ATOM 896 CE LYS A 57 -7.332 4.228 10.311 1.00 0.00 C ATOM 897 NZ LYS A 57 -6.642 3.190 11.128 1.00 0.00 N ATOM 0 H LYS A 57 -4.483 8.678 8.607 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.430 7.134 10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.877 6.758 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.735 5.468 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.750 5.018 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.774 6.434 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.885 5.437 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.874 4.014 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.717 5.017 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.188 3.791 9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.350 2.609 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.068 2.584 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.026 3.652 11.827 1.00 0.00 H new ATOM 911 N ASP A 58 -1.649 7.285 7.991 1.00 0.00 N ATOM 912 CA ASP A 58 -0.315 7.102 7.445 1.00 0.00 C ATOM 913 C ASP A 58 0.165 5.654 7.598 1.00 0.00 C ATOM 914 O ASP A 58 1.333 5.421 7.909 1.00 0.00 O ATOM 915 CB ASP A 58 0.671 8.048 8.136 1.00 0.00 C ATOM 916 CG ASP A 58 0.293 9.497 7.847 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.097 9.816 6.686 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.205 10.265 8.791 1.00 0.00 O ATOM 0 H ASP A 58 -2.334 7.632 7.319 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.360 7.332 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.666 7.870 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.684 7.851 7.785 1.00 0.00 H new ATOM 923 N HIS A 59 -0.734 4.684 7.381 1.00 0.00 N ATOM 924 CA HIS A 59 -0.378 3.262 7.504 1.00 0.00 C ATOM 925 C HIS A 59 -1.586 2.380 7.153 1.00 0.00 C ATOM 926 O HIS A 59 -2.732 2.800 7.317 1.00 0.00 O ATOM 927 CB HIS A 59 0.131 2.964 8.945 1.00 0.00 C ATOM 928 CG HIS A 59 -0.934 2.308 9.794 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.856 3.038 10.525 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.220 0.988 10.035 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.646 2.160 11.171 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.302 0.897 10.905 1.00 0.00 N ATOM 0 H HIS A 59 -1.706 4.855 7.121 1.00 0.00 H new ATOM 0 HA HIS A 59 0.424 3.032 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.006 2.315 8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.450 3.893 9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.687 0.148 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.458 2.442 11.824 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.739 0.048 11.263 1.00 0.00 H new ATOM 940 N ILE A 60 -1.325 1.158 6.684 1.00 0.00 N ATOM 941 CA ILE A 60 -2.409 0.232 6.333 1.00 0.00 C ATOM 942 C ILE A 60 -1.969 -1.222 6.478 1.00 0.00 C ATOM 943 O ILE A 60 -0.835 -1.581 6.156 1.00 0.00 O ATOM 944 CB ILE A 60 -2.893 0.480 4.888 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.711 0.939 4.028 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.990 1.549 4.866 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.183 1.162 2.593 1.00 0.00 C ATOM 0 H ILE A 60 -0.386 0.788 6.539 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.230 0.418 7.026 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.302 -0.448 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.290 1.860 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.919 0.190 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.319 1.711 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.834 1.216 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.598 2.481 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.343 1.489 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.584 0.231 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.960 1.926 2.580 1.00 0.00 H new ATOM 959 N ILE A 61 -2.900 -2.058 6.932 1.00 0.00 N ATOM 960 CA ILE A 61 -2.647 -3.488 7.092 1.00 0.00 C ATOM 961 C ILE A 61 -3.532 -4.266 6.117 1.00 0.00 C ATOM 962 O ILE A 61 -4.757 -4.238 6.229 1.00 0.00 O ATOM 963 CB ILE A 61 -2.983 -3.923 8.522 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.276 -3.013 9.546 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.559 -5.378 8.737 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.743 -3.046 9.387 1.00 0.00 C ATOM 0 H ILE A 61 -3.841 -1.768 7.197 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.595 -3.690 6.890 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.060 -3.837 8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.631 -1.989 9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.543 -3.327 10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.801 -5.681 9.756 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.089 -6.019 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.485 -5.472 8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.286 -2.391 10.129 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.384 -4.065 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.474 -2.706 8.387 1.00 0.00 H new ATOM 978 N LEU A 62 -2.912 -4.962 5.168 1.00 0.00 N ATOM 979 CA LEU A 62 -3.663 -5.746 4.182 1.00 0.00 C ATOM 980 C LEU A 62 -3.580 -7.226 4.544 1.00 0.00 C ATOM 981 O LEU A 62 -2.542 -7.852 4.358 1.00 0.00 O ATOM 982 CB LEU A 62 -3.062 -5.536 2.788 1.00 0.00 C ATOM 983 CG LEU A 62 -2.862 -4.038 2.515 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.063 -3.860 1.224 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.223 -3.345 2.362 1.00 0.00 C ATOM 0 H LEU A 62 -1.899 -5.002 5.058 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.704 -5.422 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.107 -6.057 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.719 -5.966 2.032 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.323 -3.593 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.920 -2.797 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.092 -4.344 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.607 -4.312 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.071 -2.283 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.767 -3.791 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.799 -3.468 3.279 1.00 0.00 H new ATOM 997 N GLU A 63 -4.673 -7.777 5.072 1.00 0.00 N ATOM 998 CA GLU A 63 -4.695 -9.185 5.478 1.00 0.00 C ATOM 999 C GLU A 63 -5.037 -10.115 4.316 1.00 0.00 C ATOM 1000 O GLU A 63 -5.737 -9.733 3.377 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.714 -9.387 6.599 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.250 -8.656 7.858 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.239 -8.897 8.993 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -6.315 -10.024 9.455 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.905 -7.954 9.385 1.00 0.00 O ATOM 0 H GLU A 63 -5.548 -7.277 5.228 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.693 -9.436 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.689 -9.012 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.833 -10.450 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.259 -9.006 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.166 -7.588 7.658 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.539 -11.348 4.406 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.790 -12.356 3.379 1.00 0.00 C ATOM 1014 C HIS A 64 -4.124 -11.950 2.064 1.00 0.00 C ATOM 1015 O HIS A 64 -4.785 -11.473 1.142 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.309 -12.527 3.189 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.624 -13.921 2.715 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.329 -14.350 1.429 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.201 -14.991 3.343 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -6.726 -15.631 1.330 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.264 -16.072 2.468 1.00 0.00 N ATOM 0 H HIS A 64 -3.959 -11.672 5.180 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.363 -13.308 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.824 -12.330 4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.676 -11.798 2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.554 -14.996 4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.622 -16.230 0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.640 -17.001 2.657 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.802 -12.127 1.991 1.00 0.00 N ATOM 1030 CA LEU A 65 -2.043 -11.753 0.789 1.00 0.00 C ATOM 1031 C LEU A 65 -1.493 -12.977 0.046 1.00 0.00 C ATOM 1032 O LEU A 65 -0.913 -12.841 -1.030 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.904 -10.810 1.187 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.475 -9.555 1.878 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.321 -8.636 2.362 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.400 -8.794 0.900 1.00 0.00 C ATOM 0 H LEU A 65 -2.237 -12.523 2.742 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.722 -11.247 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.214 -11.322 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.334 -10.521 0.304 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.058 -9.861 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.738 -7.754 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.304 -9.179 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.282 -8.329 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.801 -7.908 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.831 -8.493 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.221 -9.443 0.596 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.693 -14.165 0.613 1.00 0.00 N ATOM 1049 CA GLN A 66 -1.223 -15.412 -0.009 1.00 0.00 C ATOM 1050 C GLN A 66 0.261 -15.356 -0.367 1.00 0.00 C ATOM 1051 O GLN A 66 0.712 -14.509 -1.136 1.00 0.00 O ATOM 1052 CB GLN A 66 -2.047 -15.739 -1.256 1.00 0.00 C ATOM 1053 CG GLN A 66 -3.442 -16.199 -0.836 1.00 0.00 C ATOM 1054 CD GLN A 66 -4.259 -16.573 -2.067 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.736 -16.586 -3.182 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -5.518 -16.890 -1.935 1.00 0.00 N ATOM 0 H GLN A 66 -2.177 -14.296 1.502 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.357 -16.203 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.119 -14.861 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.554 -16.519 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.365 -17.055 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.945 -15.406 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.952 -16.880 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.068 -17.148 -2.755 1.00 0.00 H new ATOM 1065 N TRP A 67 1.002 -16.284 0.217 1.00 0.00 N ATOM 1066 CA TRP A 67 2.443 -16.398 0.022 1.00 0.00 C ATOM 1067 C TRP A 67 2.832 -16.667 -1.432 1.00 0.00 C ATOM 1068 O TRP A 67 3.911 -16.270 -1.875 1.00 0.00 O ATOM 1069 CB TRP A 67 2.945 -17.546 0.890 1.00 0.00 C ATOM 1070 CG TRP A 67 2.472 -17.321 2.285 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.397 -17.925 2.841 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.015 -16.433 3.305 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.251 -17.470 4.137 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.225 -16.552 4.469 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.108 -15.547 3.332 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.504 -15.821 5.620 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.392 -14.804 4.493 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.590 -14.942 5.633 1.00 0.00 C ATOM 0 H TRP A 67 0.618 -16.988 0.847 1.00 0.00 H new ATOM 0 HA TRP A 67 2.895 -15.446 0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.573 -18.498 0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.034 -17.595 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.758 -18.645 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.513 -17.776 4.771 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.732 -15.437 2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.885 -15.933 6.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.232 -14.125 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.811 -14.369 6.522 1.00 0.00 H new ATOM 1089 N THR A 68 1.979 -17.380 -2.153 1.00 0.00 N ATOM 1090 CA THR A 68 2.265 -17.749 -3.541 1.00 0.00 C ATOM 1091 C THR A 68 1.662 -16.761 -4.528 1.00 0.00 C ATOM 1092 O THR A 68 1.417 -17.111 -5.683 1.00 0.00 O ATOM 1093 CB THR A 68 1.697 -19.140 -3.813 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.278 -19.074 -3.822 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.156 -20.100 -2.713 1.00 0.00 C ATOM 0 H THR A 68 1.082 -17.717 -1.804 1.00 0.00 H new ATOM 0 HA THR A 68 3.346 -17.738 -3.677 1.00 0.00 H new ATOM 0 HB THR A 68 2.052 -19.498 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.090 -19.965 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.752 -21.094 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.245 -20.147 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.799 -19.744 -1.747 1.00 0.00 H new ATOM 1103 N MET A 69 1.402 -15.535 -4.085 1.00 0.00 N ATOM 1104 CA MET A 69 0.804 -14.539 -4.972 1.00 0.00 C ATOM 1105 C MET A 69 1.345 -13.142 -4.685 1.00 0.00 C ATOM 1106 O MET A 69 1.097 -12.578 -3.619 1.00 0.00 O ATOM 1107 CB MET A 69 -0.715 -14.564 -4.772 1.00 0.00 C ATOM 1108 CG MET A 69 -1.438 -13.648 -5.778 1.00 0.00 C ATOM 1109 SD MET A 69 -1.865 -14.600 -7.267 1.00 0.00 S ATOM 1110 CE MET A 69 -0.539 -14.022 -8.361 1.00 0.00 C ATOM 0 H MET A 69 1.591 -15.210 -3.137 1.00 0.00 H new ATOM 0 HA MET A 69 1.058 -14.782 -6.004 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.080 -15.585 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.953 -14.249 -3.756 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.340 -13.235 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.799 -12.805 -6.043 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.117 -14.870 -8.901 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.943 -13.303 -9.074 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.241 -13.545 -7.767 1.00 0.00 H new ATOM 1120 N GLY A 70 2.063 -12.576 -5.656 1.00 0.00 N ATOM 1121 CA GLY A 70 2.606 -11.237 -5.506 1.00 0.00 C ATOM 1122 C GLY A 70 1.546 -10.209 -5.873 1.00 0.00 C ATOM 1123 O GLY A 70 0.612 -10.513 -6.615 1.00 0.00 O ATOM 0 H GLY A 70 2.278 -13.025 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.937 -11.081 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.481 -11.115 -6.145 1.00 0.00 H new ATOM 1127 N TYR A 71 1.675 -8.999 -5.340 1.00 0.00 N ATOM 1128 CA TYR A 71 0.695 -7.953 -5.620 1.00 0.00 C ATOM 1129 C TYR A 71 1.320 -6.567 -5.545 1.00 0.00 C ATOM 1130 O TYR A 71 2.105 -6.276 -4.643 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.452 -8.043 -4.609 1.00 0.00 C ATOM 1132 CG TYR A 71 0.078 -7.830 -3.213 1.00 0.00 C ATOM 1133 CD1 TYR A 71 0.616 -8.903 -2.496 1.00 0.00 C ATOM 1134 CD2 TYR A 71 0.017 -6.557 -2.626 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.089 -8.708 -1.193 1.00 0.00 C ATOM 1136 CE2 TYR A 71 0.494 -6.364 -1.324 1.00 0.00 C ATOM 1137 CZ TYR A 71 1.029 -7.440 -0.608 1.00 0.00 C ATOM 1138 OH TYR A 71 1.489 -7.252 0.679 1.00 0.00 O ATOM 0 H TYR A 71 2.436 -8.719 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 71 0.321 -8.105 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.210 -7.294 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.935 -9.018 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.667 -9.883 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.398 -5.727 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.501 -9.539 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.449 -5.384 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 71 2.462 -7.140 0.665 1.00 0.00 H new ATOM 1148 N GLU A 72 0.948 -5.710 -6.494 1.00 0.00 N ATOM 1149 CA GLU A 72 1.462 -4.341 -6.523 1.00 0.00 C ATOM 1150 C GLU A 72 0.584 -3.444 -5.651 1.00 0.00 C ATOM 1151 O GLU A 72 -0.585 -3.744 -5.425 1.00 0.00 O ATOM 1152 CB GLU A 72 1.478 -3.799 -7.970 1.00 0.00 C ATOM 1153 CG GLU A 72 1.652 -4.954 -8.953 1.00 0.00 C ATOM 1154 CD GLU A 72 1.914 -4.415 -10.356 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.276 -3.444 -10.728 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.745 -4.989 -11.041 1.00 0.00 O ATOM 0 H GLU A 72 0.298 -5.936 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 72 2.482 -4.343 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.549 -3.268 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.290 -3.082 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.481 -5.588 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.758 -5.577 -8.956 1.00 0.00 H new ATOM 1163 N VAL A 73 1.149 -2.336 -5.176 1.00 0.00 N ATOM 1164 CA VAL A 73 0.399 -1.388 -4.345 1.00 0.00 C ATOM 1165 C VAL A 73 0.620 0.027 -4.854 1.00 0.00 C ATOM 1166 O VAL A 73 1.749 0.429 -5.119 1.00 0.00 O ATOM 1167 CB VAL A 73 0.832 -1.484 -2.877 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.241 -0.856 -1.982 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.017 -2.953 -2.492 1.00 0.00 C ATOM 0 H VAL A 73 2.118 -2.071 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.660 -1.638 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 73 1.774 -0.951 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.069 -0.925 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.373 0.192 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.183 -1.387 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.325 -3.020 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.076 -3.486 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.782 -3.402 -3.125 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.465 0.777 -4.998 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.391 2.152 -5.487 1.00 0.00 C ATOM 1181 C GLN A 74 -1.081 3.097 -4.516 1.00 0.00 C ATOM 1182 O GLN A 74 -2.304 3.085 -4.374 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.052 2.231 -6.862 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.029 3.672 -7.384 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.633 3.728 -8.782 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.064 2.706 -9.316 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -1.693 4.871 -9.412 1.00 0.00 N ATOM 0 H GLN A 74 -1.410 0.457 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 74 0.654 2.451 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.532 1.576 -7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.081 1.877 -6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.589 4.321 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.005 4.044 -7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.336 5.717 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.097 4.917 -10.347 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.273 3.920 -3.861 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.766 4.896 -2.897 1.00 0.00 C ATOM 1198 C ILE A 75 -1.034 6.221 -3.597 1.00 0.00 C ATOM 1199 O ILE A 75 -0.226 6.675 -4.401 1.00 0.00 O ATOM 1200 CB ILE A 75 0.291 5.080 -1.780 1.00 0.00 C ATOM 1201 CG1 ILE A 75 0.063 4.059 -0.662 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.242 6.490 -1.172 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.252 2.640 -1.199 1.00 0.00 C ATOM 0 H ILE A 75 0.740 3.930 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.698 4.543 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 75 1.269 4.930 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.760 4.242 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.942 4.171 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.999 6.577 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.436 7.229 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.744 6.666 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.088 1.922 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.462 2.457 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.266 2.528 -1.583 1.00 0.00 H new ATOM 1215 N THR A 76 -2.152 6.850 -3.264 1.00 0.00 N ATOM 1216 CA THR A 76 -2.488 8.147 -3.843 1.00 0.00 C ATOM 1217 C THR A 76 -3.088 9.039 -2.762 1.00 0.00 C ATOM 1218 O THR A 76 -4.138 8.738 -2.201 1.00 0.00 O ATOM 1219 CB THR A 76 -3.460 7.972 -5.020 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.188 6.736 -5.664 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.284 9.121 -6.019 1.00 0.00 C ATOM 0 H THR A 76 -2.838 6.489 -2.602 1.00 0.00 H new ATOM 0 HA THR A 76 -1.585 8.621 -4.228 1.00 0.00 H new ATOM 0 HB THR A 76 -4.485 7.979 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.805 6.616 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.977 8.990 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.489 10.069 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.261 9.122 -6.396 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.405 10.137 -2.476 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.861 11.077 -1.456 1.00 0.00 C ATOM 1231 C ALA A 77 -3.772 12.118 -2.108 1.00 0.00 C ATOM 1232 O ALA A 77 -3.384 12.760 -3.082 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.625 11.732 -0.816 1.00 0.00 C ATOM 0 H ALA A 77 -1.533 10.402 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.432 10.569 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.943 12.439 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.999 10.963 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.055 12.259 -1.581 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.002 12.264 -1.595 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.959 13.209 -2.185 1.00 0.00 C ATOM 1241 C ALA A 78 -6.111 14.478 -1.351 1.00 0.00 C ATOM 1242 O ALA A 78 -6.646 14.454 -0.244 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.326 12.537 -2.324 1.00 0.00 C ATOM 0 H ALA A 78 -5.353 11.750 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.570 13.495 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.034 13.240 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.238 11.662 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.682 12.229 -1.341 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.669 15.599 -1.918 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.777 16.900 -1.255 1.00 0.00 C ATOM 1251 C ASN A 79 -6.686 17.804 -2.081 1.00 0.00 C ATOM 1252 O ASN A 79 -7.415 17.334 -2.954 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.371 17.531 -1.108 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.461 17.058 -2.237 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.278 15.856 -2.428 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.874 17.940 -2.997 1.00 0.00 N ATOM 0 H ASN A 79 -5.231 15.634 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.204 16.776 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.449 18.618 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.940 17.257 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.261 17.635 -3.753 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.028 18.935 -2.836 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.622 19.098 -1.817 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.434 20.051 -2.562 1.00 0.00 C ATOM 1265 C ARG A 80 -7.213 19.845 -4.066 1.00 0.00 C ATOM 1266 O ARG A 80 -8.133 20.017 -4.866 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.042 21.494 -2.149 1.00 0.00 C ATOM 1268 CG ARG A 80 -8.096 22.117 -1.220 1.00 0.00 C ATOM 1269 CD ARG A 80 -8.064 21.439 0.152 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.978 22.123 1.060 1.00 0.00 N ATOM 1271 CZ ARG A 80 -9.315 21.589 2.230 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -8.860 20.413 2.566 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -10.095 22.244 3.045 1.00 0.00 N ATOM 0 H ARG A 80 -6.024 19.512 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.489 19.894 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.075 21.480 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.930 22.111 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.907 23.185 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -9.087 22.012 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.347 20.391 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.052 21.460 0.555 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.366 23.028 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.246 19.903 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.119 20.003 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.446 23.166 2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.354 21.835 3.943 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.994 19.458 -4.434 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.663 19.212 -5.836 1.00 0.00 C ATOM 1289 C LEU A 81 -6.486 18.039 -6.356 1.00 0.00 C ATOM 1290 O LEU A 81 -6.984 18.061 -7.482 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.163 18.897 -5.969 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.346 20.196 -5.966 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.712 21.025 -4.735 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -1.855 19.853 -5.911 1.00 0.00 C ATOM 0 H LEU A 81 -5.222 19.308 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.893 20.101 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.844 18.257 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.980 18.346 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.564 20.765 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.132 21.948 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.775 21.265 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.490 20.454 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.270 20.773 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.645 19.287 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.587 19.255 -6.782 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.620 17.013 -5.519 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.379 15.814 -5.874 1.00 0.00 C ATOM 1308 C GLY A 82 -6.525 14.571 -5.683 1.00 0.00 C ATOM 1309 O GLY A 82 -6.947 13.605 -5.050 1.00 0.00 O ATOM 0 H GLY A 82 -6.211 16.987 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.274 15.746 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.711 15.879 -6.910 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.319 14.612 -6.234 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.384 13.498 -6.123 1.00 0.00 C ATOM 1315 C TYR A 83 -2.957 14.019 -6.259 1.00 0.00 C ATOM 1316 O TYR A 83 -2.667 14.816 -7.152 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.665 12.466 -7.216 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.155 12.276 -7.363 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.826 11.323 -6.587 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.863 13.059 -8.282 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.209 11.154 -6.731 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.244 12.892 -8.424 1.00 0.00 C ATOM 1323 CZ TYR A 83 -8.918 11.939 -7.650 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.279 11.769 -7.794 1.00 0.00 O ATOM 0 H TYR A 83 -4.963 15.407 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.507 13.022 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.236 12.797 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.190 11.517 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.278 10.719 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.343 13.792 -8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.729 10.419 -6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.791 13.498 -9.131 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.617 12.392 -8.471 1.00 0.00 H new ATOM 1334 N SER A 84 -2.065 13.577 -5.377 1.00 0.00 N ATOM 1335 CA SER A 84 -0.681 14.033 -5.431 1.00 0.00 C ATOM 1336 C SER A 84 0.241 13.074 -4.695 1.00 0.00 C ATOM 1337 O SER A 84 -0.210 12.163 -4.002 1.00 0.00 O ATOM 1338 CB SER A 84 -0.568 15.429 -4.814 1.00 0.00 C ATOM 1339 OG SER A 84 0.589 16.079 -5.324 1.00 0.00 O ATOM 0 H SER A 84 -2.271 12.915 -4.629 1.00 0.00 H new ATOM 0 HA SER A 84 -0.377 14.068 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.458 16.014 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.508 15.355 -3.728 1.00 0.00 H new ATOM 0 HG SER A 84 1.020 16.589 -4.607 1.00 0.00 H new ATOM 1345 N GLU A 85 1.537 13.299 -4.862 1.00 0.00 N ATOM 1346 CA GLU A 85 2.556 12.479 -4.220 1.00 0.00 C ATOM 1347 C GLU A 85 2.192 10.992 -4.218 1.00 0.00 C ATOM 1348 O GLU A 85 2.252 10.329 -3.183 1.00 0.00 O ATOM 1349 CB GLU A 85 2.788 12.991 -2.792 1.00 0.00 C ATOM 1350 CG GLU A 85 1.517 12.858 -1.940 1.00 0.00 C ATOM 1351 CD GLU A 85 1.869 13.021 -0.467 1.00 0.00 C ATOM 1352 OE1 GLU A 85 2.821 13.730 -0.188 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.182 12.443 0.359 1.00 0.00 O ATOM 0 H GLU A 85 1.910 14.050 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 85 3.477 12.567 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.599 12.430 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.100 14.035 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.788 13.613 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.055 11.885 -2.108 1.00 0.00 H new ATOM 1360 N PRO A 86 1.848 10.443 -5.353 1.00 0.00 N ATOM 1361 CA PRO A 86 1.493 8.998 -5.455 1.00 0.00 C ATOM 1362 C PRO A 86 2.705 8.109 -5.181 1.00 0.00 C ATOM 1363 O PRO A 86 3.837 8.483 -5.491 1.00 0.00 O ATOM 1364 CB PRO A 86 1.006 8.855 -6.902 1.00 0.00 C ATOM 1365 CG PRO A 86 1.728 9.932 -7.639 1.00 0.00 C ATOM 1366 CD PRO A 86 1.780 11.109 -6.668 1.00 0.00 C ATOM 0 HA PRO A 86 0.744 8.690 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.241 7.870 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.075 8.979 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.730 9.611 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.205 10.201 -8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.649 11.743 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.899 11.745 -6.755 1.00 0.00 H new ATOM 1374 N THR A 87 2.466 6.928 -4.611 1.00 0.00 N ATOM 1375 CA THR A 87 3.545 5.988 -4.307 1.00 0.00 C ATOM 1376 C THR A 87 3.254 4.641 -4.942 1.00 0.00 C ATOM 1377 O THR A 87 2.365 3.914 -4.503 1.00 0.00 O ATOM 1378 CB THR A 87 3.693 5.812 -2.774 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.818 6.696 -2.104 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.111 6.096 -2.324 1.00 0.00 C ATOM 0 H THR A 87 1.536 6.600 -4.351 1.00 0.00 H new ATOM 0 HA THR A 87 4.475 6.388 -4.711 1.00 0.00 H new ATOM 0 HB THR A 87 3.446 4.778 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.024 6.697 -1.146 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.183 5.964 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.795 5.408 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.377 7.121 -2.583 1.00 0.00 H new ATOM 1388 N VAL A 88 4.035 4.302 -5.950 1.00 0.00 N ATOM 1389 CA VAL A 88 3.882 3.019 -6.613 1.00 0.00 C ATOM 1390 C VAL A 88 4.866 2.032 -6.007 1.00 0.00 C ATOM 1391 O VAL A 88 6.048 2.030 -6.347 1.00 0.00 O ATOM 1392 CB VAL A 88 4.148 3.160 -8.113 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.705 1.884 -8.831 1.00 0.00 C ATOM 1394 CG2 VAL A 88 3.361 4.354 -8.661 1.00 0.00 C ATOM 0 H VAL A 88 4.777 4.892 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 88 2.862 2.660 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 88 5.213 3.320 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.894 1.984 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.265 1.034 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.640 1.724 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.550 4.455 -9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.296 4.195 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.676 5.263 -8.149 1.00 0.00 H new ATOM 1404 N TYR A 89 4.369 1.200 -5.094 1.00 0.00 N ATOM 1405 CA TYR A 89 5.214 0.208 -4.420 1.00 0.00 C ATOM 1406 C TYR A 89 4.941 -1.183 -4.990 1.00 0.00 C ATOM 1407 O TYR A 89 3.786 -1.579 -5.143 1.00 0.00 O ATOM 1408 CB TYR A 89 4.932 0.240 -2.914 1.00 0.00 C ATOM 1409 CG TYR A 89 5.847 -0.710 -2.155 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.246 -0.607 -2.276 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.295 -1.678 -1.302 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.077 -1.470 -1.556 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.133 -2.538 -0.580 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.522 -2.436 -0.709 1.00 0.00 C ATOM 1415 OH TYR A 89 8.347 -3.285 0.002 1.00 0.00 O ATOM 0 H TYR A 89 3.391 1.190 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 89 6.264 0.447 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.067 1.254 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.892 -0.031 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.678 0.140 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.223 -1.760 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.150 -1.391 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.706 -3.281 0.077 1.00 0.00 H new ATOM 0 HH TYR A 89 7.802 -3.894 0.543 1.00 0.00 H new ATOM 1425 N GLU A 90 6.004 -1.913 -5.329 1.00 0.00 N ATOM 1426 CA GLU A 90 5.864 -3.252 -5.910 1.00 0.00 C ATOM 1427 C GLU A 90 6.777 -4.254 -5.206 1.00 0.00 C ATOM 1428 O GLU A 90 7.960 -3.991 -4.995 1.00 0.00 O ATOM 1429 CB GLU A 90 6.220 -3.190 -7.399 1.00 0.00 C ATOM 1430 CG GLU A 90 7.451 -2.298 -7.576 1.00 0.00 C ATOM 1431 CD GLU A 90 7.976 -2.394 -9.004 1.00 0.00 C ATOM 1432 OE1 GLU A 90 8.453 -3.454 -9.370 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.900 -1.401 -9.709 1.00 0.00 O ATOM 0 H GLU A 90 6.969 -1.603 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 90 4.833 -3.583 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.421 -4.191 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.381 -2.793 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.195 -1.264 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.229 -2.598 -6.875 1.00 0.00 H new ATOM 1440 N PHE A 91 6.207 -5.404 -4.853 1.00 0.00 N ATOM 1441 CA PHE A 91 6.963 -6.456 -4.177 1.00 0.00 C ATOM 1442 C PHE A 91 6.108 -7.710 -4.034 1.00 0.00 C ATOM 1443 O PHE A 91 5.002 -7.656 -3.495 1.00 0.00 O ATOM 1444 CB PHE A 91 7.414 -5.973 -2.791 1.00 0.00 C ATOM 1445 CG PHE A 91 6.218 -5.875 -1.862 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.219 -4.925 -2.101 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.114 -6.736 -0.759 1.00 0.00 C ATOM 1448 CE1 PHE A 91 4.114 -4.839 -1.244 1.00 0.00 C ATOM 1449 CE2 PHE A 91 5.012 -6.647 0.098 1.00 0.00 C ATOM 1450 CZ PHE A 91 4.012 -5.699 -0.144 1.00 0.00 C ATOM 0 H PHE A 91 5.227 -5.631 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 91 7.842 -6.694 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.150 -6.663 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.900 -5.001 -2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.300 -4.258 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.886 -7.468 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.341 -4.109 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.933 -7.310 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.161 -5.631 0.518 1.00 0.00 H new ATOM 1460 N SER A 92 6.622 -8.838 -4.515 1.00 0.00 N ATOM 1461 CA SER A 92 5.888 -10.091 -4.428 1.00 0.00 C ATOM 1462 C SER A 92 6.039 -10.708 -3.042 1.00 0.00 C ATOM 1463 O SER A 92 6.886 -10.286 -2.253 1.00 0.00 O ATOM 1464 CB SER A 92 6.370 -11.073 -5.494 1.00 0.00 C ATOM 1465 OG SER A 92 7.791 -11.118 -5.501 1.00 0.00 O ATOM 0 H SER A 92 7.535 -8.908 -4.964 1.00 0.00 H new ATOM 0 HA SER A 92 4.833 -9.877 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.967 -12.066 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.002 -10.769 -6.474 1.00 0.00 H new ATOM 0 HG SER A 92 8.095 -11.750 -6.185 1.00 0.00 H new ATOM 1471 N MET A 93 5.200 -11.697 -2.740 1.00 0.00 N ATOM 1472 CA MET A 93 5.240 -12.346 -1.434 1.00 0.00 C ATOM 1473 C MET A 93 6.219 -13.521 -1.409 1.00 0.00 C ATOM 1474 O MET A 93 6.366 -14.228 -2.406 1.00 0.00 O ATOM 1475 CB MET A 93 3.856 -12.889 -1.089 1.00 0.00 C ATOM 1476 CG MET A 93 2.873 -11.742 -0.867 1.00 0.00 C ATOM 1477 SD MET A 93 1.533 -12.337 0.180 1.00 0.00 S ATOM 1478 CE MET A 93 2.290 -11.916 1.767 1.00 0.00 C ATOM 0 H MET A 93 4.491 -12.063 -3.376 1.00 0.00 H new ATOM 0 HA MET A 93 5.565 -11.596 -0.713 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.499 -13.531 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.914 -13.505 -0.192 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.376 -10.897 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.481 -11.388 -1.821 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.909 -12.583 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.372 -12.025 1.694 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.046 -10.885 2.025 1.00 0.00 H new ATOM 1488 N PRO A 94 6.848 -13.775 -0.282 1.00 0.00 N ATOM 1489 CA PRO A 94 7.777 -14.931 -0.128 1.00 0.00 C ATOM 1490 C PRO A 94 6.986 -16.221 0.061 1.00 0.00 C ATOM 1491 O PRO A 94 5.810 -16.175 0.412 1.00 0.00 O ATOM 1492 CB PRO A 94 8.547 -14.586 1.150 1.00 0.00 C ATOM 1493 CG PRO A 94 7.561 -13.818 1.967 1.00 0.00 C ATOM 1494 CD PRO A 94 6.755 -12.990 0.969 1.00 0.00 C ATOM 0 HA PRO A 94 8.423 -15.087 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.883 -15.484 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.435 -13.992 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.914 -14.489 2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.066 -13.177 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.721 -12.868 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.171 -11.990 0.848 1.00 0.00 H new ATOM 1502 N PRO A 95 7.597 -17.356 -0.130 1.00 0.00 N ATOM 1503 CA PRO A 95 6.908 -18.665 0.064 1.00 0.00 C ATOM 1504 C PRO A 95 6.532 -18.869 1.532 1.00 0.00 C ATOM 1505 O PRO A 95 7.169 -18.303 2.422 1.00 0.00 O ATOM 1506 CB PRO A 95 7.945 -19.696 -0.411 1.00 0.00 C ATOM 1507 CG PRO A 95 9.265 -19.005 -0.274 1.00 0.00 C ATOM 1508 CD PRO A 95 8.995 -17.527 -0.556 1.00 0.00 C ATOM 0 HA PRO A 95 5.970 -18.742 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.908 -20.601 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.761 -19.995 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.676 -19.143 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.993 -19.410 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.669 -16.880 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.127 -17.287 -1.611 1.00 0.00 H new ATOM 1516 N LYS A 96 5.489 -19.665 1.777 1.00 0.00 N ATOM 1517 CA LYS A 96 5.026 -19.928 3.144 1.00 0.00 C ATOM 1518 C LYS A 96 6.219 -20.019 4.110 1.00 0.00 C ATOM 1519 O LYS A 96 7.196 -20.704 3.814 1.00 0.00 O ATOM 1520 CB LYS A 96 4.242 -21.252 3.169 1.00 0.00 C ATOM 1521 CG LYS A 96 3.732 -21.578 4.596 1.00 0.00 C ATOM 1522 CD LYS A 96 2.377 -20.885 4.852 1.00 0.00 C ATOM 1523 CE LYS A 96 1.231 -21.782 4.371 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.085 -22.939 5.299 1.00 0.00 N ATOM 0 H LYS A 96 4.950 -20.137 1.051 1.00 0.00 H new ATOM 0 HA LYS A 96 4.382 -19.108 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.397 -21.189 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.880 -22.062 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.625 -22.656 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.462 -21.248 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.263 -20.673 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.344 -19.928 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.302 -21.214 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.431 -22.136 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.110 -23.299 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.745 -23.693 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.297 -22.634 6.270 1.00 0.00 H new ATOM 1538 N PRO A 97 6.171 -19.362 5.252 1.00 0.00 N ATOM 1539 CA PRO A 97 7.294 -19.422 6.233 1.00 0.00 C ATOM 1540 C PRO A 97 7.392 -20.793 6.901 1.00 0.00 C ATOM 1541 O PRO A 97 6.375 -21.433 7.171 1.00 0.00 O ATOM 1542 CB PRO A 97 6.947 -18.327 7.250 1.00 0.00 C ATOM 1543 CG PRO A 97 5.461 -18.197 7.191 1.00 0.00 C ATOM 1544 CD PRO A 97 5.070 -18.496 5.743 1.00 0.00 C ATOM 0 HA PRO A 97 8.266 -19.270 5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.279 -18.600 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.435 -17.386 6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.981 -18.895 7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.145 -17.195 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.106 -19.002 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.986 -17.583 5.154 1.00 0.00 H new