USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 535 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 29 GLN : amide:sc= -0.805 K(o=-1.3,f=-2.5!) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= -0.477 USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.39) USER MOD Single : A 6 SER OG : rot -66:sc= 1.03 USER MOD Single : A 9 SER OG : rot 82:sc= 0.639 USER MOD Single : A 12 THR OG1 : rot 86:sc= 0.938 USER MOD Single : A 16 CYS SG : rot 19:sc= 0.131 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc=-0.00939 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0407 K(o=-0.041,f=-1.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.074) USER MOD Single : A 35 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.998 K(o=-1,f=-0.21) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 140:sc= -0.552 (180deg=-1.89!) USER MOD Single : A 54 THR OG1 : rot 13:sc= 0.55 USER MOD Single : A 60 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.73) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 2.134 15.391 -7.413 1.00 0.00 N ATOM 2 CA TYR A 1 1.631 16.730 -7.009 1.00 0.00 C ATOM 3 C TYR A 1 1.396 16.800 -5.506 1.00 0.00 C ATOM 4 O TYR A 1 1.814 17.749 -4.843 1.00 0.00 O ATOM 5 CB TYR A 1 0.326 17.005 -7.760 1.00 0.00 C ATOM 6 CG TYR A 1 -0.181 18.421 -7.596 1.00 0.00 C ATOM 7 CD1 TYR A 1 -0.800 18.824 -6.419 1.00 0.00 C ATOM 8 CD2 TYR A 1 -0.039 19.353 -8.616 1.00 0.00 C ATOM 9 CE1 TYR A 1 -1.264 20.117 -6.264 1.00 0.00 C ATOM 10 CE2 TYR A 1 -0.501 20.647 -8.469 1.00 0.00 C ATOM 11 CZ TYR A 1 -1.113 21.024 -7.292 1.00 0.00 C ATOM 12 OH TYR A 1 -1.574 22.312 -7.142 1.00 0.00 O ATOM 0 H1 TYR A 1 2.285 15.373 -8.442 1.00 0.00 H new ATOM 0 H2 TYR A 1 3.033 15.197 -6.928 1.00 0.00 H new ATOM 0 H3 TYR A 1 1.436 14.665 -7.153 1.00 0.00 H new ATOM 0 HA TYR A 1 2.377 17.484 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.477 16.803 -8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -0.438 16.312 -7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -0.921 18.116 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 1 0.440 19.062 -9.539 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -1.742 20.415 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -0.383 21.360 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 1 -1.388 22.823 -7.957 1.00 0.00 H new ATOM 24 N HIS A 2 0.719 15.788 -4.977 1.00 0.00 N ATOM 25 CA HIS A 2 0.425 15.724 -3.549 1.00 0.00 C ATOM 26 C HIS A 2 1.370 14.759 -2.843 1.00 0.00 C ATOM 27 O HIS A 2 0.966 13.677 -2.420 1.00 0.00 O ATOM 28 CB HIS A 2 -1.024 15.289 -3.325 1.00 0.00 C ATOM 29 CG HIS A 2 -2.026 16.143 -4.038 1.00 0.00 C ATOM 30 ND1 HIS A 2 -2.704 15.727 -5.164 1.00 0.00 N ATOM 31 CD2 HIS A 2 -2.468 17.397 -3.778 1.00 0.00 C ATOM 32 CE1 HIS A 2 -3.516 16.687 -5.567 1.00 0.00 C ATOM 33 NE2 HIS A 2 -3.392 17.710 -4.743 1.00 0.00 N ATOM 0 H HIS A 2 0.362 14.999 -5.516 1.00 0.00 H new ATOM 0 HA HIS A 2 0.568 16.719 -3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -1.139 14.257 -3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -1.239 15.308 -2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -2.152 18.032 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -4.170 16.642 -6.425 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -3.901 18.591 -4.812 1.00 0.00 H new ATOM 42 N ALA A 3 2.632 15.158 -2.719 1.00 0.00 N ATOM 43 CA ALA A 3 3.635 14.327 -2.065 1.00 0.00 C ATOM 44 C ALA A 3 3.854 13.027 -2.831 1.00 0.00 C ATOM 45 O ALA A 3 2.959 12.186 -2.914 1.00 0.00 O ATOM 46 CB ALA A 3 3.225 14.033 -0.631 1.00 0.00 C ATOM 0 H ALA A 3 2.984 16.052 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 3 4.576 14.877 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.984 13.411 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.126 14.969 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.270 13.507 -0.626 1.00 0.00 H new ATOM 52 N ASP A 4 5.050 12.869 -3.387 1.00 0.00 N ATOM 53 CA ASP A 4 5.389 11.670 -4.143 1.00 0.00 C ATOM 54 C ASP A 4 5.942 10.586 -3.221 1.00 0.00 C ATOM 55 O ASP A 4 5.451 9.457 -3.215 1.00 0.00 O ATOM 56 CB ASP A 4 6.411 12.000 -5.232 1.00 0.00 C ATOM 57 CG ASP A 4 5.989 11.491 -6.595 1.00 0.00 C ATOM 58 OD1 ASP A 4 4.768 11.376 -6.835 1.00 0.00 O ATOM 59 OD2 ASP A 4 6.879 11.206 -7.425 1.00 0.00 O ATOM 0 H ASP A 4 5.801 13.557 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 4 4.479 11.295 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.552 13.080 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.374 11.564 -4.967 1.00 0.00 H new ATOM 64 N PRO A 5 6.975 10.915 -2.427 1.00 0.00 N ATOM 65 CA PRO A 5 7.590 9.961 -1.498 1.00 0.00 C ATOM 66 C PRO A 5 6.569 9.334 -0.555 1.00 0.00 C ATOM 67 O PRO A 5 6.801 8.260 0.000 1.00 0.00 O ATOM 68 CB PRO A 5 8.589 10.814 -0.713 1.00 0.00 C ATOM 69 CG PRO A 5 8.886 11.972 -1.602 1.00 0.00 C ATOM 70 CD PRO A 5 7.621 12.239 -2.369 1.00 0.00 C ATOM 0 HA PRO A 5 8.049 9.123 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.167 11.143 0.237 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.493 10.251 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.181 12.845 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.711 11.745 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.992 12.972 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.829 12.629 -3.365 1.00 0.00 H new ATOM 78 N SER A 6 5.441 10.013 -0.378 1.00 0.00 N ATOM 79 CA SER A 6 4.384 9.521 0.497 1.00 0.00 C ATOM 80 C SER A 6 3.646 8.352 -0.146 1.00 0.00 C ATOM 81 O SER A 6 2.444 8.426 -0.398 1.00 0.00 O ATOM 82 CB SER A 6 3.398 10.645 0.819 1.00 0.00 C ATOM 83 OG SER A 6 2.238 10.140 1.457 1.00 0.00 O ATOM 0 H SER A 6 5.235 10.905 -0.828 1.00 0.00 H new ATOM 0 HA SER A 6 4.844 9.173 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.879 11.381 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.116 11.160 -0.100 1.00 0.00 H new ATOM 0 HG SER A 6 1.740 9.574 0.831 1.00 0.00 H new ATOM 89 N LEU A 7 4.375 7.272 -0.411 1.00 0.00 N ATOM 90 CA LEU A 7 3.788 6.086 -1.022 1.00 0.00 C ATOM 91 C LEU A 7 4.685 4.869 -0.825 1.00 0.00 C ATOM 92 O LEU A 7 4.377 3.984 -0.027 1.00 0.00 O ATOM 93 CB LEU A 7 3.548 6.318 -2.517 1.00 0.00 C ATOM 94 CG LEU A 7 2.966 5.120 -3.276 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.058 4.113 -3.603 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.855 4.463 -2.472 1.00 0.00 C ATOM 0 H LEU A 7 5.372 7.195 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 7 2.833 5.895 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.872 7.165 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.493 6.598 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 7 2.541 5.482 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.626 3.270 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.818 4.589 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.514 3.758 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.456 3.615 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.252 4.116 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.059 5.186 -2.292 1.00 0.00 H new ATOM 108 N VAL A 8 5.793 4.828 -1.557 1.00 0.00 N ATOM 109 CA VAL A 8 6.731 3.716 -1.461 1.00 0.00 C ATOM 110 C VAL A 8 7.091 3.428 -0.007 1.00 0.00 C ATOM 111 O VAL A 8 7.151 2.271 0.412 1.00 0.00 O ATOM 112 CB VAL A 8 8.023 3.995 -2.254 1.00 0.00 C ATOM 113 CG1 VAL A 8 7.791 3.801 -3.746 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.537 5.398 -1.965 1.00 0.00 C ATOM 0 H VAL A 8 6.063 5.552 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 8 6.234 2.846 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 8 8.782 3.282 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.715 4.003 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.477 2.775 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.015 4.486 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.449 5.576 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.781 6.129 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.749 5.496 -0.900 1.00 0.00 H new ATOM 124 N SER A 9 7.320 4.489 0.761 1.00 0.00 N ATOM 125 CA SER A 9 7.679 4.354 2.169 1.00 0.00 C ATOM 126 C SER A 9 6.514 3.796 2.980 1.00 0.00 C ATOM 127 O SER A 9 6.717 3.147 4.006 1.00 0.00 O ATOM 128 CB SER A 9 8.108 5.709 2.737 1.00 0.00 C ATOM 129 OG SER A 9 8.270 6.667 1.705 1.00 0.00 O ATOM 0 H SER A 9 7.263 5.453 0.432 1.00 0.00 H new ATOM 0 HA SER A 9 8.512 3.655 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.362 6.061 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.044 5.598 3.284 1.00 0.00 H new ATOM 0 HG SER A 9 7.397 7.044 1.468 1.00 0.00 H new ATOM 135 N PHE A 10 5.295 4.055 2.517 1.00 0.00 N ATOM 136 CA PHE A 10 4.102 3.577 3.207 1.00 0.00 C ATOM 137 C PHE A 10 3.814 2.125 2.848 1.00 0.00 C ATOM 138 O PHE A 10 3.732 1.265 3.725 1.00 0.00 O ATOM 139 CB PHE A 10 2.897 4.451 2.852 1.00 0.00 C ATOM 140 CG PHE A 10 1.911 4.604 3.977 1.00 0.00 C ATOM 141 CD1 PHE A 10 1.708 3.574 4.882 1.00 0.00 C ATOM 142 CD2 PHE A 10 1.188 5.777 4.126 1.00 0.00 C ATOM 143 CE1 PHE A 10 0.803 3.712 5.916 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.280 5.920 5.159 1.00 0.00 C ATOM 145 CZ PHE A 10 0.088 4.886 6.055 1.00 0.00 C ATOM 0 H PHE A 10 5.108 4.591 1.670 1.00 0.00 H new ATOM 0 HA PHE A 10 4.283 3.639 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.250 5.438 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.388 4.020 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.263 2.654 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.335 6.588 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.654 2.903 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.278 6.838 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.620 4.995 6.863 1.00 0.00 H new ATOM 155 N LEU A 11 3.674 1.853 1.553 1.00 0.00 N ATOM 156 CA LEU A 11 3.411 0.499 1.079 1.00 0.00 C ATOM 157 C LEU A 11 4.357 -0.495 1.738 1.00 0.00 C ATOM 158 O LEU A 11 3.927 -1.458 2.372 1.00 0.00 O ATOM 159 CB LEU A 11 3.575 0.431 -0.438 1.00 0.00 C ATOM 160 CG LEU A 11 2.750 -0.655 -1.131 1.00 0.00 C ATOM 161 CD1 LEU A 11 1.288 -0.243 -1.214 1.00 0.00 C ATOM 162 CD2 LEU A 11 3.305 -0.939 -2.517 1.00 0.00 C ATOM 0 H LEU A 11 3.738 2.553 0.814 1.00 0.00 H new ATOM 0 HA LEU A 11 2.386 0.239 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.303 1.398 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.628 0.268 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 11 2.815 -1.569 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.716 -1.028 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.896 -0.089 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.203 0.683 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.707 -1.714 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.269 -0.030 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.338 -1.278 -2.433 1.00 0.00 H new ATOM 174 N THR A 12 5.650 -0.241 1.593 1.00 0.00 N ATOM 175 CA THR A 12 6.666 -1.091 2.191 1.00 0.00 C ATOM 176 C THR A 12 6.404 -1.261 3.682 1.00 0.00 C ATOM 177 O THR A 12 6.341 -2.384 4.188 1.00 0.00 O ATOM 178 CB THR A 12 8.056 -0.489 1.969 1.00 0.00 C ATOM 179 OG1 THR A 12 8.299 -0.289 0.588 1.00 0.00 O ATOM 180 CG2 THR A 12 9.178 -1.344 2.516 1.00 0.00 C ATOM 0 H THR A 12 6.019 0.549 1.065 1.00 0.00 H new ATOM 0 HA THR A 12 6.624 -2.070 1.714 1.00 0.00 H new ATOM 0 HB THR A 12 8.050 0.457 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.940 0.581 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.134 -0.857 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.046 -1.473 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.163 -2.319 2.029 1.00 0.00 H new ATOM 188 N GLY A 13 6.238 -0.136 4.376 1.00 0.00 N ATOM 189 CA GLY A 13 5.974 -0.174 5.804 1.00 0.00 C ATOM 190 C GLY A 13 4.778 -1.038 6.137 1.00 0.00 C ATOM 191 O GLY A 13 4.722 -1.659 7.198 1.00 0.00 O ATOM 0 H GLY A 13 6.282 0.800 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.852 -0.555 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.802 0.839 6.168 1.00 0.00 H new ATOM 195 N LEU A 14 3.827 -1.084 5.214 1.00 0.00 N ATOM 196 CA LEU A 14 2.633 -1.892 5.377 1.00 0.00 C ATOM 197 C LEU A 14 2.989 -3.357 5.609 1.00 0.00 C ATOM 198 O LEU A 14 2.177 -4.131 6.114 1.00 0.00 O ATOM 199 CB LEU A 14 1.768 -1.760 4.123 1.00 0.00 C ATOM 200 CG LEU A 14 0.270 -1.581 4.362 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.017 -0.576 5.474 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.408 -1.135 3.079 1.00 0.00 C ATOM 0 H LEU A 14 3.864 -0.564 4.337 1.00 0.00 H new ATOM 0 HA LEU A 14 2.084 -1.537 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.128 -0.909 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.915 -2.648 3.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.150 -2.538 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.057 -0.465 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.480 -0.929 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.446 0.387 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.476 -1.009 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.020 -0.187 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.255 -1.888 2.306 1.00 0.00 H new ATOM 214 N GLY A 15 4.207 -3.734 5.229 1.00 0.00 N ATOM 215 CA GLY A 15 4.641 -5.105 5.390 1.00 0.00 C ATOM 216 C GLY A 15 4.942 -5.773 4.064 1.00 0.00 C ATOM 217 O GLY A 15 4.988 -7.000 3.977 1.00 0.00 O ATOM 0 H GLY A 15 4.899 -3.112 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.532 -5.130 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.868 -5.670 5.911 1.00 0.00 H new ATOM 221 N CYS A 16 5.156 -4.966 3.025 1.00 0.00 N ATOM 222 CA CYS A 16 5.452 -5.499 1.699 1.00 0.00 C ATOM 223 C CYS A 16 6.620 -4.758 1.053 1.00 0.00 C ATOM 224 O CYS A 16 6.451 -4.083 0.037 1.00 0.00 O ATOM 225 CB CYS A 16 4.216 -5.404 0.803 1.00 0.00 C ATOM 226 SG CYS A 16 3.246 -3.897 1.039 1.00 0.00 S ATOM 0 H CYS A 16 5.130 -3.948 3.077 1.00 0.00 H new ATOM 0 HA CYS A 16 5.734 -6.546 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.531 -5.461 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.577 -6.267 0.991 1.00 0.00 H new ATOM 0 HG CYS A 16 3.975 -3.000 1.634 1.00 0.00 H new ATOM 232 N PRO A 17 7.831 -4.889 1.625 1.00 0.00 N ATOM 233 CA PRO A 17 9.030 -4.228 1.103 1.00 0.00 C ATOM 234 C PRO A 17 9.521 -4.842 -0.207 1.00 0.00 C ATOM 235 O PRO A 17 10.411 -4.296 -0.860 1.00 0.00 O ATOM 236 CB PRO A 17 10.079 -4.435 2.209 1.00 0.00 C ATOM 237 CG PRO A 17 9.325 -4.959 3.388 1.00 0.00 C ATOM 238 CD PRO A 17 8.126 -5.667 2.833 1.00 0.00 C ATOM 0 HA PRO A 17 8.834 -3.181 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.849 -5.139 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.583 -3.499 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.942 -5.639 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.026 -4.148 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.341 -6.710 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.291 -5.662 3.533 1.00 0.00 H new ATOM 246 N ASN A 18 8.951 -5.983 -0.584 1.00 0.00 N ATOM 247 CA ASN A 18 9.336 -6.654 -1.817 1.00 0.00 C ATOM 248 C ASN A 18 8.119 -6.927 -2.697 1.00 0.00 C ATOM 249 O ASN A 18 8.183 -7.736 -3.621 1.00 0.00 O ATOM 250 CB ASN A 18 10.053 -7.968 -1.502 1.00 0.00 C ATOM 251 CG ASN A 18 11.484 -7.753 -1.052 1.00 0.00 C ATOM 252 OD1 ASN A 18 12.411 -7.768 -1.861 1.00 0.00 O ATOM 253 ND2 ASN A 18 11.672 -7.552 0.247 1.00 0.00 N ATOM 0 H ASN A 18 8.222 -6.460 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 18 10.013 -5.995 -2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.506 -8.499 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.045 -8.604 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.614 -7.402 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.875 -7.547 0.883 1.00 0.00 H new ATOM 260 N CYS A 19 7.011 -6.251 -2.407 1.00 0.00 N ATOM 261 CA CYS A 19 5.789 -6.428 -3.177 1.00 0.00 C ATOM 262 C CYS A 19 5.436 -5.163 -3.947 1.00 0.00 C ATOM 263 O CYS A 19 4.724 -5.215 -4.949 1.00 0.00 O ATOM 264 CB CYS A 19 4.634 -6.819 -2.254 1.00 0.00 C ATOM 265 SG CYS A 19 3.631 -8.194 -2.866 1.00 0.00 S ATOM 0 H CYS A 19 6.937 -5.577 -1.645 1.00 0.00 H new ATOM 0 HA CYS A 19 5.958 -7.229 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.038 -7.085 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.991 -5.951 -2.107 1.00 0.00 H new ATOM 0 HG CYS A 19 2.682 -8.451 -2.015 1.00 0.00 H new ATOM 271 N ILE A 20 5.939 -4.028 -3.477 1.00 0.00 N ATOM 272 CA ILE A 20 5.674 -2.757 -4.133 1.00 0.00 C ATOM 273 C ILE A 20 6.050 -2.815 -5.604 1.00 0.00 C ATOM 274 O ILE A 20 5.402 -2.193 -6.437 1.00 0.00 O ATOM 275 CB ILE A 20 6.444 -1.602 -3.469 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.132 -0.280 -4.177 1.00 0.00 C ATOM 277 CG2 ILE A 20 7.936 -1.886 -3.501 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.694 0.937 -3.476 1.00 0.00 C ATOM 0 H ILE A 20 6.530 -3.963 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 20 4.604 -2.571 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 20 6.128 -1.517 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.530 -0.319 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.051 -0.171 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.473 -1.063 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.142 -2.811 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.265 -1.988 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.432 1.834 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.277 1.003 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.779 0.852 -3.414 1.00 0.00 H new ATOM 290 N GLU A 21 7.111 -3.546 -5.917 1.00 0.00 N ATOM 291 CA GLU A 21 7.564 -3.673 -7.284 1.00 0.00 C ATOM 292 C GLU A 21 6.527 -4.423 -8.115 1.00 0.00 C ATOM 293 O GLU A 21 6.244 -4.055 -9.255 1.00 0.00 O ATOM 294 CB GLU A 21 8.940 -4.356 -7.278 1.00 0.00 C ATOM 295 CG GLU A 21 9.137 -5.507 -8.257 1.00 0.00 C ATOM 296 CD GLU A 21 9.490 -5.035 -9.654 1.00 0.00 C ATOM 297 OE1 GLU A 21 8.562 -4.699 -10.420 1.00 0.00 O ATOM 298 OE2 GLU A 21 10.695 -5.000 -9.982 1.00 0.00 O ATOM 0 H GLU A 21 7.671 -4.059 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 21 7.676 -2.695 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.696 -3.599 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.130 -4.729 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.928 -6.160 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.225 -6.103 -8.299 1.00 0.00 H new ATOM 305 N TYR A 22 5.964 -5.473 -7.533 1.00 0.00 N ATOM 306 CA TYR A 22 4.931 -6.245 -8.206 1.00 0.00 C ATOM 307 C TYR A 22 3.707 -5.375 -8.442 1.00 0.00 C ATOM 308 O TYR A 22 2.954 -5.581 -9.394 1.00 0.00 O ATOM 309 CB TYR A 22 4.556 -7.475 -7.376 1.00 0.00 C ATOM 310 CG TYR A 22 5.691 -8.457 -7.210 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.710 -8.221 -6.295 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.754 -9.613 -7.978 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.753 -9.113 -6.145 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.795 -10.510 -7.833 1.00 0.00 C ATOM 315 CZ TYR A 22 7.793 -10.254 -6.915 1.00 0.00 C ATOM 316 OH TYR A 22 8.832 -11.144 -6.768 1.00 0.00 O ATOM 0 H TYR A 22 6.205 -5.808 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 22 5.316 -6.584 -9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.220 -7.151 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.715 -7.981 -7.850 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.686 -7.326 -5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.977 -9.814 -8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.535 -8.917 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.827 -11.406 -8.435 1.00 0.00 H new ATOM 0 HH TYR A 22 8.709 -11.896 -7.385 1.00 0.00 H new ATOM 326 N PHE A 23 3.538 -4.373 -7.584 1.00 0.00 N ATOM 327 CA PHE A 23 2.412 -3.457 -7.688 1.00 0.00 C ATOM 328 C PHE A 23 2.759 -2.239 -8.543 1.00 0.00 C ATOM 329 O PHE A 23 1.911 -1.726 -9.271 1.00 0.00 O ATOM 330 CB PHE A 23 1.976 -3.004 -6.293 1.00 0.00 C ATOM 331 CG PHE A 23 0.767 -3.730 -5.776 1.00 0.00 C ATOM 332 CD1 PHE A 23 -0.508 -3.308 -6.118 1.00 0.00 C ATOM 333 CD2 PHE A 23 0.905 -4.832 -4.947 1.00 0.00 C ATOM 334 CE1 PHE A 23 -1.623 -3.972 -5.643 1.00 0.00 C ATOM 335 CE2 PHE A 23 -0.206 -5.501 -4.471 1.00 0.00 C ATOM 336 CZ PHE A 23 -1.472 -5.070 -4.820 1.00 0.00 C ATOM 0 H PHE A 23 4.170 -4.176 -6.808 1.00 0.00 H new ATOM 0 HA PHE A 23 1.593 -3.988 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.802 -3.151 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.765 -1.935 -6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.632 -2.451 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.892 -5.172 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.611 -3.632 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.085 -6.360 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.342 -5.592 -4.449 1.00 0.00 H new ATOM 346 N THR A 24 4.004 -1.770 -8.449 1.00 0.00 N ATOM 347 CA THR A 24 4.425 -0.594 -9.204 1.00 0.00 C ATOM 348 C THR A 24 4.530 -0.898 -10.698 1.00 0.00 C ATOM 349 O THR A 24 4.557 0.016 -11.523 1.00 0.00 O ATOM 350 CB THR A 24 5.756 -0.054 -8.667 1.00 0.00 C ATOM 351 OG1 THR A 24 5.953 1.286 -9.079 1.00 0.00 O ATOM 352 CG2 THR A 24 6.966 -0.850 -9.106 1.00 0.00 C ATOM 0 H THR A 24 4.730 -2.183 -7.863 1.00 0.00 H new ATOM 0 HA THR A 24 3.662 0.174 -9.074 1.00 0.00 H new ATOM 0 HB THR A 24 5.674 -0.134 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.806 1.615 -8.726 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.867 -0.404 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.872 -1.878 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.032 -0.842 -10.194 1.00 0.00 H new ATOM 360 N SER A 25 4.565 -2.182 -11.048 1.00 0.00 N ATOM 361 CA SER A 25 4.637 -2.586 -12.446 1.00 0.00 C ATOM 362 C SER A 25 3.409 -2.099 -13.214 1.00 0.00 C ATOM 363 O SER A 25 3.449 -1.948 -14.434 1.00 0.00 O ATOM 364 CB SER A 25 4.751 -4.108 -12.555 1.00 0.00 C ATOM 365 OG SER A 25 4.682 -4.530 -13.906 1.00 0.00 O ATOM 0 H SER A 25 4.545 -2.956 -10.384 1.00 0.00 H new ATOM 0 HA SER A 25 5.525 -2.131 -12.886 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.693 -4.437 -12.116 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.951 -4.577 -11.983 1.00 0.00 H new ATOM 0 HG SER A 25 4.759 -5.506 -13.948 1.00 0.00 H new ATOM 371 N GLN A 26 2.321 -1.850 -12.487 1.00 0.00 N ATOM 372 CA GLN A 26 1.085 -1.376 -13.099 1.00 0.00 C ATOM 373 C GLN A 26 0.937 0.133 -12.925 1.00 0.00 C ATOM 374 O GLN A 26 0.804 0.871 -13.902 1.00 0.00 O ATOM 375 CB GLN A 26 -0.127 -2.084 -12.486 1.00 0.00 C ATOM 376 CG GLN A 26 0.146 -3.517 -12.057 1.00 0.00 C ATOM 377 CD GLN A 26 0.121 -4.488 -13.220 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.276 -4.135 -14.330 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.545 -5.720 -12.969 1.00 0.00 N ATOM 0 H GLN A 26 2.272 -1.969 -11.475 1.00 0.00 H new ATOM 0 HA GLN A 26 1.131 -1.606 -14.164 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.468 -1.515 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.941 -2.081 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.119 -3.567 -11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.598 -3.820 -11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.865 -5.968 -12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.551 -6.419 -13.712 1.00 0.00 H new ATOM 388 N GLY A 27 0.954 0.583 -11.673 1.00 0.00 N ATOM 389 CA GLY A 27 0.820 2.001 -11.389 1.00 0.00 C ATOM 390 C GLY A 27 0.600 2.282 -9.914 1.00 0.00 C ATOM 391 O GLY A 27 -0.177 3.166 -9.553 1.00 0.00 O ATOM 0 H GLY A 27 1.058 -0.010 -10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.717 2.521 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.015 2.405 -11.961 1.00 0.00 H new ATOM 395 N LEU A 28 1.299 1.539 -9.062 1.00 0.00 N ATOM 396 CA LEU A 28 1.170 1.698 -7.619 1.00 0.00 C ATOM 397 C LEU A 28 2.309 2.537 -7.048 1.00 0.00 C ATOM 398 O LEU A 28 2.796 2.271 -5.951 1.00 0.00 O ATOM 399 CB LEU A 28 1.154 0.324 -6.946 1.00 0.00 C ATOM 400 CG LEU A 28 0.002 0.081 -5.972 1.00 0.00 C ATOM 401 CD1 LEU A 28 0.191 0.910 -4.709 1.00 0.00 C ATOM 402 CD2 LEU A 28 -1.337 0.385 -6.630 1.00 0.00 C ATOM 0 H LEU A 28 1.962 0.819 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 28 0.233 2.217 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.118 -0.441 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.094 0.190 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 28 0.004 -0.972 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.638 0.726 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.128 0.630 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.218 1.968 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.142 0.205 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.359 1.428 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.470 -0.260 -7.499 1.00 0.00 H new ATOM 414 N GLN A 29 2.722 3.558 -7.793 1.00 0.00 N ATOM 415 CA GLN A 29 3.789 4.443 -7.342 1.00 0.00 C ATOM 416 C GLN A 29 3.203 5.729 -6.769 1.00 0.00 C ATOM 417 O GLN A 29 3.776 6.339 -5.866 1.00 0.00 O ATOM 418 CB GLN A 29 4.745 4.761 -8.491 1.00 0.00 C ATOM 419 CG GLN A 29 4.097 5.545 -9.620 1.00 0.00 C ATOM 420 CD GLN A 29 4.736 6.904 -9.825 1.00 0.00 C ATOM 421 OE1 GLN A 29 5.834 7.166 -9.334 1.00 0.00 O ATOM 422 NE2 GLN A 29 4.050 7.777 -10.553 1.00 0.00 N ATOM 0 H GLN A 29 2.336 3.792 -8.708 1.00 0.00 H new ATOM 0 HA GLN A 29 4.350 3.935 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.590 5.330 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.144 3.828 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.168 4.971 -10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.036 5.675 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.143 7.517 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.430 8.708 -10.725 1.00 0.00 H new ATOM 431 N SER A 30 2.044 6.120 -7.289 1.00 0.00 N ATOM 432 CA SER A 30 1.343 7.302 -6.805 1.00 0.00 C ATOM 433 C SER A 30 0.164 6.882 -5.943 1.00 0.00 C ATOM 434 O SER A 30 -0.821 6.353 -6.448 1.00 0.00 O ATOM 435 CB SER A 30 0.860 8.157 -7.978 1.00 0.00 C ATOM 436 OG SER A 30 1.837 8.219 -9.002 1.00 0.00 O ATOM 0 H SER A 30 1.569 5.632 -8.049 1.00 0.00 H new ATOM 0 HA SER A 30 2.031 7.898 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.065 7.741 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.631 9.164 -7.628 1.00 0.00 H new ATOM 0 HG SER A 30 1.503 8.770 -9.740 1.00 0.00 H new ATOM 442 N ILE A 31 0.284 7.089 -4.634 1.00 0.00 N ATOM 443 CA ILE A 31 -0.759 6.680 -3.697 1.00 0.00 C ATOM 444 C ILE A 31 -2.156 7.032 -4.215 1.00 0.00 C ATOM 445 O ILE A 31 -3.133 6.346 -3.915 1.00 0.00 O ATOM 446 CB ILE A 31 -0.545 7.287 -2.296 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.342 6.489 -1.262 1.00 0.00 C ATOM 448 CG2 ILE A 31 -0.942 8.756 -2.263 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.483 5.891 -0.171 1.00 0.00 C ATOM 0 H ILE A 31 1.091 7.536 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.688 5.596 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 31 0.516 7.229 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.090 7.140 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.881 5.689 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.779 9.154 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.336 9.313 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.995 8.854 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.113 5.339 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.248 5.214 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.036 6.688 0.361 1.00 0.00 H new ATOM 461 N TYR A 32 -2.241 8.103 -4.995 1.00 0.00 N ATOM 462 CA TYR A 32 -3.510 8.523 -5.570 1.00 0.00 C ATOM 463 C TYR A 32 -4.134 7.391 -6.385 1.00 0.00 C ATOM 464 O TYR A 32 -5.343 7.376 -6.622 1.00 0.00 O ATOM 465 CB TYR A 32 -3.308 9.754 -6.456 1.00 0.00 C ATOM 466 CG TYR A 32 -4.593 10.319 -7.017 1.00 0.00 C ATOM 467 CD1 TYR A 32 -5.714 10.476 -6.212 1.00 0.00 C ATOM 468 CD2 TYR A 32 -4.683 10.699 -8.350 1.00 0.00 C ATOM 469 CE1 TYR A 32 -6.890 10.995 -6.720 1.00 0.00 C ATOM 470 CE2 TYR A 32 -5.856 11.219 -8.866 1.00 0.00 C ATOM 471 CZ TYR A 32 -6.956 11.364 -8.047 1.00 0.00 C ATOM 472 OH TYR A 32 -8.125 11.882 -8.557 1.00 0.00 O ATOM 0 H TYR A 32 -1.448 8.694 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.187 8.779 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.804 10.528 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.646 9.491 -7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.666 10.188 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.823 10.587 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.753 11.111 -6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.910 11.510 -9.905 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.003 12.092 -9.507 1.00 0.00 H new ATOM 482 N HIS A 33 -3.300 6.444 -6.810 1.00 0.00 N ATOM 483 CA HIS A 33 -3.763 5.311 -7.605 1.00 0.00 C ATOM 484 C HIS A 33 -4.279 4.181 -6.719 1.00 0.00 C ATOM 485 O HIS A 33 -5.108 3.378 -7.148 1.00 0.00 O ATOM 486 CB HIS A 33 -2.633 4.795 -8.498 1.00 0.00 C ATOM 487 CG HIS A 33 -3.105 3.922 -9.618 1.00 0.00 C ATOM 488 ND1 HIS A 33 -3.142 4.339 -10.933 1.00 0.00 N ATOM 489 CD2 HIS A 33 -3.561 2.646 -9.616 1.00 0.00 C ATOM 490 CE1 HIS A 33 -3.601 3.358 -11.690 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.862 2.321 -10.916 1.00 0.00 N ATOM 0 H HIS A 33 -2.299 6.440 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.588 5.658 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.093 5.645 -8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.925 4.236 -7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.668 2.005 -8.754 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.739 3.398 -12.760 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.228 1.423 -11.232 1.00 0.00 H new ATOM 500 N LEU A 34 -3.768 4.101 -5.493 1.00 0.00 N ATOM 501 CA LEU A 34 -4.203 3.065 -4.560 1.00 0.00 C ATOM 502 C LEU A 34 -5.258 3.597 -3.595 1.00 0.00 C ATOM 503 O LEU A 34 -5.552 2.976 -2.573 1.00 0.00 O ATOM 504 CB LEU A 34 -3.018 2.512 -3.774 1.00 0.00 C ATOM 505 CG LEU A 34 -1.845 3.476 -3.588 1.00 0.00 C ATOM 506 CD1 LEU A 34 -0.969 3.025 -2.430 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.030 3.582 -4.869 1.00 0.00 C ATOM 0 H LEU A 34 -3.059 4.735 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.646 2.261 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.370 2.201 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.654 1.618 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.242 4.464 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.138 3.721 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.560 3.003 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.580 2.028 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.200 4.272 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.640 2.599 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.665 3.950 -5.675 1.00 0.00 H new ATOM 519 N GLN A 35 -5.820 4.746 -3.931 1.00 0.00 N ATOM 520 CA GLN A 35 -6.844 5.380 -3.118 1.00 0.00 C ATOM 521 C GLN A 35 -8.088 4.520 -3.025 1.00 0.00 C ATOM 522 O GLN A 35 -8.768 4.483 -1.999 1.00 0.00 O ATOM 523 CB GLN A 35 -7.218 6.715 -3.754 1.00 0.00 C ATOM 524 CG GLN A 35 -6.358 7.864 -3.286 1.00 0.00 C ATOM 525 CD GLN A 35 -6.982 8.633 -2.138 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.484 9.742 -2.318 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.959 8.042 -0.948 1.00 0.00 N ATOM 0 H GLN A 35 -5.579 5.266 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.447 5.521 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.137 6.628 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.261 6.937 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.386 7.482 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.182 8.544 -4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.532 7.121 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.368 8.509 -0.139 1.00 0.00 H new ATOM 536 N ASN A 36 -8.404 3.879 -4.132 1.00 0.00 N ATOM 537 CA ASN A 36 -9.612 3.071 -4.242 1.00 0.00 C ATOM 538 C ASN A 36 -9.305 1.582 -4.319 1.00 0.00 C ATOM 539 O ASN A 36 -10.186 0.746 -4.119 1.00 0.00 O ATOM 540 CB ASN A 36 -10.396 3.507 -5.473 1.00 0.00 C ATOM 541 CG ASN A 36 -9.506 3.810 -6.655 1.00 0.00 C ATOM 542 OD1 ASN A 36 -9.339 2.993 -7.561 1.00 0.00 O ATOM 543 ND2 ASN A 36 -8.926 5.000 -6.638 1.00 0.00 N ATOM 0 H ASN A 36 -7.837 3.900 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.205 3.229 -3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.101 2.722 -5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.983 4.392 -5.230 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.307 5.277 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.098 5.640 -5.863 1.00 0.00 H new ATOM 550 N LEU A 37 -8.048 1.256 -4.581 1.00 0.00 N ATOM 551 CA LEU A 37 -7.620 -0.140 -4.692 1.00 0.00 C ATOM 552 C LEU A 37 -8.215 -0.995 -3.574 1.00 0.00 C ATOM 553 O LEU A 37 -8.377 -0.535 -2.444 1.00 0.00 O ATOM 554 CB LEU A 37 -6.091 -0.230 -4.633 1.00 0.00 C ATOM 555 CG LEU A 37 -5.411 -1.043 -5.746 1.00 0.00 C ATOM 556 CD1 LEU A 37 -6.260 -2.232 -6.175 1.00 0.00 C ATOM 557 CD2 LEU A 37 -5.088 -0.152 -6.935 1.00 0.00 C ATOM 0 H LEU A 37 -7.302 1.937 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.977 -0.519 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.688 0.783 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.811 -0.664 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.478 -1.439 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.745 -2.781 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.423 -2.890 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.221 -1.877 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.607 -0.744 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.009 0.281 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.416 0.646 -6.619 1.00 0.00 H new ATOM 569 N THR A 38 -8.520 -2.246 -3.896 1.00 0.00 N ATOM 570 CA THR A 38 -9.083 -3.172 -2.921 1.00 0.00 C ATOM 571 C THR A 38 -8.382 -4.517 -2.974 1.00 0.00 C ATOM 572 O THR A 38 -7.575 -4.776 -3.866 1.00 0.00 O ATOM 573 CB THR A 38 -10.574 -3.381 -3.180 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.035 -2.512 -4.198 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.426 -3.151 -1.952 1.00 0.00 C ATOM 0 H THR A 38 -8.387 -2.643 -4.826 1.00 0.00 H new ATOM 0 HA THR A 38 -8.938 -2.734 -1.934 1.00 0.00 H new ATOM 0 HB THR A 38 -10.674 -4.423 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.991 -2.663 -4.349 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.475 -3.315 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.127 -3.845 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.292 -2.127 -1.603 1.00 0.00 H new ATOM 583 N ILE A 39 -8.733 -5.390 -2.040 1.00 0.00 N ATOM 584 CA ILE A 39 -8.190 -6.736 -2.024 1.00 0.00 C ATOM 585 C ILE A 39 -8.615 -7.472 -3.280 1.00 0.00 C ATOM 586 O ILE A 39 -7.861 -8.268 -3.840 1.00 0.00 O ATOM 587 CB ILE A 39 -8.666 -7.523 -0.793 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.988 -8.894 -0.745 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.178 -7.674 -0.811 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.502 -8.826 -0.469 1.00 0.00 C ATOM 0 H ILE A 39 -9.390 -5.189 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.104 -6.657 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.388 -6.969 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.465 -9.499 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.150 -9.403 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.498 -8.234 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.642 -6.688 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.480 -8.209 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.089 -9.835 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.012 -8.249 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.333 -8.346 0.495 1.00 0.00 H new ATOM 602 N GLU A 40 -9.825 -7.169 -3.736 1.00 0.00 N ATOM 603 CA GLU A 40 -10.361 -7.779 -4.944 1.00 0.00 C ATOM 604 C GLU A 40 -9.498 -7.423 -6.149 1.00 0.00 C ATOM 605 O GLU A 40 -9.263 -8.254 -7.025 1.00 0.00 O ATOM 606 CB GLU A 40 -11.809 -7.342 -5.182 1.00 0.00 C ATOM 607 CG GLU A 40 -12.058 -5.871 -4.905 1.00 0.00 C ATOM 608 CD GLU A 40 -13.342 -5.369 -5.536 1.00 0.00 C ATOM 609 OE1 GLU A 40 -13.706 -5.872 -6.620 1.00 0.00 O ATOM 610 OE2 GLU A 40 -13.984 -4.476 -4.945 1.00 0.00 O ATOM 0 H GLU A 40 -10.453 -6.503 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.348 -8.861 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.079 -7.558 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.467 -7.938 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.099 -5.710 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.219 -5.287 -5.283 1.00 0.00 H new ATOM 617 N ASP A 41 -9.019 -6.183 -6.179 1.00 0.00 N ATOM 618 CA ASP A 41 -8.157 -5.722 -7.259 1.00 0.00 C ATOM 619 C ASP A 41 -6.705 -6.091 -6.974 1.00 0.00 C ATOM 620 O ASP A 41 -5.907 -6.276 -7.894 1.00 0.00 O ATOM 621 CB ASP A 41 -8.288 -4.207 -7.437 1.00 0.00 C ATOM 622 CG ASP A 41 -9.540 -3.819 -8.197 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.339 -4.722 -8.526 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.722 -2.613 -8.463 1.00 0.00 O ATOM 0 H ASP A 41 -9.214 -5.480 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.469 -6.212 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.298 -3.729 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.413 -3.830 -7.967 1.00 0.00 H new ATOM 629 N LEU A 42 -6.375 -6.201 -5.691 1.00 0.00 N ATOM 630 CA LEU A 42 -5.029 -6.566 -5.269 1.00 0.00 C ATOM 631 C LEU A 42 -4.623 -7.894 -5.892 1.00 0.00 C ATOM 632 O LEU A 42 -3.644 -7.972 -6.635 1.00 0.00 O ATOM 633 CB LEU A 42 -4.962 -6.662 -3.737 1.00 0.00 C ATOM 634 CG LEU A 42 -4.923 -5.334 -2.942 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.682 -5.287 -2.068 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.974 -4.105 -3.845 1.00 0.00 C ATOM 0 H LEU A 42 -7.026 -6.041 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.337 -5.794 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.826 -7.233 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.075 -7.239 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.816 -5.309 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.663 -4.349 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.698 -6.123 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.793 -5.355 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.944 -3.203 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.119 -4.114 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.896 -4.119 -4.426 1.00 0.00 H new ATOM 648 N GLY A 43 -5.393 -8.934 -5.593 1.00 0.00 N ATOM 649 CA GLY A 43 -5.120 -10.241 -6.155 1.00 0.00 C ATOM 650 C GLY A 43 -5.232 -10.247 -7.666 1.00 0.00 C ATOM 651 O GLY A 43 -4.699 -11.135 -8.331 1.00 0.00 O ATOM 0 H GLY A 43 -6.201 -8.894 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.118 -10.558 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.817 -10.967 -5.737 1.00 0.00 H new ATOM 655 N ALA A 44 -5.930 -9.252 -8.210 1.00 0.00 N ATOM 656 CA ALA A 44 -6.092 -9.136 -9.652 1.00 0.00 C ATOM 657 C ALA A 44 -4.732 -9.081 -10.333 1.00 0.00 C ATOM 658 O ALA A 44 -4.540 -9.638 -11.415 1.00 0.00 O ATOM 659 CB ALA A 44 -6.912 -7.901 -9.995 1.00 0.00 C ATOM 0 H ALA A 44 -6.390 -8.517 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.625 -10.015 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.025 -7.828 -11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.896 -7.977 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.404 -7.012 -9.622 1.00 0.00 H new ATOM 665 N LEU A 45 -3.782 -8.428 -9.673 1.00 0.00 N ATOM 666 CA LEU A 45 -2.429 -8.305 -10.190 1.00 0.00 C ATOM 667 C LEU A 45 -1.768 -9.671 -10.367 1.00 0.00 C ATOM 668 O LEU A 45 -0.757 -9.792 -11.059 1.00 0.00 O ATOM 669 CB LEU A 45 -1.599 -7.446 -9.241 1.00 0.00 C ATOM 670 CG LEU A 45 -1.897 -5.951 -9.309 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.383 -5.688 -9.116 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.086 -5.204 -8.266 1.00 0.00 C ATOM 0 H LEU A 45 -3.929 -7.973 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.481 -7.832 -11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.767 -7.790 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.543 -7.603 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.613 -5.589 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.573 -4.616 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.947 -6.195 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.696 -6.065 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.309 -4.139 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.343 -5.573 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.023 -5.363 -8.449 1.00 0.00 H new ATOM 684 N LYS A 46 -2.349 -10.700 -9.752 1.00 0.00 N ATOM 685 CA LYS A 46 -1.808 -12.056 -9.841 1.00 0.00 C ATOM 686 C LYS A 46 -0.547 -12.204 -8.998 1.00 0.00 C ATOM 687 O LYS A 46 0.224 -13.146 -9.174 1.00 0.00 O ATOM 688 CB LYS A 46 -1.503 -12.425 -11.295 1.00 0.00 C ATOM 689 CG LYS A 46 -2.413 -11.741 -12.298 1.00 0.00 C ATOM 690 CD LYS A 46 -2.610 -12.586 -13.545 1.00 0.00 C ATOM 691 CE LYS A 46 -4.084 -12.819 -13.831 1.00 0.00 C ATOM 692 NZ LYS A 46 -4.764 -11.577 -14.292 1.00 0.00 N ATOM 0 H LYS A 46 -3.194 -10.621 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.566 -12.736 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.469 -12.164 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.592 -13.505 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.380 -11.543 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.989 -10.776 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.146 -12.091 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.106 -13.545 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.188 -13.593 -14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.574 -13.188 -12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.768 -11.779 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.687 -10.846 -13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.313 -11.238 -15.166 1.00 0.00 H new ATOM 706 N ILE A 47 -0.350 -11.271 -8.077 1.00 0.00 N ATOM 707 CA ILE A 47 0.809 -11.307 -7.193 1.00 0.00 C ATOM 708 C ILE A 47 0.589 -12.301 -6.054 1.00 0.00 C ATOM 709 O ILE A 47 -0.500 -12.371 -5.485 1.00 0.00 O ATOM 710 CB ILE A 47 1.108 -9.918 -6.597 1.00 0.00 C ATOM 711 CG1 ILE A 47 0.991 -8.841 -7.677 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.494 -9.895 -5.974 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.235 -7.439 -7.163 1.00 0.00 C ATOM 0 H ILE A 47 -0.976 -10.481 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 47 1.661 -11.622 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 47 0.375 -9.710 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.704 -9.057 -8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.004 -8.889 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.689 -8.907 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.549 -10.640 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.239 -10.121 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.136 -6.728 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.505 -7.203 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.240 -7.374 -6.746 1.00 0.00 H new ATOM 725 N PRO A 48 1.619 -13.093 -5.711 1.00 0.00 N ATOM 726 CA PRO A 48 1.526 -14.085 -4.638 1.00 0.00 C ATOM 727 C PRO A 48 0.836 -13.531 -3.396 1.00 0.00 C ATOM 728 O PRO A 48 1.105 -12.405 -2.975 1.00 0.00 O ATOM 729 CB PRO A 48 2.989 -14.414 -4.348 1.00 0.00 C ATOM 730 CG PRO A 48 3.680 -14.209 -5.652 1.00 0.00 C ATOM 731 CD PRO A 48 2.957 -13.079 -6.337 1.00 0.00 C ATOM 0 HA PRO A 48 0.929 -14.951 -4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.397 -13.763 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.103 -15.439 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.731 -13.964 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.647 -15.115 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.463 -12.126 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.897 -13.235 -7.414 1.00 0.00 H new ATOM 739 N GLU A 49 -0.061 -14.325 -2.820 1.00 0.00 N ATOM 740 CA GLU A 49 -0.803 -13.911 -1.634 1.00 0.00 C ATOM 741 C GLU A 49 0.113 -13.805 -0.418 1.00 0.00 C ATOM 742 O GLU A 49 -0.060 -14.526 0.565 1.00 0.00 O ATOM 743 CB GLU A 49 -1.933 -14.901 -1.346 1.00 0.00 C ATOM 744 CG GLU A 49 -3.006 -14.348 -0.421 1.00 0.00 C ATOM 745 CD GLU A 49 -4.105 -15.351 -0.136 1.00 0.00 C ATOM 746 OE1 GLU A 49 -4.219 -16.340 -0.891 1.00 0.00 O ATOM 747 OE2 GLU A 49 -4.855 -15.149 0.842 1.00 0.00 O ATOM 0 H GLU A 49 -0.292 -15.260 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.226 -12.926 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.395 -15.197 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.511 -15.802 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.547 -14.041 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.442 -13.455 -0.869 1.00 0.00 H new ATOM 754 N GLN A 50 1.086 -12.903 -0.491 1.00 0.00 N ATOM 755 CA GLN A 50 2.020 -12.694 0.610 1.00 0.00 C ATOM 756 C GLN A 50 1.445 -11.716 1.628 1.00 0.00 C ATOM 757 O GLN A 50 1.298 -12.043 2.806 1.00 0.00 O ATOM 758 CB GLN A 50 3.355 -12.170 0.081 1.00 0.00 C ATOM 759 CG GLN A 50 3.815 -12.857 -1.193 1.00 0.00 C ATOM 760 CD GLN A 50 4.383 -14.237 -0.941 1.00 0.00 C ATOM 761 OE1 GLN A 50 3.879 -14.987 -0.105 1.00 0.00 O ATOM 762 NE2 GLN A 50 5.439 -14.577 -1.667 1.00 0.00 N ATOM 0 H GLN A 50 1.249 -12.305 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 50 2.184 -13.652 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.268 -11.099 -0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.117 -12.300 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.974 -12.935 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.571 -12.241 -1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.822 -13.922 -2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.868 -15.494 -1.544 1.00 0.00 H new ATOM 771 N TYR A 51 1.123 -10.513 1.164 1.00 0.00 N ATOM 772 CA TYR A 51 0.563 -9.480 2.028 1.00 0.00 C ATOM 773 C TYR A 51 -0.551 -8.726 1.310 1.00 0.00 C ATOM 774 O TYR A 51 -0.693 -7.513 1.467 1.00 0.00 O ATOM 775 CB TYR A 51 1.653 -8.498 2.470 1.00 0.00 C ATOM 776 CG TYR A 51 3.027 -9.121 2.597 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.422 -9.747 3.771 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.926 -9.084 1.538 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.675 -10.318 3.889 1.00 0.00 C ATOM 780 CE2 TYR A 51 5.181 -9.652 1.647 1.00 0.00 C ATOM 781 CZ TYR A 51 5.550 -10.267 2.824 1.00 0.00 C ATOM 782 OH TYR A 51 6.799 -10.834 2.937 1.00 0.00 O ATOM 0 H TYR A 51 1.241 -10.229 0.191 1.00 0.00 H new ATOM 0 HA TYR A 51 0.148 -9.966 2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.702 -7.678 1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.371 -8.066 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.739 -9.789 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.639 -8.603 0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.967 -10.801 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.869 -9.614 0.815 1.00 0.00 H new ATOM 0 HH TYR A 51 7.291 -10.712 2.098 1.00 0.00 H new ATOM 792 N ARG A 52 -1.330 -9.449 0.514 1.00 0.00 N ATOM 793 CA ARG A 52 -2.427 -8.851 -0.234 1.00 0.00 C ATOM 794 C ARG A 52 -3.399 -8.138 0.699 1.00 0.00 C ATOM 795 O ARG A 52 -3.549 -6.918 0.641 1.00 0.00 O ATOM 796 CB ARG A 52 -3.163 -9.925 -1.037 1.00 0.00 C ATOM 797 CG ARG A 52 -3.418 -9.537 -2.485 1.00 0.00 C ATOM 798 CD ARG A 52 -3.051 -10.666 -3.434 1.00 0.00 C ATOM 799 NE ARG A 52 -4.113 -11.663 -3.533 1.00 0.00 N ATOM 800 CZ ARG A 52 -3.915 -12.916 -3.932 1.00 0.00 C ATOM 801 NH1 ARG A 52 -2.699 -13.323 -4.270 1.00 0.00 N ATOM 802 NH2 ARG A 52 -4.934 -13.762 -3.995 1.00 0.00 N ATOM 0 H ARG A 52 -1.221 -10.453 0.370 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.010 -8.114 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.581 -10.846 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.116 -10.138 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.469 -9.278 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.838 -8.648 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.845 -10.256 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.134 -11.145 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.061 -11.382 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.913 -12.674 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.550 -14.285 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.871 -13.452 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.781 -14.723 -4.301 1.00 0.00 H new ATOM 816 N MET A 53 -4.055 -8.906 1.562 1.00 0.00 N ATOM 817 CA MET A 53 -5.011 -8.346 2.510 1.00 0.00 C ATOM 818 C MET A 53 -4.388 -7.198 3.298 1.00 0.00 C ATOM 819 O MET A 53 -5.020 -6.163 3.511 1.00 0.00 O ATOM 820 CB MET A 53 -5.500 -9.430 3.472 1.00 0.00 C ATOM 821 CG MET A 53 -4.376 -10.177 4.171 1.00 0.00 C ATOM 822 SD MET A 53 -3.976 -9.480 5.786 1.00 0.00 S ATOM 823 CE MET A 53 -5.575 -9.552 6.592 1.00 0.00 C ATOM 0 H MET A 53 -3.942 -9.918 1.625 1.00 0.00 H new ATOM 0 HA MET A 53 -5.859 -7.958 1.946 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.144 -8.973 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.111 -10.144 2.921 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.660 -11.223 4.291 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.486 -10.159 3.541 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.445 -9.855 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.045 -8.569 6.557 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.209 -10.276 6.079 1.00 0.00 H new ATOM 833 N THR A 54 -3.145 -7.388 3.732 1.00 0.00 N ATOM 834 CA THR A 54 -2.439 -6.366 4.497 1.00 0.00 C ATOM 835 C THR A 54 -2.455 -5.032 3.760 1.00 0.00 C ATOM 836 O THR A 54 -2.769 -3.993 4.343 1.00 0.00 O ATOM 837 CB THR A 54 -0.993 -6.797 4.756 1.00 0.00 C ATOM 838 OG1 THR A 54 -0.954 -7.953 5.574 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.159 -5.727 5.428 1.00 0.00 C ATOM 0 H THR A 54 -2.607 -8.239 3.567 1.00 0.00 H new ATOM 0 HA THR A 54 -2.951 -6.244 5.451 1.00 0.00 H new ATOM 0 HB THR A 54 -0.570 -6.996 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.852 -8.342 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.854 -6.099 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.128 -4.839 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.602 -5.472 6.391 1.00 0.00 H new ATOM 847 N ILE A 55 -2.112 -5.068 2.478 1.00 0.00 N ATOM 848 CA ILE A 55 -2.086 -3.861 1.664 1.00 0.00 C ATOM 849 C ILE A 55 -3.479 -3.246 1.550 1.00 0.00 C ATOM 850 O ILE A 55 -3.643 -2.033 1.679 1.00 0.00 O ATOM 851 CB ILE A 55 -1.533 -4.143 0.254 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.124 -4.731 0.344 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.528 -2.871 -0.582 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.285 -5.509 -0.889 1.00 0.00 C ATOM 0 H ILE A 55 -1.849 -5.919 1.981 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.423 -3.154 2.164 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.182 -4.871 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.589 -3.923 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.067 -5.386 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.134 -3.090 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.545 -2.490 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.901 -2.121 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.295 -5.897 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.406 -6.338 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.261 -4.852 -1.758 1.00 0.00 H new ATOM 866 N TRP A 56 -4.479 -4.091 1.317 1.00 0.00 N ATOM 867 CA TRP A 56 -5.855 -3.628 1.202 1.00 0.00 C ATOM 868 C TRP A 56 -6.270 -2.868 2.463 1.00 0.00 C ATOM 869 O TRP A 56 -6.705 -1.719 2.390 1.00 0.00 O ATOM 870 CB TRP A 56 -6.782 -4.826 0.952 1.00 0.00 C ATOM 871 CG TRP A 56 -8.235 -4.548 1.194 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.946 -3.453 0.792 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.155 -5.386 1.898 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.252 -3.564 1.205 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.402 -4.740 1.884 1.00 0.00 C ATOM 876 CE3 TRP A 56 -9.042 -6.622 2.538 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.530 -5.283 2.484 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.164 -7.165 3.136 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.395 -6.496 3.105 1.00 0.00 C ATOM 0 H TRP A 56 -4.361 -5.098 1.205 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.934 -2.943 0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.655 -5.159 -0.078 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.471 -5.650 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.541 -2.623 0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.989 -2.880 1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.097 -7.144 2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.479 -4.768 2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.091 -8.120 3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.254 -6.946 3.580 1.00 0.00 H new ATOM 890 N ARG A 57 -6.128 -3.516 3.615 1.00 0.00 N ATOM 891 CA ARG A 57 -6.492 -2.898 4.886 1.00 0.00 C ATOM 892 C ARG A 57 -5.691 -1.621 5.122 1.00 0.00 C ATOM 893 O ARG A 57 -6.173 -0.684 5.759 1.00 0.00 O ATOM 894 CB ARG A 57 -6.271 -3.880 6.041 1.00 0.00 C ATOM 895 CG ARG A 57 -4.811 -4.234 6.276 1.00 0.00 C ATOM 896 CD ARG A 57 -4.519 -4.444 7.753 1.00 0.00 C ATOM 897 NE ARG A 57 -4.108 -3.207 8.411 1.00 0.00 N ATOM 898 CZ ARG A 57 -3.877 -3.108 9.716 1.00 0.00 C ATOM 899 NH1 ARG A 57 -4.017 -4.168 10.499 1.00 0.00 N ATOM 900 NH2 ARG A 57 -3.506 -1.947 10.239 1.00 0.00 N ATOM 0 H ARG A 57 -5.765 -4.466 3.695 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.549 -2.636 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.682 -3.450 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.829 -4.795 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.561 -5.139 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.176 -3.438 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.408 -4.839 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.734 -5.192 7.865 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.992 -2.372 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.303 -5.062 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.839 -4.089 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.398 -1.129 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.329 -1.872 11.241 1.00 0.00 H new ATOM 914 N GLY A 58 -4.470 -1.586 4.599 1.00 0.00 N ATOM 915 CA GLY A 58 -3.634 -0.412 4.749 1.00 0.00 C ATOM 916 C GLY A 58 -4.017 0.680 3.773 1.00 0.00 C ATOM 917 O GLY A 58 -3.804 1.863 4.035 1.00 0.00 O ATOM 0 H GLY A 58 -4.045 -2.350 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.718 -0.034 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.590 -0.687 4.595 1.00 0.00 H new ATOM 921 N LEU A 59 -4.597 0.277 2.648 1.00 0.00 N ATOM 922 CA LEU A 59 -5.034 1.225 1.633 1.00 0.00 C ATOM 923 C LEU A 59 -6.385 1.823 2.008 1.00 0.00 C ATOM 924 O LEU A 59 -6.610 3.022 1.847 1.00 0.00 O ATOM 925 CB LEU A 59 -5.128 0.537 0.268 1.00 0.00 C ATOM 926 CG LEU A 59 -4.071 0.973 -0.748 1.00 0.00 C ATOM 927 CD1 LEU A 59 -2.692 0.994 -0.106 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.086 0.051 -1.957 1.00 0.00 C ATOM 0 H LEU A 59 -4.775 -0.700 2.417 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.299 2.028 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.048 -0.540 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.115 0.729 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.308 1.983 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.952 1.306 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.690 1.694 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.444 -0.004 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.328 0.375 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.873 -0.970 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.068 0.086 -2.429 1.00 0.00 H new ATOM 940 N GLN A 60 -7.278 0.978 2.513 1.00 0.00 N ATOM 941 CA GLN A 60 -8.600 1.429 2.928 1.00 0.00 C ATOM 942 C GLN A 60 -8.484 2.432 4.070 1.00 0.00 C ATOM 943 O GLN A 60 -9.335 3.306 4.232 1.00 0.00 O ATOM 944 CB GLN A 60 -9.459 0.237 3.360 1.00 0.00 C ATOM 945 CG GLN A 60 -9.010 -0.398 4.665 1.00 0.00 C ATOM 946 CD GLN A 60 -9.889 -1.563 5.078 1.00 0.00 C ATOM 947 OE1 GLN A 60 -10.313 -1.659 6.229 1.00 0.00 O ATOM 948 NE2 GLN A 60 -10.168 -2.457 4.135 1.00 0.00 N ATOM 0 H GLN A 60 -7.110 -0.020 2.644 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.080 1.917 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.494 0.564 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.440 -0.517 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.981 -0.742 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.017 0.355 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.795 -2.338 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.755 -3.262 4.353 1.00 0.00 H new ATOM 957 N ASP A 61 -7.412 2.308 4.845 1.00 0.00 N ATOM 958 CA ASP A 61 -7.166 3.214 5.960 1.00 0.00 C ATOM 959 C ASP A 61 -6.970 4.640 5.457 1.00 0.00 C ATOM 960 O ASP A 61 -7.301 5.605 6.147 1.00 0.00 O ATOM 961 CB ASP A 61 -5.932 2.763 6.746 1.00 0.00 C ATOM 962 CG ASP A 61 -6.107 2.933 8.243 1.00 0.00 C ATOM 963 OD1 ASP A 61 -7.210 3.332 8.671 1.00 0.00 O ATOM 964 OD2 ASP A 61 -5.141 2.665 8.988 1.00 0.00 O ATOM 0 H ASP A 61 -6.700 1.589 4.721 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.034 3.192 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.725 1.716 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.065 3.336 6.417 1.00 0.00 H new ATOM 969 N LEU A 62 -6.431 4.763 4.248 1.00 0.00 N ATOM 970 CA LEU A 62 -6.200 6.067 3.641 1.00 0.00 C ATOM 971 C LEU A 62 -7.522 6.766 3.350 1.00 0.00 C ATOM 972 O LEU A 62 -7.727 7.919 3.733 1.00 0.00 O ATOM 973 CB LEU A 62 -5.400 5.914 2.344 1.00 0.00 C ATOM 974 CG LEU A 62 -3.924 5.556 2.531 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.425 4.735 1.352 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.087 6.814 2.701 1.00 0.00 C ATOM 0 H LEU A 62 -6.146 3.973 3.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.630 6.674 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.870 5.143 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.464 6.847 1.784 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.825 4.956 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.374 4.488 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.006 3.816 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.537 5.312 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.040 6.540 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.189 7.441 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.431 7.364 3.577 1.00 0.00 H new ATOM 988 N LYS A 63 -8.417 6.056 2.672 1.00 0.00 N ATOM 989 CA LYS A 63 -9.725 6.598 2.327 1.00 0.00 C ATOM 990 C LYS A 63 -10.467 7.075 3.570 1.00 0.00 C ATOM 991 O LYS A 63 -11.035 8.167 3.585 1.00 0.00 O ATOM 992 CB LYS A 63 -10.558 5.542 1.600 1.00 0.00 C ATOM 993 CG LYS A 63 -11.985 5.982 1.321 1.00 0.00 C ATOM 994 CD LYS A 63 -12.706 4.991 0.421 1.00 0.00 C ATOM 995 CE LYS A 63 -12.034 4.885 -0.939 1.00 0.00 C ATOM 996 NZ LYS A 63 -13.024 4.685 -2.034 1.00 0.00 N ATOM 0 H LYS A 63 -8.259 5.101 2.350 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.572 7.453 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.072 5.294 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.578 4.631 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.527 6.082 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.979 6.965 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.723 4.011 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.743 5.301 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.458 5.790 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.328 4.054 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.526 4.618 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.556 3.808 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.682 5.490 -2.058 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.453 6.250 4.614 1.00 0.00 N ATOM 1011 CA GLN A 64 -11.130 6.583 5.865 1.00 0.00 C ATOM 1012 C GLN A 64 -10.810 8.010 6.302 1.00 0.00 C ATOM 1013 O GLN A 64 -11.700 8.764 6.695 1.00 0.00 O ATOM 1014 CB GLN A 64 -10.728 5.598 6.965 1.00 0.00 C ATOM 1015 CG GLN A 64 -11.592 4.348 7.008 1.00 0.00 C ATOM 1016 CD GLN A 64 -11.786 3.820 8.415 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -11.343 4.432 9.387 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -12.449 2.675 8.531 1.00 0.00 N ATOM 0 H GLN A 64 -9.980 5.346 4.619 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.204 6.510 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.688 5.306 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.784 6.101 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.565 4.569 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.134 3.573 6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.799 2.202 7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.608 2.269 9.453 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.534 8.377 6.222 1.00 0.00 N ATOM 1028 CA GLY A 65 -9.124 9.715 6.608 1.00 0.00 C ATOM 1029 C GLY A 65 -8.125 9.710 7.748 1.00 0.00 C ATOM 1030 O GLY A 65 -7.396 10.683 7.947 1.00 0.00 O ATOM 0 H GLY A 65 -8.779 7.773 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.685 10.220 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.002 10.290 6.901 1.00 0.00 H new ATOM 1034 N HIS A 66 -8.090 8.616 8.500 1.00 0.00 N ATOM 1035 CA HIS A 66 -7.173 8.493 9.626 1.00 0.00 C ATOM 1036 C HIS A 66 -5.957 7.653 9.251 1.00 0.00 C ATOM 1037 O HIS A 66 -6.081 6.626 8.584 1.00 0.00 O ATOM 1038 CB HIS A 66 -7.886 7.869 10.826 1.00 0.00 C ATOM 1039 CG HIS A 66 -7.986 8.785 12.006 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -8.761 9.926 12.011 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -7.399 8.726 13.226 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -8.649 10.528 13.181 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -7.829 9.819 13.935 1.00 0.00 N ATOM 0 H HIS A 66 -8.686 7.802 8.350 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.832 9.493 9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.889 7.567 10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.356 6.964 11.123 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.720 7.962 13.575 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.143 11.443 13.471 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.559 10.047 14.892 1.00 0.00 H new ATOM 1052 N ASP A 67 -4.782 8.096 9.686 1.00 0.00 N ATOM 1053 CA ASP A 67 -3.542 7.386 9.398 1.00 0.00 C ATOM 1054 C ASP A 67 -2.337 8.177 9.890 1.00 0.00 C ATOM 1055 O ASP A 67 -2.230 9.379 9.648 1.00 0.00 O ATOM 1056 CB ASP A 67 -3.416 7.123 7.897 1.00 0.00 C ATOM 1057 CG ASP A 67 -3.765 8.341 7.065 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -2.965 9.300 7.051 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -4.838 8.336 6.426 1.00 0.00 O ATOM 0 H ASP A 67 -4.663 8.944 10.240 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.568 6.432 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.396 6.811 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.071 6.297 7.619 1.00 0.00 H new ATOM 1064 N TYR A 68 -1.437 7.495 10.588 1.00 0.00 N ATOM 1065 CA TYR A 68 -0.234 8.131 11.108 1.00 0.00 C ATOM 1066 C TYR A 68 -0.585 9.372 11.927 1.00 0.00 C ATOM 1067 O TYR A 68 0.344 9.998 12.477 1.00 0.00 O ATOM 1068 CB TYR A 68 0.696 8.495 9.947 1.00 0.00 C ATOM 1069 CG TYR A 68 1.824 9.436 10.320 1.00 0.00 C ATOM 1070 CD1 TYR A 68 1.645 10.814 10.285 1.00 0.00 C ATOM 1071 CD2 TYR A 68 3.065 8.945 10.703 1.00 0.00 C ATOM 1072 CE1 TYR A 68 2.672 11.675 10.623 1.00 0.00 C ATOM 1073 CE2 TYR A 68 4.096 9.800 11.044 1.00 0.00 C ATOM 1074 CZ TYR A 68 3.895 11.163 11.002 1.00 0.00 C ATOM 1075 OH TYR A 68 4.919 12.017 11.340 1.00 0.00 O ATOM 1076 OXT TYR A 68 -1.786 9.704 12.013 1.00 0.00 O ATOM 0 H TYR A 68 -1.518 6.502 10.807 1.00 0.00 H new ATOM 0 HA TYR A 68 0.278 7.431 11.769 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.123 7.579 9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.105 8.952 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.688 11.218 9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.227 7.878 10.735 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.517 12.743 10.590 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.055 9.402 11.342 1.00 0.00 H new ATOM 0 HH TYR A 68 5.712 11.496 11.584 1.00 0.00 H new TER 1086 TYR A 68