USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 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 25 SER OG : rot -72:sc= 0.534 USER MOD Set 1.2: A 26 GLN : amide:sc= -0.626 X(o=-0.092,f=-0.29!) USER MOD Single : A 1 TYR N :NH3+ 150:sc= 0.833 (180deg=0.354) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.95) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 90:sc= -3.7 USER MOD Single : A 18 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.5!) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0397 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -19:sc= 0.565 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.014) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 38 THR OG1 : rot 148:sc= 0.179 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.117 K(o=-0.12,f=-3.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -3.35 F(o=-5.6!,f=-3.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.59! C(o=-1.6!,f=-2.2!) USER MOD Single : A 66 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.21) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 8.618 21.271 1.273 1.00 0.00 N ATOM 2 CA TYR A 1 7.137 21.183 1.175 1.00 0.00 C ATOM 3 C TYR A 1 6.698 19.812 0.670 1.00 0.00 C ATOM 4 O TYR A 1 6.946 19.455 -0.482 1.00 0.00 O ATOM 5 CB TYR A 1 6.648 22.277 0.222 1.00 0.00 C ATOM 6 CG TYR A 1 7.378 23.591 0.380 1.00 0.00 C ATOM 7 CD1 TYR A 1 7.400 24.254 1.601 1.00 0.00 C ATOM 8 CD2 TYR A 1 8.048 24.167 -0.691 1.00 0.00 C ATOM 9 CE1 TYR A 1 8.068 25.454 1.749 1.00 0.00 C ATOM 10 CE2 TYR A 1 8.719 25.368 -0.551 1.00 0.00 C ATOM 11 CZ TYR A 1 8.725 26.007 0.671 1.00 0.00 C ATOM 12 OH TYR A 1 9.392 27.202 0.815 1.00 0.00 O ATOM 0 H1 TYR A 1 8.919 22.254 1.114 1.00 0.00 H new ATOM 0 H2 TYR A 1 8.922 20.965 2.219 1.00 0.00 H new ATOM 0 H3 TYR A 1 9.051 20.656 0.554 1.00 0.00 H new ATOM 0 HA TYR A 1 6.703 21.322 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 1 6.762 21.929 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 1 5.583 22.441 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 1 6.886 23.824 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 1 8.045 23.669 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 1 8.075 25.957 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 1 9.235 25.803 -1.394 1.00 0.00 H new ATOM 0 HH TYR A 1 9.802 27.453 -0.039 1.00 0.00 H new ATOM 24 N HIS A 2 6.049 19.047 1.540 1.00 0.00 N ATOM 25 CA HIS A 2 5.578 17.714 1.182 1.00 0.00 C ATOM 26 C HIS A 2 6.748 16.751 1.004 1.00 0.00 C ATOM 27 O HIS A 2 7.900 17.108 1.247 1.00 0.00 O ATOM 28 CB HIS A 2 4.752 17.772 -0.104 1.00 0.00 C ATOM 29 CG HIS A 2 3.845 18.960 -0.180 1.00 0.00 C ATOM 30 ND1 HIS A 2 3.263 19.533 0.931 1.00 0.00 N ATOM 31 CD2 HIS A 2 3.419 19.684 -1.241 1.00 0.00 C ATOM 32 CE1 HIS A 2 2.519 20.559 0.556 1.00 0.00 C ATOM 33 NE2 HIS A 2 2.597 20.671 -0.756 1.00 0.00 N ATOM 0 H HIS A 2 5.837 19.326 2.498 1.00 0.00 H new ATOM 0 HA HIS A 2 4.951 17.348 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.427 17.786 -0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.155 16.864 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.677 19.517 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.945 21.197 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 2 2.123 21.377 -1.319 1.00 0.00 H new ATOM 42 N ALA A 3 6.443 15.532 0.576 1.00 0.00 N ATOM 43 CA ALA A 3 7.468 14.517 0.365 1.00 0.00 C ATOM 44 C ALA A 3 7.215 13.739 -0.922 1.00 0.00 C ATOM 45 O ALA A 3 6.083 13.356 -1.215 1.00 0.00 O ATOM 46 CB ALA A 3 7.528 13.571 1.554 1.00 0.00 C ATOM 0 H ALA A 3 5.494 15.222 0.368 1.00 0.00 H new ATOM 0 HA ALA A 3 8.429 15.022 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.298 12.819 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.767 14.135 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.563 13.080 1.678 1.00 0.00 H new ATOM 52 N ASP A 4 8.278 13.507 -1.685 1.00 0.00 N ATOM 53 CA ASP A 4 8.172 12.772 -2.939 1.00 0.00 C ATOM 54 C ASP A 4 7.761 11.323 -2.690 1.00 0.00 C ATOM 55 O ASP A 4 6.811 10.826 -3.293 1.00 0.00 O ATOM 56 CB ASP A 4 9.503 12.813 -3.693 1.00 0.00 C ATOM 57 CG ASP A 4 9.527 13.881 -4.767 1.00 0.00 C ATOM 58 OD1 ASP A 4 9.535 15.079 -4.413 1.00 0.00 O ATOM 59 OD2 ASP A 4 9.537 13.520 -5.963 1.00 0.00 O ATOM 0 H ASP A 4 9.222 13.818 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 4 7.403 13.250 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.312 12.995 -2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.690 11.840 -4.148 1.00 0.00 H new ATOM 64 N PRO A 5 8.475 10.625 -1.790 1.00 0.00 N ATOM 65 CA PRO A 5 8.187 9.230 -1.464 1.00 0.00 C ATOM 66 C PRO A 5 7.079 9.093 -0.426 1.00 0.00 C ATOM 67 O PRO A 5 7.287 8.526 0.647 1.00 0.00 O ATOM 68 CB PRO A 5 9.515 8.738 -0.897 1.00 0.00 C ATOM 69 CG PRO A 5 10.110 9.940 -0.243 1.00 0.00 C ATOM 70 CD PRO A 5 9.628 11.140 -1.023 1.00 0.00 C ATOM 0 HA PRO A 5 7.833 8.666 -2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.366 7.930 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.164 8.352 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.801 10.006 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.199 9.886 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.336 11.955 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.405 11.527 -1.682 1.00 0.00 H new ATOM 78 N SER A 6 5.902 9.620 -0.750 1.00 0.00 N ATOM 79 CA SER A 6 4.763 9.560 0.159 1.00 0.00 C ATOM 80 C SER A 6 4.085 8.198 0.098 1.00 0.00 C ATOM 81 O SER A 6 3.497 7.744 1.079 1.00 0.00 O ATOM 82 CB SER A 6 3.755 10.660 -0.180 1.00 0.00 C ATOM 83 OG SER A 6 2.663 10.648 0.724 1.00 0.00 O ATOM 0 H SER A 6 5.713 10.093 -1.634 1.00 0.00 H new ATOM 0 HA SER A 6 5.133 9.714 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.248 11.632 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.390 10.522 -1.198 1.00 0.00 H new ATOM 0 HG SER A 6 2.034 11.361 0.487 1.00 0.00 H new ATOM 89 N LEU A 7 4.169 7.547 -1.057 1.00 0.00 N ATOM 90 CA LEU A 7 3.562 6.234 -1.230 1.00 0.00 C ATOM 91 C LEU A 7 4.541 5.125 -0.862 1.00 0.00 C ATOM 92 O LEU A 7 4.285 4.337 0.045 1.00 0.00 O ATOM 93 CB LEU A 7 3.081 6.037 -2.675 1.00 0.00 C ATOM 94 CG LEU A 7 1.951 5.007 -2.875 1.00 0.00 C ATOM 95 CD1 LEU A 7 2.068 4.351 -4.238 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.960 3.945 -1.779 1.00 0.00 C ATOM 0 H LEU A 7 4.649 7.905 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 7 2.703 6.182 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.741 6.999 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.934 5.735 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 7 1.003 5.542 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.263 3.627 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.996 5.112 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.029 3.843 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.150 3.236 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.913 3.417 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.823 4.422 -0.809 1.00 0.00 H new ATOM 108 N VAL A 8 5.662 5.068 -1.578 1.00 0.00 N ATOM 109 CA VAL A 8 6.677 4.042 -1.344 1.00 0.00 C ATOM 110 C VAL A 8 6.928 3.822 0.147 1.00 0.00 C ATOM 111 O VAL A 8 7.159 2.695 0.586 1.00 0.00 O ATOM 112 CB VAL A 8 8.008 4.408 -2.027 1.00 0.00 C ATOM 113 CG1 VAL A 8 7.804 4.602 -3.522 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.607 5.656 -1.396 1.00 0.00 C ATOM 0 H VAL A 8 5.891 5.722 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 8 6.289 3.119 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 8 8.708 3.585 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.755 4.860 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.424 3.679 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.087 5.406 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.547 5.899 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.913 6.489 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.791 5.476 -0.337 1.00 0.00 H new ATOM 124 N SER A 9 6.875 4.903 0.919 1.00 0.00 N ATOM 125 CA SER A 9 7.103 4.825 2.356 1.00 0.00 C ATOM 126 C SER A 9 6.117 3.869 3.017 1.00 0.00 C ATOM 127 O SER A 9 6.510 2.971 3.761 1.00 0.00 O ATOM 128 CB SER A 9 6.989 6.213 2.989 1.00 0.00 C ATOM 129 OG SER A 9 6.625 6.125 4.357 1.00 0.00 O ATOM 0 H SER A 9 6.676 5.842 0.573 1.00 0.00 H new ATOM 0 HA SER A 9 8.111 4.442 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.940 6.737 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.247 6.802 2.450 1.00 0.00 H new ATOM 0 HG SER A 9 6.561 7.026 4.737 1.00 0.00 H new ATOM 135 N PHE A 10 4.835 4.072 2.743 1.00 0.00 N ATOM 136 CA PHE A 10 3.789 3.234 3.319 1.00 0.00 C ATOM 137 C PHE A 10 3.699 1.890 2.604 1.00 0.00 C ATOM 138 O PHE A 10 3.480 0.855 3.234 1.00 0.00 O ATOM 139 CB PHE A 10 2.439 3.951 3.249 1.00 0.00 C ATOM 140 CG PHE A 10 1.768 4.104 4.584 1.00 0.00 C ATOM 141 CD1 PHE A 10 1.544 3.001 5.393 1.00 0.00 C ATOM 142 CD2 PHE A 10 1.355 5.350 5.028 1.00 0.00 C ATOM 143 CE1 PHE A 10 0.925 3.139 6.620 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.736 5.494 6.253 1.00 0.00 C ATOM 145 CZ PHE A 10 0.519 4.387 7.052 1.00 0.00 C ATOM 0 H PHE A 10 4.494 4.809 2.126 1.00 0.00 H new ATOM 0 HA PHE A 10 4.046 3.049 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.584 4.938 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.778 3.399 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.857 2.022 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.520 6.219 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.758 2.272 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.421 6.471 6.587 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.034 4.497 8.011 1.00 0.00 H new ATOM 155 N LEU A 11 3.868 1.911 1.286 1.00 0.00 N ATOM 156 CA LEU A 11 3.805 0.695 0.480 1.00 0.00 C ATOM 157 C LEU A 11 4.628 -0.422 1.107 1.00 0.00 C ATOM 158 O LEU A 11 4.114 -1.501 1.401 1.00 0.00 O ATOM 159 CB LEU A 11 4.310 0.975 -0.936 1.00 0.00 C ATOM 160 CG LEU A 11 3.655 0.139 -2.038 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.870 -1.346 -1.781 1.00 0.00 C ATOM 162 CD2 LEU A 11 2.171 0.456 -2.135 1.00 0.00 C ATOM 0 H LEU A 11 4.050 2.760 0.751 1.00 0.00 H new ATOM 0 HA LEU A 11 2.764 0.374 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.151 2.030 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.386 0.802 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 11 4.124 0.393 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.397 -1.925 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.938 -1.561 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.428 -1.617 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.721 -0.147 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.688 0.230 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.039 1.513 -2.367 1.00 0.00 H new ATOM 174 N THR A 12 5.908 -0.151 1.311 1.00 0.00 N ATOM 175 CA THR A 12 6.811 -1.127 1.907 1.00 0.00 C ATOM 176 C THR A 12 6.510 -1.308 3.390 1.00 0.00 C ATOM 177 O THR A 12 6.353 -2.433 3.868 1.00 0.00 O ATOM 178 CB THR A 12 8.262 -0.684 1.717 1.00 0.00 C ATOM 179 OG1 THR A 12 8.510 -0.347 0.363 1.00 0.00 O ATOM 180 CG2 THR A 12 9.270 -1.736 2.122 1.00 0.00 C ATOM 0 H THR A 12 6.347 0.738 1.072 1.00 0.00 H new ATOM 0 HA THR A 12 6.661 -2.084 1.407 1.00 0.00 H new ATOM 0 HB THR A 12 8.386 0.181 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.443 -0.064 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.278 -1.355 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.138 -1.979 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.121 -2.633 1.521 1.00 0.00 H new ATOM 188 N GLY A 13 6.429 -0.193 4.110 1.00 0.00 N ATOM 189 CA GLY A 13 6.147 -0.245 5.534 1.00 0.00 C ATOM 190 C GLY A 13 4.940 -1.104 5.849 1.00 0.00 C ATOM 191 O GLY A 13 4.862 -1.715 6.916 1.00 0.00 O ATOM 0 H GLY A 13 6.554 0.746 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.017 -0.637 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.978 0.766 5.906 1.00 0.00 H new ATOM 195 N LEU A 14 4.000 -1.157 4.913 1.00 0.00 N ATOM 196 CA LEU A 14 2.798 -1.957 5.076 1.00 0.00 C ATOM 197 C LEU A 14 3.142 -3.427 5.306 1.00 0.00 C ATOM 198 O LEU A 14 2.315 -4.197 5.795 1.00 0.00 O ATOM 199 CB LEU A 14 1.927 -1.817 3.828 1.00 0.00 C ATOM 200 CG LEU A 14 0.442 -1.579 4.091 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.250 -0.481 5.125 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.268 -1.223 2.797 1.00 0.00 C ATOM 0 H LEU A 14 4.050 -0.651 4.029 1.00 0.00 H new ATOM 0 HA LEU A 14 2.256 -1.597 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.310 -0.991 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.032 -2.721 3.228 1.00 0.00 H new ATOM 0 HG LEU A 14 0.008 -2.497 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.815 -0.327 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.731 -0.772 6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.696 0.444 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.326 -1.056 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.170 -0.317 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.158 -2.041 2.085 1.00 0.00 H new ATOM 214 N GLY A 15 4.364 -3.810 4.946 1.00 0.00 N ATOM 215 CA GLY A 15 4.791 -5.186 5.106 1.00 0.00 C ATOM 216 C GLY A 15 5.113 -5.848 3.780 1.00 0.00 C ATOM 217 O GLY A 15 5.212 -7.072 3.700 1.00 0.00 O ATOM 0 H GLY A 15 5.067 -3.189 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.671 -5.218 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.007 -5.751 5.610 1.00 0.00 H new ATOM 221 N CYS A 16 5.279 -5.038 2.735 1.00 0.00 N ATOM 222 CA CYS A 16 5.591 -5.561 1.409 1.00 0.00 C ATOM 223 C CYS A 16 6.888 -4.959 0.876 1.00 0.00 C ATOM 224 O CYS A 16 6.869 -4.136 -0.040 1.00 0.00 O ATOM 225 CB CYS A 16 4.445 -5.262 0.440 1.00 0.00 C ATOM 226 SG CYS A 16 2.802 -5.607 1.110 1.00 0.00 S ATOM 0 H CYS A 16 5.203 -4.022 2.782 1.00 0.00 H new ATOM 0 HA CYS A 16 5.719 -6.640 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.494 -4.213 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.587 -5.851 -0.466 1.00 0.00 H new ATOM 0 HG CYS A 16 2.343 -4.545 1.703 1.00 0.00 H new ATOM 232 N PRO A 17 8.038 -5.369 1.438 1.00 0.00 N ATOM 233 CA PRO A 17 9.345 -4.859 1.024 1.00 0.00 C ATOM 234 C PRO A 17 9.906 -5.576 -0.203 1.00 0.00 C ATOM 235 O PRO A 17 11.050 -5.340 -0.595 1.00 0.00 O ATOM 236 CB PRO A 17 10.215 -5.140 2.245 1.00 0.00 C ATOM 237 CG PRO A 17 9.633 -6.378 2.840 1.00 0.00 C ATOM 238 CD PRO A 17 8.153 -6.341 2.543 1.00 0.00 C ATOM 0 HA PRO A 17 9.299 -3.810 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.258 -5.287 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.189 -4.310 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.093 -7.268 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.812 -6.413 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.779 -7.323 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.578 -6.026 3.414 1.00 0.00 H new ATOM 246 N ASN A 18 9.107 -6.452 -0.808 1.00 0.00 N ATOM 247 CA ASN A 18 9.546 -7.193 -1.985 1.00 0.00 C ATOM 248 C ASN A 18 8.395 -7.428 -2.961 1.00 0.00 C ATOM 249 O ASN A 18 8.486 -8.282 -3.844 1.00 0.00 O ATOM 250 CB ASN A 18 10.155 -8.534 -1.567 1.00 0.00 C ATOM 251 CG ASN A 18 10.998 -8.422 -0.312 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.964 -7.660 -0.264 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.633 -9.181 0.716 1.00 0.00 N ATOM 0 H ASN A 18 8.157 -6.665 -0.504 1.00 0.00 H new ATOM 0 HA ASN A 18 10.301 -6.593 -2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.356 -9.256 -1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.769 -8.920 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.160 -9.146 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.825 -9.799 0.633 1.00 0.00 H new ATOM 260 N CYS A 19 7.317 -6.663 -2.808 1.00 0.00 N ATOM 261 CA CYS A 19 6.156 -6.801 -3.680 1.00 0.00 C ATOM 262 C CYS A 19 5.890 -5.516 -4.461 1.00 0.00 C ATOM 263 O CYS A 19 5.233 -5.541 -5.501 1.00 0.00 O ATOM 264 CB CYS A 19 4.920 -7.178 -2.859 1.00 0.00 C ATOM 265 SG CYS A 19 5.222 -8.453 -1.614 1.00 0.00 S ATOM 0 H CYS A 19 7.224 -5.944 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 19 6.369 -7.594 -4.396 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.540 -6.285 -2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.139 -7.524 -3.536 1.00 0.00 H new ATOM 0 HG CYS A 19 4.120 -8.701 -0.971 1.00 0.00 H new ATOM 271 N ILE A 20 6.406 -4.397 -3.961 1.00 0.00 N ATOM 272 CA ILE A 20 6.218 -3.112 -4.622 1.00 0.00 C ATOM 273 C ILE A 20 6.577 -3.201 -6.101 1.00 0.00 C ATOM 274 O ILE A 20 5.908 -2.610 -6.948 1.00 0.00 O ATOM 275 CB ILE A 20 7.061 -2.008 -3.961 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.787 -0.658 -4.627 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.540 -2.354 -4.042 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.976 0.524 -3.702 1.00 0.00 C ATOM 0 H ILE A 20 6.956 -4.355 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 20 5.164 -2.855 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 20 6.780 -1.936 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.448 -0.545 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.766 -0.651 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.125 -1.564 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.722 -3.297 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.835 -2.449 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.764 1.447 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.296 0.436 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.004 0.543 -3.341 1.00 0.00 H new ATOM 290 N GLU A 21 7.630 -3.952 -6.406 1.00 0.00 N ATOM 291 CA GLU A 21 8.063 -4.129 -7.786 1.00 0.00 C ATOM 292 C GLU A 21 6.898 -4.585 -8.658 1.00 0.00 C ATOM 293 O GLU A 21 6.678 -4.051 -9.745 1.00 0.00 O ATOM 294 CB GLU A 21 9.203 -5.146 -7.861 1.00 0.00 C ATOM 295 CG GLU A 21 9.047 -6.308 -6.893 1.00 0.00 C ATOM 296 CD GLU A 21 10.141 -6.344 -5.842 1.00 0.00 C ATOM 297 OE1 GLU A 21 10.653 -5.264 -5.481 1.00 0.00 O ATOM 298 OE2 GLU A 21 10.485 -7.453 -5.382 1.00 0.00 O ATOM 0 H GLU A 21 8.198 -4.446 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 21 8.423 -3.169 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.264 -5.536 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.146 -4.638 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.077 -6.238 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.054 -7.244 -7.451 1.00 0.00 H new ATOM 305 N TYR A 22 6.149 -5.568 -8.168 1.00 0.00 N ATOM 306 CA TYR A 22 4.993 -6.078 -8.895 1.00 0.00 C ATOM 307 C TYR A 22 3.874 -5.045 -8.902 1.00 0.00 C ATOM 308 O TYR A 22 3.198 -4.852 -9.912 1.00 0.00 O ATOM 309 CB TYR A 22 4.503 -7.384 -8.266 1.00 0.00 C ATOM 310 CG TYR A 22 5.550 -8.474 -8.254 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.543 -8.495 -7.284 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.556 -9.470 -9.222 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.507 -9.483 -7.271 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.517 -10.463 -9.217 1.00 0.00 C ATOM 315 CZ TYR A 22 7.491 -10.466 -8.240 1.00 0.00 C ATOM 316 OH TYR A 22 8.451 -11.451 -8.230 1.00 0.00 O ATOM 0 H TYR A 22 6.322 -6.026 -7.273 1.00 0.00 H new ATOM 0 HA TYR A 22 5.291 -6.277 -9.924 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.182 -7.188 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.628 -7.736 -8.813 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.562 -7.725 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.798 -9.468 -9.991 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.270 -9.487 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.506 -11.233 -9.974 1.00 0.00 H new ATOM 0 HH TYR A 22 8.297 -12.065 -8.978 1.00 0.00 H new ATOM 326 N PHE A 23 3.701 -4.367 -7.772 1.00 0.00 N ATOM 327 CA PHE A 23 2.685 -3.329 -7.652 1.00 0.00 C ATOM 328 C PHE A 23 2.977 -2.182 -8.613 1.00 0.00 C ATOM 329 O PHE A 23 2.135 -1.813 -9.431 1.00 0.00 O ATOM 330 CB PHE A 23 2.629 -2.804 -6.216 1.00 0.00 C ATOM 331 CG PHE A 23 1.799 -3.654 -5.296 1.00 0.00 C ATOM 332 CD1 PHE A 23 0.417 -3.556 -5.299 1.00 0.00 C ATOM 333 CD2 PHE A 23 2.402 -4.548 -4.428 1.00 0.00 C ATOM 334 CE1 PHE A 23 -0.349 -4.336 -4.453 1.00 0.00 C ATOM 335 CE2 PHE A 23 1.642 -5.331 -3.579 1.00 0.00 C ATOM 336 CZ PHE A 23 0.265 -5.223 -3.592 1.00 0.00 C ATOM 0 H PHE A 23 4.251 -4.518 -6.927 1.00 0.00 H new ATOM 0 HA PHE A 23 1.719 -3.764 -7.908 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.643 -2.740 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.226 -1.791 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.067 -2.862 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.478 -4.635 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.426 -4.252 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.124 -6.026 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.331 -5.832 -2.929 1.00 0.00 H new ATOM 346 N THR A 24 4.185 -1.631 -8.517 1.00 0.00 N ATOM 347 CA THR A 24 4.594 -0.531 -9.383 1.00 0.00 C ATOM 348 C THR A 24 4.353 -0.873 -10.851 1.00 0.00 C ATOM 349 O THR A 24 4.094 0.008 -11.669 1.00 0.00 O ATOM 350 CB THR A 24 6.072 -0.203 -9.166 1.00 0.00 C ATOM 351 OG1 THR A 24 6.885 -1.319 -9.489 1.00 0.00 O ATOM 352 CG2 THR A 24 6.393 0.205 -7.746 1.00 0.00 C ATOM 0 H THR A 24 4.896 -1.929 -7.849 1.00 0.00 H new ATOM 0 HA THR A 24 3.992 0.340 -9.125 1.00 0.00 H new ATOM 0 HB THR A 24 6.281 0.641 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.341 -2.134 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.458 0.423 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.818 1.093 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.135 -0.607 -7.067 1.00 0.00 H new ATOM 360 N SER A 25 4.446 -2.159 -11.176 1.00 0.00 N ATOM 361 CA SER A 25 4.244 -2.619 -12.544 1.00 0.00 C ATOM 362 C SER A 25 2.943 -2.072 -13.121 1.00 0.00 C ATOM 363 O SER A 25 2.799 -1.934 -14.336 1.00 0.00 O ATOM 364 CB SER A 25 4.232 -4.148 -12.592 1.00 0.00 C ATOM 365 OG SER A 25 2.924 -4.655 -12.397 1.00 0.00 O ATOM 0 H SER A 25 4.660 -2.901 -10.509 1.00 0.00 H new ATOM 0 HA SER A 25 5.071 -2.247 -13.149 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.617 -4.488 -13.553 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.897 -4.544 -11.824 1.00 0.00 H new ATOM 0 HG SER A 25 2.666 -4.542 -11.458 1.00 0.00 H new ATOM 371 N GLN A 26 1.995 -1.766 -12.242 1.00 0.00 N ATOM 372 CA GLN A 26 0.702 -1.237 -12.665 1.00 0.00 C ATOM 373 C GLN A 26 0.642 0.273 -12.468 1.00 0.00 C ATOM 374 O GLN A 26 0.199 1.009 -13.351 1.00 0.00 O ATOM 375 CB GLN A 26 -0.434 -1.907 -11.884 1.00 0.00 C ATOM 376 CG GLN A 26 -0.134 -3.338 -11.464 1.00 0.00 C ATOM 377 CD GLN A 26 -0.197 -4.312 -12.623 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.734 -3.997 -13.685 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.352 -5.505 -12.424 1.00 0.00 N ATOM 0 H GLN A 26 2.097 -1.875 -11.233 1.00 0.00 H new ATOM 0 HA GLN A 26 0.582 -1.456 -13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.648 -1.315 -10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.336 -1.900 -12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.857 -3.380 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.846 -3.645 -10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.787 -5.723 -11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.339 -6.203 -13.168 1.00 0.00 H new ATOM 388 N GLY A 27 1.088 0.727 -11.302 1.00 0.00 N ATOM 389 CA GLY A 27 1.071 2.146 -11.001 1.00 0.00 C ATOM 390 C GLY A 27 0.857 2.415 -9.527 1.00 0.00 C ATOM 391 O GLY A 27 0.058 3.274 -9.154 1.00 0.00 O ATOM 0 H GLY A 27 1.462 0.136 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.013 2.594 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.280 2.628 -11.575 1.00 0.00 H new ATOM 395 N LEU A 28 1.579 1.682 -8.687 1.00 0.00 N ATOM 396 CA LEU A 28 1.461 1.841 -7.246 1.00 0.00 C ATOM 397 C LEU A 28 2.592 2.705 -6.699 1.00 0.00 C ATOM 398 O LEU A 28 3.193 2.394 -5.671 1.00 0.00 O ATOM 399 CB LEU A 28 1.451 0.474 -6.559 1.00 0.00 C ATOM 400 CG LEU A 28 0.133 0.111 -5.871 1.00 0.00 C ATOM 401 CD1 LEU A 28 -0.012 0.870 -4.562 1.00 0.00 C ATOM 402 CD2 LEU A 28 -1.044 0.404 -6.790 1.00 0.00 C ATOM 0 H LEU A 28 2.251 0.973 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 28 0.518 2.345 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.680 -0.291 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.250 0.450 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 28 0.142 -0.956 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.955 0.599 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.815 0.614 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.000 1.942 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.974 0.140 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.055 1.465 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.947 -0.183 -7.703 1.00 0.00 H new ATOM 414 N GLN A 29 2.867 3.801 -7.397 1.00 0.00 N ATOM 415 CA GLN A 29 3.888 4.751 -6.975 1.00 0.00 C ATOM 416 C GLN A 29 3.241 6.038 -6.462 1.00 0.00 C ATOM 417 O GLN A 29 3.868 6.817 -5.745 1.00 0.00 O ATOM 418 CB GLN A 29 4.834 5.065 -8.135 1.00 0.00 C ATOM 419 CG GLN A 29 4.138 5.141 -9.484 1.00 0.00 C ATOM 420 CD GLN A 29 5.085 5.506 -10.610 1.00 0.00 C ATOM 421 OE1 GLN A 29 5.008 6.599 -11.171 1.00 0.00 O ATOM 422 NE2 GLN A 29 5.986 4.591 -10.945 1.00 0.00 N ATOM 0 H GLN A 29 2.393 4.054 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 29 4.463 4.302 -6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.333 6.014 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.609 4.300 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.673 4.180 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.337 5.879 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.014 3.698 -10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.651 4.781 -11.695 1.00 0.00 H new ATOM 431 N SER A 30 1.981 6.251 -6.841 1.00 0.00 N ATOM 432 CA SER A 30 1.225 7.417 -6.402 1.00 0.00 C ATOM 433 C SER A 30 -0.027 6.967 -5.673 1.00 0.00 C ATOM 434 O SER A 30 -0.984 6.523 -6.298 1.00 0.00 O ATOM 435 CB SER A 30 0.852 8.295 -7.598 1.00 0.00 C ATOM 436 OG SER A 30 0.835 7.544 -8.800 1.00 0.00 O ATOM 0 H SER A 30 1.462 5.624 -7.456 1.00 0.00 H new ATOM 0 HA SER A 30 1.844 8.005 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.128 8.743 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.566 9.114 -7.688 1.00 0.00 H new ATOM 0 HG SER A 30 0.592 8.129 -9.548 1.00 0.00 H new ATOM 442 N ILE A 31 0.000 7.052 -4.345 1.00 0.00 N ATOM 443 CA ILE A 31 -1.116 6.594 -3.520 1.00 0.00 C ATOM 444 C ILE A 31 -2.473 6.967 -4.127 1.00 0.00 C ATOM 445 O ILE A 31 -3.458 6.249 -3.961 1.00 0.00 O ATOM 446 CB ILE A 31 -1.018 7.132 -2.076 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.878 6.278 -1.144 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.436 8.595 -2.003 1.00 0.00 C ATOM 449 CD1 ILE A 31 -1.084 5.576 -0.065 1.00 0.00 C ATOM 0 H ILE A 31 0.784 7.434 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.046 5.507 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 31 0.022 7.070 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.631 6.911 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.411 5.533 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.356 8.945 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.784 9.192 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.467 8.696 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.758 4.989 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.348 4.916 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.573 6.316 0.550 1.00 0.00 H new ATOM 461 N TYR A 32 -2.514 8.095 -4.829 1.00 0.00 N ATOM 462 CA TYR A 32 -3.744 8.544 -5.469 1.00 0.00 C ATOM 463 C TYR A 32 -4.292 7.471 -6.408 1.00 0.00 C ATOM 464 O TYR A 32 -5.477 7.473 -6.742 1.00 0.00 O ATOM 465 CB TYR A 32 -3.498 9.838 -6.248 1.00 0.00 C ATOM 466 CG TYR A 32 -4.763 10.474 -6.776 1.00 0.00 C ATOM 467 CD1 TYR A 32 -5.765 10.894 -5.911 1.00 0.00 C ATOM 468 CD2 TYR A 32 -4.957 10.648 -8.140 1.00 0.00 C ATOM 469 CE1 TYR A 32 -6.924 11.473 -6.391 1.00 0.00 C ATOM 470 CE2 TYR A 32 -6.113 11.225 -8.628 1.00 0.00 C ATOM 471 CZ TYR A 32 -7.093 11.637 -7.751 1.00 0.00 C ATOM 472 OH TYR A 32 -8.246 12.213 -8.233 1.00 0.00 O ATOM 0 H TYR A 32 -1.714 8.712 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.481 8.732 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.985 10.550 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.830 9.628 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.636 10.766 -4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.191 10.327 -8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.694 11.796 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.248 11.353 -9.692 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.206 12.256 -9.211 1.00 0.00 H new ATOM 482 N HIS A 33 -3.421 6.560 -6.835 1.00 0.00 N ATOM 483 CA HIS A 33 -3.814 5.483 -7.736 1.00 0.00 C ATOM 484 C HIS A 33 -4.383 4.302 -6.958 1.00 0.00 C ATOM 485 O HIS A 33 -5.152 3.506 -7.498 1.00 0.00 O ATOM 486 CB HIS A 33 -2.616 5.028 -8.573 1.00 0.00 C ATOM 487 CG HIS A 33 -2.969 4.691 -9.989 1.00 0.00 C ATOM 488 ND1 HIS A 33 -2.692 3.467 -10.562 1.00 0.00 N ATOM 489 CD2 HIS A 33 -3.579 5.425 -10.949 1.00 0.00 C ATOM 490 CE1 HIS A 33 -3.117 3.462 -11.814 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.658 4.638 -12.072 1.00 0.00 N ATOM 0 H HIS A 33 -2.436 6.548 -6.570 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.590 5.864 -8.400 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.863 5.816 -8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.165 4.155 -8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.937 6.439 -10.850 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.035 2.637 -12.507 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.069 4.918 -12.963 1.00 0.00 H new ATOM 500 N LEU A 34 -3.991 4.182 -5.692 1.00 0.00 N ATOM 501 CA LEU A 34 -4.492 3.109 -4.842 1.00 0.00 C ATOM 502 C LEU A 34 -5.552 3.628 -3.873 1.00 0.00 C ATOM 503 O LEU A 34 -5.882 2.976 -2.883 1.00 0.00 O ATOM 504 CB LEU A 34 -3.350 2.464 -4.063 1.00 0.00 C ATOM 505 CG LEU A 34 -2.181 3.393 -3.739 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.328 2.808 -2.627 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.337 3.637 -4.979 1.00 0.00 C ATOM 0 H LEU A 34 -3.331 4.812 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.949 2.359 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.747 2.066 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.973 1.617 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.584 4.347 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.500 3.483 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.936 2.679 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.935 1.841 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.509 4.301 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.945 2.688 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.952 4.098 -5.753 1.00 0.00 H new ATOM 519 N GLN A 35 -6.076 4.807 -4.173 1.00 0.00 N ATOM 520 CA GLN A 35 -7.090 5.447 -3.349 1.00 0.00 C ATOM 521 C GLN A 35 -8.336 4.594 -3.225 1.00 0.00 C ATOM 522 O GLN A 35 -8.988 4.559 -2.181 1.00 0.00 O ATOM 523 CB GLN A 35 -7.473 6.776 -3.988 1.00 0.00 C ATOM 524 CG GLN A 35 -6.640 7.940 -3.512 1.00 0.00 C ATOM 525 CD GLN A 35 -7.210 8.599 -2.272 1.00 0.00 C ATOM 526 OE1 GLN A 35 -8.365 9.027 -2.258 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.404 8.677 -1.220 1.00 0.00 N ATOM 0 H GLN A 35 -5.810 5.348 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.674 5.591 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.376 6.690 -5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.523 6.981 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.627 7.595 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.566 8.679 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.454 8.309 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.734 9.105 -0.355 1.00 0.00 H new ATOM 536 N ASN A 36 -8.697 3.978 -4.329 1.00 0.00 N ATOM 537 CA ASN A 36 -9.914 3.178 -4.409 1.00 0.00 C ATOM 538 C ASN A 36 -9.605 1.691 -4.460 1.00 0.00 C ATOM 539 O ASN A 36 -10.457 0.856 -4.153 1.00 0.00 O ATOM 540 CB ASN A 36 -10.714 3.593 -5.642 1.00 0.00 C ATOM 541 CG ASN A 36 -9.836 3.889 -6.834 1.00 0.00 C ATOM 542 OD1 ASN A 36 -9.261 5.082 -6.833 1.00 0.00 O flip ATOM 543 ND2 ASN A 36 -9.671 3.063 -7.733 1.00 0.00 N flip ATOM 0 H ASN A 36 -8.162 4.013 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.502 3.359 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.414 2.798 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.307 4.476 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.138 2.157 -7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.068 3.285 -8.525 1.00 0.00 H new ATOM 550 N LEU A 37 -8.378 1.367 -4.836 1.00 0.00 N ATOM 551 CA LEU A 37 -7.942 -0.024 -4.927 1.00 0.00 C ATOM 552 C LEU A 37 -8.363 -0.821 -3.693 1.00 0.00 C ATOM 553 O LEU A 37 -8.489 -0.271 -2.599 1.00 0.00 O ATOM 554 CB LEU A 37 -6.424 -0.081 -5.088 1.00 0.00 C ATOM 555 CG LEU A 37 -5.934 -0.671 -6.412 1.00 0.00 C ATOM 556 CD1 LEU A 37 -4.712 0.082 -6.912 1.00 0.00 C ATOM 557 CD2 LEU A 37 -5.624 -2.151 -6.252 1.00 0.00 C ATOM 0 H LEU A 37 -7.661 2.049 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.420 -0.472 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.025 0.929 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.009 -0.670 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.727 -0.565 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.378 -0.352 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.968 1.130 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.912 0.008 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.277 -2.555 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.848 -2.281 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.525 -2.680 -5.940 1.00 0.00 H new ATOM 569 N THR A 38 -8.583 -2.119 -3.880 1.00 0.00 N ATOM 570 CA THR A 38 -8.989 -2.992 -2.783 1.00 0.00 C ATOM 571 C THR A 38 -8.298 -4.344 -2.871 1.00 0.00 C ATOM 572 O THR A 38 -7.580 -4.628 -3.829 1.00 0.00 O ATOM 573 CB THR A 38 -10.504 -3.205 -2.805 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.109 -2.411 -3.811 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.173 -2.874 -1.490 1.00 0.00 C ATOM 0 H THR A 38 -8.487 -2.589 -4.780 1.00 0.00 H new ATOM 0 HA THR A 38 -8.698 -2.506 -1.852 1.00 0.00 H new ATOM 0 HB THR A 38 -10.644 -4.267 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.897 -2.875 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.246 -3.047 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.764 -3.508 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.992 -1.828 -1.243 1.00 0.00 H new ATOM 583 N ILE A 39 -8.561 -5.192 -1.884 1.00 0.00 N ATOM 584 CA ILE A 39 -8.032 -6.545 -1.890 1.00 0.00 C ATOM 585 C ILE A 39 -8.515 -7.269 -3.134 1.00 0.00 C ATOM 586 O ILE A 39 -7.800 -8.082 -3.719 1.00 0.00 O ATOM 587 CB ILE A 39 -8.476 -7.330 -0.645 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.799 -8.702 -0.611 1.00 0.00 C ATOM 589 CG2 ILE A 39 -9.988 -7.480 -0.621 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.296 -8.632 -0.455 1.00 0.00 C ATOM 0 H ILE A 39 -9.136 -4.965 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.944 -6.482 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.173 -6.773 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.215 -9.283 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.036 -9.238 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.284 -8.038 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.451 -6.494 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.315 -8.016 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.884 -9.641 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.869 -8.079 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.050 -8.125 0.478 1.00 0.00 H new ATOM 602 N GLU A 40 -9.734 -6.937 -3.544 1.00 0.00 N ATOM 603 CA GLU A 40 -10.323 -7.526 -4.736 1.00 0.00 C ATOM 604 C GLU A 40 -9.453 -7.233 -5.954 1.00 0.00 C ATOM 605 O GLU A 40 -9.274 -8.085 -6.824 1.00 0.00 O ATOM 606 CB GLU A 40 -11.743 -7.000 -4.962 1.00 0.00 C ATOM 607 CG GLU A 40 -11.896 -5.508 -4.720 1.00 0.00 C ATOM 608 CD GLU A 40 -12.889 -4.862 -5.666 1.00 0.00 C ATOM 609 OE1 GLU A 40 -13.072 -5.388 -6.784 1.00 0.00 O ATOM 610 OE2 GLU A 40 -13.484 -3.831 -5.289 1.00 0.00 O ATOM 0 H GLU A 40 -10.332 -6.263 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.378 -8.605 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.044 -7.224 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.427 -7.536 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.218 -5.342 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.926 -5.024 -4.832 1.00 0.00 H new ATOM 617 N ASP A 41 -8.914 -6.019 -6.005 1.00 0.00 N ATOM 618 CA ASP A 41 -8.040 -5.611 -7.097 1.00 0.00 C ATOM 619 C ASP A 41 -6.602 -6.032 -6.817 1.00 0.00 C ATOM 620 O ASP A 41 -5.848 -6.359 -7.734 1.00 0.00 O ATOM 621 CB ASP A 41 -8.112 -4.097 -7.301 1.00 0.00 C ATOM 622 CG ASP A 41 -8.966 -3.715 -8.495 1.00 0.00 C ATOM 623 OD1 ASP A 41 -8.655 -4.170 -9.616 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.943 -2.961 -8.309 1.00 0.00 O ATOM 0 H ASP A 41 -9.069 -5.299 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.378 -6.105 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.518 -3.631 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.105 -3.703 -7.437 1.00 0.00 H new ATOM 629 N LEU A 42 -6.228 -6.017 -5.540 1.00 0.00 N ATOM 630 CA LEU A 42 -4.883 -6.403 -5.131 1.00 0.00 C ATOM 631 C LEU A 42 -4.535 -7.782 -5.677 1.00 0.00 C ATOM 632 O LEU A 42 -3.484 -7.973 -6.288 1.00 0.00 O ATOM 633 CB LEU A 42 -4.767 -6.400 -3.599 1.00 0.00 C ATOM 634 CG LEU A 42 -4.889 -5.034 -2.888 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.781 -4.882 -1.860 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.860 -3.863 -3.866 1.00 0.00 C ATOM 0 H LEU A 42 -6.839 -5.741 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.179 -5.677 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.538 -7.059 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.805 -6.836 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.859 -5.014 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.875 -3.916 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.859 -5.679 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.813 -4.942 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.949 -2.927 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.919 -3.872 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.691 -3.953 -4.566 1.00 0.00 H new ATOM 648 N GLY A 43 -5.431 -8.739 -5.459 1.00 0.00 N ATOM 649 CA GLY A 43 -5.213 -10.084 -5.954 1.00 0.00 C ATOM 650 C GLY A 43 -5.205 -10.138 -7.469 1.00 0.00 C ATOM 651 O GLY A 43 -4.648 -11.061 -8.061 1.00 0.00 O ATOM 0 H GLY A 43 -6.304 -8.606 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.264 -10.461 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.994 -10.742 -5.572 1.00 0.00 H new ATOM 655 N ALA A 44 -5.823 -9.141 -8.097 1.00 0.00 N ATOM 656 CA ALA A 44 -5.875 -9.070 -9.550 1.00 0.00 C ATOM 657 C ALA A 44 -4.475 -8.931 -10.134 1.00 0.00 C ATOM 658 O ALA A 44 -4.218 -9.343 -11.265 1.00 0.00 O ATOM 659 CB ALA A 44 -6.756 -7.911 -9.995 1.00 0.00 C ATOM 0 H ALA A 44 -6.294 -8.372 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.309 -9.998 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.784 -7.872 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.766 -8.053 -9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.350 -6.976 -9.609 1.00 0.00 H new ATOM 665 N LEU A 45 -3.571 -8.351 -9.350 1.00 0.00 N ATOM 666 CA LEU A 45 -2.194 -8.162 -9.780 1.00 0.00 C ATOM 667 C LEU A 45 -1.499 -9.500 -10.039 1.00 0.00 C ATOM 668 O LEU A 45 -0.443 -9.545 -10.670 1.00 0.00 O ATOM 669 CB LEU A 45 -1.427 -7.374 -8.718 1.00 0.00 C ATOM 670 CG LEU A 45 -1.783 -5.890 -8.634 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.282 -5.695 -8.474 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.035 -5.233 -7.486 1.00 0.00 C ATOM 0 H LEU A 45 -3.770 -8.004 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.205 -7.604 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.609 -7.832 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.360 -7.466 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.481 -5.415 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.506 -4.630 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.799 -6.129 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.617 -6.186 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.298 -4.176 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.308 -5.718 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.038 -5.333 -7.647 1.00 0.00 H new ATOM 684 N LYS A 46 -2.101 -10.588 -9.562 1.00 0.00 N ATOM 685 CA LYS A 46 -1.535 -11.925 -9.746 1.00 0.00 C ATOM 686 C LYS A 46 -0.306 -12.134 -8.867 1.00 0.00 C ATOM 687 O LYS A 46 0.479 -13.055 -9.090 1.00 0.00 O ATOM 688 CB LYS A 46 -1.166 -12.159 -11.214 1.00 0.00 C ATOM 689 CG LYS A 46 -2.039 -11.389 -12.187 1.00 0.00 C ATOM 690 CD LYS A 46 -2.469 -12.252 -13.363 1.00 0.00 C ATOM 691 CE LYS A 46 -3.948 -12.079 -13.666 1.00 0.00 C ATOM 692 NZ LYS A 46 -4.766 -13.176 -13.080 1.00 0.00 N ATOM 0 H LYS A 46 -2.980 -10.571 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.297 -12.646 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.125 -11.875 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.242 -13.224 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.922 -11.017 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.495 -10.519 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.882 -11.989 -14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.261 -13.299 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.290 -11.121 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.097 -12.052 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.769 -13.022 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.457 -14.088 -13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.644 -13.186 -12.047 1.00 0.00 H new ATOM 706 N ILE A 47 -0.150 -11.276 -7.869 1.00 0.00 N ATOM 707 CA ILE A 47 0.976 -11.370 -6.947 1.00 0.00 C ATOM 708 C ILE A 47 0.671 -12.344 -5.811 1.00 0.00 C ATOM 709 O ILE A 47 -0.439 -12.360 -5.279 1.00 0.00 O ATOM 710 CB ILE A 47 1.331 -9.995 -6.350 1.00 0.00 C ATOM 711 CG1 ILE A 47 1.245 -8.909 -7.423 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.720 -10.025 -5.735 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.386 -7.506 -6.876 1.00 0.00 C ATOM 0 H ILE A 47 -0.789 -10.505 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 47 1.827 -11.737 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 47 0.611 -9.763 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.024 -9.081 -8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.289 -8.995 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.955 -9.046 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.751 -10.773 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.452 -10.278 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.315 -6.788 -7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.591 -7.315 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.354 -7.402 -6.385 1.00 0.00 H new ATOM 725 N PRO A 48 1.655 -13.176 -5.421 1.00 0.00 N ATOM 726 CA PRO A 48 1.480 -14.149 -4.341 1.00 0.00 C ATOM 727 C PRO A 48 0.781 -13.545 -3.128 1.00 0.00 C ATOM 728 O PRO A 48 1.156 -12.473 -2.653 1.00 0.00 O ATOM 729 CB PRO A 48 2.914 -14.545 -3.994 1.00 0.00 C ATOM 730 CG PRO A 48 3.667 -14.374 -5.269 1.00 0.00 C ATOM 731 CD PRO A 48 3.013 -13.227 -5.996 1.00 0.00 C ATOM 0 HA PRO A 48 0.852 -14.988 -4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.321 -13.912 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.966 -15.573 -3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.718 -14.162 -5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.631 -15.285 -5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.551 -12.293 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.986 -13.399 -7.072 1.00 0.00 H new ATOM 739 N GLU A 49 -0.244 -14.235 -2.638 1.00 0.00 N ATOM 740 CA GLU A 49 -1.004 -13.762 -1.487 1.00 0.00 C ATOM 741 C GLU A 49 -0.159 -13.798 -0.219 1.00 0.00 C ATOM 742 O GLU A 49 -0.458 -14.541 0.716 1.00 0.00 O ATOM 743 CB GLU A 49 -2.261 -14.612 -1.299 1.00 0.00 C ATOM 744 CG GLU A 49 -3.189 -14.088 -0.215 1.00 0.00 C ATOM 745 CD GLU A 49 -4.638 -14.464 -0.455 1.00 0.00 C ATOM 746 OE1 GLU A 49 -5.281 -13.828 -1.316 1.00 0.00 O ATOM 747 OE2 GLU A 49 -5.129 -15.394 0.218 1.00 0.00 O ATOM 0 H GLU A 49 -0.567 -15.124 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.294 -12.728 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.805 -14.656 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.967 -15.632 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.871 -14.480 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.103 -13.003 -0.162 1.00 0.00 H new ATOM 754 N GLN A 50 0.894 -12.990 -0.190 1.00 0.00 N ATOM 755 CA GLN A 50 1.772 -12.921 0.972 1.00 0.00 C ATOM 756 C GLN A 50 1.219 -11.947 2.007 1.00 0.00 C ATOM 757 O GLN A 50 1.063 -12.292 3.179 1.00 0.00 O ATOM 758 CB GLN A 50 3.181 -12.499 0.551 1.00 0.00 C ATOM 759 CG GLN A 50 3.717 -13.273 -0.643 1.00 0.00 C ATOM 760 CD GLN A 50 4.230 -14.647 -0.268 1.00 0.00 C ATOM 761 OE1 GLN A 50 3.695 -15.302 0.626 1.00 0.00 O ATOM 762 NE2 GLN A 50 5.277 -15.090 -0.953 1.00 0.00 N ATOM 0 H GLN A 50 1.161 -12.373 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 50 1.822 -13.913 1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.176 -11.436 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.859 -12.633 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.928 -13.375 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.522 -12.704 -1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.688 -14.512 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.670 -16.008 -0.746 1.00 0.00 H new ATOM 771 N TYR A 51 0.918 -10.731 1.564 1.00 0.00 N ATOM 772 CA TYR A 51 0.371 -9.705 2.447 1.00 0.00 C ATOM 773 C TYR A 51 -0.716 -8.904 1.738 1.00 0.00 C ATOM 774 O TYR A 51 -0.973 -7.749 2.081 1.00 0.00 O ATOM 775 CB TYR A 51 1.480 -8.764 2.926 1.00 0.00 C ATOM 776 CG TYR A 51 2.821 -9.441 3.103 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.131 -10.121 4.274 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.778 -9.400 2.095 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.356 -10.740 4.437 1.00 0.00 C ATOM 780 CE2 TYR A 51 5.004 -10.017 2.251 1.00 0.00 C ATOM 781 CZ TYR A 51 5.288 -10.686 3.423 1.00 0.00 C ATOM 782 OH TYR A 51 6.509 -11.301 3.581 1.00 0.00 O ATOM 0 H TYR A 51 1.044 -10.431 0.597 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.070 -10.204 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.587 -7.949 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.181 -8.318 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.403 -10.167 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.559 -8.877 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.582 -11.263 5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.737 -9.976 1.459 1.00 0.00 H new ATOM 0 HH TYR A 51 7.049 -11.169 2.774 1.00 0.00 H new ATOM 792 N ARG A 52 -1.350 -9.523 0.747 1.00 0.00 N ATOM 793 CA ARG A 52 -2.405 -8.874 -0.014 1.00 0.00 C ATOM 794 C ARG A 52 -3.432 -8.226 0.909 1.00 0.00 C ATOM 795 O ARG A 52 -3.804 -7.067 0.722 1.00 0.00 O ATOM 796 CB ARG A 52 -3.087 -9.902 -0.915 1.00 0.00 C ATOM 797 CG ARG A 52 -3.263 -9.446 -2.356 1.00 0.00 C ATOM 798 CD ARG A 52 -1.988 -8.840 -2.925 1.00 0.00 C ATOM 799 NE ARG A 52 -0.789 -9.546 -2.481 1.00 0.00 N ATOM 800 CZ ARG A 52 0.444 -9.180 -2.814 1.00 0.00 C ATOM 801 NH1 ARG A 52 0.637 -8.123 -3.589 1.00 0.00 N ATOM 802 NH2 ARG A 52 1.485 -9.872 -2.370 1.00 0.00 N ATOM 0 H ARG A 52 -1.148 -10.479 0.453 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.959 -8.088 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.503 -10.822 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.066 -10.141 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.566 -10.294 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.067 -8.712 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.035 -8.858 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.922 -7.794 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.905 -10.364 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.162 -7.589 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.584 -7.843 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.339 -10.686 -1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.431 -9.590 -2.626 1.00 0.00 H new ATOM 816 N MET A 53 -3.886 -8.980 1.904 1.00 0.00 N ATOM 817 CA MET A 53 -4.870 -8.475 2.855 1.00 0.00 C ATOM 818 C MET A 53 -4.362 -7.215 3.547 1.00 0.00 C ATOM 819 O MET A 53 -5.007 -6.166 3.499 1.00 0.00 O ATOM 820 CB MET A 53 -5.201 -9.546 3.897 1.00 0.00 C ATOM 821 CG MET A 53 -5.566 -10.892 3.293 1.00 0.00 C ATOM 822 SD MET A 53 -6.301 -12.016 4.494 1.00 0.00 S ATOM 823 CE MET A 53 -4.842 -12.847 5.118 1.00 0.00 C ATOM 0 H MET A 53 -3.589 -9.941 2.073 1.00 0.00 H new ATOM 0 HA MET A 53 -5.776 -8.224 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.344 -9.675 4.558 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.030 -9.197 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.264 -10.739 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.672 -11.351 2.872 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.134 -13.577 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.335 -13.356 4.298 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.168 -12.115 5.563 1.00 0.00 H new ATOM 833 N THR A 54 -3.201 -7.321 4.187 1.00 0.00 N ATOM 834 CA THR A 54 -2.604 -6.185 4.883 1.00 0.00 C ATOM 835 C THR A 54 -2.567 -4.956 3.981 1.00 0.00 C ATOM 836 O THR A 54 -2.895 -3.849 4.408 1.00 0.00 O ATOM 837 CB THR A 54 -1.188 -6.530 5.350 1.00 0.00 C ATOM 838 OG1 THR A 54 -1.219 -7.558 6.324 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.448 -5.351 5.948 1.00 0.00 C ATOM 0 H THR A 54 -2.655 -8.181 4.238 1.00 0.00 H new ATOM 0 HA THR A 54 -3.220 -5.960 5.753 1.00 0.00 H new ATOM 0 HB THR A 54 -0.659 -6.851 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.305 -7.766 6.609 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.548 -5.666 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.363 -4.559 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.996 -4.978 6.813 1.00 0.00 H new ATOM 847 N ILE A 55 -2.167 -5.160 2.732 1.00 0.00 N ATOM 848 CA ILE A 55 -2.090 -4.072 1.767 1.00 0.00 C ATOM 849 C ILE A 55 -3.442 -3.380 1.618 1.00 0.00 C ATOM 850 O ILE A 55 -3.554 -2.168 1.802 1.00 0.00 O ATOM 851 CB ILE A 55 -1.617 -4.576 0.390 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.247 -5.247 0.514 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.561 -3.431 -0.610 1.00 0.00 C ATOM 854 CD1 ILE A 55 -0.032 -6.373 -0.475 1.00 0.00 C ATOM 0 H ILE A 55 -1.891 -6.070 2.364 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.361 -3.356 2.146 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.334 -5.312 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.530 -4.496 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.133 -5.636 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.225 -3.808 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.553 -2.992 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.865 -2.671 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.960 -6.801 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.787 -7.144 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.114 -5.986 -1.491 1.00 0.00 H new ATOM 866 N TRP A 56 -4.470 -4.159 1.296 1.00 0.00 N ATOM 867 CA TRP A 56 -5.816 -3.624 1.143 1.00 0.00 C ATOM 868 C TRP A 56 -6.216 -2.819 2.380 1.00 0.00 C ATOM 869 O TRP A 56 -6.663 -1.677 2.271 1.00 0.00 O ATOM 870 CB TRP A 56 -6.799 -4.777 0.890 1.00 0.00 C ATOM 871 CG TRP A 56 -8.238 -4.436 1.131 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.894 -3.304 0.739 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.198 -5.237 1.822 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.205 -3.359 1.146 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.415 -4.534 1.809 1.00 0.00 C ATOM 876 CE3 TRP A 56 -9.147 -6.484 2.448 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.569 -5.029 2.400 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.296 -6.981 3.036 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.495 -6.253 3.008 1.00 0.00 C ATOM 0 H TRP A 56 -4.395 -5.164 1.136 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.842 -2.949 0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.687 -5.113 -0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.526 -5.616 1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.448 -2.487 0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.908 -2.639 0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.227 -7.050 2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.492 -4.469 2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.270 -7.944 3.524 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.377 -6.666 3.475 1.00 0.00 H new ATOM 890 N ARG A 57 -6.040 -3.418 3.554 1.00 0.00 N ATOM 891 CA ARG A 57 -6.379 -2.754 4.811 1.00 0.00 C ATOM 892 C ARG A 57 -5.784 -1.352 4.864 1.00 0.00 C ATOM 893 O ARG A 57 -6.490 -0.374 5.108 1.00 0.00 O ATOM 894 CB ARG A 57 -5.879 -3.579 6.000 1.00 0.00 C ATOM 895 CG ARG A 57 -6.215 -5.059 5.902 1.00 0.00 C ATOM 896 CD ARG A 57 -6.986 -5.539 7.121 1.00 0.00 C ATOM 897 NE ARG A 57 -7.700 -6.786 6.862 1.00 0.00 N ATOM 898 CZ ARG A 57 -8.865 -6.848 6.223 1.00 0.00 C ATOM 899 NH1 ARG A 57 -9.440 -5.739 5.781 1.00 0.00 N ATOM 900 NH2 ARG A 57 -9.453 -8.020 6.026 1.00 0.00 N ATOM 0 H ARG A 57 -5.665 -4.360 3.662 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.464 -2.670 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.798 -3.466 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.311 -3.177 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.804 -5.240 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.296 -5.636 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.296 -5.683 7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.697 -4.771 7.426 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.283 -7.657 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.989 -4.836 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.333 -5.788 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.012 -8.875 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.346 -8.066 5.536 1.00 0.00 H new ATOM 914 N GLY A 58 -4.481 -1.264 4.627 1.00 0.00 N ATOM 915 CA GLY A 58 -3.811 0.022 4.634 1.00 0.00 C ATOM 916 C GLY A 58 -4.445 0.999 3.666 1.00 0.00 C ATOM 917 O GLY A 58 -4.594 2.181 3.971 1.00 0.00 O ATOM 0 H GLY A 58 -3.876 -2.061 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.839 0.440 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.761 -0.115 4.375 1.00 0.00 H new ATOM 921 N LEU A 59 -4.829 0.496 2.496 1.00 0.00 N ATOM 922 CA LEU A 59 -5.468 1.325 1.482 1.00 0.00 C ATOM 923 C LEU A 59 -6.831 1.802 1.965 1.00 0.00 C ATOM 924 O LEU A 59 -7.299 2.873 1.579 1.00 0.00 O ATOM 925 CB LEU A 59 -5.617 0.545 0.174 1.00 0.00 C ATOM 926 CG LEU A 59 -4.674 0.981 -0.949 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.226 0.878 -0.498 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.907 0.143 -2.197 1.00 0.00 C ATOM 0 H LEU A 59 -4.708 -0.481 2.228 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.838 2.196 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.450 -0.513 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.645 0.644 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.885 2.023 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.569 1.192 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.068 1.522 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.002 -0.154 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.227 0.467 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.724 -0.907 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.937 0.268 -2.532 1.00 0.00 H new ATOM 940 N GLN A 60 -7.462 1.001 2.817 1.00 0.00 N ATOM 941 CA GLN A 60 -8.762 1.353 3.374 1.00 0.00 C ATOM 942 C GLN A 60 -8.610 2.439 4.431 1.00 0.00 C ATOM 943 O GLN A 60 -9.521 3.236 4.657 1.00 0.00 O ATOM 944 CB GLN A 60 -9.432 0.121 3.984 1.00 0.00 C ATOM 945 CG GLN A 60 -10.040 -0.814 2.952 1.00 0.00 C ATOM 946 CD GLN A 60 -10.846 -1.933 3.584 1.00 0.00 C ATOM 947 OE1 GLN A 60 -10.153 -2.953 4.075 1.00 0.00 O flip ATOM 948 NE2 GLN A 60 -12.074 -1.878 3.634 1.00 0.00 N flip ATOM 0 H GLN A 60 -7.094 0.105 3.136 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.390 1.732 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.697 -0.429 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.212 0.445 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.682 -0.242 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.245 -1.243 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.565 -1.074 3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.601 -2.637 4.066 1.00 0.00 H new ATOM 957 N ASP A 61 -7.445 2.467 5.072 1.00 0.00 N ATOM 958 CA ASP A 61 -7.159 3.460 6.097 1.00 0.00 C ATOM 959 C ASP A 61 -7.070 4.856 5.488 1.00 0.00 C ATOM 960 O ASP A 61 -7.320 5.856 6.160 1.00 0.00 O ATOM 961 CB ASP A 61 -5.849 3.120 6.811 1.00 0.00 C ATOM 962 CG ASP A 61 -5.843 3.574 8.258 1.00 0.00 C ATOM 963 OD1 ASP A 61 -6.492 4.597 8.562 1.00 0.00 O ATOM 964 OD2 ASP A 61 -5.189 2.907 9.086 1.00 0.00 O ATOM 0 H ASP A 61 -6.684 1.811 4.898 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.974 3.448 6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.686 2.043 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.019 3.589 6.283 1.00 0.00 H new ATOM 969 N LEU A 62 -6.713 4.911 4.209 1.00 0.00 N ATOM 970 CA LEU A 62 -6.587 6.180 3.502 1.00 0.00 C ATOM 971 C LEU A 62 -7.955 6.715 3.091 1.00 0.00 C ATOM 972 O LEU A 62 -8.260 7.890 3.293 1.00 0.00 O ATOM 973 CB LEU A 62 -5.705 6.006 2.265 1.00 0.00 C ATOM 974 CG LEU A 62 -4.286 5.513 2.549 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.704 4.828 1.322 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.402 6.670 2.987 1.00 0.00 C ATOM 0 H LEU A 62 -6.506 4.090 3.640 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.125 6.900 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.189 5.303 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.644 6.961 1.743 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.327 4.785 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.694 4.484 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.327 3.976 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.674 5.533 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.395 6.303 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.366 7.420 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.811 7.117 3.893 1.00 0.00 H new ATOM 988 N LYS A 63 -8.772 5.845 2.509 1.00 0.00 N ATOM 989 CA LYS A 63 -10.105 6.228 2.059 1.00 0.00 C ATOM 990 C LYS A 63 -10.977 6.663 3.232 1.00 0.00 C ATOM 991 O LYS A 63 -11.702 7.654 3.145 1.00 0.00 O ATOM 992 CB LYS A 63 -10.771 5.065 1.324 1.00 0.00 C ATOM 993 CG LYS A 63 -12.151 5.399 0.780 1.00 0.00 C ATOM 994 CD LYS A 63 -12.141 6.704 0.001 1.00 0.00 C ATOM 995 CE LYS A 63 -11.132 6.666 -1.135 1.00 0.00 C ATOM 996 NZ LYS A 63 -11.690 7.227 -2.396 1.00 0.00 N ATOM 0 H LYS A 63 -8.534 4.868 2.337 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.998 7.072 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.130 4.753 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.853 4.216 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.494 4.591 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.861 5.471 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.136 6.897 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.903 7.529 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.244 7.229 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.816 5.637 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.970 7.182 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.523 6.674 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.968 8.217 -2.242 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.909 5.912 4.325 1.00 0.00 N ATOM 1011 CA GLN A 64 -11.698 6.219 5.513 1.00 0.00 C ATOM 1012 C GLN A 64 -11.264 7.545 6.127 1.00 0.00 C ATOM 1013 O GLN A 64 -12.099 8.348 6.544 1.00 0.00 O ATOM 1014 CB GLN A 64 -11.566 5.096 6.544 1.00 0.00 C ATOM 1015 CG GLN A 64 -10.190 5.015 7.183 1.00 0.00 C ATOM 1016 CD GLN A 64 -10.040 3.811 8.094 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -10.573 2.738 7.816 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -9.315 3.988 9.192 1.00 0.00 N ATOM 0 H GLN A 64 -10.316 5.087 4.414 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.742 6.304 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.312 5.242 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.790 4.144 6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.432 4.971 6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.005 5.924 7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.891 4.896 9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.182 3.216 9.845 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.956 7.770 6.179 1.00 0.00 N ATOM 1028 CA GLY A 65 -9.441 9.001 6.749 1.00 0.00 C ATOM 1029 C GLY A 65 -8.023 9.305 6.305 1.00 0.00 C ATOM 1030 O GLY A 65 -7.345 8.449 5.736 1.00 0.00 O ATOM 0 H GLY A 65 -9.245 7.124 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.091 9.828 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.470 8.933 7.836 1.00 0.00 H new ATOM 1034 N HIS A 66 -7.574 10.528 6.570 1.00 0.00 N ATOM 1035 CA HIS A 66 -6.226 10.947 6.199 1.00 0.00 C ATOM 1036 C HIS A 66 -5.375 11.196 7.439 1.00 0.00 C ATOM 1037 O HIS A 66 -5.900 11.407 8.532 1.00 0.00 O ATOM 1038 CB HIS A 66 -6.283 12.214 5.342 1.00 0.00 C ATOM 1039 CG HIS A 66 -6.051 11.962 3.884 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -6.434 12.846 2.898 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -5.471 10.918 3.247 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -6.100 12.357 1.717 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -5.515 11.188 1.902 1.00 0.00 N ATOM 0 H HIS A 66 -8.124 11.247 7.040 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.767 10.145 5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.257 12.686 5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -5.536 12.921 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.052 10.037 3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.276 12.832 0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.154 10.583 1.164 1.00 0.00 H new ATOM 1052 N ASP A 67 -4.058 11.169 7.264 1.00 0.00 N ATOM 1053 CA ASP A 67 -3.136 11.391 8.372 1.00 0.00 C ATOM 1054 C ASP A 67 -1.692 11.178 7.935 1.00 0.00 C ATOM 1055 O ASP A 67 -1.359 10.159 7.330 1.00 0.00 O ATOM 1056 CB ASP A 67 -3.470 10.457 9.535 1.00 0.00 C ATOM 1057 CG ASP A 67 -3.785 9.048 9.073 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -3.395 8.694 7.940 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -4.422 8.298 9.843 1.00 0.00 O ATOM 0 H ASP A 67 -3.605 10.996 6.366 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.247 12.425 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.629 10.430 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.323 10.856 10.084 1.00 0.00 H new ATOM 1064 N TYR A 68 -0.840 12.149 8.245 1.00 0.00 N ATOM 1065 CA TYR A 68 0.571 12.066 7.901 1.00 0.00 C ATOM 1066 C TYR A 68 0.754 11.733 6.421 1.00 0.00 C ATOM 1067 O TYR A 68 1.916 11.624 5.976 1.00 0.00 O ATOM 1068 CB TYR A 68 1.250 11.010 8.777 1.00 0.00 C ATOM 1069 CG TYR A 68 2.654 10.649 8.344 1.00 0.00 C ATOM 1070 CD1 TYR A 68 3.746 11.400 8.762 1.00 0.00 C ATOM 1071 CD2 TYR A 68 2.887 9.554 7.520 1.00 0.00 C ATOM 1072 CE1 TYR A 68 5.030 11.072 8.369 1.00 0.00 C ATOM 1073 CE2 TYR A 68 4.168 9.220 7.123 1.00 0.00 C ATOM 1074 CZ TYR A 68 5.235 9.982 7.550 1.00 0.00 C ATOM 1075 OH TYR A 68 6.512 9.652 7.157 1.00 0.00 O ATOM 1076 OXT TYR A 68 -0.268 11.600 5.715 1.00 0.00 O ATOM 0 H TYR A 68 -1.105 13.004 8.735 1.00 0.00 H new ATOM 0 HA TYR A 68 1.034 13.036 8.083 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.281 11.373 9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.639 10.107 8.777 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.589 12.254 9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.054 8.955 7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.868 11.666 8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.332 8.367 6.482 1.00 0.00 H new ATOM 0 HH TYR A 68 6.483 8.858 6.583 1.00 0.00 H new TER 1086 TYR A 68