USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot 180:sc= 0.993 USER MOD Set 1.2: A 97 THR OG1 : rot -88:sc= 1.22 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.235 X(o=-0.22,f=-0.37) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0.011 USER MOD Set 3.1: A 8 THR OG1 : rot 70:sc= 0.924 USER MOD Set 3.2: A 11 THR OG1 : rot -130:sc= 0.81 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 1.28 (180deg=1.25) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -1.75! USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0356) USER MOD Single : A 17 TYR OH : rot -122:sc= 0.837 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -0.962 (180deg=-1.25!) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.957) USER MOD Single : A 41 GLN : amide:sc= 0.655 K(o=0.65,f=-0.48) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -114:sc= 1.25 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.155 F(o=-0.81,f=-0.16) USER MOD Single : A 52 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= 0.811 (180deg=0.347) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 71 SER OG : rot 85:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -0.493 K(o=-0.49,f=-4.9!) USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -0.0117 (180deg=-0.169) USER MOD Single : A 81 THR OG1 : rot 81:sc= -0.89 USER MOD Single : A 84 SER OG : rot 100:sc= -0.931 USER MOD Single : A 86 TYR OH : rot 120:sc= -0.526! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 102 SER OG : rot -39:sc= -0.511 USER MOD Single : A 104 CYS SG : rot -50:sc= -3.91! USER MOD Single : A 106 LYS NZ :NH3+ 172:sc=-0.00561 (180deg=-0.107) USER MOD Single : A 110 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.77 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.644 -0.806 -7.918 1.00 0.00 N ATOM 2 CA ALA A 1 -3.941 -1.187 -9.136 1.00 0.00 C ATOM 3 C ALA A 1 -2.861 -2.209 -8.808 1.00 0.00 C ATOM 4 O ALA A 1 -1.894 -1.904 -8.120 1.00 0.00 O ATOM 5 CB ALA A 1 -3.335 0.041 -9.807 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.346 -0.071 -8.138 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.126 -1.638 -7.521 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.962 -0.437 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.650 -1.637 -9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.813 -0.261 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.127 0.745 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.630 0.518 -9.125 1.00 0.00 H new ATOM 13 N ASP A 2 -3.021 -3.417 -9.295 1.00 0.00 N ATOM 14 CA ASP A 2 -2.058 -4.504 -9.035 1.00 0.00 C ATOM 15 C ASP A 2 -0.981 -4.544 -10.110 1.00 0.00 C ATOM 16 O ASP A 2 -0.147 -5.437 -10.144 1.00 0.00 O ATOM 17 CB ASP A 2 -2.768 -5.872 -8.934 1.00 0.00 C ATOM 18 CG ASP A 2 -3.456 -6.300 -10.219 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.573 -5.792 -10.510 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.908 -7.148 -10.958 1.00 0.00 O ATOM 0 H ASP A 2 -3.810 -3.690 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.583 -4.298 -8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.037 -6.631 -8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.507 -5.830 -8.134 1.00 0.00 H new ATOM 25 N GLU A 3 -1.001 -3.562 -10.966 1.00 0.00 N ATOM 26 CA GLU A 3 -0.037 -3.435 -12.028 1.00 0.00 C ATOM 27 C GLU A 3 0.967 -2.339 -11.655 1.00 0.00 C ATOM 28 O GLU A 3 0.728 -1.613 -10.671 1.00 0.00 O ATOM 29 CB GLU A 3 -0.765 -3.081 -13.319 1.00 0.00 C ATOM 30 CG GLU A 3 -1.796 -4.104 -13.727 1.00 0.00 C ATOM 31 CD GLU A 3 -2.401 -3.789 -15.049 1.00 0.00 C ATOM 32 OE1 GLU A 3 -1.846 -4.222 -16.074 1.00 0.00 O ATOM 33 OE2 GLU A 3 -3.430 -3.102 -15.098 1.00 0.00 O ATOM 0 H GLU A 3 -1.696 -2.816 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 3 0.500 -4.372 -12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.252 -2.113 -13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.035 -2.973 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.333 -5.090 -13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.580 -4.150 -12.971 1.00 0.00 H new ATOM 40 N PRO A 4 2.117 -2.211 -12.390 1.00 0.00 N ATOM 41 CA PRO A 4 3.111 -1.152 -12.140 1.00 0.00 C ATOM 42 C PRO A 4 2.483 0.237 -12.201 1.00 0.00 C ATOM 43 O PRO A 4 2.194 0.778 -13.281 1.00 0.00 O ATOM 44 CB PRO A 4 4.142 -1.339 -13.258 1.00 0.00 C ATOM 45 CG PRO A 4 4.016 -2.769 -13.634 1.00 0.00 C ATOM 46 CD PRO A 4 2.552 -3.097 -13.494 1.00 0.00 C ATOM 0 HA PRO A 4 3.549 -1.226 -11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.934 -0.685 -14.105 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.149 -1.105 -12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.360 -2.938 -14.655 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.623 -3.400 -12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.003 -2.895 -14.414 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.395 -4.148 -13.254 1.00 0.00 H new ATOM 54 N ALA A 5 2.203 0.775 -11.045 1.00 0.00 N ATOM 55 CA ALA A 5 1.550 2.043 -10.954 1.00 0.00 C ATOM 56 C ALA A 5 2.386 3.053 -10.229 1.00 0.00 C ATOM 57 O ALA A 5 2.929 3.967 -10.852 1.00 0.00 O ATOM 58 CB ALA A 5 0.175 1.901 -10.335 1.00 0.00 C ATOM 0 H ALA A 5 2.422 0.345 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 5 1.419 2.419 -11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.301 2.880 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.434 1.237 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.269 1.483 -9.333 1.00 0.00 H new ATOM 64 N TYR A 6 2.546 2.878 -8.924 1.00 0.00 N ATOM 65 CA TYR A 6 3.267 3.855 -8.173 1.00 0.00 C ATOM 66 C TYR A 6 4.762 3.700 -8.464 1.00 0.00 C ATOM 67 O TYR A 6 5.401 4.586 -9.027 1.00 0.00 O ATOM 68 CB TYR A 6 2.973 3.764 -6.674 1.00 0.00 C ATOM 69 CG TYR A 6 2.841 5.120 -6.007 1.00 0.00 C ATOM 70 CD1 TYR A 6 3.545 6.222 -6.471 1.00 0.00 C ATOM 71 CD2 TYR A 6 1.996 5.301 -4.923 1.00 0.00 C ATOM 72 CE1 TYR A 6 3.414 7.455 -5.877 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.862 6.535 -4.321 1.00 0.00 C ATOM 74 CZ TYR A 6 2.570 7.608 -4.804 1.00 0.00 C ATOM 75 OH TYR A 6 2.441 8.842 -4.201 1.00 0.00 O ATOM 0 H TYR A 6 2.191 2.085 -8.389 1.00 0.00 H new ATOM 0 HA TYR A 6 2.939 4.847 -8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.051 3.202 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.771 3.203 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.209 6.109 -7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.433 4.461 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.972 8.300 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.203 6.657 -3.474 1.00 0.00 H new ATOM 0 HH TYR A 6 1.805 8.778 -3.458 1.00 0.00 H new ATOM 85 N LEU A 7 5.297 2.560 -8.085 1.00 0.00 N ATOM 86 CA LEU A 7 6.666 2.194 -8.391 1.00 0.00 C ATOM 87 C LEU A 7 6.634 1.006 -9.357 1.00 0.00 C ATOM 88 O LEU A 7 5.539 0.573 -9.768 1.00 0.00 O ATOM 89 CB LEU A 7 7.426 1.832 -7.114 1.00 0.00 C ATOM 90 CG LEU A 7 7.348 2.857 -5.980 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.134 2.384 -4.768 1.00 0.00 C ATOM 92 CD2 LEU A 7 7.830 4.225 -6.434 1.00 0.00 C ATOM 0 H LEU A 7 4.791 1.854 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 7 7.184 3.035 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.045 0.880 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.475 1.679 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 7 6.301 2.953 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.064 3.129 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.723 1.438 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.179 2.245 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.761 4.929 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.866 4.154 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.209 4.574 -7.259 1.00 0.00 H new ATOM 104 N THR A 8 7.783 0.450 -9.683 1.00 0.00 N ATOM 105 CA THR A 8 7.864 -0.561 -10.722 1.00 0.00 C ATOM 106 C THR A 8 8.644 -1.801 -10.310 1.00 0.00 C ATOM 107 O THR A 8 9.433 -1.769 -9.373 1.00 0.00 O ATOM 108 CB THR A 8 8.515 0.061 -11.949 1.00 0.00 C ATOM 109 OG1 THR A 8 9.687 0.805 -11.530 1.00 0.00 O ATOM 110 CG2 THR A 8 7.535 0.991 -12.627 1.00 0.00 C ATOM 0 H THR A 8 8.675 0.680 -9.244 1.00 0.00 H new ATOM 0 HA THR A 8 6.847 -0.895 -10.929 1.00 0.00 H new ATOM 0 HB THR A 8 8.806 -0.720 -12.651 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.381 0.181 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.003 1.435 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.652 0.430 -12.931 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.243 1.780 -11.934 1.00 0.00 H new ATOM 118 N VAL A 9 8.413 -2.883 -11.040 1.00 0.00 N ATOM 119 CA VAL A 9 9.098 -4.147 -10.830 1.00 0.00 C ATOM 120 C VAL A 9 10.478 -4.041 -11.462 1.00 0.00 C ATOM 121 O VAL A 9 10.647 -3.342 -12.475 1.00 0.00 O ATOM 122 CB VAL A 9 8.313 -5.331 -11.505 1.00 0.00 C ATOM 123 CG1 VAL A 9 8.998 -6.675 -11.280 1.00 0.00 C ATOM 124 CG2 VAL A 9 6.881 -5.396 -11.006 1.00 0.00 C ATOM 0 H VAL A 9 7.737 -2.906 -11.803 1.00 0.00 H new ATOM 0 HA VAL A 9 9.167 -4.349 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 9 8.307 -5.128 -12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.421 -7.463 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.002 -6.648 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.062 -6.876 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.364 -6.224 -11.491 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.878 -5.548 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.371 -4.462 -11.242 1.00 0.00 H new ATOM 134 N GLY A 10 11.455 -4.666 -10.849 1.00 0.00 N ATOM 135 CA GLY A 10 12.785 -4.664 -11.389 1.00 0.00 C ATOM 136 C GLY A 10 13.642 -3.559 -10.830 1.00 0.00 C ATOM 137 O GLY A 10 14.837 -3.497 -11.102 1.00 0.00 O ATOM 0 H GLY A 10 11.349 -5.182 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.258 -5.624 -11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.732 -4.563 -12.473 1.00 0.00 H new ATOM 141 N THR A 11 13.045 -2.694 -10.056 1.00 0.00 N ATOM 142 CA THR A 11 13.728 -1.603 -9.479 1.00 0.00 C ATOM 143 C THR A 11 14.323 -2.008 -8.120 1.00 0.00 C ATOM 144 O THR A 11 13.662 -2.660 -7.306 1.00 0.00 O ATOM 145 CB THR A 11 12.738 -0.458 -9.325 1.00 0.00 C ATOM 146 OG1 THR A 11 12.079 -0.246 -10.595 1.00 0.00 O ATOM 147 CG2 THR A 11 13.436 0.806 -8.910 1.00 0.00 C ATOM 0 H THR A 11 12.055 -2.741 -9.814 1.00 0.00 H new ATOM 0 HA THR A 11 14.555 -1.289 -10.116 1.00 0.00 H new ATOM 0 HB THR A 11 12.013 -0.716 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.116 0.705 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.705 1.608 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.938 0.648 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.172 1.080 -9.666 1.00 0.00 H new ATOM 155 N ASP A 12 15.565 -1.658 -7.914 1.00 0.00 N ATOM 156 CA ASP A 12 16.280 -1.967 -6.684 1.00 0.00 C ATOM 157 C ASP A 12 16.236 -0.807 -5.772 1.00 0.00 C ATOM 158 O ASP A 12 16.663 0.291 -6.129 1.00 0.00 O ATOM 159 CB ASP A 12 17.745 -2.303 -6.933 1.00 0.00 C ATOM 160 CG ASP A 12 17.965 -3.586 -7.657 1.00 0.00 C ATOM 161 OD1 ASP A 12 18.060 -4.648 -7.013 1.00 0.00 O ATOM 162 OD2 ASP A 12 18.078 -3.568 -8.890 1.00 0.00 O ATOM 0 H ASP A 12 16.123 -1.145 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 12 15.787 -2.836 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.199 -1.494 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.264 -2.346 -5.975 1.00 0.00 H new ATOM 167 N VAL A 13 15.758 -1.026 -4.600 1.00 0.00 N ATOM 168 CA VAL A 13 15.678 0.017 -3.619 1.00 0.00 C ATOM 169 C VAL A 13 16.233 -0.456 -2.317 1.00 0.00 C ATOM 170 O VAL A 13 16.366 -1.660 -2.088 1.00 0.00 O ATOM 171 CB VAL A 13 14.229 0.527 -3.400 1.00 0.00 C ATOM 172 CG1 VAL A 13 13.705 1.175 -4.643 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.300 -0.587 -2.963 1.00 0.00 C ATOM 0 H VAL A 13 15.409 -1.931 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 13 16.267 0.850 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 13 14.264 1.266 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.688 1.526 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.340 2.020 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.705 0.451 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.296 -0.188 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.277 -1.363 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.658 -1.012 -2.025 1.00 0.00 H new ATOM 183 N SER A 14 16.571 0.463 -1.489 1.00 0.00 N ATOM 184 CA SER A 14 17.015 0.151 -0.180 1.00 0.00 C ATOM 185 C SER A 14 15.832 0.225 0.764 1.00 0.00 C ATOM 186 O SER A 14 15.201 1.263 0.922 1.00 0.00 O ATOM 187 CB SER A 14 18.187 1.057 0.208 1.00 0.00 C ATOM 188 OG SER A 14 18.005 2.371 -0.300 1.00 0.00 O ATOM 0 H SER A 14 16.547 1.460 -1.701 1.00 0.00 H new ATOM 0 HA SER A 14 17.403 -0.866 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.280 1.093 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.117 0.640 -0.178 1.00 0.00 H new ATOM 0 HG SER A 14 18.765 2.931 -0.038 1.00 0.00 H new ATOM 194 N ALA A 15 15.517 -0.883 1.340 1.00 0.00 N ATOM 195 CA ALA A 15 14.355 -1.037 2.152 1.00 0.00 C ATOM 196 C ALA A 15 14.761 -1.111 3.593 1.00 0.00 C ATOM 197 O ALA A 15 15.654 -1.874 3.949 1.00 0.00 O ATOM 198 CB ALA A 15 13.669 -2.318 1.748 1.00 0.00 C ATOM 0 H ALA A 15 16.075 -1.733 1.258 1.00 0.00 H new ATOM 0 HA ALA A 15 13.680 -0.191 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.775 -2.459 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.388 -2.264 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.347 -3.158 1.900 1.00 0.00 H new ATOM 204 N LYS A 16 14.160 -0.291 4.408 1.00 0.00 N ATOM 205 CA LYS A 16 14.470 -0.273 5.813 1.00 0.00 C ATOM 206 C LYS A 16 13.684 -1.322 6.595 1.00 0.00 C ATOM 207 O LYS A 16 12.484 -1.527 6.374 1.00 0.00 O ATOM 208 CB LYS A 16 14.296 1.125 6.417 1.00 0.00 C ATOM 209 CG LYS A 16 12.881 1.651 6.424 1.00 0.00 C ATOM 210 CD LYS A 16 12.842 3.065 6.955 1.00 0.00 C ATOM 211 CE LYS A 16 11.428 3.609 7.027 1.00 0.00 C ATOM 212 NZ LYS A 16 10.600 2.935 8.062 1.00 0.00 N ATOM 0 H LYS A 16 13.447 0.380 4.122 1.00 0.00 H new ATOM 0 HA LYS A 16 15.524 -0.538 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.666 1.109 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.923 1.823 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.473 1.625 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.251 1.008 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.291 3.091 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.445 3.709 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.466 4.678 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.950 3.493 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.686 3.424 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.439 1.945 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.095 2.964 8.976 1.00 0.00 H new ATOM 226 N TYR A 17 14.393 -2.003 7.451 1.00 0.00 N ATOM 227 CA TYR A 17 13.878 -2.999 8.357 1.00 0.00 C ATOM 228 C TYR A 17 14.481 -2.673 9.689 1.00 0.00 C ATOM 229 O TYR A 17 15.661 -2.366 9.748 1.00 0.00 O ATOM 230 CB TYR A 17 14.322 -4.411 7.932 1.00 0.00 C ATOM 231 CG TYR A 17 13.921 -4.765 6.533 1.00 0.00 C ATOM 232 CD1 TYR A 17 12.679 -5.302 6.265 1.00 0.00 C ATOM 233 CD2 TYR A 17 14.780 -4.528 5.475 1.00 0.00 C ATOM 234 CE1 TYR A 17 12.296 -5.588 4.979 1.00 0.00 C ATOM 235 CE2 TYR A 17 14.416 -4.813 4.190 1.00 0.00 C ATOM 236 CZ TYR A 17 13.161 -5.345 3.943 1.00 0.00 C ATOM 237 OH TYR A 17 12.764 -5.611 2.651 1.00 0.00 O ATOM 0 H TYR A 17 15.401 -1.873 7.543 1.00 0.00 H new ATOM 0 HA TYR A 17 12.788 -2.990 8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.406 -4.485 8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.895 -5.141 8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.998 -5.500 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.757 -4.110 5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.318 -6.002 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.099 -4.626 3.375 1.00 0.00 H new ATOM 0 HH TYR A 17 13.388 -6.246 2.241 1.00 0.00 H new ATOM 247 N ARG A 18 13.691 -2.717 10.742 1.00 0.00 N ATOM 248 CA ARG A 18 14.105 -2.340 12.128 1.00 0.00 C ATOM 249 C ARG A 18 14.930 -1.017 12.216 1.00 0.00 C ATOM 250 O ARG A 18 15.675 -0.806 13.170 1.00 0.00 O ATOM 251 CB ARG A 18 14.798 -3.500 12.945 1.00 0.00 C ATOM 252 CG ARG A 18 16.144 -4.059 12.434 1.00 0.00 C ATOM 253 CD ARG A 18 15.976 -5.105 11.339 1.00 0.00 C ATOM 254 NE ARG A 18 17.267 -5.669 10.920 1.00 0.00 N ATOM 255 CZ ARG A 18 17.425 -6.763 10.164 1.00 0.00 C ATOM 256 NH1 ARG A 18 16.364 -7.371 9.640 1.00 0.00 N ATOM 257 NH2 ARG A 18 18.648 -7.245 9.937 1.00 0.00 N ATOM 0 H ARG A 18 12.718 -3.019 10.684 1.00 0.00 H new ATOM 0 HA ARG A 18 13.150 -2.147 12.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.953 -3.142 13.963 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.095 -4.331 13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.752 -3.238 12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.689 -4.499 13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.329 -5.906 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.480 -4.655 10.479 1.00 0.00 H new ATOM 0 HE ARG A 18 18.111 -5.188 11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.428 -7.004 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.486 -8.204 9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.462 -6.780 10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.769 -8.078 9.361 1.00 0.00 H new ATOM 271 N GLY A 19 14.736 -0.115 11.251 1.00 0.00 N ATOM 272 CA GLY A 19 15.440 1.158 11.264 1.00 0.00 C ATOM 273 C GLY A 19 16.737 1.166 10.447 1.00 0.00 C ATOM 274 O GLY A 19 17.438 2.184 10.409 1.00 0.00 O ATOM 0 H GLY A 19 14.104 -0.245 10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.776 1.932 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.672 1.422 12.296 1.00 0.00 H new ATOM 278 N ALA A 20 17.042 0.068 9.786 1.00 0.00 N ATOM 279 CA ALA A 20 18.258 -0.052 8.976 1.00 0.00 C ATOM 280 C ALA A 20 17.879 -0.560 7.598 1.00 0.00 C ATOM 281 O ALA A 20 16.952 -1.329 7.477 1.00 0.00 O ATOM 282 CB ALA A 20 19.232 -1.012 9.640 1.00 0.00 C ATOM 0 H ALA A 20 16.461 -0.770 9.789 1.00 0.00 H new ATOM 0 HA ALA A 20 18.741 0.921 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.133 -1.095 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.496 -0.637 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 20 18.767 -1.993 9.736 1.00 0.00 H new ATOM 288 N PHE A 21 18.562 -0.148 6.567 1.00 0.00 N ATOM 289 CA PHE A 21 18.154 -0.544 5.231 1.00 0.00 C ATOM 290 C PHE A 21 19.027 -1.579 4.548 1.00 0.00 C ATOM 291 O PHE A 21 20.237 -1.655 4.764 1.00 0.00 O ATOM 292 CB PHE A 21 17.818 0.650 4.319 1.00 0.00 C ATOM 293 CG PHE A 21 18.807 1.776 4.327 1.00 0.00 C ATOM 294 CD1 PHE A 21 19.949 1.737 3.549 1.00 0.00 C ATOM 295 CD2 PHE A 21 18.571 2.886 5.109 1.00 0.00 C ATOM 296 CE1 PHE A 21 20.842 2.791 3.558 1.00 0.00 C ATOM 297 CE2 PHE A 21 19.450 3.943 5.124 1.00 0.00 C ATOM 298 CZ PHE A 21 20.590 3.899 4.348 1.00 0.00 C ATOM 0 H PHE A 21 19.388 0.449 6.613 1.00 0.00 H new ATOM 0 HA PHE A 21 17.221 -1.079 5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.719 0.285 3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.845 1.044 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.145 0.875 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.681 2.926 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 21 21.734 2.750 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 21 19.249 4.806 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.284 4.727 4.357 1.00 0.00 H new ATOM 308 N CYS A 22 18.366 -2.400 3.760 1.00 0.00 N ATOM 309 CA CYS A 22 18.974 -3.423 2.944 1.00 0.00 C ATOM 310 C CYS A 22 18.395 -3.301 1.537 1.00 0.00 C ATOM 311 O CYS A 22 17.201 -3.048 1.389 1.00 0.00 O ATOM 312 CB CYS A 22 18.666 -4.805 3.524 1.00 0.00 C ATOM 313 SG CYS A 22 19.219 -5.021 5.232 1.00 0.00 S ATOM 0 H CYS A 22 17.351 -2.370 3.669 1.00 0.00 H new ATOM 0 HA CYS A 22 20.057 -3.299 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.591 -4.977 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 22 19.139 -5.564 2.900 1.00 0.00 H new ATOM 0 HG CYS A 22 18.914 -6.218 5.639 1.00 0.00 H new ATOM 319 N GLU A 23 19.218 -3.429 0.520 1.00 0.00 N ATOM 320 CA GLU A 23 18.783 -3.292 -0.810 1.00 0.00 C ATOM 321 C GLU A 23 18.108 -4.558 -1.302 1.00 0.00 C ATOM 322 O GLU A 23 18.572 -5.671 -1.045 1.00 0.00 O ATOM 323 CB GLU A 23 19.962 -2.900 -1.668 1.00 0.00 C ATOM 324 CG GLU A 23 19.674 -2.928 -3.112 1.00 0.00 C ATOM 325 CD GLU A 23 20.847 -2.520 -3.950 1.00 0.00 C ATOM 326 OE1 GLU A 23 21.813 -3.304 -4.056 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.839 -1.405 -4.511 1.00 0.00 O ATOM 0 H GLU A 23 20.213 -3.633 0.617 1.00 0.00 H new ATOM 0 HA GLU A 23 18.030 -2.507 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 23 20.286 -1.897 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.793 -3.573 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 23 19.364 -3.934 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.835 -2.264 -3.323 1.00 0.00 H new ATOM 334 N ALA A 24 17.026 -4.371 -1.990 1.00 0.00 N ATOM 335 CA ALA A 24 16.230 -5.445 -2.524 1.00 0.00 C ATOM 336 C ALA A 24 15.607 -4.997 -3.826 1.00 0.00 C ATOM 337 O ALA A 24 15.476 -3.791 -4.071 1.00 0.00 O ATOM 338 CB ALA A 24 15.158 -5.836 -1.531 1.00 0.00 C ATOM 0 H ALA A 24 16.657 -3.445 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 24 16.860 -6.315 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.560 -6.649 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.625 -6.163 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.516 -4.978 -1.332 1.00 0.00 H new ATOM 344 N LYS A 25 15.219 -5.932 -4.649 1.00 0.00 N ATOM 345 CA LYS A 25 14.648 -5.603 -5.932 1.00 0.00 C ATOM 346 C LYS A 25 13.159 -5.857 -5.909 1.00 0.00 C ATOM 347 O LYS A 25 12.720 -6.918 -5.492 1.00 0.00 O ATOM 348 CB LYS A 25 15.314 -6.412 -7.055 1.00 0.00 C ATOM 349 CG LYS A 25 14.765 -6.093 -8.446 1.00 0.00 C ATOM 350 CD LYS A 25 15.408 -6.924 -9.569 1.00 0.00 C ATOM 351 CE LYS A 25 16.799 -6.430 -10.009 1.00 0.00 C ATOM 352 NZ LYS A 25 17.830 -6.525 -8.963 1.00 0.00 N ATOM 0 H LYS A 25 15.287 -6.931 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 25 14.827 -4.546 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.387 -6.219 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.179 -7.475 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.688 -6.264 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.920 -5.034 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.492 -7.959 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.744 -6.920 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.121 -7.009 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.719 -5.392 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.768 -6.371 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.654 -5.802 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.797 -7.469 -8.528 1.00 0.00 H new ATOM 366 N ILE A 26 12.396 -4.877 -6.325 1.00 0.00 N ATOM 367 CA ILE A 26 10.952 -4.983 -6.378 1.00 0.00 C ATOM 368 C ILE A 26 10.537 -6.110 -7.324 1.00 0.00 C ATOM 369 O ILE A 26 10.856 -6.094 -8.516 1.00 0.00 O ATOM 370 CB ILE A 26 10.302 -3.648 -6.829 1.00 0.00 C ATOM 371 CG1 ILE A 26 10.705 -2.510 -5.873 1.00 0.00 C ATOM 372 CG2 ILE A 26 8.783 -3.794 -6.872 1.00 0.00 C ATOM 373 CD1 ILE A 26 10.213 -1.137 -6.280 1.00 0.00 C ATOM 0 H ILE A 26 12.758 -3.976 -6.639 1.00 0.00 H new ATOM 0 HA ILE A 26 10.599 -5.209 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 26 10.658 -3.402 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.323 -2.738 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.792 -2.484 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.336 -2.852 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.513 -4.580 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.414 -4.054 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.544 -0.400 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.616 -0.882 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.124 -1.139 -6.325 1.00 0.00 H new ATOM 385 N LYS A 27 9.887 -7.093 -6.769 1.00 0.00 N ATOM 386 CA LYS A 27 9.400 -8.231 -7.496 1.00 0.00 C ATOM 387 C LYS A 27 7.917 -8.060 -7.798 1.00 0.00 C ATOM 388 O LYS A 27 7.456 -8.365 -8.891 1.00 0.00 O ATOM 389 CB LYS A 27 9.634 -9.507 -6.664 1.00 0.00 C ATOM 390 CG LYS A 27 9.030 -10.768 -7.258 1.00 0.00 C ATOM 391 CD LYS A 27 9.284 -11.978 -6.378 1.00 0.00 C ATOM 392 CE LYS A 27 8.592 -13.217 -6.931 1.00 0.00 C ATOM 393 NZ LYS A 27 8.854 -14.411 -6.100 1.00 0.00 N ATOM 0 H LYS A 27 9.675 -7.126 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 27 9.937 -8.317 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.707 -9.655 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.220 -9.356 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.956 -10.631 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.452 -10.943 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.356 -12.159 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.925 -11.778 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.518 -13.040 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.935 -13.401 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.023 -15.036 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.679 -14.921 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.045 -14.117 -5.121 1.00 0.00 H new ATOM 407 N THR A 28 7.185 -7.554 -6.847 1.00 0.00 N ATOM 408 CA THR A 28 5.763 -7.416 -7.003 1.00 0.00 C ATOM 409 C THR A 28 5.353 -5.974 -6.695 1.00 0.00 C ATOM 410 O THR A 28 5.913 -5.344 -5.787 1.00 0.00 O ATOM 411 CB THR A 28 5.041 -8.369 -6.029 1.00 0.00 C ATOM 412 OG1 THR A 28 5.729 -9.641 -5.999 1.00 0.00 O ATOM 413 CG2 THR A 28 3.604 -8.607 -6.474 1.00 0.00 C ATOM 0 H THR A 28 7.550 -7.229 -5.952 1.00 0.00 H new ATOM 0 HA THR A 28 5.487 -7.664 -8.028 1.00 0.00 H new ATOM 0 HB THR A 28 5.041 -7.911 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.271 -10.246 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.113 -9.282 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.069 -7.658 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.600 -9.052 -7.469 1.00 0.00 H new ATOM 421 N VAL A 29 4.405 -5.465 -7.453 1.00 0.00 N ATOM 422 CA VAL A 29 3.901 -4.114 -7.294 1.00 0.00 C ATOM 423 C VAL A 29 2.430 -4.157 -6.995 1.00 0.00 C ATOM 424 O VAL A 29 1.656 -4.762 -7.728 1.00 0.00 O ATOM 425 CB VAL A 29 4.151 -3.236 -8.557 1.00 0.00 C ATOM 426 CG1 VAL A 29 3.397 -1.907 -8.477 1.00 0.00 C ATOM 427 CG2 VAL A 29 5.632 -2.984 -8.725 1.00 0.00 C ATOM 0 H VAL A 29 3.956 -5.984 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 29 4.443 -3.658 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 29 3.775 -3.780 -9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.595 -1.322 -9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.327 -2.100 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.731 -1.352 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.798 -2.370 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.015 -2.465 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.152 -3.935 -8.840 1.00 0.00 H new ATOM 437 N LYS A 30 2.051 -3.565 -5.914 1.00 0.00 N ATOM 438 CA LYS A 30 0.695 -3.533 -5.536 1.00 0.00 C ATOM 439 C LYS A 30 0.367 -2.105 -5.189 1.00 0.00 C ATOM 440 O LYS A 30 0.584 -1.685 -4.058 1.00 0.00 O ATOM 441 CB LYS A 30 0.495 -4.429 -4.310 1.00 0.00 C ATOM 442 CG LYS A 30 -0.943 -4.739 -3.929 1.00 0.00 C ATOM 443 CD LYS A 30 -1.568 -5.741 -4.885 1.00 0.00 C ATOM 444 CE LYS A 30 -2.935 -6.170 -4.394 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.500 -7.278 -5.180 1.00 0.00 N ATOM 0 H LYS A 30 2.683 -3.089 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 30 0.049 -3.891 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.013 -5.372 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.980 -3.955 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.974 -5.135 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.528 -3.819 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.655 -5.299 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.920 -6.613 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.863 -6.471 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.614 -5.319 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.435 -7.531 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.597 -6.985 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.868 -8.102 -5.122 1.00 0.00 H new ATOM 459 N ARG A 31 -0.080 -1.322 -6.135 1.00 0.00 N ATOM 460 CA ARG A 31 -0.428 0.008 -5.783 1.00 0.00 C ATOM 461 C ARG A 31 -1.837 -0.002 -5.232 1.00 0.00 C ATOM 462 O ARG A 31 -2.815 0.028 -5.992 1.00 0.00 O ATOM 463 CB ARG A 31 -0.364 1.007 -6.915 1.00 0.00 C ATOM 464 CG ARG A 31 -0.550 2.354 -6.290 1.00 0.00 C ATOM 465 CD ARG A 31 -0.723 3.511 -7.228 1.00 0.00 C ATOM 466 NE ARG A 31 -1.016 4.711 -6.438 1.00 0.00 N ATOM 467 CZ ARG A 31 -1.573 5.830 -6.899 1.00 0.00 C ATOM 468 NH1 ARG A 31 -1.784 5.986 -8.195 1.00 0.00 N ATOM 469 NH2 ARG A 31 -1.891 6.801 -6.053 1.00 0.00 N ATOM 0 H ARG A 31 -0.205 -1.577 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 31 0.314 0.334 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.592 0.947 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.141 0.809 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.423 2.310 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.312 2.557 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.181 3.658 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.533 3.312 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.772 4.687 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.520 5.248 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.211 6.845 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.709 6.689 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.318 7.660 -6.400 1.00 0.00 H new ATOM 483 N LEU A 32 -1.951 -0.130 -3.950 1.00 0.00 N ATOM 484 CA LEU A 32 -3.244 -0.162 -3.334 1.00 0.00 C ATOM 485 C LEU A 32 -3.442 1.065 -2.505 1.00 0.00 C ATOM 486 O LEU A 32 -2.535 1.498 -1.757 1.00 0.00 O ATOM 487 CB LEU A 32 -3.485 -1.436 -2.473 1.00 0.00 C ATOM 488 CG LEU A 32 -2.748 -1.560 -1.118 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.223 -2.775 -0.368 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.259 -1.638 -1.293 1.00 0.00 C ATOM 0 H LEU A 32 -1.165 -0.214 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.976 -0.192 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.555 -1.506 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.215 -2.301 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.979 -0.660 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.694 -2.846 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.294 -2.692 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.026 -3.668 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.782 -1.724 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.009 -2.510 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.904 -0.737 -1.792 1.00 0.00 H new ATOM 502 N VAL A 33 -4.572 1.647 -2.657 1.00 0.00 N ATOM 503 CA VAL A 33 -4.941 2.771 -1.879 1.00 0.00 C ATOM 504 C VAL A 33 -5.779 2.244 -0.741 1.00 0.00 C ATOM 505 O VAL A 33 -6.740 1.526 -0.969 1.00 0.00 O ATOM 506 CB VAL A 33 -5.772 3.797 -2.707 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.111 5.028 -1.877 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.035 4.202 -3.979 1.00 0.00 C ATOM 0 H VAL A 33 -5.277 1.354 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.050 3.292 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.704 3.309 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.691 5.726 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.695 4.730 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.190 5.510 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.638 4.918 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.080 4.658 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.859 3.320 -4.594 1.00 0.00 H new ATOM 518 N LYS A 34 -5.380 2.513 0.461 1.00 0.00 N ATOM 519 CA LYS A 34 -6.161 2.114 1.581 1.00 0.00 C ATOM 520 C LYS A 34 -7.016 3.253 2.013 1.00 0.00 C ATOM 521 O LYS A 34 -6.538 4.285 2.508 1.00 0.00 O ATOM 522 CB LYS A 34 -5.348 1.517 2.721 1.00 0.00 C ATOM 523 CG LYS A 34 -4.786 0.140 2.399 1.00 0.00 C ATOM 524 CD LYS A 34 -4.328 -0.585 3.651 1.00 0.00 C ATOM 525 CE LYS A 34 -3.945 -2.024 3.339 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.731 -2.832 4.562 1.00 0.00 N ATOM 0 H LYS A 34 -4.518 3.007 0.689 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.801 1.291 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.526 2.190 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.976 1.447 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.546 -0.454 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.948 0.241 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.475 -0.064 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.124 -0.570 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.729 -2.483 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.036 -2.032 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.472 -3.803 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.965 -2.412 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.606 -2.849 5.125 1.00 0.00 H new ATOM 540 N VAL A 35 -8.256 3.086 1.780 1.00 0.00 N ATOM 541 CA VAL A 35 -9.220 4.100 1.978 1.00 0.00 C ATOM 542 C VAL A 35 -9.853 3.965 3.352 1.00 0.00 C ATOM 543 O VAL A 35 -10.292 2.879 3.750 1.00 0.00 O ATOM 544 CB VAL A 35 -10.320 4.022 0.889 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.242 5.213 0.965 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.710 3.916 -0.500 1.00 0.00 C ATOM 0 H VAL A 35 -8.647 2.210 1.434 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.719 5.066 1.908 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.904 3.121 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.004 5.133 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.721 5.240 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.668 6.128 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.505 3.863 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.091 4.792 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.096 3.017 -0.560 1.00 0.00 H new ATOM 556 N LYS A 36 -9.868 5.058 4.068 1.00 0.00 N ATOM 557 CA LYS A 36 -10.506 5.141 5.338 1.00 0.00 C ATOM 558 C LYS A 36 -11.922 5.542 5.055 1.00 0.00 C ATOM 559 O LYS A 36 -12.198 6.691 4.667 1.00 0.00 O ATOM 560 CB LYS A 36 -9.864 6.209 6.209 1.00 0.00 C ATOM 561 CG LYS A 36 -10.314 6.181 7.663 1.00 0.00 C ATOM 562 CD LYS A 36 -9.704 7.326 8.455 1.00 0.00 C ATOM 563 CE LYS A 36 -10.147 7.292 9.908 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.662 8.452 10.674 1.00 0.00 N ATOM 0 H LYS A 36 -9.426 5.928 3.771 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.428 4.191 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.781 6.089 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.090 7.189 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.401 6.243 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.029 5.231 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.617 7.268 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.994 8.276 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.236 7.262 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.784 6.376 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.991 8.381 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.622 8.469 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.029 9.327 10.249 1.00 0.00 H new ATOM 578 N VAL A 37 -12.784 4.631 5.182 1.00 0.00 N ATOM 579 CA VAL A 37 -14.151 4.843 4.907 1.00 0.00 C ATOM 580 C VAL A 37 -14.946 4.748 6.149 1.00 0.00 C ATOM 581 O VAL A 37 -14.646 3.962 7.039 1.00 0.00 O ATOM 582 CB VAL A 37 -14.706 3.866 3.841 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.458 4.397 2.452 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.071 2.484 3.991 1.00 0.00 C ATOM 0 H VAL A 37 -12.563 3.684 5.489 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.238 5.848 4.494 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.781 3.776 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.855 3.696 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.953 5.361 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.386 4.518 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.475 1.814 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.991 2.564 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.293 2.087 4.982 1.00 0.00 H new ATOM 594 N LEU A 38 -15.927 5.545 6.225 1.00 0.00 N ATOM 595 CA LEU A 38 -16.793 5.522 7.340 1.00 0.00 C ATOM 596 C LEU A 38 -18.069 4.943 6.829 1.00 0.00 C ATOM 597 O LEU A 38 -18.690 5.507 5.932 1.00 0.00 O ATOM 598 CB LEU A 38 -16.960 6.938 7.922 1.00 0.00 C ATOM 599 CG LEU A 38 -17.452 7.042 9.392 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.330 8.474 9.888 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.893 6.555 9.558 1.00 0.00 C ATOM 0 H LEU A 38 -16.161 6.240 5.516 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.409 4.923 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.000 7.450 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.661 7.483 7.290 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.815 6.391 9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.678 8.533 10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.288 8.789 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.937 9.129 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.190 6.648 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.555 7.159 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.962 5.511 9.253 1.00 0.00 H new ATOM 613 N LEU A 39 -18.408 3.796 7.332 1.00 0.00 N ATOM 614 CA LEU A 39 -19.541 3.053 6.868 1.00 0.00 C ATOM 615 C LEU A 39 -20.814 3.844 7.225 1.00 0.00 C ATOM 616 O LEU A 39 -21.105 4.061 8.383 1.00 0.00 O ATOM 617 CB LEU A 39 -19.507 1.637 7.503 1.00 0.00 C ATOM 618 CG LEU A 39 -20.171 0.461 6.742 1.00 0.00 C ATOM 619 CD1 LEU A 39 -21.627 0.676 6.518 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.477 0.177 5.429 1.00 0.00 C ATOM 0 H LEU A 39 -17.897 3.342 8.089 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.526 2.918 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.462 1.375 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -19.978 1.704 8.484 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.060 -0.411 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -22.042 -0.177 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -22.131 0.781 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -21.775 1.582 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.973 -0.654 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.521 1.063 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.435 -0.083 5.617 1.00 0.00 H new ATOM 632 N LYS A 40 -21.552 4.235 6.216 1.00 0.00 N ATOM 633 CA LYS A 40 -22.671 5.113 6.322 1.00 0.00 C ATOM 634 C LYS A 40 -23.820 4.527 7.135 1.00 0.00 C ATOM 635 O LYS A 40 -24.383 5.199 7.985 1.00 0.00 O ATOM 636 CB LYS A 40 -23.109 5.452 4.897 1.00 0.00 C ATOM 637 CG LYS A 40 -24.446 6.095 4.783 1.00 0.00 C ATOM 638 CD LYS A 40 -24.748 6.475 3.346 1.00 0.00 C ATOM 639 CE LYS A 40 -26.163 7.004 3.172 1.00 0.00 C ATOM 640 NZ LYS A 40 -27.189 5.972 3.439 1.00 0.00 N ATOM 0 H LYS A 40 -21.374 3.931 5.259 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.377 6.010 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -22.366 6.114 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.112 4.536 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.213 5.414 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.480 6.984 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.037 7.232 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.607 5.604 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -26.317 7.848 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -26.285 7.379 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -28.110 6.299 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.926 5.088 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -27.253 5.802 4.463 1.00 0.00 H new ATOM 654 N GLN A 41 -24.122 3.273 6.901 1.00 0.00 N ATOM 655 CA GLN A 41 -25.278 2.638 7.534 1.00 0.00 C ATOM 656 C GLN A 41 -24.919 2.030 8.878 1.00 0.00 C ATOM 657 O GLN A 41 -25.758 1.887 9.764 1.00 0.00 O ATOM 658 CB GLN A 41 -25.846 1.562 6.610 1.00 0.00 C ATOM 659 CG GLN A 41 -26.283 2.101 5.262 1.00 0.00 C ATOM 660 CD GLN A 41 -26.844 1.029 4.342 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.397 0.027 4.792 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.772 1.257 3.064 1.00 0.00 N ATOM 0 H GLN A 41 -23.591 2.663 6.279 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.030 3.408 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.093 0.789 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.697 1.087 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -27.038 2.872 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -25.433 2.579 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -26.307 2.097 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -27.181 0.595 2.404 1.00 0.00 H new ATOM 671 N ASP A 42 -23.678 1.700 9.028 1.00 0.00 N ATOM 672 CA ASP A 42 -23.216 1.006 10.238 1.00 0.00 C ATOM 673 C ASP A 42 -22.589 1.974 11.234 1.00 0.00 C ATOM 674 O ASP A 42 -22.702 1.784 12.441 1.00 0.00 O ATOM 675 CB ASP A 42 -22.238 -0.112 9.879 1.00 0.00 C ATOM 676 CG ASP A 42 -21.913 -1.020 11.041 1.00 0.00 C ATOM 677 OD1 ASP A 42 -22.665 -1.992 11.275 1.00 0.00 O ATOM 678 OD2 ASP A 42 -20.897 -0.808 11.716 1.00 0.00 O ATOM 0 H ASP A 42 -22.948 1.889 8.342 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.088 0.561 10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.660 -0.707 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.315 0.329 9.503 1.00 0.00 H new ATOM 683 N ASN A 43 -21.959 3.025 10.707 1.00 0.00 N ATOM 684 CA ASN A 43 -21.298 4.096 11.488 1.00 0.00 C ATOM 685 C ASN A 43 -19.958 3.712 12.069 1.00 0.00 C ATOM 686 O ASN A 43 -19.471 4.346 13.008 1.00 0.00 O ATOM 687 CB ASN A 43 -22.214 4.769 12.524 1.00 0.00 C ATOM 688 CG ASN A 43 -23.122 5.799 11.893 1.00 0.00 C ATOM 689 OD1 ASN A 43 -22.768 6.980 11.800 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.277 5.386 11.453 1.00 0.00 N ATOM 0 H ASN A 43 -21.887 3.168 9.700 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.080 4.857 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.818 4.010 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.604 5.245 13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -24.921 6.045 11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.537 4.404 11.546 1.00 0.00 H new ATOM 697 N THR A 44 -19.334 2.721 11.499 1.00 0.00 N ATOM 698 CA THR A 44 -18.005 2.360 11.888 1.00 0.00 C ATOM 699 C THR A 44 -17.021 2.870 10.880 1.00 0.00 C ATOM 700 O THR A 44 -17.354 3.018 9.705 1.00 0.00 O ATOM 701 CB THR A 44 -17.850 0.853 12.038 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.614 0.171 11.026 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.252 0.413 13.419 1.00 0.00 C ATOM 0 H THR A 44 -19.731 2.145 10.756 1.00 0.00 H new ATOM 0 HA THR A 44 -17.810 2.816 12.859 1.00 0.00 H new ATOM 0 HB THR A 44 -16.800 0.592 11.902 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.345 -0.327 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.134 -0.667 13.506 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.620 0.907 14.157 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.294 0.679 13.597 1.00 0.00 H new ATOM 711 N THR A 45 -15.844 3.179 11.309 1.00 0.00 N ATOM 712 CA THR A 45 -14.861 3.605 10.378 1.00 0.00 C ATOM 713 C THR A 45 -13.943 2.431 10.124 1.00 0.00 C ATOM 714 O THR A 45 -13.576 1.704 11.057 1.00 0.00 O ATOM 715 CB THR A 45 -14.049 4.784 10.887 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.909 5.671 11.609 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.480 5.555 9.713 1.00 0.00 C ATOM 0 H THR A 45 -15.544 3.145 12.283 1.00 0.00 H new ATOM 0 HA THR A 45 -15.358 3.938 9.467 1.00 0.00 H new ATOM 0 HB THR A 45 -13.247 4.412 11.525 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.389 6.433 11.941 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.898 6.400 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.837 4.900 9.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.295 5.920 9.088 1.00 0.00 H new ATOM 725 N GLN A 46 -13.583 2.248 8.915 1.00 0.00 N ATOM 726 CA GLN A 46 -12.800 1.128 8.515 1.00 0.00 C ATOM 727 C GLN A 46 -11.796 1.620 7.499 1.00 0.00 C ATOM 728 O GLN A 46 -12.091 2.529 6.744 1.00 0.00 O ATOM 729 CB GLN A 46 -13.731 0.093 7.872 1.00 0.00 C ATOM 730 CG GLN A 46 -13.171 -1.314 7.808 1.00 0.00 C ATOM 731 CD GLN A 46 -12.932 -1.887 9.186 1.00 0.00 C ATOM 732 OE1 GLN A 46 -11.850 -1.756 9.749 1.00 0.00 O ATOM 733 NE2 GLN A 46 -13.936 -2.504 9.748 1.00 0.00 N ATOM 0 H GLN A 46 -13.825 2.881 8.152 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.286 0.672 9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.667 0.071 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.971 0.420 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.863 -1.956 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.235 -1.307 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.822 -2.595 9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.834 -2.895 10.684 1.00 0.00 H new ATOM 742 N LEU A 47 -10.630 1.079 7.500 1.00 0.00 N ATOM 743 CA LEU A 47 -9.638 1.462 6.535 1.00 0.00 C ATOM 744 C LEU A 47 -9.171 0.213 5.818 1.00 0.00 C ATOM 745 O LEU A 47 -8.483 -0.641 6.389 1.00 0.00 O ATOM 746 CB LEU A 47 -8.507 2.302 7.202 1.00 0.00 C ATOM 747 CG LEU A 47 -7.398 2.878 6.286 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.826 4.165 6.884 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.269 1.873 6.125 1.00 0.00 C ATOM 0 H LEU A 47 -10.329 0.363 8.161 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.052 2.129 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.974 3.135 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.028 1.679 7.957 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.843 3.091 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.048 4.557 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.621 4.904 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.401 3.953 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.498 2.292 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.841 1.647 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.658 0.958 5.679 1.00 0.00 H new ATOM 761 N VAL A 48 -9.602 0.091 4.592 1.00 0.00 N ATOM 762 CA VAL A 48 -9.388 -1.097 3.779 1.00 0.00 C ATOM 763 C VAL A 48 -8.963 -0.713 2.383 1.00 0.00 C ATOM 764 O VAL A 48 -8.796 0.456 2.084 1.00 0.00 O ATOM 765 CB VAL A 48 -10.673 -1.984 3.696 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.939 -2.671 5.021 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.886 -1.143 3.288 1.00 0.00 C ATOM 0 H VAL A 48 -10.124 0.824 4.111 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.599 -1.675 4.261 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.505 -2.747 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.838 -3.283 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.091 -3.305 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.080 -1.920 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.769 -1.780 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.048 -0.357 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.705 -0.693 2.312 1.00 0.00 H new ATOM 777 N GLN A 49 -8.779 -1.699 1.545 1.00 0.00 N ATOM 778 CA GLN A 49 -8.383 -1.492 0.174 1.00 0.00 C ATOM 779 C GLN A 49 -9.420 -0.756 -0.629 1.00 0.00 C ATOM 780 O GLN A 49 -10.617 -0.898 -0.413 1.00 0.00 O ATOM 781 CB GLN A 49 -8.130 -2.836 -0.511 1.00 0.00 C ATOM 782 CG GLN A 49 -6.697 -3.198 -0.635 1.00 0.00 C ATOM 783 CD GLN A 49 -6.457 -4.563 -1.281 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.369 -5.489 -1.110 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 -5.437 -4.778 -1.936 1.00 0.00 N flip ATOM 0 H GLN A 49 -8.901 -2.680 1.797 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.477 -0.887 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.643 -3.618 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.574 -2.813 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.189 -2.434 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.243 -3.191 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.742 -4.041 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.287 -5.693 -2.360 1.00 0.00 H new ATOM 794 N ASP A 50 -8.937 -0.035 -1.606 1.00 0.00 N ATOM 795 CA ASP A 50 -9.764 0.617 -2.605 1.00 0.00 C ATOM 796 C ASP A 50 -10.370 -0.460 -3.502 1.00 0.00 C ATOM 797 O ASP A 50 -11.360 -0.263 -4.159 1.00 0.00 O ATOM 798 CB ASP A 50 -8.919 1.631 -3.404 1.00 0.00 C ATOM 799 CG ASP A 50 -8.988 1.461 -4.903 1.00 0.00 C ATOM 800 OD1 ASP A 50 -9.864 2.062 -5.549 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.137 0.728 -5.464 1.00 0.00 O ATOM 0 H ASP A 50 -7.938 0.123 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.574 1.176 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.248 2.639 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.879 1.546 -3.089 1.00 0.00 H new ATOM 806 N ASP A 51 -9.766 -1.623 -3.456 1.00 0.00 N ATOM 807 CA ASP A 51 -10.256 -2.800 -4.165 1.00 0.00 C ATOM 808 C ASP A 51 -11.532 -3.315 -3.483 1.00 0.00 C ATOM 809 O ASP A 51 -12.389 -3.955 -4.103 1.00 0.00 O ATOM 810 CB ASP A 51 -9.173 -3.881 -4.185 1.00 0.00 C ATOM 811 CG ASP A 51 -9.577 -5.133 -4.931 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.625 -5.116 -6.186 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.795 -6.168 -4.294 1.00 0.00 O ATOM 0 H ASP A 51 -8.912 -1.790 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.495 -2.536 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.272 -3.472 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.918 -4.146 -3.159 1.00 0.00 H new ATOM 818 N GLN A 52 -11.670 -2.994 -2.197 1.00 0.00 N ATOM 819 CA GLN A 52 -12.866 -3.343 -1.435 1.00 0.00 C ATOM 820 C GLN A 52 -13.895 -2.260 -1.656 1.00 0.00 C ATOM 821 O GLN A 52 -15.084 -2.455 -1.437 1.00 0.00 O ATOM 822 CB GLN A 52 -12.568 -3.425 0.072 1.00 0.00 C ATOM 823 CG GLN A 52 -11.457 -4.376 0.456 1.00 0.00 C ATOM 824 CD GLN A 52 -11.724 -5.787 0.018 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.350 -6.183 -1.076 1.00 0.00 O ATOM 826 NE2 GLN A 52 -12.346 -6.558 0.861 1.00 0.00 N ATOM 0 H GLN A 52 -10.964 -2.490 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.223 -4.316 -1.771 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.312 -2.428 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.478 -3.726 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.522 -4.033 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.324 -4.355 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.643 -6.191 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.537 -7.530 0.618 1.00 0.00 H new ATOM 835 N VAL A 53 -13.409 -1.130 -2.100 1.00 0.00 N ATOM 836 CA VAL A 53 -14.218 0.038 -2.331 1.00 0.00 C ATOM 837 C VAL A 53 -14.731 0.089 -3.751 1.00 0.00 C ATOM 838 O VAL A 53 -13.983 0.236 -4.713 1.00 0.00 O ATOM 839 CB VAL A 53 -13.457 1.346 -1.991 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.275 2.576 -2.364 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.138 1.371 -0.522 1.00 0.00 C ATOM 0 H VAL A 53 -12.421 -0.993 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.073 -0.041 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.535 1.368 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.714 3.476 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.482 2.564 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.215 2.569 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.603 2.290 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.064 1.329 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.516 0.512 -0.270 1.00 0.00 H new ATOM 851 N LYS A 54 -15.986 -0.064 -3.873 1.00 0.00 N ATOM 852 CA LYS A 54 -16.628 0.057 -5.127 1.00 0.00 C ATOM 853 C LYS A 54 -17.211 1.439 -5.247 1.00 0.00 C ATOM 854 O LYS A 54 -18.252 1.750 -4.652 1.00 0.00 O ATOM 855 CB LYS A 54 -17.686 -1.032 -5.346 1.00 0.00 C ATOM 856 CG LYS A 54 -17.110 -2.428 -5.612 1.00 0.00 C ATOM 857 CD LYS A 54 -16.426 -3.057 -4.408 1.00 0.00 C ATOM 858 CE LYS A 54 -15.768 -4.383 -4.773 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.646 -4.219 -5.727 1.00 0.00 N ATOM 0 H LYS A 54 -16.612 -0.280 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.889 -0.089 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.329 -1.079 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.316 -0.746 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.915 -3.084 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.394 -2.364 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.675 -2.372 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.157 -3.217 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.402 -4.864 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.515 -5.048 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.728 -4.927 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.678 -3.265 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.743 -4.349 -5.227 1.00 0.00 H new ATOM 873 N GLY A 55 -16.483 2.286 -5.926 1.00 0.00 N ATOM 874 CA GLY A 55 -16.916 3.632 -6.147 1.00 0.00 C ATOM 875 C GLY A 55 -15.742 4.581 -6.279 1.00 0.00 C ATOM 876 O GLY A 55 -14.586 4.141 -6.183 1.00 0.00 O ATOM 0 H GLY A 55 -15.578 2.059 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.523 3.676 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.551 3.951 -5.321 1.00 0.00 H new ATOM 880 N PRO A 56 -16.000 5.884 -6.509 1.00 0.00 N ATOM 881 CA PRO A 56 -14.949 6.893 -6.688 1.00 0.00 C ATOM 882 C PRO A 56 -14.083 7.120 -5.455 1.00 0.00 C ATOM 883 O PRO A 56 -14.570 7.162 -4.319 1.00 0.00 O ATOM 884 CB PRO A 56 -15.712 8.188 -6.982 1.00 0.00 C ATOM 885 CG PRO A 56 -17.100 7.950 -6.498 1.00 0.00 C ATOM 886 CD PRO A 56 -17.348 6.472 -6.639 1.00 0.00 C ATOM 0 HA PRO A 56 -14.265 6.567 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.258 9.036 -6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.702 8.416 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.210 8.266 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.820 8.523 -7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.023 6.103 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.800 6.231 -7.601 1.00 0.00 H new ATOM 894 N LEU A 57 -12.814 7.310 -5.690 1.00 0.00 N ATOM 895 CA LEU A 57 -11.888 7.638 -4.642 1.00 0.00 C ATOM 896 C LEU A 57 -11.877 9.131 -4.488 1.00 0.00 C ATOM 897 O LEU A 57 -11.061 9.827 -5.090 1.00 0.00 O ATOM 898 CB LEU A 57 -10.488 7.125 -4.982 1.00 0.00 C ATOM 899 CG LEU A 57 -10.368 5.626 -5.230 1.00 0.00 C ATOM 900 CD1 LEU A 57 -8.919 5.237 -5.466 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.969 4.842 -4.073 1.00 0.00 C ATOM 0 H LEU A 57 -12.392 7.242 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.194 7.165 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.136 7.650 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.816 7.393 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.931 5.377 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.854 4.163 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.536 5.770 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.325 5.498 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.874 3.774 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.442 5.091 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.023 5.099 -3.968 1.00 0.00 H new ATOM 913 N ARG A 58 -12.853 9.614 -3.763 1.00 0.00 N ATOM 914 CA ARG A 58 -13.033 11.022 -3.489 1.00 0.00 C ATOM 915 C ARG A 58 -13.451 11.191 -2.067 1.00 0.00 C ATOM 916 O ARG A 58 -14.337 10.479 -1.592 1.00 0.00 O ATOM 917 CB ARG A 58 -14.055 11.669 -4.444 1.00 0.00 C ATOM 918 CG ARG A 58 -13.613 11.723 -5.902 1.00 0.00 C ATOM 919 CD ARG A 58 -14.651 12.402 -6.769 1.00 0.00 C ATOM 920 NE ARG A 58 -14.217 12.506 -8.166 1.00 0.00 N ATOM 921 CZ ARG A 58 -14.815 13.249 -9.104 1.00 0.00 C ATOM 922 NH1 ARG A 58 -15.922 13.921 -8.819 1.00 0.00 N ATOM 923 NH2 ARG A 58 -14.297 13.318 -10.323 1.00 0.00 N ATOM 0 H ARG A 58 -13.566 9.024 -3.334 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.085 11.533 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.992 11.115 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.261 12.683 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.667 12.259 -5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.436 10.712 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.586 11.843 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.855 13.399 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.395 11.970 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.321 13.873 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.375 14.486 -9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.444 12.805 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.752 13.884 -11.039 1.00 0.00 H new ATOM 937 N VAL A 59 -12.825 12.104 -1.377 1.00 0.00 N ATOM 938 CA VAL A 59 -13.100 12.296 0.019 1.00 0.00 C ATOM 939 C VAL A 59 -14.449 12.952 0.182 1.00 0.00 C ATOM 940 O VAL A 59 -14.648 14.112 -0.176 1.00 0.00 O ATOM 941 CB VAL A 59 -12.001 13.114 0.734 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.273 13.170 2.227 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.641 12.497 0.477 1.00 0.00 C ATOM 0 H VAL A 59 -12.117 12.730 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.110 11.315 0.494 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.009 14.129 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.491 13.749 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.239 13.642 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.284 12.158 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.874 13.082 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.628 11.475 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.441 12.490 -0.594 1.00 0.00 H new ATOM 953 N GLY A 60 -15.366 12.192 0.688 1.00 0.00 N ATOM 954 CA GLY A 60 -16.707 12.661 0.834 1.00 0.00 C ATOM 955 C GLY A 60 -17.663 11.978 -0.120 1.00 0.00 C ATOM 956 O GLY A 60 -18.838 12.352 -0.191 1.00 0.00 O ATOM 0 H GLY A 60 -15.209 11.237 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.038 12.493 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.734 13.737 0.663 1.00 0.00 H new ATOM 960 N ALA A 61 -17.192 10.962 -0.840 1.00 0.00 N ATOM 961 CA ALA A 61 -18.071 10.288 -1.789 1.00 0.00 C ATOM 962 C ALA A 61 -18.738 9.077 -1.158 1.00 0.00 C ATOM 963 O ALA A 61 -18.156 8.438 -0.267 1.00 0.00 O ATOM 964 CB ALA A 61 -17.323 9.899 -3.059 1.00 0.00 C ATOM 0 H ALA A 61 -16.241 10.598 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.854 10.994 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -18.007 9.399 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.923 10.795 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.504 9.225 -2.807 1.00 0.00 H new ATOM 970 N ILE A 62 -19.961 8.793 -1.588 1.00 0.00 N ATOM 971 CA ILE A 62 -20.696 7.629 -1.131 1.00 0.00 C ATOM 972 C ILE A 62 -20.295 6.459 -2.004 1.00 0.00 C ATOM 973 O ILE A 62 -20.494 6.486 -3.225 1.00 0.00 O ATOM 974 CB ILE A 62 -22.246 7.822 -1.242 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.720 9.071 -0.473 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.988 6.576 -0.744 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.436 9.036 1.012 1.00 0.00 C ATOM 0 H ILE A 62 -20.468 9.365 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.458 7.462 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.480 7.970 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -22.240 9.951 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.793 9.189 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -24.063 6.734 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.698 5.715 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.731 6.392 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.802 9.953 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.939 8.178 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.362 8.952 1.175 1.00 0.00 H new ATOM 989 N VAL A 63 -19.703 5.480 -1.405 1.00 0.00 N ATOM 990 CA VAL A 63 -19.253 4.295 -2.099 1.00 0.00 C ATOM 991 C VAL A 63 -19.728 3.079 -1.365 1.00 0.00 C ATOM 992 O VAL A 63 -20.376 3.195 -0.335 1.00 0.00 O ATOM 993 CB VAL A 63 -17.708 4.234 -2.191 1.00 0.00 C ATOM 994 CG1 VAL A 63 -17.181 5.376 -3.021 1.00 0.00 C ATOM 995 CG2 VAL A 63 -17.079 4.251 -0.793 1.00 0.00 C ATOM 0 H VAL A 63 -19.510 5.470 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.662 4.330 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.433 3.298 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.094 5.316 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.597 5.317 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.470 6.322 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.994 4.207 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.364 5.168 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.431 3.390 -0.225 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.417 1.936 -1.880 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.734 0.703 -1.215 1.00 0.00 C ATOM 1007 C GLU A 64 -18.479 -0.063 -0.966 1.00 0.00 C ATOM 1008 O GLU A 64 -17.706 -0.304 -1.874 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.725 -0.109 -2.007 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.090 0.542 -2.059 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.070 -0.224 -2.884 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.683 -1.185 -2.372 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.275 0.130 -4.054 1.00 0.00 O ATOM 0 H GLU A 64 -18.936 1.824 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.205 0.929 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.351 -0.245 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.815 -1.101 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.477 0.643 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.991 1.549 -2.464 1.00 0.00 H new ATOM 1020 N THR A 65 -18.268 -0.423 0.240 1.00 0.00 N ATOM 1021 CA THR A 65 -17.073 -1.092 0.615 1.00 0.00 C ATOM 1022 C THR A 65 -17.423 -2.285 1.455 1.00 0.00 C ATOM 1023 O THR A 65 -18.547 -2.372 1.990 1.00 0.00 O ATOM 1024 CB THR A 65 -16.118 -0.150 1.378 1.00 0.00 C ATOM 1025 OG1 THR A 65 -14.851 -0.785 1.609 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.730 0.266 2.699 1.00 0.00 C ATOM 0 H THR A 65 -18.922 -0.263 1.006 1.00 0.00 H new ATOM 0 HA THR A 65 -16.553 -1.419 -0.286 1.00 0.00 H new ATOM 0 HB THR A 65 -15.958 0.736 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.260 -0.170 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.044 0.930 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.670 0.786 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.917 -0.618 3.308 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.521 -3.207 1.532 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.750 -4.403 2.296 1.00 0.00 C ATOM 1036 C ARG A 66 -16.612 -4.101 3.785 1.00 0.00 C ATOM 1037 O ARG A 66 -15.533 -3.761 4.266 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.806 -5.522 1.884 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.269 -6.876 2.376 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.381 -8.003 1.896 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.985 -9.307 2.195 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.337 -10.470 2.310 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -14.013 -10.528 2.149 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -16.029 -11.582 2.583 1.00 0.00 N ATOM 0 H ARG A 66 -15.611 -3.160 1.074 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.765 -4.746 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.723 -5.542 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.810 -5.317 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.291 -6.875 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.290 -7.053 2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.217 -7.911 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.404 -7.931 2.375 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.996 -9.327 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.487 -9.680 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.527 -11.420 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.041 -11.537 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.544 -12.475 2.673 1.00 0.00 H new ATOM 1058 N THR A 67 -17.705 -4.217 4.493 1.00 0.00 N ATOM 1059 CA THR A 67 -17.739 -3.929 5.905 1.00 0.00 C ATOM 1060 C THR A 67 -17.305 -5.171 6.718 1.00 0.00 C ATOM 1061 O THR A 67 -17.012 -6.240 6.145 1.00 0.00 O ATOM 1062 CB THR A 67 -19.158 -3.417 6.338 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.197 -3.076 7.737 1.00 0.00 O ATOM 1064 CG2 THR A 67 -20.196 -4.455 6.056 1.00 0.00 C ATOM 0 H THR A 67 -18.601 -4.515 4.106 1.00 0.00 H new ATOM 0 HA THR A 67 -17.029 -3.129 6.115 1.00 0.00 H new ATOM 0 HB THR A 67 -19.367 -2.519 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.094 -2.760 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 67 -21.174 -4.084 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 67 -20.209 -4.676 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.962 -5.363 6.611 1.00 0.00 H new ATOM 1072 N SER A 68 -17.306 -5.034 8.033 1.00 0.00 N ATOM 1073 CA SER A 68 -16.895 -6.070 8.975 1.00 0.00 C ATOM 1074 C SER A 68 -17.842 -7.281 8.912 1.00 0.00 C ATOM 1075 O SER A 68 -17.513 -8.376 9.365 1.00 0.00 O ATOM 1076 CB SER A 68 -16.918 -5.469 10.367 1.00 0.00 C ATOM 1077 OG SER A 68 -16.287 -4.190 10.366 1.00 0.00 O ATOM 0 H SER A 68 -17.602 -4.173 8.492 1.00 0.00 H new ATOM 0 HA SER A 68 -15.894 -6.420 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.948 -5.374 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.408 -6.133 11.065 1.00 0.00 H new ATOM 0 HG SER A 68 -16.310 -3.813 11.270 1.00 0.00 H new ATOM 1083 N ASP A 69 -19.012 -7.060 8.351 1.00 0.00 N ATOM 1084 CA ASP A 69 -20.004 -8.109 8.159 1.00 0.00 C ATOM 1085 C ASP A 69 -19.606 -9.013 6.994 1.00 0.00 C ATOM 1086 O ASP A 69 -20.032 -10.159 6.897 1.00 0.00 O ATOM 1087 CB ASP A 69 -21.391 -7.491 7.913 1.00 0.00 C ATOM 1088 CG ASP A 69 -22.466 -8.525 7.654 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -22.886 -9.211 8.605 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -22.904 -8.670 6.488 1.00 0.00 O ATOM 0 H ASP A 69 -19.308 -6.145 8.012 1.00 0.00 H new ATOM 0 HA ASP A 69 -20.050 -8.715 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.673 -6.891 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -21.334 -6.814 7.061 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.768 -8.495 6.124 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.346 -9.242 4.965 1.00 0.00 C ATOM 1097 C GLY A 70 -19.097 -8.817 3.733 1.00 0.00 C ATOM 1098 O GLY A 70 -18.693 -9.118 2.616 1.00 0.00 O ATOM 0 H GLY A 70 -18.367 -7.560 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.277 -9.099 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.503 -10.306 5.139 1.00 0.00 H new ATOM 1102 N SER A 71 -20.163 -8.111 3.940 1.00 0.00 N ATOM 1103 CA SER A 71 -20.981 -7.621 2.868 1.00 0.00 C ATOM 1104 C SER A 71 -20.500 -6.229 2.446 1.00 0.00 C ATOM 1105 O SER A 71 -19.787 -5.556 3.200 1.00 0.00 O ATOM 1106 CB SER A 71 -22.426 -7.568 3.352 1.00 0.00 C ATOM 1107 OG SER A 71 -22.822 -8.849 3.850 1.00 0.00 O ATOM 0 H SER A 71 -20.497 -7.853 4.869 1.00 0.00 H new ATOM 0 HA SER A 71 -20.911 -8.281 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.529 -6.817 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.081 -7.268 2.534 1.00 0.00 H new ATOM 0 HG SER A 71 -22.548 -8.935 4.787 1.00 0.00 H new ATOM 1113 N PHE A 72 -20.848 -5.821 1.261 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.511 -4.505 0.783 1.00 0.00 C ATOM 1115 C PHE A 72 -21.650 -3.584 1.111 1.00 0.00 C ATOM 1116 O PHE A 72 -22.800 -3.890 0.810 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.205 -4.522 -0.721 1.00 0.00 C ATOM 1118 CG PHE A 72 -18.971 -5.318 -1.063 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.023 -6.697 -1.174 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -17.760 -4.686 -1.260 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -17.893 -7.428 -1.470 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -16.624 -5.412 -1.560 1.00 0.00 C ATOM 1123 CZ PHE A 72 -16.692 -6.784 -1.665 1.00 0.00 C ATOM 0 H PHE A 72 -21.373 -6.388 0.596 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.605 -4.149 1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.059 -4.939 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.079 -3.498 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -19.963 -7.207 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.700 -3.611 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -17.949 -8.504 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.683 -4.904 -1.712 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.805 -7.353 -1.900 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.350 -2.493 1.755 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.365 -1.583 2.226 1.00 0.00 C ATOM 1135 C GLN A 73 -21.875 -0.150 2.005 1.00 0.00 C ATOM 1136 O GLN A 73 -20.678 0.053 1.758 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.653 -1.919 3.712 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.843 -1.223 4.358 1.00 0.00 C ATOM 1139 CD GLN A 73 -24.246 -1.900 5.660 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.774 -1.563 6.740 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -25.101 -2.867 5.556 1.00 0.00 N ATOM 0 H GLN A 73 -20.396 -2.205 1.971 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.303 -1.682 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.805 -2.995 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.763 -1.678 4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.595 -0.179 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.687 -1.227 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.474 -3.122 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.401 -3.374 6.389 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.779 0.827 2.092 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.441 2.227 1.808 1.00 0.00 C ATOM 1152 C GLU A 74 -21.503 2.797 2.835 1.00 0.00 C ATOM 1153 O GLU A 74 -21.685 2.608 4.035 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.677 3.109 1.800 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.702 2.764 0.771 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.891 3.683 0.841 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.495 3.814 1.937 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -26.245 4.292 -0.176 1.00 0.00 O ATOM 0 H GLU A 74 -23.752 0.677 2.357 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.968 2.220 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.144 3.061 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.365 4.142 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -24.255 2.822 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -25.029 1.734 0.914 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.532 3.507 2.360 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.561 4.170 3.181 1.00 0.00 C ATOM 1167 C ALA A 75 -19.151 5.470 2.538 1.00 0.00 C ATOM 1168 O ALA A 75 -19.419 5.689 1.359 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.345 3.300 3.377 1.00 0.00 C ATOM 0 H ALA A 75 -20.385 3.648 1.361 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.010 4.368 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.621 3.822 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.638 2.369 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.895 3.080 2.409 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.521 6.320 3.300 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.027 7.593 2.778 1.00 0.00 C ATOM 1177 C ILE A 76 -16.508 7.633 2.926 1.00 0.00 C ATOM 1178 O ILE A 76 -15.978 7.238 3.976 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.586 8.866 3.528 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.112 8.838 3.759 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.201 10.132 2.779 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.557 8.034 4.971 1.00 0.00 C ATOM 0 H ILE A 76 -18.330 6.166 4.290 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.365 7.636 1.743 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.125 8.856 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.468 9.862 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.593 8.427 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.593 11.001 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.115 10.203 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.619 10.101 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.643 8.071 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.237 6.998 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.110 8.456 5.871 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.809 8.094 1.899 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.356 8.245 1.982 1.00 0.00 C ATOM 1196 C ILE A 77 -14.014 9.381 2.934 1.00 0.00 C ATOM 1197 O ILE A 77 -14.476 10.504 2.751 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.637 8.511 0.604 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.801 7.356 -0.389 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.151 8.806 0.796 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.156 7.250 -0.997 1.00 0.00 C ATOM 0 H ILE A 77 -16.216 8.369 1.005 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.987 7.285 2.342 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.129 9.387 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.067 7.473 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.572 6.420 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.687 8.984 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.034 9.690 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.670 7.954 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.181 6.406 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.896 7.099 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.384 8.168 -1.539 1.00 0.00 H new ATOM 1213 N SER A 78 -13.248 9.088 3.947 1.00 0.00 N ATOM 1214 CA SER A 78 -12.810 10.096 4.886 1.00 0.00 C ATOM 1215 C SER A 78 -11.295 10.345 4.750 1.00 0.00 C ATOM 1216 O SER A 78 -10.773 11.369 5.197 1.00 0.00 O ATOM 1217 CB SER A 78 -13.190 9.666 6.297 1.00 0.00 C ATOM 1218 OG SER A 78 -14.593 9.403 6.354 1.00 0.00 O ATOM 0 H SER A 78 -12.907 8.148 4.150 1.00 0.00 H new ATOM 0 HA SER A 78 -13.307 11.041 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.630 8.774 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.927 10.447 7.010 1.00 0.00 H new ATOM 0 HG SER A 78 -14.865 9.281 7.287 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.615 9.412 4.109 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.188 9.481 3.864 1.00 0.00 C ATOM 1226 C LYS A 79 -8.844 8.430 2.840 1.00 0.00 C ATOM 1227 O LYS A 79 -9.452 7.383 2.822 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.367 9.208 5.159 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.861 9.327 4.967 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.105 9.012 6.243 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.598 9.027 6.016 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.125 10.323 5.493 1.00 0.00 N ATOM 0 H LYS A 79 -11.050 8.568 3.737 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.939 10.483 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.682 9.909 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.600 8.207 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.540 8.648 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.615 10.337 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.366 9.740 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.408 8.033 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.089 8.809 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.330 8.235 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.085 10.347 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.455 10.444 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.501 11.093 6.082 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.932 8.722 1.975 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.418 7.742 1.058 1.00 0.00 C ATOM 1248 C LEU A 80 -5.913 7.715 1.134 1.00 0.00 C ATOM 1249 O LEU A 80 -5.235 8.675 0.777 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.988 7.862 -0.378 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.481 9.245 -0.876 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.385 10.302 -0.884 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -9.076 9.112 -2.258 1.00 0.00 C ATOM 0 H LEU A 80 -7.516 9.648 1.878 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.779 6.763 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.217 7.519 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.822 7.166 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.240 9.582 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.793 11.247 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.999 10.434 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.577 9.983 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.420 10.088 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.320 8.732 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.918 8.421 -2.227 1.00 0.00 H new ATOM 1265 N THR A 81 -5.409 6.643 1.640 1.00 0.00 N ATOM 1266 CA THR A 81 -4.016 6.529 1.982 1.00 0.00 C ATOM 1267 C THR A 81 -3.267 5.702 0.945 1.00 0.00 C ATOM 1268 O THR A 81 -3.682 4.597 0.610 1.00 0.00 O ATOM 1269 CB THR A 81 -3.911 5.822 3.344 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.920 6.354 4.225 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.540 6.035 3.971 1.00 0.00 C ATOM 0 H THR A 81 -5.954 5.803 1.834 1.00 0.00 H new ATOM 0 HA THR A 81 -3.576 7.525 2.018 1.00 0.00 H new ATOM 0 HB THR A 81 -4.057 4.753 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.781 5.928 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.496 5.524 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.772 5.633 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.369 7.101 4.119 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.190 6.231 0.429 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.370 5.474 -0.490 1.00 0.00 C ATOM 1281 C ASP A 82 -0.513 4.517 0.276 1.00 0.00 C ATOM 1282 O ASP A 82 0.461 4.918 0.910 1.00 0.00 O ATOM 1283 CB ASP A 82 -0.485 6.360 -1.371 1.00 0.00 C ATOM 1284 CG ASP A 82 -1.244 7.099 -2.438 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -1.592 6.480 -3.457 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -1.477 8.318 -2.285 1.00 0.00 O ATOM 0 H ASP A 82 -1.858 7.176 0.625 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.047 4.937 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.034 7.082 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.279 5.741 -1.843 1.00 0.00 H new ATOM 1291 N ALA A 83 -0.891 3.272 0.266 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.130 2.269 0.950 1.00 0.00 C ATOM 1293 C ALA A 83 0.964 1.789 0.029 1.00 0.00 C ATOM 1294 O ALA A 83 2.147 2.042 0.270 1.00 0.00 O ATOM 1295 CB ALA A 83 -1.031 1.116 1.383 1.00 0.00 C ATOM 0 H ALA A 83 -1.724 2.927 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 83 0.315 2.688 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.436 0.364 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.805 1.491 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.497 0.669 0.505 1.00 0.00 H new ATOM 1301 N SER A 84 0.529 1.179 -1.070 1.00 0.00 N ATOM 1302 CA SER A 84 1.393 0.611 -2.087 1.00 0.00 C ATOM 1303 C SER A 84 2.395 -0.425 -1.529 1.00 0.00 C ATOM 1304 O SER A 84 3.427 -0.078 -0.956 1.00 0.00 O ATOM 1305 CB SER A 84 2.077 1.704 -2.890 1.00 0.00 C ATOM 1306 OG SER A 84 1.115 2.563 -3.488 1.00 0.00 O ATOM 0 H SER A 84 -0.463 1.066 -1.279 1.00 0.00 H new ATOM 0 HA SER A 84 0.752 0.049 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.735 2.282 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.703 1.257 -3.662 1.00 0.00 H new ATOM 0 HG SER A 84 1.027 3.379 -2.952 1.00 0.00 H new ATOM 1312 N TRP A 85 2.068 -1.687 -1.715 1.00 0.00 N ATOM 1313 CA TRP A 85 2.899 -2.770 -1.258 1.00 0.00 C ATOM 1314 C TRP A 85 3.875 -3.148 -2.330 1.00 0.00 C ATOM 1315 O TRP A 85 3.514 -3.266 -3.510 1.00 0.00 O ATOM 1316 CB TRP A 85 2.103 -4.025 -0.866 1.00 0.00 C ATOM 1317 CG TRP A 85 1.244 -3.932 0.354 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.081 -4.206 0.422 1.00 0.00 C ATOM 1319 CD2 TRP A 85 1.647 -3.582 1.688 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -0.537 -4.025 1.695 1.00 0.00 N ATOM 1321 CE2 TRP A 85 0.499 -3.648 2.495 1.00 0.00 C ATOM 1322 CE3 TRP A 85 2.856 -3.214 2.273 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 0.526 -3.362 3.855 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 2.883 -2.933 3.623 1.00 0.00 C ATOM 1325 CH2 TRP A 85 1.725 -3.009 4.400 1.00 0.00 C ATOM 0 H TRP A 85 1.216 -1.986 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 85 3.408 -2.407 -0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.467 -4.299 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.809 -4.842 -0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.689 -4.522 -0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.502 -4.152 2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.756 -3.150 1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.369 -3.417 4.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.816 -2.649 4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.780 -2.783 5.455 1.00 0.00 H new ATOM 1336 N TYR A 86 5.097 -3.282 -1.944 1.00 0.00 N ATOM 1337 CA TYR A 86 6.134 -3.709 -2.821 1.00 0.00 C ATOM 1338 C TYR A 86 6.870 -4.842 -2.214 1.00 0.00 C ATOM 1339 O TYR A 86 7.508 -4.706 -1.164 1.00 0.00 O ATOM 1340 CB TYR A 86 7.065 -2.563 -3.180 1.00 0.00 C ATOM 1341 CG TYR A 86 6.351 -1.534 -3.972 1.00 0.00 C ATOM 1342 CD1 TYR A 86 6.221 -1.669 -5.330 1.00 0.00 C ATOM 1343 CD2 TYR A 86 5.735 -0.465 -3.352 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.480 -0.787 -6.051 1.00 0.00 C ATOM 1345 CE2 TYR A 86 5.011 0.431 -4.076 1.00 0.00 C ATOM 1346 CZ TYR A 86 4.881 0.253 -5.425 1.00 0.00 C ATOM 1347 OH TYR A 86 4.108 1.089 -6.149 1.00 0.00 O ATOM 0 H TYR A 86 5.410 -3.094 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 86 5.684 -4.050 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.466 -2.115 -2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.914 -2.942 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.714 -2.487 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.829 -0.339 -2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.370 -0.915 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.544 1.274 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 86 3.195 1.080 -5.794 1.00 0.00 H new ATOM 1357 N THR A 87 6.721 -5.962 -2.824 1.00 0.00 N ATOM 1358 CA THR A 87 7.371 -7.126 -2.432 1.00 0.00 C ATOM 1359 C THR A 87 8.729 -7.101 -3.074 1.00 0.00 C ATOM 1360 O THR A 87 8.855 -7.227 -4.293 1.00 0.00 O ATOM 1361 CB THR A 87 6.580 -8.342 -2.903 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.208 -8.205 -2.481 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.159 -9.602 -2.318 1.00 0.00 C ATOM 0 H THR A 87 6.118 -6.081 -3.638 1.00 0.00 H new ATOM 0 HA THR A 87 7.459 -7.187 -1.347 1.00 0.00 H new ATOM 0 HB THR A 87 6.633 -8.402 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.694 -8.983 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.584 -10.461 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.196 -9.708 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.117 -9.551 -1.230 1.00 0.00 H new ATOM 1371 N VAL A 88 9.706 -6.867 -2.282 1.00 0.00 N ATOM 1372 CA VAL A 88 11.047 -6.758 -2.738 1.00 0.00 C ATOM 1373 C VAL A 88 11.805 -8.004 -2.352 1.00 0.00 C ATOM 1374 O VAL A 88 11.597 -8.566 -1.281 1.00 0.00 O ATOM 1375 CB VAL A 88 11.742 -5.495 -2.163 1.00 0.00 C ATOM 1376 CG1 VAL A 88 11.144 -4.232 -2.749 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.604 -5.461 -0.666 1.00 0.00 C ATOM 0 H VAL A 88 9.598 -6.742 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 88 11.040 -6.656 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 88 12.797 -5.543 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.649 -3.362 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.270 -4.238 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.082 -4.187 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.096 -4.570 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.548 -5.439 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.068 -6.349 -0.238 1.00 0.00 H new ATOM 1387 N VAL A 89 12.642 -8.436 -3.223 1.00 0.00 N ATOM 1388 CA VAL A 89 13.388 -9.641 -3.046 1.00 0.00 C ATOM 1389 C VAL A 89 14.864 -9.320 -2.934 1.00 0.00 C ATOM 1390 O VAL A 89 15.404 -8.520 -3.703 1.00 0.00 O ATOM 1391 CB VAL A 89 13.111 -10.664 -4.203 1.00 0.00 C ATOM 1392 CG1 VAL A 89 13.557 -10.152 -5.574 1.00 0.00 C ATOM 1393 CG2 VAL A 89 13.693 -12.040 -3.904 1.00 0.00 C ATOM 0 H VAL A 89 12.836 -7.955 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 89 13.064 -10.116 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 89 12.027 -10.771 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.339 -10.904 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.022 -9.232 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.629 -9.954 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.477 -12.714 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.772 -11.958 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.247 -12.433 -2.990 1.00 0.00 H new ATOM 1403 N PHE A 90 15.492 -9.882 -1.958 1.00 0.00 N ATOM 1404 CA PHE A 90 16.898 -9.671 -1.763 1.00 0.00 C ATOM 1405 C PHE A 90 17.654 -10.666 -2.597 1.00 0.00 C ATOM 1406 O PHE A 90 17.084 -11.664 -3.044 1.00 0.00 O ATOM 1407 CB PHE A 90 17.292 -9.896 -0.308 1.00 0.00 C ATOM 1408 CG PHE A 90 16.555 -9.075 0.685 1.00 0.00 C ATOM 1409 CD1 PHE A 90 16.856 -7.743 0.862 1.00 0.00 C ATOM 1410 CD2 PHE A 90 15.567 -9.645 1.456 1.00 0.00 C ATOM 1411 CE1 PHE A 90 16.180 -6.995 1.796 1.00 0.00 C ATOM 1412 CE2 PHE A 90 14.894 -8.908 2.389 1.00 0.00 C ATOM 1413 CZ PHE A 90 15.201 -7.587 2.558 1.00 0.00 C ATOM 0 H PHE A 90 15.055 -10.498 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 90 17.132 -8.645 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 90 17.142 -10.948 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 90 18.358 -9.694 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 90 17.628 -7.283 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 90 15.321 -10.688 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.416 -5.950 1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.123 -9.367 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.670 -7.004 3.296 1.00 0.00 H new ATOM 1423 N ASP A 91 18.941 -10.437 -2.754 1.00 0.00 N ATOM 1424 CA ASP A 91 19.846 -11.376 -3.438 1.00 0.00 C ATOM 1425 C ASP A 91 19.907 -12.670 -2.629 1.00 0.00 C ATOM 1426 O ASP A 91 20.193 -13.755 -3.142 1.00 0.00 O ATOM 1427 CB ASP A 91 21.239 -10.747 -3.554 1.00 0.00 C ATOM 1428 CG ASP A 91 22.267 -11.651 -4.197 1.00 0.00 C ATOM 1429 OD1 ASP A 91 22.408 -11.620 -5.440 1.00 0.00 O ATOM 1430 OD2 ASP A 91 22.983 -12.367 -3.466 1.00 0.00 O ATOM 0 H ASP A 91 19.404 -9.594 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 91 19.481 -11.595 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 91 21.165 -9.827 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 91 21.586 -10.469 -2.559 1.00 0.00 H new ATOM 1435 N ASP A 92 19.562 -12.522 -1.358 1.00 0.00 N ATOM 1436 CA ASP A 92 19.449 -13.608 -0.399 1.00 0.00 C ATOM 1437 C ASP A 92 18.298 -14.567 -0.779 1.00 0.00 C ATOM 1438 O ASP A 92 18.248 -15.707 -0.325 1.00 0.00 O ATOM 1439 CB ASP A 92 19.201 -13.004 0.990 1.00 0.00 C ATOM 1440 CG ASP A 92 19.036 -14.031 2.071 1.00 0.00 C ATOM 1441 OD1 ASP A 92 20.053 -14.632 2.496 1.00 0.00 O ATOM 1442 OD2 ASP A 92 17.907 -14.242 2.531 1.00 0.00 O ATOM 0 H ASP A 92 19.346 -11.611 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 92 20.372 -14.188 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.034 -12.350 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.307 -12.382 0.952 1.00 0.00 H new ATOM 1447 N GLY A 93 17.405 -14.102 -1.641 1.00 0.00 N ATOM 1448 CA GLY A 93 16.326 -14.932 -2.123 1.00 0.00 C ATOM 1449 C GLY A 93 15.053 -14.761 -1.340 1.00 0.00 C ATOM 1450 O GLY A 93 14.056 -15.394 -1.638 1.00 0.00 O ATOM 0 H GLY A 93 17.412 -13.154 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.135 -14.697 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.633 -15.977 -2.081 1.00 0.00 H new ATOM 1454 N ASP A 94 15.080 -13.906 -0.353 1.00 0.00 N ATOM 1455 CA ASP A 94 13.918 -13.678 0.484 1.00 0.00 C ATOM 1456 C ASP A 94 13.178 -12.467 -0.008 1.00 0.00 C ATOM 1457 O ASP A 94 13.803 -11.510 -0.480 1.00 0.00 O ATOM 1458 CB ASP A 94 14.326 -13.487 1.938 1.00 0.00 C ATOM 1459 CG ASP A 94 13.144 -13.394 2.876 1.00 0.00 C ATOM 1460 OD1 ASP A 94 12.520 -14.448 3.178 1.00 0.00 O ATOM 1461 OD2 ASP A 94 12.838 -12.302 3.361 1.00 0.00 O ATOM 0 H ASP A 94 15.897 -13.349 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 94 13.268 -14.551 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.961 -14.319 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.924 -12.580 2.026 1.00 0.00 H new ATOM 1466 N GLU A 95 11.878 -12.497 0.084 1.00 0.00 N ATOM 1467 CA GLU A 95 11.063 -11.407 -0.373 1.00 0.00 C ATOM 1468 C GLU A 95 10.191 -10.861 0.757 1.00 0.00 C ATOM 1469 O GLU A 95 9.577 -11.619 1.509 1.00 0.00 O ATOM 1470 CB GLU A 95 10.227 -11.831 -1.581 1.00 0.00 C ATOM 1471 CG GLU A 95 9.353 -13.051 -1.339 1.00 0.00 C ATOM 1472 CD GLU A 95 8.437 -13.351 -2.490 1.00 0.00 C ATOM 1473 OE1 GLU A 95 8.872 -14.005 -3.461 1.00 0.00 O ATOM 1474 OE2 GLU A 95 7.258 -12.949 -2.444 1.00 0.00 O ATOM 0 H GLU A 95 11.354 -13.278 0.478 1.00 0.00 H new ATOM 0 HA GLU A 95 11.719 -10.597 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.592 -10.997 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.896 -12.037 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.989 -13.916 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.758 -12.893 -0.439 1.00 0.00 H new ATOM 1481 N ARG A 96 10.164 -9.562 0.894 1.00 0.00 N ATOM 1482 CA ARG A 96 9.392 -8.905 1.929 1.00 0.00 C ATOM 1483 C ARG A 96 8.557 -7.822 1.303 1.00 0.00 C ATOM 1484 O ARG A 96 8.999 -7.163 0.373 1.00 0.00 O ATOM 1485 CB ARG A 96 10.307 -8.318 3.019 1.00 0.00 C ATOM 1486 CG ARG A 96 11.134 -9.357 3.764 1.00 0.00 C ATOM 1487 CD ARG A 96 10.251 -10.333 4.534 1.00 0.00 C ATOM 1488 NE ARG A 96 11.033 -11.412 5.138 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.743 -12.029 6.293 1.00 0.00 C ATOM 1490 NH1 ARG A 96 9.604 -11.754 6.940 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.581 -12.950 6.777 1.00 0.00 N ATOM 0 H ARG A 96 10.678 -8.921 0.290 1.00 0.00 H new ATOM 0 HA ARG A 96 8.744 -9.639 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.981 -7.594 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.694 -7.774 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.752 -9.907 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.811 -8.856 4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.709 -9.796 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.505 -10.757 3.862 1.00 0.00 H new ATOM 0 HE ARG A 96 11.868 -11.720 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.951 -11.072 6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.389 -12.227 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.435 -13.180 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.367 -13.423 7.655 1.00 0.00 H new ATOM 1505 N THR A 97 7.364 -7.655 1.784 1.00 0.00 N ATOM 1506 CA THR A 97 6.461 -6.696 1.233 1.00 0.00 C ATOM 1507 C THR A 97 6.336 -5.477 2.146 1.00 0.00 C ATOM 1508 O THR A 97 5.806 -5.574 3.271 1.00 0.00 O ATOM 1509 CB THR A 97 5.098 -7.353 1.017 1.00 0.00 C ATOM 1510 OG1 THR A 97 5.273 -8.552 0.239 1.00 0.00 O ATOM 1511 CG2 THR A 97 4.182 -6.431 0.280 1.00 0.00 C ATOM 0 H THR A 97 6.989 -8.182 2.572 1.00 0.00 H new ATOM 0 HA THR A 97 6.849 -6.350 0.275 1.00 0.00 H new ATOM 0 HB THR A 97 4.662 -7.586 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.234 -8.331 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.217 -6.916 0.136 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.046 -5.516 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.614 -6.187 -0.690 1.00 0.00 H new ATOM 1519 N LEU A 98 6.846 -4.355 1.684 1.00 0.00 N ATOM 1520 CA LEU A 98 6.815 -3.124 2.460 1.00 0.00 C ATOM 1521 C LEU A 98 6.019 -2.079 1.712 1.00 0.00 C ATOM 1522 O LEU A 98 5.637 -2.298 0.564 1.00 0.00 O ATOM 1523 CB LEU A 98 8.229 -2.566 2.675 1.00 0.00 C ATOM 1524 CG LEU A 98 9.304 -3.523 3.181 1.00 0.00 C ATOM 1525 CD1 LEU A 98 10.571 -2.757 3.465 1.00 0.00 C ATOM 1526 CD2 LEU A 98 8.849 -4.280 4.411 1.00 0.00 C ATOM 0 H LEU A 98 7.290 -4.266 0.770 1.00 0.00 H new ATOM 0 HA LEU A 98 6.363 -3.351 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.571 -2.149 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.158 -1.739 3.381 1.00 0.00 H new ATOM 0 HG LEU A 98 9.496 -4.262 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.337 -3.443 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.917 -2.275 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.376 -1.999 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.643 -4.951 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.617 -3.574 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.959 -4.862 4.172 1.00 0.00 H new ATOM 1538 N ARG A 99 5.757 -0.961 2.359 1.00 0.00 N ATOM 1539 CA ARG A 99 5.112 0.168 1.708 1.00 0.00 C ATOM 1540 C ARG A 99 6.163 0.910 0.909 1.00 0.00 C ATOM 1541 O ARG A 99 7.366 0.768 1.184 1.00 0.00 O ATOM 1542 CB ARG A 99 4.540 1.169 2.721 1.00 0.00 C ATOM 1543 CG ARG A 99 3.412 0.699 3.622 1.00 0.00 C ATOM 1544 CD ARG A 99 2.993 1.866 4.506 1.00 0.00 C ATOM 1545 NE ARG A 99 1.910 1.559 5.455 1.00 0.00 N ATOM 1546 CZ ARG A 99 1.468 2.431 6.387 1.00 0.00 C ATOM 1547 NH1 ARG A 99 2.022 3.634 6.474 1.00 0.00 N ATOM 1548 NH2 ARG A 99 0.482 2.096 7.217 1.00 0.00 N ATOM 0 H ARG A 99 5.982 -0.807 3.342 1.00 0.00 H new ATOM 0 HA ARG A 99 4.300 -0.220 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.358 1.506 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.187 2.040 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.568 0.352 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.739 -0.143 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.862 2.211 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.677 2.692 3.869 1.00 0.00 H new ATOM 0 HE ARG A 99 1.471 0.640 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.777 3.895 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.693 4.297 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.053 1.173 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.156 2.762 7.917 1.00 0.00 H new ATOM 1562 N ARG A 100 5.725 1.740 -0.025 1.00 0.00 N ATOM 1563 CA ARG A 100 6.641 2.565 -0.837 1.00 0.00 C ATOM 1564 C ARG A 100 7.537 3.454 0.059 1.00 0.00 C ATOM 1565 O ARG A 100 8.670 3.754 -0.281 1.00 0.00 O ATOM 1566 CB ARG A 100 5.868 3.487 -1.801 1.00 0.00 C ATOM 1567 CG ARG A 100 5.015 4.523 -1.088 1.00 0.00 C ATOM 1568 CD ARG A 100 4.587 5.646 -1.996 1.00 0.00 C ATOM 1569 NE ARG A 100 3.905 6.693 -1.229 1.00 0.00 N ATOM 1570 CZ ARG A 100 4.131 8.013 -1.333 1.00 0.00 C ATOM 1571 NH1 ARG A 100 4.994 8.486 -2.222 1.00 0.00 N ATOM 1572 NH2 ARG A 100 3.476 8.850 -0.549 1.00 0.00 N ATOM 0 H ARG A 100 4.738 1.869 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 100 7.256 1.870 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.578 3.997 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.229 2.878 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.131 4.038 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.575 4.934 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.457 6.065 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.923 5.263 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 100 3.198 6.393 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.495 7.845 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.156 9.491 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.804 8.493 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.642 9.854 -0.622 1.00 0.00 H new ATOM 1586 N THR A 101 7.013 3.835 1.212 1.00 0.00 N ATOM 1587 CA THR A 101 7.665 4.730 2.131 1.00 0.00 C ATOM 1588 C THR A 101 8.702 4.022 3.008 1.00 0.00 C ATOM 1589 O THR A 101 9.389 4.644 3.806 1.00 0.00 O ATOM 1590 CB THR A 101 6.597 5.391 2.990 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.573 4.408 3.261 1.00 0.00 O ATOM 1592 CG2 THR A 101 5.983 6.592 2.276 1.00 0.00 C ATOM 0 H THR A 101 6.099 3.518 1.536 1.00 0.00 H new ATOM 0 HA THR A 101 8.214 5.477 1.558 1.00 0.00 H new ATOM 0 HB THR A 101 7.045 5.750 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.872 4.810 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.223 7.045 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.761 7.325 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.526 6.265 1.342 1.00 0.00 H new ATOM 1600 N SER A 102 8.817 2.731 2.852 1.00 0.00 N ATOM 1601 CA SER A 102 9.790 1.986 3.586 1.00 0.00 C ATOM 1602 C SER A 102 10.898 1.581 2.627 1.00 0.00 C ATOM 1603 O SER A 102 11.811 0.811 2.975 1.00 0.00 O ATOM 1604 CB SER A 102 9.131 0.767 4.232 1.00 0.00 C ATOM 1605 OG SER A 102 10.033 0.065 5.072 1.00 0.00 O ATOM 0 H SER A 102 8.243 2.175 2.218 1.00 0.00 H new ATOM 0 HA SER A 102 10.216 2.588 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.266 1.087 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.763 0.098 3.454 1.00 0.00 H new ATOM 0 HG SER A 102 10.919 0.042 4.654 1.00 0.00 H new ATOM 1611 N LEU A 103 10.830 2.148 1.448 1.00 0.00 N ATOM 1612 CA LEU A 103 11.725 1.867 0.378 1.00 0.00 C ATOM 1613 C LEU A 103 12.359 3.170 -0.005 1.00 0.00 C ATOM 1614 O LEU A 103 11.672 4.190 -0.104 1.00 0.00 O ATOM 1615 CB LEU A 103 10.954 1.303 -0.813 1.00 0.00 C ATOM 1616 CG LEU A 103 10.093 0.059 -0.559 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.420 -0.365 -1.829 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.905 -1.094 0.011 1.00 0.00 C ATOM 0 H LEU A 103 10.121 2.841 1.209 1.00 0.00 H new ATOM 0 HA LEU A 103 12.473 1.133 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.307 2.090 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.671 1.064 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 103 9.341 0.327 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.811 -1.249 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.785 0.443 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.175 -0.598 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.253 -1.952 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.694 -1.366 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.351 -0.792 0.959 1.00 0.00 H new ATOM 1630 N CYS A 104 13.630 3.170 -0.194 1.00 0.00 N ATOM 1631 CA CYS A 104 14.310 4.383 -0.457 1.00 0.00 C ATOM 1632 C CYS A 104 14.349 4.800 -1.916 1.00 0.00 C ATOM 1633 O CYS A 104 15.293 4.478 -2.664 1.00 0.00 O ATOM 1634 CB CYS A 104 15.690 4.409 0.154 1.00 0.00 C ATOM 1635 SG CYS A 104 16.581 5.925 -0.190 1.00 0.00 S ATOM 0 H CYS A 104 14.221 2.339 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 104 13.697 5.137 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 104 15.606 4.281 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.264 3.563 -0.224 1.00 0.00 H new ATOM 0 HG CYS A 104 16.539 6.173 -1.465 1.00 0.00 H new ATOM 1641 N LEU A 105 13.290 5.412 -2.328 1.00 0.00 N ATOM 1642 CA LEU A 105 13.271 6.188 -3.540 1.00 0.00 C ATOM 1643 C LEU A 105 13.017 7.620 -3.143 1.00 0.00 C ATOM 1644 O LEU A 105 13.901 8.481 -3.265 1.00 0.00 O ATOM 1645 CB LEU A 105 12.234 5.691 -4.558 1.00 0.00 C ATOM 1646 CG LEU A 105 12.571 4.376 -5.258 1.00 0.00 C ATOM 1647 CD1 LEU A 105 11.446 3.959 -6.178 1.00 0.00 C ATOM 1648 CD2 LEU A 105 13.870 4.504 -6.050 1.00 0.00 C ATOM 0 H LEU A 105 12.399 5.392 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 105 14.229 6.088 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.278 5.575 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.099 6.461 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 105 12.701 3.611 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.705 3.020 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.532 3.826 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.288 4.730 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.092 3.556 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.762 5.286 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.685 4.762 -5.373 1.00 0.00 H new ATOM 1660 N LYS A 106 11.845 7.855 -2.598 1.00 0.00 N ATOM 1661 CA LYS A 106 11.464 9.146 -2.091 1.00 0.00 C ATOM 1662 C LYS A 106 11.182 9.038 -0.596 1.00 0.00 C ATOM 1663 O LYS A 106 10.586 8.059 -0.137 1.00 0.00 O ATOM 1664 CB LYS A 106 10.239 9.691 -2.838 1.00 0.00 C ATOM 1665 CG LYS A 106 10.495 9.966 -4.312 1.00 0.00 C ATOM 1666 CD LYS A 106 9.252 10.469 -5.023 1.00 0.00 C ATOM 1667 CE LYS A 106 9.553 10.855 -6.466 1.00 0.00 C ATOM 1668 NZ LYS A 106 10.076 9.725 -7.262 1.00 0.00 N ATOM 0 H LYS A 106 11.122 7.142 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 106 12.284 9.846 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.421 8.976 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.911 10.613 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.292 10.704 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.844 9.054 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.483 9.697 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.851 11.331 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.644 11.233 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.279 11.668 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.136 10.003 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.023 9.466 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.438 8.909 -7.167 1.00 0.00 H new ATOM 1682 N GLY A 107 11.629 10.013 0.151 1.00 0.00 N ATOM 1683 CA GLY A 107 11.435 10.013 1.588 1.00 0.00 C ATOM 1684 C GLY A 107 12.421 10.940 2.236 1.00 0.00 C ATOM 1685 O GLY A 107 12.081 11.688 3.153 1.00 0.00 O ATOM 0 H GLY A 107 12.133 10.824 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.418 10.325 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.559 9.004 1.981 1.00 0.00 H new ATOM 1689 N GLU A 108 13.652 10.876 1.736 1.00 0.00 N ATOM 1690 CA GLU A 108 14.774 11.745 2.122 1.00 0.00 C ATOM 1691 C GLU A 108 15.275 11.545 3.555 1.00 0.00 C ATOM 1692 O GLU A 108 16.372 11.033 3.759 1.00 0.00 O ATOM 1693 CB GLU A 108 14.453 13.223 1.868 1.00 0.00 C ATOM 1694 CG GLU A 108 14.088 13.523 0.435 1.00 0.00 C ATOM 1695 CD GLU A 108 15.138 13.058 -0.526 1.00 0.00 C ATOM 1696 OE1 GLU A 108 16.149 13.774 -0.717 1.00 0.00 O ATOM 1697 OE2 GLU A 108 14.981 11.978 -1.112 1.00 0.00 O ATOM 0 H GLU A 108 13.911 10.194 1.024 1.00 0.00 H new ATOM 0 HA GLU A 108 15.595 11.437 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.629 13.524 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.316 13.827 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.140 13.042 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.940 14.596 0.317 1.00 0.00 H new ATOM 1704 N ARG A 109 14.460 11.929 4.517 1.00 0.00 N ATOM 1705 CA ARG A 109 14.810 11.941 5.945 1.00 0.00 C ATOM 1706 C ARG A 109 15.338 10.603 6.479 1.00 0.00 C ATOM 1707 O ARG A 109 14.567 9.690 6.808 1.00 0.00 O ATOM 1708 CB ARG A 109 13.643 12.474 6.789 1.00 0.00 C ATOM 1709 CG ARG A 109 12.306 11.821 6.490 1.00 0.00 C ATOM 1710 CD ARG A 109 11.193 12.422 7.318 1.00 0.00 C ATOM 1711 NE ARG A 109 9.892 11.915 6.889 1.00 0.00 N ATOM 1712 CZ ARG A 109 8.716 12.211 7.441 1.00 0.00 C ATOM 1713 NH1 ARG A 109 8.651 12.931 8.551 1.00 0.00 N ATOM 1714 NH2 ARG A 109 7.607 11.759 6.879 1.00 0.00 N ATOM 0 H ARG A 109 13.510 12.252 4.335 1.00 0.00 H new ATOM 0 HA ARG A 109 15.652 12.627 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 109 13.877 12.329 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 109 13.554 13.548 6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.074 11.935 5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 109 12.371 10.751 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.350 12.187 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.213 13.508 7.227 1.00 0.00 H new ATOM 0 HE ARG A 109 9.883 11.276 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.507 13.265 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.745 13.151 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.659 11.191 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.700 11.978 7.291 1.00 0.00 H new ATOM 1728 N HIS A 110 16.671 10.508 6.521 1.00 0.00 N ATOM 1729 CA HIS A 110 17.419 9.344 7.024 1.00 0.00 C ATOM 1730 C HIS A 110 17.350 8.164 6.026 1.00 0.00 C ATOM 1731 O HIS A 110 17.619 7.012 6.363 1.00 0.00 O ATOM 1732 CB HIS A 110 16.962 8.952 8.453 1.00 0.00 C ATOM 1733 CG HIS A 110 17.857 7.967 9.144 1.00 0.00 C ATOM 1734 ND1 HIS A 110 17.409 6.788 9.679 1.00 0.00 N ATOM 1735 CD2 HIS A 110 19.176 8.018 9.417 1.00 0.00 C ATOM 1736 CE1 HIS A 110 18.402 6.161 10.248 1.00 0.00 C ATOM 1737 NE2 HIS A 110 19.486 6.882 10.105 1.00 0.00 N ATOM 0 H HIS A 110 17.280 11.259 6.197 1.00 0.00 H new ATOM 0 HA HIS A 110 18.470 9.623 7.105 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.898 9.855 9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.957 8.534 8.397 1.00 0.00 H new ATOM 0 HD1 HIS A 110 16.447 6.452 9.639 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.858 8.809 9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 110 18.340 5.208 10.752 1.00 0.00 H new ATOM 1746 N PHE A 111 17.029 8.483 4.796 1.00 0.00 N ATOM 1747 CA PHE A 111 17.004 7.512 3.724 1.00 0.00 C ATOM 1748 C PHE A 111 18.214 7.742 2.827 1.00 0.00 C ATOM 1749 O PHE A 111 18.859 8.804 2.899 1.00 0.00 O ATOM 1750 CB PHE A 111 15.711 7.617 2.865 1.00 0.00 C ATOM 1751 CG PHE A 111 14.414 7.240 3.552 1.00 0.00 C ATOM 1752 CD1 PHE A 111 13.695 8.184 4.259 1.00 0.00 C ATOM 1753 CD2 PHE A 111 13.900 5.942 3.466 1.00 0.00 C ATOM 1754 CE1 PHE A 111 12.503 7.857 4.874 1.00 0.00 C ATOM 1755 CE2 PHE A 111 12.708 5.616 4.077 1.00 0.00 C ATOM 1756 CZ PHE A 111 12.009 6.575 4.782 1.00 0.00 C ATOM 0 H PHE A 111 16.776 9.428 4.507 1.00 0.00 H new ATOM 0 HA PHE A 111 17.026 6.518 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 111 15.622 8.642 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.831 6.981 1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 111 14.071 9.194 4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.442 5.188 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 111 11.958 8.607 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 111 12.321 4.610 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 111 11.075 6.320 5.261 1.00 0.00 H new ATOM 1766 N ALA A 112 18.503 6.748 2.004 1.00 0.00 N ATOM 1767 CA ALA A 112 19.563 6.756 0.986 1.00 0.00 C ATOM 1768 C ALA A 112 20.959 6.687 1.561 1.00 0.00 C ATOM 1769 O ALA A 112 21.623 5.637 1.485 1.00 0.00 O ATOM 1770 CB ALA A 112 19.422 7.933 0.007 1.00 0.00 C ATOM 0 H ALA A 112 17.986 5.869 2.021 1.00 0.00 H new ATOM 0 HA ALA A 112 19.420 5.834 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.228 7.895 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 112 18.462 7.867 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.476 8.872 0.557 1.00 0.00 H new ATOM 1776 N GLU A 113 21.389 7.753 2.163 1.00 0.00 N ATOM 1777 CA GLU A 113 22.730 7.844 2.616 1.00 0.00 C ATOM 1778 C GLU A 113 22.765 8.463 3.999 1.00 0.00 C ATOM 1779 O GLU A 113 21.848 9.214 4.371 1.00 0.00 O ATOM 1780 CB GLU A 113 23.567 8.651 1.596 1.00 0.00 C ATOM 1781 CG GLU A 113 25.064 8.649 1.861 1.00 0.00 C ATOM 1782 CD GLU A 113 25.619 7.248 1.962 1.00 0.00 C ATOM 1783 OE1 GLU A 113 25.525 6.647 3.055 1.00 0.00 O ATOM 1784 OE2 GLU A 113 26.169 6.727 0.971 1.00 0.00 O ATOM 0 H GLU A 113 20.818 8.577 2.350 1.00 0.00 H new ATOM 0 HA GLU A 113 23.168 6.849 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 113 23.388 8.248 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.214 9.682 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 113 25.575 9.184 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 113 25.269 9.188 2.786 1.00 0.00 H new ATOM 1791 N SER A 114 23.813 8.129 4.739 1.00 0.00 N ATOM 1792 CA SER A 114 24.046 8.573 6.099 1.00 0.00 C ATOM 1793 C SER A 114 23.106 7.844 7.076 1.00 0.00 C ATOM 1794 O SER A 114 21.901 8.129 7.173 1.00 0.00 O ATOM 1795 CB SER A 114 23.989 10.122 6.226 1.00 0.00 C ATOM 1796 OG SER A 114 24.335 10.564 7.534 1.00 0.00 O ATOM 0 H SER A 114 24.551 7.517 4.391 1.00 0.00 H new ATOM 0 HA SER A 114 25.064 8.301 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 114 24.668 10.570 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 114 22.985 10.469 5.980 1.00 0.00 H new ATOM 0 HG SER A 114 24.289 11.542 7.572 1.00 0.00 H new ATOM 1802 N GLU A 115 23.675 6.878 7.754 1.00 0.00 N ATOM 1803 CA GLU A 115 23.006 6.033 8.703 1.00 0.00 C ATOM 1804 C GLU A 115 24.160 5.525 9.557 1.00 0.00 C ATOM 1805 O GLU A 115 25.302 5.928 9.302 1.00 0.00 O ATOM 1806 CB GLU A 115 22.300 4.861 7.936 1.00 0.00 C ATOM 1807 CG GLU A 115 21.016 4.265 8.582 1.00 0.00 C ATOM 1808 CD GLU A 115 21.217 3.531 9.893 1.00 0.00 C ATOM 1809 OE1 GLU A 115 21.275 4.192 10.956 1.00 0.00 O ATOM 1810 OE2 GLU A 115 21.309 2.297 9.898 1.00 0.00 O ATOM 0 H GLU A 115 24.664 6.652 7.652 1.00 0.00 H new ATOM 0 HA GLU A 115 22.232 6.525 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 115 22.043 5.216 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 115 23.022 4.054 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.305 5.075 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.559 3.579 7.869 1.00 0.00 H new ATOM 1817 N THR A 116 23.892 4.707 10.530 1.00 0.00 N ATOM 1818 CA THR A 116 24.908 4.108 11.367 1.00 0.00 C ATOM 1819 C THR A 116 25.907 3.337 10.481 1.00 0.00 C ATOM 1820 O THR A 116 25.528 2.374 9.814 1.00 0.00 O ATOM 1821 CB THR A 116 24.231 3.130 12.341 1.00 0.00 C ATOM 1822 OG1 THR A 116 23.085 3.778 12.930 1.00 0.00 O ATOM 1823 CG2 THR A 116 25.188 2.712 13.445 1.00 0.00 C ATOM 0 H THR A 116 22.943 4.426 10.776 1.00 0.00 H new ATOM 0 HA THR A 116 25.438 4.881 11.924 1.00 0.00 H new ATOM 0 HB THR A 116 23.928 2.240 11.790 1.00 0.00 H new ATOM 0 HG1 THR A 116 22.352 3.800 12.280 1.00 0.00 H new ATOM 0 HG21 THR A 116 24.685 2.020 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 116 26.058 2.223 13.007 1.00 0.00 H new ATOM 0 HG23 THR A 116 25.509 3.593 14.001 1.00 0.00 H new ATOM 1831 N LEU A 117 27.147 3.805 10.431 1.00 0.00 N ATOM 1832 CA LEU A 117 28.159 3.169 9.599 1.00 0.00 C ATOM 1833 C LEU A 117 28.500 1.792 10.137 1.00 0.00 C ATOM 1834 O LEU A 117 28.359 0.782 9.428 1.00 0.00 O ATOM 1835 CB LEU A 117 29.441 4.033 9.466 1.00 0.00 C ATOM 1836 CG LEU A 117 29.335 5.389 8.716 1.00 0.00 C ATOM 1837 CD1 LEU A 117 28.712 5.223 7.339 1.00 0.00 C ATOM 1838 CD2 LEU A 117 28.601 6.452 9.530 1.00 0.00 C ATOM 0 H LEU A 117 27.475 4.618 10.953 1.00 0.00 H new ATOM 0 HA LEU A 117 27.736 3.067 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 117 29.812 4.236 10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 117 30.198 3.432 8.962 1.00 0.00 H new ATOM 0 HG LEU A 117 30.356 5.744 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 117 28.655 6.193 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 117 29.325 4.548 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 117 27.709 4.808 7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.555 7.380 8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.589 6.109 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 117 29.134 6.627 10.465 1.00 0.00 H new ATOM 1850 N ASP A 118 28.922 1.757 11.379 1.00 0.00 N ATOM 1851 CA ASP A 118 29.271 0.528 12.061 1.00 0.00 C ATOM 1852 C ASP A 118 29.450 0.840 13.522 1.00 0.00 C ATOM 1853 O ASP A 118 30.581 1.078 13.959 1.00 0.00 O ATOM 1854 CB ASP A 118 30.551 -0.107 11.474 1.00 0.00 C ATOM 1855 CG ASP A 118 30.940 -1.388 12.179 1.00 0.00 C ATOM 1856 OD1 ASP A 118 30.088 -2.290 12.311 1.00 0.00 O ATOM 1857 OD2 ASP A 118 32.112 -1.535 12.584 1.00 0.00 O ATOM 1858 OXT ASP A 118 28.450 0.976 14.226 1.00 0.00 O ATOM 0 H ASP A 118 29.035 2.592 11.954 1.00 0.00 H new ATOM 0 HA ASP A 118 28.472 -0.201 11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 118 30.398 -0.312 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 118 31.372 0.607 11.545 1.00 0.00 H new TER 1863 ASP A 118