USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 Single : A 31 THR OG1 : rot 15:sc= 0.423 USER MOD Single : A 35 SER OG : rot 36:sc= 0.799 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 24:sc= 0.496 USER MOD Single : A 42 GLN : amide:sc= 0.808 K(o=0.81,f=-6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -155:sc= -1.02 (180deg=-1.65) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 9:sc= 0.264 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 1.09 (180deg=0.0197) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 176:sc= 1.39 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.061) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.146 X(o=0.15,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -121:sc= -1.55 (180deg=-2.26) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot -35:sc=0.000357 USER MOD Single : B 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0049) USER MOD Single : B 64 TYR OH : rot -15:sc= -0.004 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -9.890 12.411 -13.701 1.00 0.00 N ATOM 2 CA THR A 31 -8.632 11.646 -13.604 1.00 0.00 C ATOM 3 C THR A 31 -7.951 11.840 -12.237 1.00 0.00 C ATOM 4 O THR A 31 -8.055 12.905 -11.622 1.00 0.00 O ATOM 5 CB THR A 31 -7.629 12.078 -14.697 1.00 0.00 C ATOM 6 OG1 THR A 31 -8.286 12.493 -15.881 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.656 10.962 -15.081 1.00 0.00 C ATOM 0 HA THR A 31 -8.903 10.598 -13.734 1.00 0.00 H new ATOM 0 HB THR A 31 -7.076 12.908 -14.257 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.235 12.647 -15.692 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.975 11.322 -15.852 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.084 10.661 -14.204 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.215 10.107 -15.461 1.00 0.00 H new ATOM 15 N ARG A 32 -7.200 10.836 -11.780 1.00 0.00 N ATOM 16 CA ARG A 32 -6.442 10.826 -10.521 1.00 0.00 C ATOM 17 C ARG A 32 -4.948 10.554 -10.773 1.00 0.00 C ATOM 18 O ARG A 32 -4.533 9.411 -10.973 1.00 0.00 O ATOM 19 CB ARG A 32 -7.040 9.794 -9.543 1.00 0.00 C ATOM 20 CG ARG A 32 -8.516 10.026 -9.180 1.00 0.00 C ATOM 21 CD ARG A 32 -8.767 11.386 -8.520 1.00 0.00 C ATOM 22 NE ARG A 32 -10.193 11.545 -8.209 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.750 12.446 -7.421 1.00 0.00 C ATOM 24 NH1 ARG A 32 -10.058 13.381 -6.826 1.00 0.00 N ATOM 25 NH2 ARG A 32 -12.035 12.423 -7.214 1.00 0.00 N ATOM 0 H ARG A 32 -7.097 9.965 -12.300 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.521 11.813 -10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.940 8.801 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.450 9.800 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.122 9.950 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.847 9.236 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.177 11.469 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.441 12.186 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.828 10.882 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.049 13.434 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.527 14.058 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.611 11.709 -7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.466 13.119 -6.605 1.00 0.00 H new ATOM 39 N ALA A 33 -4.142 11.618 -10.765 1.00 0.00 N ATOM 40 CA ALA A 33 -2.678 11.545 -10.734 1.00 0.00 C ATOM 41 C ALA A 33 -2.177 10.854 -9.444 1.00 0.00 C ATOM 42 O ALA A 33 -2.545 11.260 -8.337 1.00 0.00 O ATOM 43 CB ALA A 33 -2.124 12.968 -10.845 1.00 0.00 C ATOM 0 H ALA A 33 -4.495 12.575 -10.780 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.324 10.943 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.035 12.937 -10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.456 13.416 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.486 13.566 -10.009 1.00 0.00 H new ATOM 49 N VAL A 34 -1.355 9.808 -9.575 1.00 0.00 N ATOM 50 CA VAL A 34 -0.945 8.892 -8.504 1.00 0.00 C ATOM 51 C VAL A 34 0.461 8.372 -8.775 1.00 0.00 C ATOM 52 O VAL A 34 0.718 7.695 -9.765 1.00 0.00 O ATOM 53 CB VAL A 34 -1.934 7.717 -8.348 1.00 0.00 C ATOM 54 CG1 VAL A 34 -1.456 6.710 -7.302 1.00 0.00 C ATOM 55 CG2 VAL A 34 -3.316 8.185 -7.868 1.00 0.00 C ATOM 0 H VAL A 34 -0.937 9.565 -10.473 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.948 9.448 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.993 7.267 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.179 5.898 -7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.489 6.306 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.359 7.207 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.979 7.325 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.218 8.676 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.734 8.886 -8.590 1.00 0.00 H new ATOM 65 N SER A 35 1.373 8.718 -7.879 1.00 0.00 N ATOM 66 CA SER A 35 2.817 8.517 -8.015 1.00 0.00 C ATOM 67 C SER A 35 3.483 7.908 -6.773 1.00 0.00 C ATOM 68 O SER A 35 3.108 8.195 -5.631 1.00 0.00 O ATOM 69 CB SER A 35 3.455 9.863 -8.374 1.00 0.00 C ATOM 70 OG SER A 35 4.863 9.783 -8.515 1.00 0.00 O ATOM 0 H SER A 35 1.121 9.166 -6.998 1.00 0.00 H new ATOM 0 HA SER A 35 2.978 7.784 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.021 10.229 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.213 10.592 -7.601 1.00 0.00 H new ATOM 0 HG SER A 35 5.103 8.924 -8.920 1.00 0.00 H new ATOM 76 N LEU A 36 4.472 7.045 -7.019 1.00 0.00 N ATOM 77 CA LEU A 36 5.180 6.234 -6.071 1.00 0.00 C ATOM 78 C LEU A 36 6.660 6.021 -6.454 1.00 0.00 C ATOM 79 O LEU A 36 7.173 6.520 -7.459 1.00 0.00 O ATOM 80 CB LEU A 36 4.414 4.913 -5.919 1.00 0.00 C ATOM 81 CG LEU A 36 3.983 4.082 -7.147 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.653 2.672 -6.657 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.736 4.591 -7.878 1.00 0.00 C ATOM 0 H LEU A 36 4.813 6.896 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 36 5.220 6.748 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.027 4.262 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.509 5.135 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 36 4.812 4.139 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.344 2.056 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.535 2.233 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.844 2.720 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.518 3.939 -8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.888 4.593 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.914 5.604 -8.238 1.00 0.00 H new ATOM 95 N TYR A 37 7.327 5.259 -5.595 1.00 0.00 N ATOM 96 CA TYR A 37 8.782 5.145 -5.476 1.00 0.00 C ATOM 97 C TYR A 37 9.169 3.672 -5.283 1.00 0.00 C ATOM 98 O TYR A 37 9.067 3.118 -4.187 1.00 0.00 O ATOM 99 CB TYR A 37 9.252 6.047 -4.323 1.00 0.00 C ATOM 100 CG TYR A 37 9.051 7.525 -4.611 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.013 8.227 -5.363 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.881 8.186 -4.184 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.809 9.581 -5.683 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.672 9.536 -4.521 1.00 0.00 C ATOM 105 CZ TYR A 37 8.636 10.235 -5.266 1.00 0.00 C ATOM 106 OH TYR A 37 8.426 11.544 -5.580 1.00 0.00 O ATOM 0 H TYR A 37 6.841 4.668 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 37 9.281 5.482 -6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.709 5.781 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.308 5.860 -4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.909 7.724 -5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.145 7.656 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.554 10.119 -6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.768 10.036 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 37 7.565 11.834 -5.213 1.00 0.00 H new ATOM 116 N PHE A 38 9.503 3.019 -6.396 1.00 0.00 N ATOM 117 CA PHE A 38 9.827 1.595 -6.508 1.00 0.00 C ATOM 118 C PHE A 38 11.195 1.232 -5.880 1.00 0.00 C ATOM 119 O PHE A 38 11.791 2.026 -5.149 1.00 0.00 O ATOM 120 CB PHE A 38 9.694 1.230 -8.002 1.00 0.00 C ATOM 121 CG PHE A 38 8.360 0.586 -8.331 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.194 1.374 -8.387 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.271 -0.803 -8.550 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.957 0.783 -8.695 1.00 0.00 C ATOM 125 CE2 PHE A 38 7.025 -1.397 -8.828 1.00 0.00 C ATOM 126 CZ PHE A 38 5.870 -0.602 -8.911 1.00 0.00 C ATOM 0 H PHE A 38 9.558 3.496 -7.296 1.00 0.00 H new ATOM 0 HA PHE A 38 9.133 0.991 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.816 2.130 -8.604 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.499 0.550 -8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.251 2.435 -8.193 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.161 -1.414 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.070 1.396 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.957 -2.464 -8.977 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.917 -1.055 -9.140 1.00 0.00 H new ATOM 136 N SER A 39 11.713 0.035 -6.161 1.00 0.00 N ATOM 137 CA SER A 39 13.150 -0.248 -6.093 1.00 0.00 C ATOM 138 C SER A 39 13.587 -1.132 -7.263 1.00 0.00 C ATOM 139 O SER A 39 12.746 -1.725 -7.947 1.00 0.00 O ATOM 140 CB SER A 39 13.530 -0.837 -4.725 1.00 0.00 C ATOM 141 OG SER A 39 13.599 0.181 -3.740 1.00 0.00 O ATOM 0 H SER A 39 11.149 -0.767 -6.442 1.00 0.00 H new ATOM 0 HA SER A 39 13.696 0.690 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.795 -1.586 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.492 -1.345 -4.797 1.00 0.00 H new ATOM 0 HG SER A 39 13.042 0.940 -4.014 1.00 0.00 H new ATOM 147 N ASP A 40 14.896 -1.136 -7.546 1.00 0.00 N ATOM 148 CA ASP A 40 15.476 -1.641 -8.799 1.00 0.00 C ATOM 149 C ASP A 40 14.971 -3.032 -9.184 1.00 0.00 C ATOM 150 O ASP A 40 14.464 -3.204 -10.286 1.00 0.00 O ATOM 151 CB ASP A 40 17.013 -1.619 -8.716 1.00 0.00 C ATOM 152 CG ASP A 40 17.597 -0.205 -8.905 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.811 0.203 -10.071 1.00 0.00 O ATOM 154 OD2 ASP A 40 17.838 0.490 -7.888 1.00 0.00 O ATOM 0 H ASP A 40 15.597 -0.781 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 40 15.144 -0.972 -9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.326 -2.011 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.424 -2.282 -9.477 1.00 0.00 H new ATOM 159 N GLU A 41 15.026 -3.996 -8.261 1.00 0.00 N ATOM 160 CA GLU A 41 14.579 -5.386 -8.489 1.00 0.00 C ATOM 161 C GLU A 41 13.103 -5.472 -8.867 1.00 0.00 C ATOM 162 O GLU A 41 12.746 -6.099 -9.863 1.00 0.00 O ATOM 163 CB GLU A 41 14.798 -6.239 -7.234 1.00 0.00 C ATOM 164 CG GLU A 41 16.258 -6.311 -6.792 1.00 0.00 C ATOM 165 CD GLU A 41 16.922 -7.589 -7.288 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.458 -7.585 -8.418 1.00 0.00 O ATOM 167 OE2 GLU A 41 16.921 -8.589 -6.536 1.00 0.00 O ATOM 0 H GLU A 41 15.386 -3.838 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 41 15.177 -5.762 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.200 -5.832 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.434 -7.249 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.799 -5.445 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.314 -6.268 -5.704 1.00 0.00 H new ATOM 174 N GLN A 42 12.251 -4.795 -8.097 1.00 0.00 N ATOM 175 CA GLN A 42 10.798 -4.744 -8.303 1.00 0.00 C ATOM 176 C GLN A 42 10.429 -4.075 -9.637 1.00 0.00 C ATOM 177 O GLN A 42 9.543 -4.551 -10.350 1.00 0.00 O ATOM 178 CB GLN A 42 10.109 -4.012 -7.138 1.00 0.00 C ATOM 179 CG GLN A 42 10.309 -4.686 -5.767 1.00 0.00 C ATOM 180 CD GLN A 42 11.503 -4.179 -4.975 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.537 -3.802 -5.506 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.392 -4.144 -3.665 1.00 0.00 N ATOM 0 H GLN A 42 12.558 -4.251 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 42 10.443 -5.774 -8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.489 -2.992 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.041 -3.945 -7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.408 -4.540 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.421 -5.760 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.531 -4.458 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.167 -3.803 -3.096 1.00 0.00 H new ATOM 191 N TYR A 43 11.140 -3.007 -10.014 1.00 0.00 N ATOM 192 CA TYR A 43 10.953 -2.327 -11.299 1.00 0.00 C ATOM 193 C TYR A 43 11.412 -3.182 -12.478 1.00 0.00 C ATOM 194 O TYR A 43 10.682 -3.385 -13.444 1.00 0.00 O ATOM 195 CB TYR A 43 11.756 -1.027 -11.323 1.00 0.00 C ATOM 196 CG TYR A 43 11.240 -0.060 -12.372 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.028 0.624 -12.160 1.00 0.00 C ATOM 198 CD2 TYR A 43 11.929 0.103 -13.590 1.00 0.00 C ATOM 199 CE1 TYR A 43 9.520 1.476 -13.159 1.00 0.00 C ATOM 200 CE2 TYR A 43 11.425 0.968 -14.580 1.00 0.00 C ATOM 201 CZ TYR A 43 10.224 1.662 -14.358 1.00 0.00 C ATOM 202 OH TYR A 43 9.741 2.526 -15.293 1.00 0.00 O ATOM 0 H TYR A 43 11.866 -2.588 -9.432 1.00 0.00 H new ATOM 0 HA TYR A 43 9.885 -2.133 -11.399 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.711 -0.555 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.804 -1.252 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.489 0.495 -11.233 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.847 -0.438 -13.765 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.583 1.989 -13.001 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.961 1.098 -15.509 1.00 0.00 H new ATOM 0 HH TYR A 43 10.344 2.543 -16.065 1.00 0.00 H new ATOM 212 N GLN A 44 12.623 -3.721 -12.360 1.00 0.00 N ATOM 213 CA GLN A 44 13.278 -4.546 -13.386 1.00 0.00 C ATOM 214 C GLN A 44 12.492 -5.823 -13.696 1.00 0.00 C ATOM 215 O GLN A 44 12.427 -6.225 -14.854 1.00 0.00 O ATOM 216 CB GLN A 44 14.726 -4.924 -13.020 1.00 0.00 C ATOM 217 CG GLN A 44 15.796 -3.998 -13.618 1.00 0.00 C ATOM 218 CD GLN A 44 15.841 -2.609 -13.011 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.000 -1.762 -13.271 1.00 0.00 O ATOM 220 NE2 GLN A 44 16.866 -2.310 -12.239 1.00 0.00 N ATOM 0 H GLN A 44 13.197 -3.595 -11.526 1.00 0.00 H new ATOM 0 HA GLN A 44 13.301 -3.917 -14.276 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.826 -4.920 -11.935 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.918 -5.944 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.773 -4.466 -13.494 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.620 -3.906 -14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.566 -3.020 -12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.959 -1.369 -11.857 1.00 0.00 H new ATOM 229 N LYS A 45 11.841 -6.438 -12.707 1.00 0.00 N ATOM 230 CA LYS A 45 10.921 -7.552 -12.958 1.00 0.00 C ATOM 231 C LYS A 45 9.739 -7.114 -13.844 1.00 0.00 C ATOM 232 O LYS A 45 9.387 -7.828 -14.785 1.00 0.00 O ATOM 233 CB LYS A 45 10.453 -8.195 -11.639 1.00 0.00 C ATOM 234 CG LYS A 45 10.504 -9.736 -11.663 1.00 0.00 C ATOM 235 CD LYS A 45 9.564 -10.399 -12.690 1.00 0.00 C ATOM 236 CE LYS A 45 9.616 -11.934 -12.639 1.00 0.00 C ATOM 237 NZ LYS A 45 10.844 -12.484 -13.256 1.00 0.00 N ATOM 0 H LYS A 45 11.933 -6.184 -11.723 1.00 0.00 H new ATOM 0 HA LYS A 45 11.464 -8.318 -13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.077 -7.830 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.433 -7.875 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.527 -10.048 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.255 -10.109 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.542 -10.068 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.833 -10.064 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.558 -12.261 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.744 -12.340 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.828 -13.522 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.889 -12.197 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.678 -12.120 -12.753 1.00 0.00 H new ATOM 251 N LEU A 46 9.174 -5.919 -13.618 1.00 0.00 N ATOM 252 CA LEU A 46 8.123 -5.411 -14.506 1.00 0.00 C ATOM 253 C LEU A 46 8.650 -4.950 -15.875 1.00 0.00 C ATOM 254 O LEU A 46 7.999 -5.177 -16.891 1.00 0.00 O ATOM 255 CB LEU A 46 7.231 -4.360 -13.799 1.00 0.00 C ATOM 256 CG LEU A 46 5.852 -4.990 -13.549 1.00 0.00 C ATOM 257 CD1 LEU A 46 4.872 -4.192 -12.680 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.090 -5.197 -14.858 1.00 0.00 C ATOM 0 H LEU A 46 9.421 -5.300 -12.846 1.00 0.00 H new ATOM 0 HA LEU A 46 7.475 -6.257 -14.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.683 -4.050 -12.857 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.134 -3.467 -14.416 1.00 0.00 H new ATOM 0 HG LEU A 46 6.129 -5.906 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.939 -4.746 -12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.306 -4.035 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.674 -3.227 -13.147 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.119 -5.644 -14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.947 -4.236 -15.352 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.660 -5.859 -15.510 1.00 0.00 H new ATOM 270 N GLU A 47 9.863 -4.401 -15.935 1.00 0.00 N ATOM 271 CA GLU A 47 10.560 -4.035 -17.186 1.00 0.00 C ATOM 272 C GLU A 47 10.905 -5.233 -18.066 1.00 0.00 C ATOM 273 O GLU A 47 10.687 -5.196 -19.277 1.00 0.00 O ATOM 274 CB GLU A 47 11.816 -3.206 -16.885 1.00 0.00 C ATOM 275 CG GLU A 47 12.298 -2.449 -18.117 1.00 0.00 C ATOM 276 CD GLU A 47 13.605 -1.728 -17.816 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.669 -2.385 -17.864 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.568 -0.504 -17.561 1.00 0.00 O ATOM 0 H GLU A 47 10.409 -4.190 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 47 9.856 -3.430 -17.758 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.602 -2.499 -16.083 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.609 -3.863 -16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.440 -3.142 -18.946 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.541 -1.729 -18.429 1.00 0.00 H new ATOM 285 N LYS A 48 11.366 -6.329 -17.466 1.00 0.00 N ATOM 286 CA LYS A 48 11.661 -7.568 -18.185 1.00 0.00 C ATOM 287 C LYS A 48 10.391 -8.237 -18.748 1.00 0.00 C ATOM 288 O LYS A 48 10.425 -8.814 -19.838 1.00 0.00 O ATOM 289 CB LYS A 48 12.464 -8.527 -17.292 1.00 0.00 C ATOM 290 CG LYS A 48 13.928 -8.068 -17.176 1.00 0.00 C ATOM 291 CD LYS A 48 14.751 -9.005 -16.282 1.00 0.00 C ATOM 292 CE LYS A 48 16.213 -8.541 -16.244 1.00 0.00 C ATOM 293 NZ LYS A 48 17.069 -9.454 -15.457 1.00 0.00 N ATOM 0 H LYS A 48 11.546 -6.383 -16.464 1.00 0.00 H new ATOM 0 HA LYS A 48 12.275 -7.311 -19.048 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.013 -8.572 -16.301 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.426 -9.535 -17.706 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.376 -8.027 -18.169 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.961 -7.057 -16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.338 -9.015 -15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.694 -10.026 -16.660 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.597 -8.473 -17.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.263 -7.540 -15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.047 -9.101 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.720 -9.500 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.043 -10.404 -15.879 1.00 0.00 H new ATOM 307 N MET A 49 9.249 -8.105 -18.065 1.00 0.00 N ATOM 308 CA MET A 49 7.943 -8.506 -18.560 1.00 0.00 C ATOM 309 C MET A 49 7.355 -7.533 -19.594 1.00 0.00 C ATOM 310 O MET A 49 6.700 -7.964 -20.539 1.00 0.00 O ATOM 311 CB MET A 49 7.008 -8.560 -17.361 1.00 0.00 C ATOM 312 CG MET A 49 7.189 -9.826 -16.523 1.00 0.00 C ATOM 313 SD MET A 49 5.784 -10.175 -15.440 1.00 0.00 S ATOM 314 CE MET A 49 5.691 -8.603 -14.550 1.00 0.00 C ATOM 0 H MET A 49 9.215 -7.704 -17.128 1.00 0.00 H new ATOM 0 HA MET A 49 8.051 -9.468 -19.062 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.180 -7.686 -16.732 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.976 -8.504 -17.708 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.345 -10.675 -17.189 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.090 -9.726 -15.917 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.218 -8.761 -13.581 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.696 -8.208 -14.403 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.103 -7.891 -15.129 1.00 0.00 H new ATOM 324 N ALA A 50 7.608 -6.229 -19.462 1.00 0.00 N ATOM 325 CA ALA A 50 7.082 -5.201 -20.361 1.00 0.00 C ATOM 326 C ALA A 50 7.513 -5.391 -21.821 1.00 0.00 C ATOM 327 O ALA A 50 6.747 -5.079 -22.727 1.00 0.00 O ATOM 328 CB ALA A 50 7.462 -3.815 -19.841 1.00 0.00 C ATOM 0 H ALA A 50 8.193 -5.853 -18.716 1.00 0.00 H new ATOM 0 HA ALA A 50 5.996 -5.299 -20.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.068 -3.053 -20.514 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.042 -3.672 -18.845 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.548 -3.730 -19.792 1.00 0.00 H new ATOM 334 N ASN A 51 8.681 -5.982 -22.070 1.00 0.00 N ATOM 335 CA ASN A 51 9.120 -6.389 -23.407 1.00 0.00 C ATOM 336 C ASN A 51 8.153 -7.386 -24.107 1.00 0.00 C ATOM 337 O ASN A 51 8.099 -7.431 -25.336 1.00 0.00 O ATOM 338 CB ASN A 51 10.543 -6.940 -23.275 1.00 0.00 C ATOM 339 CG ASN A 51 11.158 -7.309 -24.617 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.329 -6.473 -25.496 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.519 -8.563 -24.811 1.00 0.00 N ATOM 0 H ASN A 51 9.360 -6.195 -21.339 1.00 0.00 H new ATOM 0 HA ASN A 51 9.111 -5.521 -24.066 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.172 -6.197 -22.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.529 -7.820 -22.632 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.943 -8.841 -25.696 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.374 -9.255 -24.076 1.00 0.00 H new ATOM 348 N GLU A 52 7.340 -8.136 -23.346 1.00 0.00 N ATOM 349 CA GLU A 52 6.253 -9.001 -23.850 1.00 0.00 C ATOM 350 C GLU A 52 5.043 -8.214 -24.382 1.00 0.00 C ATOM 351 O GLU A 52 4.402 -8.638 -25.342 1.00 0.00 O ATOM 352 CB GLU A 52 5.791 -9.981 -22.757 1.00 0.00 C ATOM 353 CG GLU A 52 5.100 -11.241 -23.278 1.00 0.00 C ATOM 354 CD GLU A 52 6.084 -12.167 -23.986 1.00 0.00 C ATOM 355 OE1 GLU A 52 6.851 -12.868 -23.287 1.00 0.00 O ATOM 356 OE2 GLU A 52 6.066 -12.219 -25.236 1.00 0.00 O ATOM 0 H GLU A 52 7.421 -8.160 -22.330 1.00 0.00 H new ATOM 0 HA GLU A 52 6.672 -9.551 -24.693 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.657 -10.277 -22.164 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.108 -9.460 -22.086 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.633 -11.771 -22.448 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.302 -10.961 -23.966 1.00 0.00 H new ATOM 363 N GLU A 53 4.768 -7.034 -23.804 1.00 0.00 N ATOM 364 CA GLU A 53 3.834 -6.005 -24.310 1.00 0.00 C ATOM 365 C GLU A 53 4.485 -5.032 -25.312 1.00 0.00 C ATOM 366 O GLU A 53 3.798 -4.199 -25.904 1.00 0.00 O ATOM 367 CB GLU A 53 3.245 -5.210 -23.129 1.00 0.00 C ATOM 368 CG GLU A 53 1.957 -5.853 -22.597 1.00 0.00 C ATOM 369 CD GLU A 53 1.242 -5.007 -21.539 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.430 -3.771 -21.494 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.429 -5.591 -20.785 1.00 0.00 O ATOM 0 H GLU A 53 5.210 -6.754 -22.929 1.00 0.00 H new ATOM 0 HA GLU A 53 3.047 -6.534 -24.847 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.981 -5.152 -22.327 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.037 -4.188 -23.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.277 -6.028 -23.431 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.196 -6.827 -22.171 1.00 0.00 H new ATOM 378 N GLU A 54 5.802 -5.165 -25.522 1.00 0.00 N ATOM 379 CA GLU A 54 6.678 -4.383 -26.428 1.00 0.00 C ATOM 380 C GLU A 54 7.105 -3.024 -25.844 1.00 0.00 C ATOM 381 O GLU A 54 7.137 -2.001 -26.527 1.00 0.00 O ATOM 382 CB GLU A 54 6.109 -4.307 -27.861 1.00 0.00 C ATOM 383 CG GLU A 54 7.222 -4.208 -28.900 1.00 0.00 C ATOM 384 CD GLU A 54 6.623 -4.075 -30.294 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.362 -5.119 -30.934 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.429 -2.927 -30.757 1.00 0.00 O ATOM 0 H GLU A 54 6.333 -5.880 -25.025 1.00 0.00 H new ATOM 0 HA GLU A 54 7.613 -4.938 -26.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.502 -5.190 -28.060 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.451 -3.442 -27.947 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.857 -3.348 -28.684 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.856 -5.093 -28.851 1.00 0.00 H new ATOM 393 N GLU A 55 7.440 -3.045 -24.547 1.00 0.00 N ATOM 394 CA GLU A 55 7.829 -1.918 -23.664 1.00 0.00 C ATOM 395 C GLU A 55 6.702 -0.908 -23.428 1.00 0.00 C ATOM 396 O GLU A 55 6.389 -0.059 -24.263 1.00 0.00 O ATOM 397 CB GLU A 55 9.141 -1.257 -24.113 1.00 0.00 C ATOM 398 CG GLU A 55 9.878 -0.493 -23.010 1.00 0.00 C ATOM 399 CD GLU A 55 9.214 0.836 -22.675 1.00 0.00 C ATOM 400 OE1 GLU A 55 9.489 1.834 -23.379 1.00 0.00 O ATOM 401 OE2 GLU A 55 8.446 0.877 -21.689 1.00 0.00 O ATOM 0 H GLU A 55 7.449 -3.927 -24.035 1.00 0.00 H new ATOM 0 HA GLU A 55 8.021 -2.358 -22.686 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.804 -2.027 -24.509 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.925 -0.570 -24.931 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.921 -1.110 -22.112 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.906 -0.313 -23.323 1.00 0.00 H new ATOM 408 N SER A 56 6.071 -1.049 -22.265 1.00 0.00 N ATOM 409 CA SER A 56 4.957 -0.221 -21.768 1.00 0.00 C ATOM 410 C SER A 56 4.897 -0.176 -20.220 1.00 0.00 C ATOM 411 O SER A 56 3.814 -0.216 -19.636 1.00 0.00 O ATOM 412 CB SER A 56 3.629 -0.747 -22.357 1.00 0.00 C ATOM 413 OG SER A 56 3.534 -0.514 -23.753 1.00 0.00 O ATOM 0 H SER A 56 6.331 -1.780 -21.603 1.00 0.00 H new ATOM 0 HA SER A 56 5.125 0.804 -22.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.545 -1.816 -22.162 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.793 -0.264 -21.852 1.00 0.00 H new ATOM 0 HG SER A 56 4.397 -0.195 -24.091 1.00 0.00 H new ATOM 419 N VAL A 57 6.042 -0.164 -19.517 1.00 0.00 N ATOM 420 CA VAL A 57 6.128 -0.417 -18.049 1.00 0.00 C ATOM 421 C VAL A 57 5.112 0.325 -17.174 1.00 0.00 C ATOM 422 O VAL A 57 4.472 -0.303 -16.335 1.00 0.00 O ATOM 423 CB VAL A 57 7.524 -0.156 -17.433 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.416 -1.388 -17.509 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.282 1.005 -18.081 1.00 0.00 C ATOM 0 H VAL A 57 6.948 0.022 -19.946 1.00 0.00 H new ATOM 0 HA VAL A 57 5.894 -1.481 -18.030 1.00 0.00 H new ATOM 0 HB VAL A 57 7.311 0.105 -16.396 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.386 -1.163 -17.066 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.950 -2.209 -16.964 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.551 -1.676 -18.552 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.250 1.124 -17.594 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.432 0.796 -19.140 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.705 1.923 -17.971 1.00 0.00 H new ATOM 435 N GLY A 58 4.906 1.629 -17.375 1.00 0.00 N ATOM 436 CA GLY A 58 3.952 2.415 -16.574 1.00 0.00 C ATOM 437 C GLY A 58 2.517 1.898 -16.707 1.00 0.00 C ATOM 438 O GLY A 58 1.817 1.672 -15.720 1.00 0.00 O ATOM 0 H GLY A 58 5.390 2.171 -18.091 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.251 2.386 -15.526 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.991 3.458 -16.888 1.00 0.00 H new ATOM 442 N SER A 59 2.116 1.590 -17.936 1.00 0.00 N ATOM 443 CA SER A 59 0.826 0.990 -18.247 1.00 0.00 C ATOM 444 C SER A 59 0.730 -0.450 -17.742 1.00 0.00 C ATOM 445 O SER A 59 -0.312 -0.852 -17.236 1.00 0.00 O ATOM 446 CB SER A 59 0.637 0.975 -19.762 1.00 0.00 C ATOM 447 OG SER A 59 0.776 2.265 -20.341 1.00 0.00 O ATOM 0 H SER A 59 2.693 1.755 -18.761 1.00 0.00 H new ATOM 0 HA SER A 59 0.057 1.584 -17.754 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.366 0.299 -20.209 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.351 0.579 -19.998 1.00 0.00 H new ATOM 0 HG SER A 59 0.648 2.204 -21.311 1.00 0.00 H new ATOM 453 N TYR A 60 1.818 -1.220 -17.826 1.00 0.00 N ATOM 454 CA TYR A 60 1.879 -2.598 -17.331 1.00 0.00 C ATOM 455 C TYR A 60 1.671 -2.651 -15.806 1.00 0.00 C ATOM 456 O TYR A 60 0.843 -3.416 -15.320 1.00 0.00 O ATOM 457 CB TYR A 60 3.217 -3.226 -17.748 1.00 0.00 C ATOM 458 CG TYR A 60 3.195 -4.729 -17.988 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.759 -5.625 -16.992 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.652 -5.244 -19.216 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.815 -7.013 -17.209 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.701 -6.634 -19.436 1.00 0.00 C ATOM 463 CZ TYR A 60 3.284 -7.520 -18.429 1.00 0.00 C ATOM 464 OH TYR A 60 3.335 -8.867 -18.630 1.00 0.00 O ATOM 0 H TYR A 60 2.692 -0.900 -18.245 1.00 0.00 H new ATOM 0 HA TYR A 60 1.069 -3.177 -17.775 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.559 -2.736 -18.660 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.955 -3.011 -16.975 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.379 -5.243 -16.056 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.968 -4.567 -19.996 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.495 -7.692 -16.432 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.059 -7.019 -20.379 1.00 0.00 H new ATOM 0 HH TYR A 60 3.683 -9.051 -19.528 1.00 0.00 H new ATOM 474 N ILE A 61 2.341 -1.761 -15.063 1.00 0.00 N ATOM 475 CA ILE A 61 2.150 -1.568 -13.605 1.00 0.00 C ATOM 476 C ILE A 61 0.679 -1.255 -13.328 1.00 0.00 C ATOM 477 O ILE A 61 0.021 -1.941 -12.543 1.00 0.00 O ATOM 478 CB ILE A 61 3.052 -0.414 -13.063 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.564 -0.733 -13.106 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.686 -0.015 -11.616 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.463 0.507 -13.035 1.00 0.00 C ATOM 0 H ILE A 61 3.046 -1.139 -15.458 1.00 0.00 H new ATOM 0 HA ILE A 61 2.438 -2.485 -13.092 1.00 0.00 H new ATOM 0 HB ILE A 61 2.854 0.416 -13.742 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.809 -1.395 -12.276 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.784 -1.277 -14.024 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.341 0.791 -11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.650 0.322 -11.583 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.809 -0.876 -10.959 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.509 0.201 -13.070 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.248 1.161 -13.880 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.273 1.041 -12.104 1.00 0.00 H new ATOM 493 N LYS A 62 0.146 -0.245 -14.017 1.00 0.00 N ATOM 494 CA LYS A 62 -1.215 0.224 -13.796 1.00 0.00 C ATOM 495 C LYS A 62 -2.244 -0.878 -14.100 1.00 0.00 C ATOM 496 O LYS A 62 -3.101 -1.153 -13.271 1.00 0.00 O ATOM 497 CB LYS A 62 -1.398 1.508 -14.632 1.00 0.00 C ATOM 498 CG LYS A 62 -2.535 2.460 -14.235 1.00 0.00 C ATOM 499 CD LYS A 62 -3.935 1.955 -14.618 1.00 0.00 C ATOM 500 CE LYS A 62 -4.988 3.074 -14.548 1.00 0.00 C ATOM 501 NZ LYS A 62 -4.969 3.945 -15.747 1.00 0.00 N ATOM 0 H LYS A 62 0.648 0.268 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.388 0.467 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.463 2.068 -14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.554 1.214 -15.670 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.500 2.622 -13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.367 3.428 -14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.909 1.544 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.223 1.143 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.978 2.631 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.811 3.680 -13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.003 4.942 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.097 3.773 -16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.794 3.732 -16.344 1.00 0.00 H new ATOM 515 N ARG A 63 -2.097 -1.584 -15.222 1.00 0.00 N ATOM 516 CA ARG A 63 -2.895 -2.739 -15.657 1.00 0.00 C ATOM 517 C ARG A 63 -2.880 -3.896 -14.645 1.00 0.00 C ATOM 518 O ARG A 63 -3.910 -4.528 -14.421 1.00 0.00 O ATOM 519 CB ARG A 63 -2.379 -3.223 -17.030 1.00 0.00 C ATOM 520 CG ARG A 63 -3.209 -4.370 -17.632 1.00 0.00 C ATOM 521 CD ARG A 63 -2.621 -4.874 -18.958 1.00 0.00 C ATOM 522 NE ARG A 63 -3.486 -5.920 -19.534 1.00 0.00 N ATOM 523 CZ ARG A 63 -3.138 -6.908 -20.342 1.00 0.00 C ATOM 524 NH1 ARG A 63 -1.926 -7.080 -20.789 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.036 -7.774 -20.727 1.00 0.00 N ATOM 0 H ARG A 63 -1.370 -1.351 -15.898 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.932 -2.411 -15.733 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.378 -2.383 -17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.345 -3.551 -16.925 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.257 -5.194 -16.921 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.232 -4.030 -17.795 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.524 -4.045 -19.659 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.619 -5.271 -18.793 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.473 -5.877 -19.278 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.186 -6.433 -20.517 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.718 -7.862 -21.410 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.000 -7.687 -20.405 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.774 -8.538 -21.350 1.00 0.00 H new ATOM 539 N TYR A 64 -1.744 -4.178 -14.007 1.00 0.00 N ATOM 540 CA TYR A 64 -1.585 -5.345 -13.122 1.00 0.00 C ATOM 541 C TYR A 64 -2.410 -5.228 -11.831 1.00 0.00 C ATOM 542 O TYR A 64 -2.975 -6.197 -11.327 1.00 0.00 O ATOM 543 CB TYR A 64 -0.096 -5.578 -12.810 1.00 0.00 C ATOM 544 CG TYR A 64 0.344 -7.026 -13.011 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.469 -8.104 -12.592 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.535 -7.303 -13.706 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.140 -9.425 -12.948 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.872 -8.628 -14.044 1.00 0.00 C ATOM 549 CZ TYR A 64 1.012 -9.682 -13.704 1.00 0.00 C ATOM 550 OH TYR A 64 1.284 -10.953 -14.111 1.00 0.00 O ATOM 0 H TYR A 64 -0.903 -3.606 -14.086 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.975 -6.211 -13.656 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.507 -4.931 -13.447 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.102 -5.285 -11.779 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.348 -7.912 -11.995 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.195 -6.494 -13.982 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.776 -10.241 -12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.795 -8.833 -14.566 1.00 0.00 H new ATOM 0 HH TYR A 64 2.118 -10.960 -14.626 1.00 0.00 H new ATOM 560 N ILE A 65 -2.571 -3.994 -11.368 1.00 0.00 N ATOM 561 CA ILE A 65 -3.516 -3.618 -10.311 1.00 0.00 C ATOM 562 C ILE A 65 -4.946 -3.975 -10.740 1.00 0.00 C ATOM 563 O ILE A 65 -5.684 -4.598 -9.985 1.00 0.00 O ATOM 564 CB ILE A 65 -3.368 -2.115 -9.979 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.027 -1.752 -9.311 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.532 -1.583 -9.138 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.816 -2.352 -7.917 1.00 0.00 C ATOM 0 H ILE A 65 -2.036 -3.202 -11.724 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.294 -4.177 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.386 -1.622 -10.951 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.215 -2.081 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.957 -0.667 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.378 -0.523 -8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.466 -1.715 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.581 -2.131 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.846 -2.040 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.603 -2.003 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.849 -3.440 -7.980 1.00 0.00 H new ATOM 579 N LEU A 66 -5.330 -3.659 -11.979 1.00 0.00 N ATOM 580 CA LEU A 66 -6.693 -3.889 -12.486 1.00 0.00 C ATOM 581 C LEU A 66 -6.950 -5.390 -12.701 1.00 0.00 C ATOM 582 O LEU A 66 -8.021 -5.913 -12.388 1.00 0.00 O ATOM 583 CB LEU A 66 -6.930 -3.107 -13.797 1.00 0.00 C ATOM 584 CG LEU A 66 -6.195 -1.768 -13.903 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.423 -1.076 -15.231 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.526 -0.772 -12.795 1.00 0.00 C ATOM 0 H LEU A 66 -4.705 -3.235 -12.665 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.396 -3.525 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.628 -3.735 -14.635 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.999 -2.925 -13.904 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.149 -2.058 -13.802 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.878 -0.132 -15.248 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.068 -1.715 -16.040 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.488 -0.882 -15.362 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.960 0.147 -12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.593 -0.549 -12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.262 -1.202 -11.829 1.00 0.00 H new ATOM 598 N LYS A 67 -5.917 -6.093 -13.172 1.00 0.00 N ATOM 599 CA LYS A 67 -5.900 -7.543 -13.334 1.00 0.00 C ATOM 600 C LYS A 67 -6.107 -8.268 -11.992 1.00 0.00 C ATOM 601 O LYS A 67 -6.850 -9.248 -11.915 1.00 0.00 O ATOM 602 CB LYS A 67 -4.577 -7.931 -14.015 1.00 0.00 C ATOM 603 CG LYS A 67 -4.511 -9.422 -14.377 1.00 0.00 C ATOM 604 CD LYS A 67 -3.276 -9.713 -15.249 1.00 0.00 C ATOM 605 CE LYS A 67 -3.068 -11.209 -15.532 1.00 0.00 C ATOM 606 NZ LYS A 67 -4.090 -11.774 -16.443 1.00 0.00 N ATOM 0 H LYS A 67 -5.043 -5.652 -13.459 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.732 -7.858 -13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.451 -7.336 -14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.747 -7.685 -13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.470 -10.021 -13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.416 -9.713 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.376 -9.182 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.389 -9.318 -14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.080 -11.357 -15.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.086 -11.757 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.898 -12.785 -16.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.033 -11.661 -16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.058 -11.273 -17.354 1.00 0.00 H new ATOM 620 N ALA A 68 -5.498 -7.750 -10.922 1.00 0.00 N ATOM 621 CA ALA A 68 -5.686 -8.258 -9.563 1.00 0.00 C ATOM 622 C ALA A 68 -7.035 -7.840 -8.926 1.00 0.00 C ATOM 623 O ALA A 68 -7.690 -8.651 -8.271 1.00 0.00 O ATOM 624 CB ALA A 68 -4.491 -7.803 -8.721 1.00 0.00 C ATOM 0 H ALA A 68 -4.855 -6.960 -10.976 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.732 -9.346 -9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.605 -8.168 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.571 -8.202 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.445 -6.714 -8.713 1.00 0.00 H new ATOM 630 N LEU A 69 -7.514 -6.609 -9.159 1.00 0.00 N ATOM 631 CA LEU A 69 -8.719 -6.028 -8.565 1.00 0.00 C ATOM 632 C LEU A 69 -10.013 -6.747 -8.974 1.00 0.00 C ATOM 633 O LEU A 69 -10.975 -6.783 -8.204 1.00 0.00 O ATOM 634 CB LEU A 69 -8.775 -4.550 -8.974 1.00 0.00 C ATOM 635 CG LEU A 69 -8.013 -3.573 -8.062 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.056 -2.164 -8.645 1.00 0.00 C ATOM 637 CD2 LEU A 69 -8.613 -3.494 -6.668 1.00 0.00 C ATOM 0 H LEU A 69 -7.047 -5.964 -9.797 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.655 -6.141 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.379 -4.457 -9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.820 -4.242 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.993 -3.951 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.513 -1.483 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.593 -2.164 -9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.092 -1.837 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.039 -2.791 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.647 -3.154 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.585 -4.480 -6.203 1.00 0.00 H new ATOM 649 N ARG A 70 -10.017 -7.374 -10.152 1.00 0.00 N ATOM 650 CA ARG A 70 -11.086 -8.279 -10.583 1.00 0.00 C ATOM 651 C ARG A 70 -11.313 -9.483 -9.637 1.00 0.00 C ATOM 652 O ARG A 70 -12.394 -10.076 -9.643 1.00 0.00 O ATOM 653 CB ARG A 70 -10.837 -8.774 -12.022 1.00 0.00 C ATOM 654 CG ARG A 70 -11.376 -7.786 -13.070 1.00 0.00 C ATOM 655 CD ARG A 70 -11.424 -8.405 -14.473 1.00 0.00 C ATOM 656 NE ARG A 70 -10.085 -8.541 -15.074 1.00 0.00 N ATOM 657 CZ ARG A 70 -9.729 -9.391 -16.024 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.530 -10.319 -16.473 1.00 0.00 N ATOM 659 NH2 ARG A 70 -8.542 -9.319 -16.559 1.00 0.00 N ATOM 0 H ARG A 70 -9.272 -7.267 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.001 -7.687 -10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.768 -8.919 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.313 -9.745 -12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.376 -7.462 -12.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.746 -6.897 -13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.896 -9.386 -14.418 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.048 -7.787 -15.119 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.359 -7.917 -14.722 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.471 -10.409 -16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.215 -10.954 -17.207 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.884 -8.606 -16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.272 -9.976 -17.291 1.00 0.00 H new ATOM 673 N LYS A 71 -10.306 -9.853 -8.837 1.00 0.00 N ATOM 674 CA LYS A 71 -10.293 -11.060 -7.999 1.00 0.00 C ATOM 675 C LYS A 71 -9.337 -10.947 -6.784 1.00 0.00 C ATOM 676 O LYS A 71 -8.476 -11.803 -6.566 1.00 0.00 O ATOM 677 CB LYS A 71 -10.039 -12.301 -8.885 1.00 0.00 C ATOM 678 CG LYS A 71 -8.768 -12.242 -9.751 1.00 0.00 C ATOM 679 CD LYS A 71 -8.642 -13.526 -10.588 1.00 0.00 C ATOM 680 CE LYS A 71 -7.429 -13.514 -11.529 1.00 0.00 C ATOM 681 NZ LYS A 71 -6.143 -13.630 -10.805 1.00 0.00 N ATOM 0 H LYS A 71 -9.451 -9.304 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.275 -11.176 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.981 -13.180 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.899 -12.441 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.805 -11.372 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.890 -12.125 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.567 -14.383 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.550 -13.660 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.517 -14.336 -12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.433 -12.591 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.358 -13.617 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.042 -12.832 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.124 -14.523 -10.272 1.00 0.00 H new ATOM 695 N ILE A 72 -9.476 -9.874 -5.987 1.00 0.00 N ATOM 696 CA ILE A 72 -8.716 -9.653 -4.737 1.00 0.00 C ATOM 697 C ILE A 72 -8.687 -10.897 -3.808 1.00 0.00 C ATOM 698 O ILE A 72 -7.639 -11.229 -3.242 1.00 0.00 O ATOM 699 CB ILE A 72 -9.285 -8.425 -3.980 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.537 -7.221 -4.922 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.360 -8.050 -2.804 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.681 -5.850 -4.248 1.00 0.00 C ATOM 0 H ILE A 72 -10.131 -9.120 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.683 -9.463 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.259 -8.702 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.715 -7.167 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.444 -7.418 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.770 -7.186 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.288 -8.892 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.368 -7.806 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.854 -5.088 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.523 -5.871 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.768 -5.616 -3.700 1.00 0.00 H new ATOM 714 N GLU A 73 -9.824 -11.600 -3.680 1.00 0.00 N ATOM 715 CA GLU A 73 -10.003 -12.860 -2.937 1.00 0.00 C ATOM 716 C GLU A 73 -9.861 -14.082 -3.850 1.00 0.00 C ATOM 717 O GLU A 73 -10.609 -14.178 -4.848 1.00 0.00 O ATOM 718 CB GLU A 73 -11.381 -12.887 -2.264 1.00 0.00 C ATOM 719 CG GLU A 73 -11.486 -11.886 -1.113 1.00 0.00 C ATOM 720 CD GLU A 73 -12.837 -12.023 -0.424 1.00 0.00 C ATOM 721 OE1 GLU A 73 -13.798 -11.346 -0.855 1.00 0.00 O ATOM 722 OE2 GLU A 73 -12.932 -12.801 0.551 1.00 0.00 O ATOM 0 H GLU A 73 -10.692 -11.288 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.220 -12.905 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.149 -12.666 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.580 -13.891 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.684 -12.059 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.363 -10.871 -1.491 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 15.864 6.402 -6.258 1.00 0.00 N ATOM 731 CA THR B 31 15.102 5.313 -6.886 1.00 0.00 C ATOM 732 C THR B 31 14.357 5.740 -8.161 1.00 0.00 C ATOM 733 O THR B 31 14.420 6.895 -8.595 1.00 0.00 O ATOM 734 CB THR B 31 14.114 4.707 -5.876 1.00 0.00 C ATOM 735 OG1 THR B 31 13.761 3.418 -6.313 1.00 0.00 O ATOM 736 CG2 THR B 31 12.845 5.522 -5.612 1.00 0.00 C ATOM 0 HA THR B 31 15.833 4.564 -7.192 1.00 0.00 H new ATOM 0 HB THR B 31 14.639 4.695 -4.921 1.00 0.00 H new ATOM 0 HG1 THR B 31 13.178 2.995 -5.648 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.222 5.001 -4.885 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.117 6.502 -5.220 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.291 5.644 -6.543 1.00 0.00 H new ATOM 744 N ARG B 32 13.635 4.799 -8.765 1.00 0.00 N ATOM 745 CA ARG B 32 12.833 4.966 -9.966 1.00 0.00 C ATOM 746 C ARG B 32 11.480 5.634 -9.662 1.00 0.00 C ATOM 747 O ARG B 32 10.636 5.079 -8.950 1.00 0.00 O ATOM 748 CB ARG B 32 12.642 3.582 -10.610 1.00 0.00 C ATOM 749 CG ARG B 32 12.448 3.640 -12.130 1.00 0.00 C ATOM 750 CD ARG B 32 13.747 3.971 -12.878 1.00 0.00 C ATOM 751 NE ARG B 32 13.932 5.415 -13.109 1.00 0.00 N ATOM 752 CZ ARG B 32 15.053 6.013 -13.484 1.00 0.00 C ATOM 753 NH1 ARG B 32 16.166 5.355 -13.671 1.00 0.00 N ATOM 754 NH2 ARG B 32 15.081 7.302 -13.681 1.00 0.00 N ATOM 0 H ARG B 32 13.594 3.845 -8.405 1.00 0.00 H new ATOM 0 HA ARG B 32 13.350 5.630 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG B 32 13.510 2.962 -10.385 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.777 3.096 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG B 32 12.065 2.682 -12.481 1.00 0.00 H new ATOM 0 HG3 ARG B 32 11.694 4.391 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.594 3.589 -12.308 1.00 0.00 H new ATOM 0 HD3 ARG B 32 13.749 3.453 -13.837 1.00 0.00 H new ATOM 0 HE ARG B 32 13.117 6.012 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG B 32 16.192 4.345 -13.528 1.00 0.00 H new ATOM 0 HH12 ARG B 32 17.009 5.851 -13.960 1.00 0.00 H new ATOM 0 HH21 ARG B 32 14.236 7.857 -13.546 1.00 0.00 H new ATOM 0 HH22 ARG B 32 15.948 7.755 -13.970 1.00 0.00 H new ATOM 768 N ALA B 33 11.268 6.821 -10.227 1.00 0.00 N ATOM 769 CA ALA B 33 9.978 7.481 -10.300 1.00 0.00 C ATOM 770 C ALA B 33 8.966 6.636 -11.095 1.00 0.00 C ATOM 771 O ALA B 33 9.259 6.089 -12.161 1.00 0.00 O ATOM 772 CB ALA B 33 10.176 8.853 -10.953 1.00 0.00 C ATOM 0 H ALA B 33 12.017 7.362 -10.659 1.00 0.00 H new ATOM 0 HA ALA B 33 9.572 7.603 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.217 9.367 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.866 9.446 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.587 8.724 -11.954 1.00 0.00 H new ATOM 778 N VAL B 34 7.754 6.594 -10.563 1.00 0.00 N ATOM 779 CA VAL B 34 6.546 5.978 -11.122 1.00 0.00 C ATOM 780 C VAL B 34 5.384 6.912 -10.851 1.00 0.00 C ATOM 781 O VAL B 34 5.057 7.185 -9.706 1.00 0.00 O ATOM 782 CB VAL B 34 6.285 4.565 -10.561 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.943 3.988 -11.040 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.381 3.606 -11.035 1.00 0.00 C ATOM 0 H VAL B 34 7.568 7.022 -9.656 1.00 0.00 H new ATOM 0 HA VAL B 34 6.677 5.838 -12.195 1.00 0.00 H new ATOM 0 HB VAL B 34 6.272 4.659 -9.475 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.804 2.992 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.131 4.637 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.942 3.925 -12.128 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.191 2.610 -10.635 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.383 3.566 -12.124 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.350 3.959 -10.683 1.00 0.00 H new ATOM 794 N SER B 35 4.788 7.428 -11.913 1.00 0.00 N ATOM 795 CA SER B 35 3.642 8.347 -11.893 1.00 0.00 C ATOM 796 C SER B 35 2.590 7.933 -12.929 1.00 0.00 C ATOM 797 O SER B 35 2.907 7.713 -14.101 1.00 0.00 O ATOM 798 CB SER B 35 4.109 9.781 -12.139 1.00 0.00 C ATOM 799 OG SER B 35 3.023 10.687 -12.029 1.00 0.00 O ATOM 0 H SER B 35 5.098 7.213 -12.861 1.00 0.00 H new ATOM 0 HA SER B 35 3.179 8.297 -10.908 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.884 10.045 -11.419 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.555 9.859 -13.131 1.00 0.00 H new ATOM 0 HG SER B 35 3.341 11.600 -12.188 1.00 0.00 H new ATOM 805 N LEU B 36 1.346 7.776 -12.474 1.00 0.00 N ATOM 806 CA LEU B 36 0.252 7.093 -13.172 1.00 0.00 C ATOM 807 C LEU B 36 -1.063 7.888 -13.057 1.00 0.00 C ATOM 808 O LEU B 36 -1.171 8.832 -12.273 1.00 0.00 O ATOM 809 CB LEU B 36 0.085 5.677 -12.571 1.00 0.00 C ATOM 810 CG LEU B 36 1.329 4.769 -12.628 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.051 3.459 -11.896 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.735 4.433 -14.060 1.00 0.00 C ATOM 0 H LEU B 36 1.059 8.139 -11.565 1.00 0.00 H new ATOM 0 HA LEU B 36 0.495 7.018 -14.232 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.218 5.779 -11.529 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.730 5.176 -13.093 1.00 0.00 H new ATOM 0 HG LEU B 36 2.142 5.319 -12.154 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.935 2.823 -11.941 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.807 3.669 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.212 2.949 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.616 3.791 -14.047 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.916 3.915 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.964 5.353 -14.599 1.00 0.00 H new ATOM 824 N TYR B 37 -2.074 7.476 -13.826 1.00 0.00 N ATOM 825 CA TYR B 37 -3.358 8.172 -13.978 1.00 0.00 C ATOM 826 C TYR B 37 -4.543 7.204 -13.830 1.00 0.00 C ATOM 827 O TYR B 37 -5.055 6.645 -14.803 1.00 0.00 O ATOM 828 CB TYR B 37 -3.366 8.951 -15.302 1.00 0.00 C ATOM 829 CG TYR B 37 -2.423 10.142 -15.291 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.844 11.364 -14.731 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.111 10.022 -15.794 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.966 12.461 -14.687 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.229 11.117 -15.734 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.657 12.337 -15.182 1.00 0.00 C ATOM 835 OH TYR B 37 0.190 13.404 -15.125 1.00 0.00 O ATOM 0 H TYR B 37 -2.021 6.621 -14.379 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.478 8.897 -13.173 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.087 8.280 -16.114 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.379 9.297 -15.508 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.844 11.458 -14.334 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.783 9.088 -16.226 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.298 13.401 -14.272 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.778 11.020 -16.112 1.00 0.00 H new ATOM 0 HH TYR B 37 1.057 13.154 -15.507 1.00 0.00 H new ATOM 845 N PHE B 38 -4.930 6.946 -12.583 1.00 0.00 N ATOM 846 CA PHE B 38 -6.135 6.221 -12.201 1.00 0.00 C ATOM 847 C PHE B 38 -7.423 7.040 -12.455 1.00 0.00 C ATOM 848 O PHE B 38 -7.378 8.212 -12.838 1.00 0.00 O ATOM 849 CB PHE B 38 -5.986 5.883 -10.706 1.00 0.00 C ATOM 850 CG PHE B 38 -5.233 4.603 -10.391 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.693 3.362 -10.879 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.116 4.636 -9.537 1.00 0.00 C ATOM 853 CE1 PHE B 38 -5.046 2.168 -10.506 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.467 3.445 -9.176 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.922 2.214 -9.668 1.00 0.00 C ATOM 0 H PHE B 38 -4.386 7.251 -11.776 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.237 5.321 -12.808 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.477 6.712 -10.214 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.981 5.814 -10.267 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.545 3.327 -11.542 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.756 5.581 -9.158 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.415 1.218 -10.865 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.613 3.477 -8.516 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.408 1.302 -9.402 1.00 0.00 H new ATOM 865 N SER B 39 -8.573 6.437 -12.152 1.00 0.00 N ATOM 866 CA SER B 39 -9.863 7.121 -12.012 1.00 0.00 C ATOM 867 C SER B 39 -10.625 6.592 -10.790 1.00 0.00 C ATOM 868 O SER B 39 -10.264 5.550 -10.232 1.00 0.00 O ATOM 869 CB SER B 39 -10.709 6.968 -13.288 1.00 0.00 C ATOM 870 OG SER B 39 -10.022 7.412 -14.450 1.00 0.00 O ATOM 0 H SER B 39 -8.637 5.432 -11.992 1.00 0.00 H new ATOM 0 HA SER B 39 -9.668 8.183 -11.862 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.989 5.922 -13.412 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.634 7.534 -13.178 1.00 0.00 H new ATOM 0 HG SER B 39 -10.597 7.294 -15.235 1.00 0.00 H new ATOM 876 N ASP B 40 -11.657 7.322 -10.355 1.00 0.00 N ATOM 877 CA ASP B 40 -12.323 7.157 -9.052 1.00 0.00 C ATOM 878 C ASP B 40 -12.707 5.721 -8.681 1.00 0.00 C ATOM 879 O ASP B 40 -12.536 5.352 -7.525 1.00 0.00 O ATOM 880 CB ASP B 40 -13.544 8.095 -8.967 1.00 0.00 C ATOM 881 CG ASP B 40 -13.166 9.566 -8.700 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.295 10.116 -9.408 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.719 10.185 -7.761 1.00 0.00 O ATOM 0 H ASP B 40 -12.067 8.069 -10.916 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.575 7.432 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.105 8.035 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.206 7.747 -8.174 1.00 0.00 H new ATOM 888 N GLU B 41 -13.176 4.888 -9.616 1.00 0.00 N ATOM 889 CA GLU B 41 -13.524 3.473 -9.337 1.00 0.00 C ATOM 890 C GLU B 41 -12.313 2.653 -8.899 1.00 0.00 C ATOM 891 O GLU B 41 -12.331 2.021 -7.846 1.00 0.00 O ATOM 892 CB GLU B 41 -14.131 2.781 -10.564 1.00 0.00 C ATOM 893 CG GLU B 41 -15.382 3.483 -11.095 1.00 0.00 C ATOM 894 CD GLU B 41 -16.648 2.801 -10.591 1.00 0.00 C ATOM 895 OE1 GLU B 41 -17.130 3.168 -9.495 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.166 1.910 -11.301 1.00 0.00 O ATOM 0 H GLU B 41 -13.328 5.165 -10.586 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.253 3.513 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.383 2.738 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.382 1.752 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.378 4.527 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.371 3.477 -12.185 1.00 0.00 H new ATOM 903 N GLN B 42 -11.238 2.725 -9.686 1.00 0.00 N ATOM 904 CA GLN B 42 -9.949 2.056 -9.436 1.00 0.00 C ATOM 905 C GLN B 42 -9.255 2.607 -8.181 1.00 0.00 C ATOM 906 O GLN B 42 -8.703 1.844 -7.388 1.00 0.00 O ATOM 907 CB GLN B 42 -9.034 2.190 -10.661 1.00 0.00 C ATOM 908 CG GLN B 42 -9.677 1.735 -11.985 1.00 0.00 C ATOM 909 CD GLN B 42 -10.449 0.430 -11.891 1.00 0.00 C ATOM 910 OE1 GLN B 42 -11.638 0.374 -12.175 1.00 0.00 O ATOM 911 NE2 GLN B 42 -9.814 -0.650 -11.491 1.00 0.00 N ATOM 0 H GLN B 42 -11.236 3.270 -10.548 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.152 1.000 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.727 3.231 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.130 1.606 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -10.350 2.517 -12.336 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -8.895 1.627 -12.737 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -8.823 -0.601 -11.255 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -10.313 -1.537 -11.417 1.00 0.00 H new ATOM 920 N TYR B 43 -9.348 3.922 -7.959 1.00 0.00 N ATOM 921 CA TYR B 43 -8.830 4.591 -6.765 1.00 0.00 C ATOM 922 C TYR B 43 -9.573 4.133 -5.497 1.00 0.00 C ATOM 923 O TYR B 43 -8.950 3.767 -4.502 1.00 0.00 O ATOM 924 CB TYR B 43 -8.946 6.110 -6.969 1.00 0.00 C ATOM 925 CG TYR B 43 -8.166 6.943 -5.970 1.00 0.00 C ATOM 926 CD1 TYR B 43 -8.692 7.199 -4.687 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.911 7.473 -6.327 1.00 0.00 C ATOM 928 CE1 TYR B 43 -7.959 7.969 -3.765 1.00 0.00 C ATOM 929 CE2 TYR B 43 -6.188 8.253 -5.405 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.706 8.494 -4.124 1.00 0.00 C ATOM 931 OH TYR B 43 -5.993 9.244 -3.237 1.00 0.00 O ATOM 0 H TYR B 43 -9.794 4.561 -8.617 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.783 4.323 -6.622 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.602 6.356 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.998 6.391 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -9.659 6.804 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -6.503 7.281 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -8.360 8.157 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -5.231 8.667 -5.685 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.150 9.525 -3.650 1.00 0.00 H new ATOM 941 N GLN B 44 -10.908 4.083 -5.547 1.00 0.00 N ATOM 942 CA GLN B 44 -11.767 3.689 -4.420 1.00 0.00 C ATOM 943 C GLN B 44 -11.674 2.201 -4.077 1.00 0.00 C ATOM 944 O GLN B 44 -11.633 1.843 -2.903 1.00 0.00 O ATOM 945 CB GLN B 44 -13.233 4.022 -4.705 1.00 0.00 C ATOM 946 CG GLN B 44 -13.527 5.512 -4.498 1.00 0.00 C ATOM 947 CD GLN B 44 -14.924 5.858 -4.961 1.00 0.00 C ATOM 948 OE1 GLN B 44 -15.830 6.090 -4.171 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.133 5.886 -6.258 1.00 0.00 N ATOM 0 H GLN B 44 -11.435 4.320 -6.388 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.400 4.260 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.477 3.742 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.874 3.430 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.416 5.765 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.800 6.110 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.367 5.690 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.061 6.104 -6.620 1.00 0.00 H new ATOM 958 N LYS B 45 -11.590 1.326 -5.077 1.00 0.00 N ATOM 959 CA LYS B 45 -11.304 -0.094 -4.888 1.00 0.00 C ATOM 960 C LYS B 45 -9.983 -0.329 -4.128 1.00 0.00 C ATOM 961 O LYS B 45 -9.926 -1.186 -3.244 1.00 0.00 O ATOM 962 CB LYS B 45 -11.291 -0.758 -6.272 1.00 0.00 C ATOM 963 CG LYS B 45 -12.595 -1.491 -6.630 1.00 0.00 C ATOM 964 CD LYS B 45 -12.777 -2.806 -5.848 1.00 0.00 C ATOM 965 CE LYS B 45 -14.076 -3.507 -6.267 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.231 -4.828 -5.616 1.00 0.00 N ATOM 0 H LYS B 45 -11.720 1.587 -6.054 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.078 -0.542 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.096 0.004 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.465 -1.467 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.442 -0.835 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.604 -1.705 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -11.927 -3.464 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -12.797 -2.599 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.927 -2.875 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.086 -3.633 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.121 -5.266 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -13.433 -5.441 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.248 -4.706 -4.583 1.00 0.00 H new ATOM 980 N LEU B 46 -8.943 0.468 -4.409 1.00 0.00 N ATOM 981 CA LEU B 46 -7.695 0.431 -3.645 1.00 0.00 C ATOM 982 C LEU B 46 -7.811 1.078 -2.254 1.00 0.00 C ATOM 983 O LEU B 46 -7.323 0.520 -1.274 1.00 0.00 O ATOM 984 CB LEU B 46 -6.555 1.050 -4.476 1.00 0.00 C ATOM 985 CG LEU B 46 -5.564 -0.048 -4.880 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.606 0.428 -5.961 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.695 -0.481 -3.698 1.00 0.00 C ATOM 0 H LEU B 46 -8.945 1.151 -5.167 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.463 -0.616 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.960 1.535 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.045 1.820 -3.897 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.176 -0.875 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.920 -0.378 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.172 0.721 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.039 1.283 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.004 -1.260 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.130 0.375 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.331 -0.867 -2.901 1.00 0.00 H new ATOM 999 N GLU B 47 -8.506 2.212 -2.137 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.777 2.900 -0.854 1.00 0.00 C ATOM 1001 C GLU B 47 -9.573 2.045 0.132 1.00 0.00 C ATOM 1002 O GLU B 47 -9.265 2.024 1.325 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.490 4.237 -1.099 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.552 5.115 0.149 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.244 6.432 -0.179 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.494 6.452 -0.216 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.537 7.443 -0.382 1.00 0.00 O ATOM 0 H GLU B 47 -8.908 2.694 -2.941 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.807 3.085 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.974 4.778 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.503 4.043 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.092 4.598 0.942 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.545 5.306 0.521 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.547 1.280 -0.356 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.361 0.400 0.483 1.00 0.00 C ATOM 1016 C LYS B 48 -10.555 -0.792 1.047 1.00 0.00 C ATOM 1017 O LYS B 48 -10.799 -1.231 2.171 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.624 -0.032 -0.283 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.651 -0.695 0.654 1.00 0.00 C ATOM 1020 CD LYS B 48 -15.076 -0.733 0.080 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.189 -1.571 -1.200 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.585 -1.631 -1.688 1.00 0.00 N ATOM 0 H LYS B 48 -10.795 1.252 -1.345 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.681 0.960 1.361 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.075 0.836 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.350 -0.728 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.328 -1.714 0.870 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.665 -0.157 1.602 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.753 -1.137 0.832 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.404 0.285 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.550 -1.144 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.826 -2.581 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.626 -2.205 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -17.189 -2.061 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.922 -0.669 -1.894 1.00 0.00 H new ATOM 1036 N MET B 49 -9.537 -1.263 0.317 1.00 0.00 N ATOM 1037 CA MET B 49 -8.508 -2.166 0.821 1.00 0.00 C ATOM 1038 C MET B 49 -7.530 -1.461 1.782 1.00 0.00 C ATOM 1039 O MET B 49 -7.220 -1.978 2.852 1.00 0.00 O ATOM 1040 CB MET B 49 -7.721 -2.693 -0.380 1.00 0.00 C ATOM 1041 CG MET B 49 -8.176 -4.064 -0.882 1.00 0.00 C ATOM 1042 SD MET B 49 -6.901 -4.935 -1.835 1.00 0.00 S ATOM 1043 CE MET B 49 -6.459 -3.648 -3.032 1.00 0.00 C ATOM 0 H MET B 49 -9.407 -1.018 -0.665 1.00 0.00 H new ATOM 0 HA MET B 49 -8.994 -2.968 1.377 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.804 -1.975 -1.196 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.666 -2.750 -0.111 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.466 -4.678 -0.029 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.063 -3.940 -1.503 1.00 0.00 H new ATOM 0 HE1 MET B 49 -6.633 -4.016 -4.043 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.071 -2.763 -2.857 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.406 -3.390 -2.916 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.077 -0.253 1.440 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.155 0.552 2.244 1.00 0.00 C ATOM 1055 C ALA B 50 -6.680 0.869 3.652 1.00 0.00 C ATOM 1056 O ALA B 50 -5.892 0.969 4.586 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.789 1.821 1.476 1.00 0.00 C ATOM 0 H ALA B 50 -7.350 0.205 0.571 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.258 -0.045 2.409 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.103 2.422 2.072 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.311 1.551 0.534 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.692 2.396 1.272 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.997 0.944 3.847 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.624 1.045 5.167 1.00 0.00 C ATOM 1065 C ASN B 51 -8.272 -0.131 6.119 1.00 0.00 C ATOM 1066 O ASN B 51 -8.237 0.059 7.335 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.133 1.199 4.952 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.904 1.325 6.257 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.511 0.374 6.735 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -10.904 2.494 6.868 1.00 0.00 N ATOM 0 H ASN B 51 -8.670 0.936 3.080 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.226 1.919 5.683 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.320 2.080 4.338 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.506 0.339 4.396 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.412 2.611 7.745 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.396 3.281 6.464 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.928 -1.315 5.586 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.422 -2.472 6.358 1.00 0.00 C ATOM 1079 C GLU B 52 -6.013 -2.265 6.928 1.00 0.00 C ATOM 1080 O GLU B 52 -5.669 -2.843 7.960 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.419 -3.776 5.543 1.00 0.00 C ATOM 1082 CG GLU B 52 -8.804 -4.121 4.995 1.00 0.00 C ATOM 1083 CD GLU B 52 -8.784 -5.493 4.331 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -8.824 -6.508 5.064 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -8.756 -5.557 3.083 1.00 0.00 O ATOM 0 H GLU B 52 -7.994 -1.503 4.586 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.126 -2.556 7.186 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -6.716 -3.683 4.715 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.065 -4.594 6.171 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -9.535 -4.111 5.803 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -9.116 -3.365 4.274 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.226 -1.393 6.288 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.905 -0.887 6.704 1.00 0.00 C ATOM 1094 C GLU B 53 -3.972 0.530 7.304 1.00 0.00 C ATOM 1095 O GLU B 53 -2.952 1.095 7.701 1.00 0.00 O ATOM 1096 CB GLU B 53 -2.989 -0.903 5.473 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.423 -2.286 5.144 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.408 -2.742 6.187 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.276 -2.210 6.192 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.729 -3.661 6.975 1.00 0.00 O ATOM 0 H GLU B 53 -5.515 -0.989 5.397 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.516 -1.530 7.493 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.546 -0.534 4.612 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.162 -0.212 5.637 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.237 -3.009 5.088 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.950 -2.262 4.162 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.188 1.080 7.407 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.564 2.381 8.005 1.00 0.00 C ATOM 1109 C GLU B 54 -5.191 3.596 7.136 1.00 0.00 C ATOM 1110 O GLU B 54 -4.643 4.591 7.607 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.110 2.485 9.476 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.037 3.391 10.283 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.536 3.506 11.717 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.928 2.663 12.555 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.766 4.448 12.009 1.00 0.00 O ATOM 0 H GLU B 54 -6.007 0.591 7.046 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.653 2.412 8.026 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.090 1.491 9.923 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.092 2.874 9.518 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.082 4.379 9.825 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.050 2.989 10.274 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.525 3.488 5.843 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.336 4.473 4.750 1.00 0.00 C ATOM 1124 C GLU B 55 -3.868 4.771 4.423 1.00 0.00 C ATOM 1125 O GLU B 55 -3.180 5.551 5.083 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.153 5.749 4.986 1.00 0.00 C ATOM 1127 CG GLU B 55 -6.261 6.616 3.732 1.00 0.00 C ATOM 1128 CD GLU B 55 -7.061 7.873 4.050 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.310 7.802 4.059 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -6.436 8.933 4.282 1.00 0.00 O ATOM 0 H GLU B 55 -5.973 2.640 5.497 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.729 3.993 3.854 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.153 5.479 5.324 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -5.692 6.329 5.786 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -5.266 6.885 3.377 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -6.745 6.057 2.931 1.00 0.00 H new ATOM 1137 N SER B 56 -3.407 4.114 3.364 1.00 0.00 N ATOM 1138 CA SER B 56 -2.002 4.047 2.926 1.00 0.00 C ATOM 1139 C SER B 56 -1.851 3.884 1.396 1.00 0.00 C ATOM 1140 O SER B 56 -0.841 3.372 0.909 1.00 0.00 O ATOM 1141 CB SER B 56 -1.313 2.887 3.668 1.00 0.00 C ATOM 1142 OG SER B 56 -1.980 1.657 3.431 1.00 0.00 O ATOM 0 H SER B 56 -4.028 3.585 2.752 1.00 0.00 H new ATOM 0 HA SER B 56 -1.525 4.996 3.172 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.275 2.809 3.343 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.297 3.095 4.738 1.00 0.00 H new ATOM 0 HG SER B 56 -1.521 0.938 3.913 1.00 0.00 H new ATOM 1148 N VAL B 57 -2.872 4.275 0.617 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.056 3.918 -0.813 1.00 0.00 C ATOM 1150 C VAL B 57 -1.803 4.021 -1.696 1.00 0.00 C ATOM 1151 O VAL B 57 -1.512 3.086 -2.438 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.196 4.711 -1.495 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.551 4.066 -1.221 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.296 6.168 -1.034 1.00 0.00 C ATOM 0 H VAL B 57 -3.622 4.869 0.970 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.317 2.862 -0.745 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.947 4.693 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.335 4.643 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.554 3.047 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.734 4.046 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.117 6.659 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.479 6.198 0.040 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.363 6.685 -1.258 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.022 5.100 -1.584 1.00 0.00 N ATOM 1165 CA GLY B 58 0.213 5.316 -2.362 1.00 0.00 C ATOM 1166 C GLY B 58 1.252 4.198 -2.197 1.00 0.00 C ATOM 1167 O GLY B 58 1.863 3.749 -3.166 1.00 0.00 O ATOM 0 H GLY B 58 -1.229 5.864 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.045 5.407 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.661 6.263 -2.060 1.00 0.00 H new ATOM 1171 N SER B 59 1.390 3.692 -0.972 1.00 0.00 N ATOM 1172 CA SER B 59 2.188 2.518 -0.637 1.00 0.00 C ATOM 1173 C SER B 59 1.447 1.206 -0.914 1.00 0.00 C ATOM 1174 O SER B 59 2.063 0.249 -1.378 1.00 0.00 O ATOM 1175 CB SER B 59 2.521 2.566 0.855 1.00 0.00 C ATOM 1176 OG SER B 59 3.229 3.744 1.214 1.00 0.00 O ATOM 0 H SER B 59 0.932 4.104 -0.159 1.00 0.00 H new ATOM 0 HA SER B 59 3.083 2.540 -1.259 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.598 2.510 1.432 1.00 0.00 H new ATOM 0 HB3 SER B 59 3.117 1.692 1.120 1.00 0.00 H new ATOM 0 HG SER B 59 3.418 3.732 2.175 1.00 0.00 H new ATOM 1182 N TYR B 60 0.130 1.147 -0.684 1.00 0.00 N ATOM 1183 CA TYR B 60 -0.688 -0.055 -0.926 1.00 0.00 C ATOM 1184 C TYR B 60 -0.639 -0.512 -2.391 1.00 0.00 C ATOM 1185 O TYR B 60 -0.541 -1.702 -2.674 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.142 0.193 -0.505 1.00 0.00 C ATOM 1187 CG TYR B 60 -2.867 -1.065 -0.052 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.228 -2.059 -0.986 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.159 -1.264 1.310 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.863 -3.239 -0.563 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.818 -2.436 1.729 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.161 -3.426 0.796 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.783 -4.563 1.216 1.00 0.00 O ATOM 0 H TYR B 60 -0.405 1.936 -0.322 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.263 -0.855 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.158 0.923 0.304 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -2.684 0.633 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.015 -1.912 -2.034 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -2.877 -0.516 2.036 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.122 -4.001 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.060 -2.573 2.773 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.421 -4.858 0.533 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.621 0.446 -3.318 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.429 0.228 -4.765 1.00 0.00 C ATOM 1205 C ILE B 61 0.832 -0.604 -5.006 1.00 0.00 C ATOM 1206 O ILE B 61 0.793 -1.678 -5.607 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.341 1.606 -5.471 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -1.738 2.243 -5.540 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.239 1.573 -6.901 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -1.701 3.761 -5.687 1.00 0.00 C ATOM 0 H ILE B 61 -0.743 1.431 -3.082 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.273 -0.325 -5.178 1.00 0.00 H new ATOM 0 HB ILE B 61 0.352 2.188 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.283 1.816 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.292 1.985 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.259 2.584 -7.309 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.252 1.172 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.384 0.940 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -2.719 4.147 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.183 4.197 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.174 4.025 -6.604 1.00 0.00 H new ATOM 1222 N LYS B 62 1.944 -0.139 -4.444 1.00 0.00 N ATOM 1223 CA LYS B 62 3.214 -0.840 -4.499 1.00 0.00 C ATOM 1224 C LYS B 62 3.118 -2.208 -3.805 1.00 0.00 C ATOM 1225 O LYS B 62 3.447 -3.230 -4.396 1.00 0.00 O ATOM 1226 CB LYS B 62 4.271 0.081 -3.869 1.00 0.00 C ATOM 1227 CG LYS B 62 5.647 -0.102 -4.522 1.00 0.00 C ATOM 1228 CD LYS B 62 6.678 0.918 -4.012 1.00 0.00 C ATOM 1229 CE LYS B 62 7.595 0.419 -2.883 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.933 0.366 -1.560 1.00 0.00 N ATOM 0 H LYS B 62 1.985 0.743 -3.934 1.00 0.00 H new ATOM 0 HA LYS B 62 3.500 -1.060 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.956 1.119 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.345 -0.127 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.009 -1.111 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.549 -0.006 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.300 1.231 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.146 1.803 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.961 -0.576 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.465 1.072 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.617 0.054 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 6.577 1.311 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 6.139 -0.305 -1.596 1.00 0.00 H new ATOM 1244 N ARG B 63 2.580 -2.260 -2.585 1.00 0.00 N ATOM 1245 CA ARG B 63 2.387 -3.488 -1.803 1.00 0.00 C ATOM 1246 C ARG B 63 1.623 -4.564 -2.602 1.00 0.00 C ATOM 1247 O ARG B 63 1.996 -5.734 -2.566 1.00 0.00 O ATOM 1248 CB ARG B 63 1.676 -3.136 -0.476 1.00 0.00 C ATOM 1249 CG ARG B 63 2.130 -3.914 0.773 1.00 0.00 C ATOM 1250 CD ARG B 63 1.781 -5.410 0.809 1.00 0.00 C ATOM 1251 NE ARG B 63 2.756 -6.234 0.073 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.895 -6.737 0.522 1.00 0.00 C ATOM 1253 NH1 ARG B 63 4.329 -6.520 1.733 1.00 0.00 N ATOM 1254 NH2 ARG B 63 4.631 -7.479 -0.257 1.00 0.00 N ATOM 0 H ARG B 63 2.256 -1.425 -2.097 1.00 0.00 H new ATOM 0 HA ARG B 63 3.361 -3.921 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.817 -2.072 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.606 -3.297 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG B 63 3.211 -3.813 0.864 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.690 -3.439 1.650 1.00 0.00 H new ATOM 0 HD2 ARG B 63 1.736 -5.745 1.845 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.789 -5.559 0.383 1.00 0.00 H new ATOM 0 HE ARG B 63 2.526 -6.442 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG B 63 3.784 -5.943 2.374 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.213 -6.927 2.039 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.329 -7.672 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG B 63 5.509 -7.867 0.088 1.00 0.00 H new ATOM 1268 N TYR B 64 0.614 -4.185 -3.387 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.200 -5.114 -4.178 1.00 0.00 C ATOM 1270 C TYR B 64 0.558 -5.689 -5.385 1.00 0.00 C ATOM 1271 O TYR B 64 0.514 -6.886 -5.665 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.464 -4.385 -4.653 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.685 -5.231 -4.980 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.731 -6.625 -4.750 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.811 -4.588 -5.531 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.897 -7.350 -5.036 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.975 -5.320 -5.823 1.00 0.00 C ATOM 1278 CZ TYR B 64 -5.022 -6.695 -5.554 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.149 -7.406 -5.813 1.00 0.00 O ATOM 0 H TYR B 64 0.334 -3.210 -3.494 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.458 -5.958 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.748 -3.669 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.206 -3.810 -5.542 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.865 -7.134 -4.353 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.780 -3.527 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.928 -8.415 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.832 -4.824 -6.254 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.939 -8.363 -5.816 1.00 0.00 H new ATOM 1289 N ILE B 65 1.332 -4.834 -6.046 1.00 0.00 N ATOM 1290 CA ILE B 65 2.277 -5.207 -7.116 1.00 0.00 C ATOM 1291 C ILE B 65 3.368 -6.141 -6.580 1.00 0.00 C ATOM 1292 O ILE B 65 3.700 -7.149 -7.201 1.00 0.00 O ATOM 1293 CB ILE B 65 2.898 -3.944 -7.762 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.876 -3.136 -8.585 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.138 -4.250 -8.624 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.358 -3.836 -9.846 1.00 0.00 C ATOM 0 H ILE B 65 1.326 -3.832 -5.854 1.00 0.00 H new ATOM 0 HA ILE B 65 1.724 -5.745 -7.886 1.00 0.00 H new ATOM 0 HB ILE B 65 3.221 -3.333 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.026 -2.897 -7.946 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.333 -2.190 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.525 -3.323 -9.047 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.906 -4.714 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.862 -4.930 -9.430 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.645 -3.187 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.194 -4.051 -10.512 1.00 0.00 H new ATOM 0 HD13 ILE B 65 0.866 -4.768 -9.569 1.00 0.00 H new ATOM 1308 N LEU B 66 3.888 -5.849 -5.389 1.00 0.00 N ATOM 1309 CA LEU B 66 4.932 -6.643 -4.742 1.00 0.00 C ATOM 1310 C LEU B 66 4.359 -8.001 -4.297 1.00 0.00 C ATOM 1311 O LEU B 66 5.002 -9.038 -4.445 1.00 0.00 O ATOM 1312 CB LEU B 66 5.496 -5.820 -3.568 1.00 0.00 C ATOM 1313 CG LEU B 66 6.564 -4.756 -3.923 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.526 -4.149 -5.331 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.475 -3.599 -2.929 1.00 0.00 C ATOM 0 H LEU B 66 3.592 -5.043 -4.838 1.00 0.00 H new ATOM 0 HA LEU B 66 5.747 -6.864 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.665 -5.318 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU B 66 5.929 -6.510 -2.844 1.00 0.00 H new ATOM 0 HG LEU B 66 7.497 -5.318 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.331 -3.421 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.653 -4.939 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.567 -3.655 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.226 -2.848 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.483 -3.151 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.653 -3.971 -1.920 1.00 0.00 H new ATOM 1327 N LYS B 67 3.107 -8.006 -3.833 1.00 0.00 N ATOM 1328 CA LYS B 67 2.358 -9.216 -3.503 1.00 0.00 C ATOM 1329 C LYS B 67 2.086 -10.099 -4.738 1.00 0.00 C ATOM 1330 O LYS B 67 2.247 -11.319 -4.677 1.00 0.00 O ATOM 1331 CB LYS B 67 1.067 -8.806 -2.780 1.00 0.00 C ATOM 1332 CG LYS B 67 0.305 -10.027 -2.236 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.840 -9.665 -1.275 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.321 -9.154 0.078 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.416 -8.958 1.053 1.00 0.00 N ATOM 0 H LYS B 67 2.576 -7.150 -3.674 1.00 0.00 H new ATOM 0 HA LYS B 67 2.959 -9.839 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.309 -8.133 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.426 -8.253 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -0.102 -10.593 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.007 -10.682 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -1.469 -8.902 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.468 -10.541 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS B 67 0.401 -9.864 0.481 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.207 -8.212 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -1.023 -8.613 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -2.092 -8.261 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -1.904 -9.862 1.213 1.00 0.00 H new ATOM 1349 N ALA B 68 1.753 -9.490 -5.880 1.00 0.00 N ATOM 1350 CA ALA B 68 1.639 -10.184 -7.167 1.00 0.00 C ATOM 1351 C ALA B 68 2.991 -10.762 -7.627 1.00 0.00 C ATOM 1352 O ALA B 68 3.070 -11.908 -8.073 1.00 0.00 O ATOM 1353 CB ALA B 68 1.055 -9.223 -8.209 1.00 0.00 C ATOM 0 H ALA B 68 1.553 -8.491 -5.938 1.00 0.00 H new ATOM 0 HA ALA B 68 0.966 -11.033 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA B 68 0.968 -9.735 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.069 -8.890 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.712 -8.360 -8.316 1.00 0.00 H new ATOM 1359 N LEU B 69 4.085 -10.014 -7.463 1.00 0.00 N ATOM 1360 CA LEU B 69 5.408 -10.375 -7.952 1.00 0.00 C ATOM 1361 C LEU B 69 5.988 -11.629 -7.272 1.00 0.00 C ATOM 1362 O LEU B 69 6.698 -12.403 -7.914 1.00 0.00 O ATOM 1363 CB LEU B 69 6.299 -9.128 -7.879 1.00 0.00 C ATOM 1364 CG LEU B 69 6.229 -8.268 -9.161 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.913 -6.918 -8.972 1.00 0.00 C ATOM 1366 CD2 LEU B 69 6.924 -8.938 -10.347 1.00 0.00 C ATOM 0 H LEU B 69 4.069 -9.119 -6.974 1.00 0.00 H new ATOM 0 HA LEU B 69 5.346 -10.686 -8.995 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.000 -8.522 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.331 -9.434 -7.708 1.00 0.00 H new ATOM 0 HG LEU B 69 5.165 -8.145 -9.361 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.843 -6.342 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.424 -6.372 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.962 -7.074 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.848 -8.295 -11.224 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.975 -9.102 -10.108 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.446 -9.895 -10.556 1.00 0.00 H new ATOM 1378 N ARG B 70 5.566 -11.904 -6.033 1.00 0.00 N ATOM 1379 CA ARG B 70 5.835 -13.160 -5.322 1.00 0.00 C ATOM 1380 C ARG B 70 5.223 -14.431 -5.969 1.00 0.00 C ATOM 1381 O ARG B 70 5.614 -15.546 -5.617 1.00 0.00 O ATOM 1382 CB ARG B 70 5.406 -13.065 -3.847 1.00 0.00 C ATOM 1383 CG ARG B 70 6.280 -12.094 -3.035 1.00 0.00 C ATOM 1384 CD ARG B 70 6.018 -12.218 -1.529 1.00 0.00 C ATOM 1385 NE ARG B 70 6.554 -13.487 -0.994 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.099 -14.186 0.034 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.071 -13.807 0.743 1.00 0.00 N ATOM 1388 NH2 ARG B 70 6.683 -15.302 0.374 1.00 0.00 N ATOM 0 H ARG B 70 5.015 -11.245 -5.483 1.00 0.00 H new ATOM 0 HA ARG B 70 6.916 -13.284 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.366 -12.741 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG B 70 5.454 -14.055 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.332 -12.294 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.082 -11.071 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG B 70 6.477 -11.378 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG B 70 4.946 -12.164 -1.338 1.00 0.00 H new ATOM 0 HE ARG B 70 7.370 -13.869 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG B 70 4.584 -12.941 0.513 1.00 0.00 H new ATOM 0 HH12 ARG B 70 4.754 -14.377 1.527 1.00 0.00 H new ATOM 0 HH21 ARG B 70 7.490 -15.636 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG B 70 6.332 -15.840 1.166 1.00 0.00 H new ATOM 1402 N LYS B 71 4.290 -14.283 -6.916 1.00 0.00 N ATOM 1403 CA LYS B 71 3.669 -15.382 -7.686 1.00 0.00 C ATOM 1404 C LYS B 71 3.870 -15.274 -9.215 1.00 0.00 C ATOM 1405 O LYS B 71 3.770 -16.276 -9.926 1.00 0.00 O ATOM 1406 CB LYS B 71 2.182 -15.488 -7.335 1.00 0.00 C ATOM 1407 CG LYS B 71 1.940 -16.252 -6.023 1.00 0.00 C ATOM 1408 CD LYS B 71 0.435 -16.335 -5.712 1.00 0.00 C ATOM 1409 CE LYS B 71 0.097 -17.354 -4.611 1.00 0.00 C ATOM 1410 NZ LYS B 71 0.652 -16.988 -3.289 1.00 0.00 N ATOM 0 H LYS B 71 3.930 -13.366 -7.181 1.00 0.00 H new ATOM 0 HA LYS B 71 4.186 -16.296 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS B 71 1.759 -14.487 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS B 71 1.655 -15.990 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.357 -17.256 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.459 -15.753 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS B 71 0.079 -15.351 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS B 71 -0.103 -16.602 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -0.986 -17.446 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS B 71 0.480 -18.333 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 0.391 -17.712 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 1.688 -16.926 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 0.268 -16.068 -2.994 1.00 0.00 H new ATOM 1424 N ILE B 72 4.195 -14.083 -9.729 1.00 0.00 N ATOM 1425 CA ILE B 72 4.635 -13.856 -11.119 1.00 0.00 C ATOM 1426 C ILE B 72 5.984 -14.553 -11.423 1.00 0.00 C ATOM 1427 O ILE B 72 6.183 -15.047 -12.540 1.00 0.00 O ATOM 1428 CB ILE B 72 4.715 -12.331 -11.358 1.00 0.00 C ATOM 1429 CG1 ILE B 72 3.303 -11.695 -11.353 1.00 0.00 C ATOM 1430 CG2 ILE B 72 5.425 -11.942 -12.661 1.00 0.00 C ATOM 1431 CD1 ILE B 72 3.297 -10.161 -11.260 1.00 0.00 C ATOM 0 H ILE B 72 4.160 -13.225 -9.179 1.00 0.00 H new ATOM 0 HA ILE B 72 3.912 -14.299 -11.803 1.00 0.00 H new ATOM 0 HB ILE B 72 5.313 -11.946 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE B 72 2.780 -11.994 -12.262 1.00 0.00 H new ATOM 0 HG13 ILE B 72 2.739 -12.100 -10.513 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.441 -10.856 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE B 72 6.447 -12.320 -12.645 1.00 0.00 H new ATOM 0 HG23 ILE B 72 4.892 -12.373 -13.508 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.268 -9.800 -11.263 1.00 0.00 H new ATOM 0 HD12 ILE B 72 3.788 -9.850 -10.338 1.00 0.00 H new ATOM 0 HD13 ILE B 72 3.830 -9.743 -12.114 1.00 0.00 H new ATOM 1443 N GLU B 73 6.907 -14.587 -10.445 1.00 0.00 N ATOM 1444 CA GLU B 73 8.237 -15.225 -10.522 1.00 0.00 C ATOM 1445 C GLU B 73 8.214 -16.718 -10.890 1.00 0.00 C ATOM 1446 O GLU B 73 9.138 -17.142 -11.617 1.00 0.00 O ATOM 1447 CB GLU B 73 9.036 -14.983 -9.230 1.00 0.00 C ATOM 1448 CG GLU B 73 8.404 -15.540 -7.952 1.00 0.00 C ATOM 1449 CD GLU B 73 9.357 -15.373 -6.777 1.00 0.00 C ATOM 1450 OE1 GLU B 73 9.369 -14.284 -6.160 1.00 0.00 O ATOM 1451 OE2 GLU B 73 10.093 -16.337 -6.469 1.00 0.00 O ATOM 0 H GLU B 73 6.740 -14.151 -9.538 1.00 0.00 H new ATOM 0 HA GLU B 73 8.743 -14.738 -11.356 1.00 0.00 H new ATOM 0 HB2 GLU B 73 10.026 -15.424 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU B 73 9.178 -13.909 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU B 73 7.467 -15.023 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU B 73 8.163 -16.594 -8.087 1.00 0.00 H new TER 1458 GLU B 73