USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN : amide:sc= 0.751 K(o=1.6,f=0.66) USER MOD Set 1.2: A 46 GLN : amide:sc= 0.839 K(o=1.6,f=0.66) USER MOD Set 2.1: A 4 THR OG1 : rot 126:sc= 1.17 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.808 USER MOD Single : A 8 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.054) USER MOD Single : A 11 SER OG : rot -82:sc= 0.0953 USER MOD Single : A 12 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 1.65 (180deg=1.65) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 31 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.675 K(o=0.68,f=-3.1!) USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -125:sc= -0.388 (180deg=-0.49) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 69:sc= 0.824 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -30:sc= -0.206 USER MOD Single : A 65 TYR OH : rot 30:sc= 0.636 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.62 USER MOD Single : A 72 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.2) USER MOD Single : A 78 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= -0.902 K(o=-0.9,f=-0.32) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 -0.745 0.809 0.332 1.00 0.00 N ATOM 2 CA THR A 4 0.662 0.656 -0.020 1.00 0.00 C ATOM 3 C THR A 4 1.349 2.010 -0.146 1.00 0.00 C ATOM 4 O THR A 4 0.699 3.024 -0.402 1.00 0.00 O ATOM 5 CB THR A 4 0.834 -0.120 -1.338 1.00 0.00 C ATOM 6 OG1 THR A 4 0.286 0.644 -2.421 1.00 0.00 O ATOM 7 CG2 THR A 4 0.127 -1.464 -1.262 1.00 0.00 C ATOM 0 HA THR A 4 1.127 0.090 0.787 1.00 0.00 H new ATOM 0 HB THR A 4 1.898 -0.290 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.962 0.748 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.259 -1.998 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.550 -2.052 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.936 -1.306 -1.081 1.00 0.00 H new ATOM 15 N PRO A 5 2.665 2.020 0.036 1.00 0.00 N ATOM 16 CA PRO A 5 3.451 3.237 -0.126 1.00 0.00 C ATOM 17 C PRO A 5 3.381 3.752 -1.557 1.00 0.00 C ATOM 18 O PRO A 5 3.553 4.946 -1.806 1.00 0.00 O ATOM 19 CB PRO A 5 4.872 2.820 0.268 1.00 0.00 C ATOM 20 CG PRO A 5 4.893 1.343 0.069 1.00 0.00 C ATOM 21 CD PRO A 5 3.510 0.871 0.430 1.00 0.00 C ATOM 0 HA PRO A 5 3.084 4.061 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.618 3.315 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.092 3.085 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.138 1.089 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.646 0.872 0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.238 -0.036 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.422 0.649 1.493 1.00 0.00 H new ATOM 29 N SER A 6 3.127 2.846 -2.495 1.00 0.00 N ATOM 30 CA SER A 6 2.968 3.218 -3.896 1.00 0.00 C ATOM 31 C SER A 6 1.625 3.897 -4.137 1.00 0.00 C ATOM 32 O SER A 6 1.507 4.773 -4.993 1.00 0.00 O ATOM 33 CB SER A 6 3.106 1.994 -4.780 1.00 0.00 C ATOM 34 OG SER A 6 2.043 1.096 -4.607 1.00 0.00 O ATOM 0 H SER A 6 3.027 1.848 -2.310 1.00 0.00 H new ATOM 0 HA SER A 6 3.754 3.930 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.151 2.304 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.046 1.490 -4.556 1.00 0.00 H new ATOM 0 HG SER A 6 2.169 0.322 -5.195 1.00 0.00 H new ATOM 40 N ASP A 7 0.617 3.488 -3.376 1.00 0.00 N ATOM 41 CA ASP A 7 -0.678 4.159 -3.393 1.00 0.00 C ATOM 42 C ASP A 7 -0.592 5.538 -2.751 1.00 0.00 C ATOM 43 O ASP A 7 -1.268 6.474 -3.176 1.00 0.00 O ATOM 44 CB ASP A 7 -1.732 3.311 -2.678 1.00 0.00 C ATOM 45 CG ASP A 7 -2.200 2.093 -3.463 1.00 0.00 C ATOM 46 OD1 ASP A 7 -2.026 2.080 -4.660 1.00 0.00 O ATOM 47 OD2 ASP A 7 -2.580 1.126 -2.850 1.00 0.00 O ATOM 0 H ASP A 7 0.671 2.694 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.974 4.285 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.326 2.978 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.595 3.938 -2.456 1.00 0.00 H new ATOM 52 N HIS A 8 0.244 5.656 -1.724 1.00 0.00 N ATOM 53 CA HIS A 8 0.476 6.937 -1.069 1.00 0.00 C ATOM 54 C HIS A 8 1.166 7.918 -2.008 1.00 0.00 C ATOM 55 O HIS A 8 0.727 9.058 -2.162 1.00 0.00 O ATOM 56 CB HIS A 8 1.312 6.751 0.201 1.00 0.00 C ATOM 57 CG HIS A 8 0.548 6.157 1.343 1.00 0.00 C ATOM 58 ND1 HIS A 8 -0.545 6.779 1.910 1.00 0.00 N ATOM 59 CD2 HIS A 8 0.719 5.000 2.024 1.00 0.00 C ATOM 60 CE1 HIS A 8 -1.013 6.028 2.891 1.00 0.00 C ATOM 61 NE2 HIS A 8 -0.265 4.943 2.981 1.00 0.00 N ATOM 0 H HIS A 8 0.772 4.879 -1.328 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.495 7.349 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.164 6.111 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.712 7.718 0.507 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.486 4.260 1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.864 6.262 3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.397 4.186 3.652 1.00 0.00 H new ATOM 69 N LEU A 9 2.249 7.469 -2.634 1.00 0.00 N ATOM 70 CA LEU A 9 3.013 8.314 -3.544 1.00 0.00 C ATOM 71 C LEU A 9 2.190 8.690 -4.769 1.00 0.00 C ATOM 72 O LEU A 9 2.293 9.804 -5.281 1.00 0.00 O ATOM 73 CB LEU A 9 4.305 7.604 -3.967 1.00 0.00 C ATOM 74 CG LEU A 9 5.346 7.425 -2.855 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.484 6.538 -3.342 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.871 8.788 -2.427 1.00 0.00 C ATOM 0 H LEU A 9 2.617 6.524 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 9 3.269 9.233 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.048 6.622 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.760 8.167 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 9 4.881 6.942 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.218 6.417 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.089 5.562 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.960 7.000 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.611 8.661 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.333 9.284 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.046 9.396 -2.057 1.00 0.00 H new ATOM 88 N LEU A 10 1.371 7.752 -5.236 1.00 0.00 N ATOM 89 CA LEU A 10 0.498 7.997 -6.377 1.00 0.00 C ATOM 90 C LEU A 10 -0.471 9.139 -6.095 1.00 0.00 C ATOM 91 O LEU A 10 -0.529 10.115 -6.843 1.00 0.00 O ATOM 92 CB LEU A 10 -0.274 6.722 -6.738 1.00 0.00 C ATOM 93 CG LEU A 10 -0.952 6.735 -8.114 1.00 0.00 C ATOM 94 CD1 LEU A 10 -1.407 5.331 -8.486 1.00 0.00 C ATOM 95 CD2 LEU A 10 -2.131 7.695 -8.090 1.00 0.00 C ATOM 0 H LEU A 10 1.294 6.815 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 10 1.122 8.286 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.413 5.877 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.036 6.550 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.240 7.072 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.887 5.351 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.544 4.666 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.116 4.969 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.613 7.704 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.848 7.372 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.779 8.698 -7.850 1.00 0.00 H new ATOM 107 N SER A 11 -1.228 9.012 -5.011 1.00 0.00 N ATOM 108 CA SER A 11 -2.237 10.005 -4.661 1.00 0.00 C ATOM 109 C SER A 11 -1.592 11.318 -4.236 1.00 0.00 C ATOM 110 O SER A 11 -2.172 12.390 -4.412 1.00 0.00 O ATOM 111 CB SER A 11 -3.130 9.474 -3.556 1.00 0.00 C ATOM 112 OG SER A 11 -2.433 9.298 -2.354 1.00 0.00 O ATOM 0 H SER A 11 -1.162 8.230 -4.359 1.00 0.00 H new ATOM 0 HA SER A 11 -2.844 10.200 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.958 10.165 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.563 8.523 -3.866 1.00 0.00 H new ATOM 0 HG SER A 11 -1.964 8.438 -2.371 1.00 0.00 H new ATOM 118 N THR A 12 -0.390 11.229 -3.678 1.00 0.00 N ATOM 119 CA THR A 12 0.361 12.414 -3.283 1.00 0.00 C ATOM 120 C THR A 12 0.743 13.253 -4.495 1.00 0.00 C ATOM 121 O THR A 12 0.509 14.462 -4.524 1.00 0.00 O ATOM 122 CB THR A 12 1.639 12.041 -2.508 1.00 0.00 C ATOM 123 OG1 THR A 12 1.282 11.420 -1.266 1.00 0.00 O ATOM 124 CG2 THR A 12 2.474 13.281 -2.228 1.00 0.00 C ATOM 0 H THR A 12 0.086 10.347 -3.489 1.00 0.00 H new ATOM 0 HA THR A 12 -0.291 12.996 -2.632 1.00 0.00 H new ATOM 0 HB THR A 12 2.225 11.350 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.219 10.450 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.373 12.998 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.756 13.750 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.892 13.985 -1.633 1.00 0.00 H new ATOM 132 N LEU A 13 1.331 12.606 -5.495 1.00 0.00 N ATOM 133 CA LEU A 13 1.797 13.302 -6.689 1.00 0.00 C ATOM 134 C LEU A 13 0.644 13.598 -7.640 1.00 0.00 C ATOM 135 O LEU A 13 0.744 14.475 -8.498 1.00 0.00 O ATOM 136 CB LEU A 13 2.874 12.472 -7.400 1.00 0.00 C ATOM 137 CG LEU A 13 4.150 12.224 -6.584 1.00 0.00 C ATOM 138 CD1 LEU A 13 5.079 11.285 -7.342 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.839 13.551 -6.301 1.00 0.00 C ATOM 0 H LEU A 13 1.496 11.600 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 13 2.229 14.253 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.445 11.509 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.147 12.977 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 13 3.890 11.755 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.982 11.115 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.574 10.335 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.347 11.733 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.745 13.374 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.099 14.034 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.167 14.197 -5.736 1.00 0.00 H new ATOM 151 N GLU A 14 -0.450 12.861 -7.482 1.00 0.00 N ATOM 152 CA GLU A 14 -1.678 13.145 -8.216 1.00 0.00 C ATOM 153 C GLU A 14 -2.327 14.433 -7.729 1.00 0.00 C ATOM 154 O GLU A 14 -2.745 15.270 -8.528 1.00 0.00 O ATOM 155 CB GLU A 14 -2.660 11.979 -8.087 1.00 0.00 C ATOM 156 CG GLU A 14 -3.964 12.168 -8.851 1.00 0.00 C ATOM 157 CD GLU A 14 -4.876 10.986 -8.676 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.503 10.068 -7.985 1.00 0.00 O ATOM 159 OE2 GLU A 14 -5.990 11.047 -9.141 1.00 0.00 O ATOM 0 H GLU A 14 -0.512 12.062 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.416 13.273 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.174 11.070 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.890 11.828 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.465 13.071 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.750 12.311 -9.910 1.00 0.00 H new ATOM 166 N GLU A 15 -2.407 14.588 -6.411 1.00 0.00 N ATOM 167 CA GLU A 15 -3.029 15.763 -5.814 1.00 0.00 C ATOM 168 C GLU A 15 -2.096 16.965 -5.865 1.00 0.00 C ATOM 169 O GLU A 15 -2.534 18.110 -5.746 1.00 0.00 O ATOM 170 CB GLU A 15 -3.438 15.477 -4.367 1.00 0.00 C ATOM 171 CG GLU A 15 -4.596 14.499 -4.223 1.00 0.00 C ATOM 172 CD GLU A 15 -4.911 14.234 -2.777 1.00 0.00 C ATOM 173 OE1 GLU A 15 -4.275 14.819 -1.934 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.859 13.534 -2.515 1.00 0.00 O ATOM 0 H GLU A 15 -2.048 13.913 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.921 15.998 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.576 15.082 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.710 16.417 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.478 14.901 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.347 13.562 -4.721 1.00 0.00 H new ATOM 181 N LEU A 16 -0.806 16.700 -6.044 1.00 0.00 N ATOM 182 CA LEU A 16 0.175 17.761 -6.239 1.00 0.00 C ATOM 183 C LEU A 16 -0.112 18.550 -7.510 1.00 0.00 C ATOM 184 O LEU A 16 -0.338 17.973 -8.573 1.00 0.00 O ATOM 185 CB LEU A 16 1.590 17.172 -6.285 1.00 0.00 C ATOM 186 CG LEU A 16 2.719 18.197 -6.448 1.00 0.00 C ATOM 187 CD1 LEU A 16 2.759 19.125 -5.240 1.00 0.00 C ATOM 188 CD2 LEU A 16 4.046 17.472 -6.614 1.00 0.00 C ATOM 0 H LEU A 16 -0.415 15.758 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 16 0.104 18.447 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.762 16.609 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.644 16.462 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 16 2.536 18.800 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.564 19.850 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.808 19.650 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.934 18.540 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.847 18.202 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.238 16.859 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.005 16.835 -7.498 1.00 0.00 H new ATOM 200 N VAL A 17 -0.102 19.874 -7.393 1.00 0.00 N ATOM 201 CA VAL A 17 -0.345 20.746 -8.536 1.00 0.00 C ATOM 202 C VAL A 17 0.614 20.437 -9.677 1.00 0.00 C ATOM 203 O VAL A 17 1.826 20.357 -9.479 1.00 0.00 O ATOM 204 CB VAL A 17 -0.210 22.232 -8.152 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.346 23.114 -9.384 1.00 0.00 C ATOM 206 CG2 VAL A 17 -1.251 22.610 -7.110 1.00 0.00 C ATOM 0 H VAL A 17 0.072 20.367 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.367 20.557 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 17 0.780 22.388 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.248 24.160 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.435 22.861 -10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.323 22.953 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.141 23.663 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.249 22.438 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.111 22.000 -6.218 1.00 0.00 H new ATOM 216 N PRO A 18 0.065 20.265 -10.876 1.00 0.00 N ATOM 217 CA PRO A 18 0.858 19.870 -12.033 1.00 0.00 C ATOM 218 C PRO A 18 2.054 20.794 -12.221 1.00 0.00 C ATOM 219 O PRO A 18 3.153 20.343 -12.549 1.00 0.00 O ATOM 220 CB PRO A 18 -0.124 19.952 -13.206 1.00 0.00 C ATOM 221 CG PRO A 18 -1.453 19.652 -12.599 1.00 0.00 C ATOM 222 CD PRO A 18 -1.414 20.270 -11.227 1.00 0.00 C ATOM 0 HA PRO A 18 1.286 18.873 -11.931 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.111 20.940 -13.666 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.128 19.234 -13.986 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.262 20.073 -13.197 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.625 18.577 -12.541 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.822 21.281 -11.231 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.998 19.693 -10.510 1.00 0.00 H new ATOM 230 N TYR A 19 1.836 22.088 -12.013 1.00 0.00 N ATOM 231 CA TYR A 19 2.903 23.074 -12.130 1.00 0.00 C ATOM 232 C TYR A 19 3.949 22.886 -11.038 1.00 0.00 C ATOM 233 O TYR A 19 5.125 23.195 -11.232 1.00 0.00 O ATOM 234 CB TYR A 19 2.331 24.491 -12.071 1.00 0.00 C ATOM 235 CG TYR A 19 1.540 24.884 -13.299 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.183 25.252 -14.471 1.00 0.00 C ATOM 237 CD2 TYR A 19 0.153 24.890 -13.283 1.00 0.00 C ATOM 238 CE1 TYR A 19 1.467 25.612 -15.596 1.00 0.00 C ATOM 239 CE2 TYR A 19 -0.574 25.248 -14.402 1.00 0.00 C ATOM 240 CZ TYR A 19 0.087 25.610 -15.557 1.00 0.00 C ATOM 241 OH TYR A 19 -0.631 25.968 -16.675 1.00 0.00 O ATOM 0 H TYR A 19 0.928 22.479 -11.762 1.00 0.00 H new ATOM 0 HA TYR A 19 3.388 22.928 -13.095 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.689 24.577 -11.194 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.150 25.198 -11.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.262 25.257 -14.505 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.368 24.610 -12.379 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.984 25.894 -16.501 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.654 25.244 -14.372 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.590 25.912 -16.480 1.00 0.00 H new ATOM 251 N ASP A 20 3.513 22.380 -9.890 1.00 0.00 N ATOM 252 CA ASP A 20 4.410 22.153 -8.763 1.00 0.00 C ATOM 253 C ASP A 20 5.012 20.754 -8.811 1.00 0.00 C ATOM 254 O ASP A 20 5.977 20.459 -8.106 1.00 0.00 O ATOM 255 CB ASP A 20 3.672 22.364 -7.439 1.00 0.00 C ATOM 256 CG ASP A 20 3.336 23.816 -7.130 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.888 24.682 -7.767 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.421 24.046 -6.375 1.00 0.00 O ATOM 0 H ASP A 20 2.543 22.119 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 20 5.223 22.876 -8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.748 21.786 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.283 21.965 -6.629 1.00 0.00 H new ATOM 263 N PHE A 21 4.437 19.897 -9.646 1.00 0.00 N ATOM 264 CA PHE A 21 5.032 18.600 -9.944 1.00 0.00 C ATOM 265 C PHE A 21 6.262 18.749 -10.830 1.00 0.00 C ATOM 266 O PHE A 21 7.232 18.003 -10.694 1.00 0.00 O ATOM 267 CB PHE A 21 4.008 17.682 -10.614 1.00 0.00 C ATOM 268 CG PHE A 21 4.539 16.315 -10.937 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.821 15.407 -9.927 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.761 15.933 -12.252 1.00 0.00 C ATOM 271 CE1 PHE A 21 5.310 14.149 -10.222 1.00 0.00 C ATOM 272 CE2 PHE A 21 5.249 14.677 -12.551 1.00 0.00 C ATOM 273 CZ PHE A 21 5.524 13.783 -11.534 1.00 0.00 C ATOM 0 H PHE A 21 3.557 20.077 -10.130 1.00 0.00 H new ATOM 0 HA PHE A 21 5.344 18.152 -9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.142 17.580 -9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.659 18.152 -11.533 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.656 15.687 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.549 16.627 -13.052 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.525 13.452 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.416 14.393 -13.580 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.906 12.800 -11.766 1.00 0.00 H new ATOM 283 N GLU A 22 6.216 19.717 -11.739 1.00 0.00 N ATOM 284 CA GLU A 22 7.397 20.113 -12.496 1.00 0.00 C ATOM 285 C GLU A 22 8.496 20.629 -11.575 1.00 0.00 C ATOM 286 O GLU A 22 9.679 20.376 -11.804 1.00 0.00 O ATOM 287 CB GLU A 22 7.035 21.182 -13.532 1.00 0.00 C ATOM 288 CG GLU A 22 6.253 20.659 -14.728 1.00 0.00 C ATOM 289 CD GLU A 22 7.050 19.646 -15.501 1.00 0.00 C ATOM 290 OE1 GLU A 22 8.189 19.917 -15.799 1.00 0.00 O ATOM 291 OE2 GLU A 22 6.561 18.559 -15.699 1.00 0.00 O ATOM 0 H GLU A 22 5.372 20.242 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 22 7.773 19.230 -13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.450 21.961 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.952 21.650 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.321 20.208 -14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.985 21.489 -15.381 1.00 0.00 H new ATOM 298 N LYS A 23 8.097 21.350 -10.534 1.00 0.00 N ATOM 299 CA LYS A 23 9.034 21.803 -9.512 1.00 0.00 C ATOM 300 C LYS A 23 9.506 20.643 -8.645 1.00 0.00 C ATOM 301 O LYS A 23 10.661 20.603 -8.220 1.00 0.00 O ATOM 302 CB LYS A 23 8.395 22.884 -8.640 1.00 0.00 C ATOM 303 CG LYS A 23 8.106 24.191 -9.369 1.00 0.00 C ATOM 304 CD LYS A 23 7.415 25.192 -8.456 1.00 0.00 C ATOM 305 CE LYS A 23 7.026 26.455 -9.212 1.00 0.00 C ATOM 306 NZ LYS A 23 6.280 27.412 -8.350 1.00 0.00 N ATOM 0 H LYS A 23 7.130 21.634 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 23 9.902 22.225 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.463 22.498 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.054 23.090 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.038 24.617 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.478 23.994 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.525 24.737 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.077 25.450 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.924 26.938 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.413 26.188 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.034 28.258 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.410 26.961 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.874 27.687 -7.542 1.00 0.00 H new ATOM 320 N PHE A 24 8.607 19.700 -8.386 1.00 0.00 N ATOM 321 CA PHE A 24 8.960 18.482 -7.667 1.00 0.00 C ATOM 322 C PHE A 24 10.083 17.732 -8.370 1.00 0.00 C ATOM 323 O PHE A 24 11.089 17.381 -7.753 1.00 0.00 O ATOM 324 CB PHE A 24 7.736 17.577 -7.518 1.00 0.00 C ATOM 325 CG PHE A 24 8.050 16.221 -6.953 1.00 0.00 C ATOM 326 CD1 PHE A 24 8.196 16.040 -5.586 1.00 0.00 C ATOM 327 CD2 PHE A 24 8.201 15.122 -7.786 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.486 14.794 -5.064 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.490 13.875 -7.268 1.00 0.00 C ATOM 330 CZ PHE A 24 8.632 13.711 -5.905 1.00 0.00 C ATOM 0 H PHE A 24 7.627 19.756 -8.664 1.00 0.00 H new ATOM 0 HA PHE A 24 9.312 18.769 -6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.008 18.069 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.266 17.454 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.082 16.883 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.091 15.243 -8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.598 14.668 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.605 13.029 -7.929 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.857 12.736 -5.498 1.00 0.00 H new ATOM 340 N LYS A 25 9.907 17.491 -9.665 1.00 0.00 N ATOM 341 CA LYS A 25 10.903 16.774 -10.453 1.00 0.00 C ATOM 342 C LYS A 25 12.187 17.583 -10.586 1.00 0.00 C ATOM 343 O LYS A 25 13.285 17.027 -10.584 1.00 0.00 O ATOM 344 CB LYS A 25 10.349 16.437 -11.837 1.00 0.00 C ATOM 345 CG LYS A 25 9.187 15.452 -11.827 1.00 0.00 C ATOM 346 CD LYS A 25 8.755 15.091 -13.241 1.00 0.00 C ATOM 347 CE LYS A 25 8.220 16.306 -13.984 1.00 0.00 C ATOM 348 NZ LYS A 25 7.607 15.934 -15.289 1.00 0.00 N ATOM 0 H LYS A 25 9.083 17.782 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 25 11.137 15.847 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.024 17.359 -12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.153 16.025 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.478 14.548 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.345 15.885 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.601 14.672 -13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.987 14.319 -13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.478 16.812 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.031 17.014 -14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.270 16.792 -15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.316 15.459 -15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.806 15.291 -15.126 1.00 0.00 H new ATOM 362 N PHE A 26 12.042 18.898 -10.700 1.00 0.00 N ATOM 363 CA PHE A 26 13.191 19.792 -10.780 1.00 0.00 C ATOM 364 C PHE A 26 14.079 19.659 -9.549 1.00 0.00 C ATOM 365 O PHE A 26 15.303 19.588 -9.659 1.00 0.00 O ATOM 366 CB PHE A 26 12.731 21.242 -10.941 1.00 0.00 C ATOM 367 CG PHE A 26 13.855 22.240 -10.929 1.00 0.00 C ATOM 368 CD1 PHE A 26 14.628 22.449 -12.061 1.00 0.00 C ATOM 369 CD2 PHE A 26 14.140 22.970 -9.785 1.00 0.00 C ATOM 370 CE1 PHE A 26 15.662 23.367 -12.050 1.00 0.00 C ATOM 371 CE2 PHE A 26 15.172 23.888 -9.771 1.00 0.00 C ATOM 372 CZ PHE A 26 15.934 24.086 -10.906 1.00 0.00 C ATOM 0 H PHE A 26 11.138 19.369 -10.739 1.00 0.00 H new ATOM 0 HA PHE A 26 13.775 19.506 -11.655 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.183 21.337 -11.878 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.034 21.484 -10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.420 21.889 -12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.548 22.819 -8.894 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.257 23.521 -12.938 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.383 24.450 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.742 24.803 -10.897 1.00 0.00 H new ATOM 382 N LYS A 27 13.455 19.623 -8.377 1.00 0.00 N ATOM 383 CA LYS A 27 14.189 19.528 -7.121 1.00 0.00 C ATOM 384 C LYS A 27 14.608 18.091 -6.836 1.00 0.00 C ATOM 385 O LYS A 27 15.638 17.847 -6.206 1.00 0.00 O ATOM 386 CB LYS A 27 13.347 20.068 -5.965 1.00 0.00 C ATOM 387 CG LYS A 27 13.082 21.567 -6.027 1.00 0.00 C ATOM 388 CD LYS A 27 14.373 22.363 -5.892 1.00 0.00 C ATOM 389 CE LYS A 27 14.103 23.860 -5.897 1.00 0.00 C ATOM 390 NZ LYS A 27 15.350 24.650 -5.712 1.00 0.00 N ATOM 0 H LYS A 27 12.441 19.658 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 27 15.090 20.134 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.392 19.543 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.851 19.839 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.597 21.814 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.393 21.850 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.879 22.086 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.046 22.110 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.632 24.141 -6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.398 24.104 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.123 25.665 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.787 24.401 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.014 24.437 -6.484 1.00 0.00 H new ATOM 404 N LEU A 28 13.804 17.141 -7.301 1.00 0.00 N ATOM 405 CA LEU A 28 14.060 15.729 -7.049 1.00 0.00 C ATOM 406 C LEU A 28 15.354 15.277 -7.712 1.00 0.00 C ATOM 407 O LEU A 28 16.158 14.566 -7.107 1.00 0.00 O ATOM 408 CB LEU A 28 12.882 14.880 -7.545 1.00 0.00 C ATOM 409 CG LEU A 28 13.058 13.364 -7.388 1.00 0.00 C ATOM 410 CD1 LEU A 28 13.231 13.009 -5.918 1.00 0.00 C ATOM 411 CD2 LEU A 28 11.851 12.648 -7.978 1.00 0.00 C ATOM 0 H LEU A 28 12.968 17.325 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 28 14.168 15.592 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.984 15.183 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.712 15.103 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 28 13.952 13.044 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.355 11.931 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.112 13.515 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.350 13.327 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.976 11.571 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.949 12.964 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.763 12.895 -9.036 1.00 0.00 H new ATOM 423 N GLN A 29 15.552 15.692 -8.958 1.00 0.00 N ATOM 424 CA GLN A 29 16.733 15.301 -9.718 1.00 0.00 C ATOM 425 C GLN A 29 17.992 15.946 -9.152 1.00 0.00 C ATOM 426 O GLN A 29 19.106 15.508 -9.437 1.00 0.00 O ATOM 427 CB GLN A 29 16.574 15.685 -11.192 1.00 0.00 C ATOM 428 CG GLN A 29 16.621 17.181 -11.453 1.00 0.00 C ATOM 429 CD GLN A 29 16.416 17.519 -12.917 1.00 0.00 C ATOM 430 OE1 GLN A 29 15.301 17.432 -13.439 1.00 0.00 O ATOM 431 NE2 GLN A 29 17.493 17.905 -13.591 1.00 0.00 N ATOM 0 H GLN A 29 14.908 16.300 -9.464 1.00 0.00 H new ATOM 0 HA GLN A 29 16.834 14.219 -9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.362 15.202 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.625 15.293 -11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.853 17.675 -10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.582 17.575 -11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.396 17.963 -13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.417 18.144 -14.580 1.00 0.00 H new ATOM 440 N ASN A 30 17.807 16.987 -8.349 1.00 0.00 N ATOM 441 CA ASN A 30 18.926 17.676 -7.717 1.00 0.00 C ATOM 442 C ASN A 30 19.163 17.158 -6.303 1.00 0.00 C ATOM 443 O ASN A 30 20.263 17.283 -5.763 1.00 0.00 O ATOM 444 CB ASN A 30 18.714 19.178 -7.697 1.00 0.00 C ATOM 445 CG ASN A 30 18.734 19.811 -9.061 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.376 19.309 -9.990 1.00 0.00 O ATOM 447 ND2 ASN A 30 18.101 20.952 -9.163 1.00 0.00 N ATOM 0 H ASN A 30 16.891 17.373 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 30 19.813 17.466 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.758 19.394 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.488 19.637 -7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.123 21.471 -10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.585 21.322 -8.365 1.00 0.00 H new ATOM 454 N THR A 31 18.126 16.578 -5.709 1.00 0.00 N ATOM 455 CA THR A 31 18.209 16.074 -4.344 1.00 0.00 C ATOM 456 C THR A 31 19.220 14.938 -4.236 1.00 0.00 C ATOM 457 O THR A 31 19.166 13.973 -4.999 1.00 0.00 O ATOM 458 CB THR A 31 16.841 15.579 -3.840 1.00 0.00 C ATOM 459 OG1 THR A 31 15.905 16.665 -3.848 1.00 0.00 O ATOM 460 CG2 THR A 31 16.961 15.028 -2.427 1.00 0.00 C ATOM 0 H THR A 31 17.217 16.445 -6.152 1.00 0.00 H new ATOM 0 HA THR A 31 18.535 16.907 -3.722 1.00 0.00 H new ATOM 0 HB THR A 31 16.492 14.785 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.825 17.021 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.985 14.683 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.663 14.194 -2.420 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.321 15.812 -1.760 1.00 0.00 H new ATOM 468 N SER A 32 20.140 15.060 -3.286 1.00 0.00 N ATOM 469 CA SER A 32 21.129 14.018 -3.040 1.00 0.00 C ATOM 470 C SER A 32 20.515 12.840 -2.295 1.00 0.00 C ATOM 471 O SER A 32 19.650 13.018 -1.438 1.00 0.00 O ATOM 472 CB SER A 32 22.301 14.583 -2.260 1.00 0.00 C ATOM 473 OG SER A 32 23.229 13.593 -1.913 1.00 0.00 O ATOM 0 H SER A 32 20.221 15.871 -2.673 1.00 0.00 H new ATOM 0 HA SER A 32 21.486 13.655 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.796 15.351 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.934 15.068 -1.356 1.00 0.00 H new ATOM 0 HG SER A 32 23.968 13.998 -1.414 1.00 0.00 H new ATOM 479 N VAL A 33 20.968 11.636 -2.627 1.00 0.00 N ATOM 480 CA VAL A 33 20.456 10.424 -1.997 1.00 0.00 C ATOM 481 C VAL A 33 21.585 9.591 -1.404 1.00 0.00 C ATOM 482 O VAL A 33 22.758 9.813 -1.709 1.00 0.00 O ATOM 483 CB VAL A 33 19.663 9.559 -2.995 1.00 0.00 C ATOM 484 CG1 VAL A 33 18.498 10.348 -3.575 1.00 0.00 C ATOM 485 CG2 VAL A 33 20.572 9.060 -4.107 1.00 0.00 C ATOM 0 H VAL A 33 21.689 11.473 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 33 19.788 10.745 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 33 19.265 8.696 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.949 9.722 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.833 10.659 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.877 11.229 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.995 8.451 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.999 9.911 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.375 8.460 -3.679 1.00 0.00 H new ATOM 495 N GLN A 34 21.227 8.634 -0.557 1.00 0.00 N ATOM 496 CA GLN A 34 22.205 7.733 0.040 1.00 0.00 C ATOM 497 C GLN A 34 22.847 6.840 -1.014 1.00 0.00 C ATOM 498 O GLN A 34 22.154 6.215 -1.817 1.00 0.00 O ATOM 499 CB GLN A 34 21.549 6.869 1.120 1.00 0.00 C ATOM 500 CG GLN A 34 22.497 5.896 1.800 1.00 0.00 C ATOM 501 CD GLN A 34 23.519 6.599 2.673 1.00 0.00 C ATOM 502 OE1 GLN A 34 23.189 7.530 3.413 1.00 0.00 O ATOM 503 NE2 GLN A 34 24.770 6.160 2.589 1.00 0.00 N ATOM 0 H GLN A 34 20.264 8.462 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 34 22.984 8.345 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 34 21.112 7.522 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 34 20.729 6.307 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 34 21.922 5.198 2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 34 23.014 5.307 1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 34 24.998 5.387 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.502 6.596 3.150 1.00 0.00 H new ATOM 512 N LYS A 35 24.175 6.783 -1.005 1.00 0.00 N ATOM 513 CA LYS A 35 24.917 6.063 -2.033 1.00 0.00 C ATOM 514 C LYS A 35 24.420 4.629 -2.169 1.00 0.00 C ATOM 515 O LYS A 35 24.340 4.093 -3.274 1.00 0.00 O ATOM 516 CB LYS A 35 26.414 6.072 -1.718 1.00 0.00 C ATOM 517 CG LYS A 35 27.278 5.357 -2.748 1.00 0.00 C ATOM 518 CD LYS A 35 28.755 5.465 -2.402 1.00 0.00 C ATOM 519 CE LYS A 35 29.618 4.736 -3.420 1.00 0.00 C ATOM 520 NZ LYS A 35 31.066 4.829 -3.090 1.00 0.00 N ATOM 0 H LYS A 35 24.759 7.227 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 35 24.751 6.573 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.749 7.106 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.571 5.607 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.991 4.307 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 35 27.101 5.786 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 35 29.045 6.515 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 35 28.929 5.048 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 35 29.322 3.688 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 35 29.444 5.156 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 31.619 4.319 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 31.355 5.828 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 31.237 4.405 -2.156 1.00 0.00 H new ATOM 534 N GLU A 36 24.085 4.015 -1.040 1.00 0.00 N ATOM 535 CA GLU A 36 23.688 2.612 -1.020 1.00 0.00 C ATOM 536 C GLU A 36 22.457 2.376 -1.886 1.00 0.00 C ATOM 537 O GLU A 36 22.313 1.320 -2.503 1.00 0.00 O ATOM 538 CB GLU A 36 23.416 2.152 0.414 1.00 0.00 C ATOM 539 CG GLU A 36 24.660 2.044 1.285 1.00 0.00 C ATOM 540 CD GLU A 36 24.306 1.673 2.698 1.00 0.00 C ATOM 541 OE1 GLU A 36 23.139 1.576 2.993 1.00 0.00 O ATOM 542 OE2 GLU A 36 25.201 1.375 3.455 1.00 0.00 O ATOM 0 H GLU A 36 24.080 4.467 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 36 24.512 2.027 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.720 2.849 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.923 1.181 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.335 1.296 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.194 2.994 1.279 1.00 0.00 H new ATOM 549 N HIS A 37 21.572 3.366 -1.931 1.00 0.00 N ATOM 550 CA HIS A 37 20.325 3.247 -2.678 1.00 0.00 C ATOM 551 C HIS A 37 20.498 3.721 -4.115 1.00 0.00 C ATOM 552 O HIS A 37 21.315 4.598 -4.396 1.00 0.00 O ATOM 553 CB HIS A 37 19.207 4.041 -1.995 1.00 0.00 C ATOM 554 CG HIS A 37 18.900 3.575 -0.606 1.00 0.00 C ATOM 555 ND1 HIS A 37 17.799 2.799 -0.308 1.00 0.00 N ATOM 556 CD2 HIS A 37 19.548 3.774 0.566 1.00 0.00 C ATOM 557 CE1 HIS A 37 17.784 2.541 0.989 1.00 0.00 C ATOM 558 NE2 HIS A 37 18.834 3.121 1.540 1.00 0.00 N ATOM 0 H HIS A 37 21.695 4.261 -1.458 1.00 0.00 H new ATOM 0 HA HIS A 37 20.049 2.193 -2.695 1.00 0.00 H new ATOM 0 HB2 HIS A 37 19.489 5.093 -1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 37 18.303 3.972 -2.600 1.00 0.00 H new ATOM 0 HD1 HIS A 37 17.105 2.475 -0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 37 20.457 4.340 0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.040 1.956 1.509 1.00 0.00 H new ATOM 566 N SER A 38 19.723 3.137 -5.023 1.00 0.00 N ATOM 567 CA SER A 38 19.909 3.365 -6.450 1.00 0.00 C ATOM 568 C SER A 38 19.237 4.658 -6.894 1.00 0.00 C ATOM 569 O SER A 38 18.072 4.902 -6.581 1.00 0.00 O ATOM 570 CB SER A 38 19.368 2.191 -7.242 1.00 0.00 C ATOM 571 OG SER A 38 19.449 2.405 -8.624 1.00 0.00 O ATOM 0 H SER A 38 18.959 2.501 -4.795 1.00 0.00 H new ATOM 0 HA SER A 38 20.978 3.460 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.925 1.291 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.329 2.014 -6.963 1.00 0.00 H new ATOM 0 HG SER A 38 19.244 1.571 -9.097 1.00 0.00 H new ATOM 577 N ARG A 39 19.980 5.485 -7.624 1.00 0.00 N ATOM 578 CA ARG A 39 19.471 6.775 -8.074 1.00 0.00 C ATOM 579 C ARG A 39 18.757 6.648 -9.413 1.00 0.00 C ATOM 580 O ARG A 39 19.290 6.069 -10.359 1.00 0.00 O ATOM 581 CB ARG A 39 20.560 7.836 -8.122 1.00 0.00 C ATOM 582 CG ARG A 39 20.077 9.233 -8.476 1.00 0.00 C ATOM 583 CD ARG A 39 21.147 10.265 -8.496 1.00 0.00 C ATOM 584 NE ARG A 39 20.662 11.634 -8.541 1.00 0.00 N ATOM 585 CZ ARG A 39 20.347 12.371 -7.459 1.00 0.00 C ATOM 586 NH1 ARG A 39 20.426 11.865 -6.248 1.00 0.00 N ATOM 587 NH2 ARG A 39 19.931 13.612 -7.647 1.00 0.00 N ATOM 0 H ARG A 39 20.936 5.284 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 39 18.741 7.107 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.054 7.873 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.312 7.532 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.600 9.202 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.313 9.533 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 39 21.769 10.142 -7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 39 21.787 10.091 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 39 20.552 12.068 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.730 10.900 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.184 12.437 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.856 13.987 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.685 14.194 -6.846 1.00 0.00 H new ATOM 601 N ILE A 40 17.548 7.194 -9.487 1.00 0.00 N ATOM 602 CA ILE A 40 16.804 7.242 -10.741 1.00 0.00 C ATOM 603 C ILE A 40 17.395 8.274 -11.693 1.00 0.00 C ATOM 604 O ILE A 40 17.634 9.420 -11.310 1.00 0.00 O ATOM 605 CB ILE A 40 15.318 7.568 -10.504 1.00 0.00 C ATOM 606 CG1 ILE A 40 14.660 6.473 -9.660 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.592 7.731 -11.830 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.245 6.796 -9.236 1.00 0.00 C ATOM 0 H ILE A 40 17.062 7.610 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 40 16.882 6.252 -11.190 1.00 0.00 H new ATOM 0 HB ILE A 40 15.251 8.509 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.656 5.543 -10.228 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.265 6.300 -8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.543 7.961 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.047 8.543 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.665 6.805 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.846 5.974 -8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.243 7.708 -8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.624 6.939 -10.120 1.00 0.00 H new ATOM 620 N PRO A 41 17.630 7.861 -12.933 1.00 0.00 N ATOM 621 CA PRO A 41 18.190 8.751 -13.944 1.00 0.00 C ATOM 622 C PRO A 41 17.411 10.059 -14.017 1.00 0.00 C ATOM 623 O PRO A 41 16.184 10.068 -13.925 1.00 0.00 O ATOM 624 CB PRO A 41 18.091 7.948 -15.245 1.00 0.00 C ATOM 625 CG PRO A 41 18.173 6.525 -14.811 1.00 0.00 C ATOM 626 CD PRO A 41 17.447 6.468 -13.493 1.00 0.00 C ATOM 0 HA PRO A 41 19.216 9.046 -13.726 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.156 8.151 -15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.900 8.201 -15.931 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.711 5.863 -15.543 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.210 6.206 -14.703 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.393 6.223 -13.625 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.870 5.711 -12.833 1.00 0.00 H new ATOM 634 N ARG A 42 18.133 11.162 -14.183 1.00 0.00 N ATOM 635 CA ARG A 42 17.527 12.487 -14.145 1.00 0.00 C ATOM 636 C ARG A 42 16.520 12.664 -15.274 1.00 0.00 C ATOM 637 O ARG A 42 15.457 13.257 -15.084 1.00 0.00 O ATOM 638 CB ARG A 42 18.568 13.596 -14.150 1.00 0.00 C ATOM 639 CG ARG A 42 19.410 13.689 -12.886 1.00 0.00 C ATOM 640 CD ARG A 42 20.206 14.937 -12.771 1.00 0.00 C ATOM 641 NE ARG A 42 21.234 15.092 -13.789 1.00 0.00 N ATOM 642 CZ ARG A 42 22.484 14.596 -13.695 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.876 13.947 -12.621 1.00 0.00 N ATOM 644 NH2 ARG A 42 23.313 14.800 -14.703 1.00 0.00 N ATOM 0 H ARG A 42 19.140 11.164 -14.345 1.00 0.00 H new ATOM 0 HA ARG A 42 16.989 12.565 -13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.232 13.447 -15.002 1.00 0.00 H new ATOM 0 HB3 ARG A 42 18.062 14.549 -14.303 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.753 13.610 -12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 42 20.087 12.836 -12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 42 19.530 15.790 -12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 42 20.678 14.963 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 42 20.992 15.612 -14.632 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.231 13.812 -11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.825 13.578 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.001 15.320 -15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.265 14.437 -14.662 1.00 0.00 H new ATOM 658 N SER A 43 16.858 12.146 -16.450 1.00 0.00 N ATOM 659 CA SER A 43 15.974 12.226 -17.606 1.00 0.00 C ATOM 660 C SER A 43 14.756 11.327 -17.432 1.00 0.00 C ATOM 661 O SER A 43 13.676 11.622 -17.945 1.00 0.00 O ATOM 662 CB SER A 43 16.729 11.855 -18.867 1.00 0.00 C ATOM 663 OG SER A 43 17.129 10.512 -18.864 1.00 0.00 O ATOM 0 H SER A 43 17.740 11.665 -16.627 1.00 0.00 H new ATOM 0 HA SER A 43 15.621 13.254 -17.693 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.098 12.043 -19.736 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.606 12.494 -18.965 1.00 0.00 H new ATOM 0 HG SER A 43 17.611 10.312 -19.694 1.00 0.00 H new ATOM 669 N GLN A 44 14.937 10.229 -16.704 1.00 0.00 N ATOM 670 CA GLN A 44 13.833 9.332 -16.386 1.00 0.00 C ATOM 671 C GLN A 44 12.835 9.999 -15.448 1.00 0.00 C ATOM 672 O GLN A 44 11.624 9.837 -15.598 1.00 0.00 O ATOM 673 CB GLN A 44 14.358 8.042 -15.750 1.00 0.00 C ATOM 674 CG GLN A 44 13.285 7.002 -15.476 1.00 0.00 C ATOM 675 CD GLN A 44 12.608 6.521 -16.745 1.00 0.00 C ATOM 676 OE1 GLN A 44 13.270 6.218 -17.742 1.00 0.00 O ATOM 677 NE2 GLN A 44 11.282 6.450 -16.718 1.00 0.00 N ATOM 0 H GLN A 44 15.838 9.940 -16.324 1.00 0.00 H new ATOM 0 HA GLN A 44 13.322 9.090 -17.318 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.111 7.607 -16.407 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.857 8.289 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.731 6.151 -14.960 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.536 7.424 -14.806 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.774 6.710 -15.872 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.771 6.135 -17.543 1.00 0.00 H new ATOM 686 N ILE A 45 13.350 10.747 -14.478 1.00 0.00 N ATOM 687 CA ILE A 45 12.505 11.478 -13.542 1.00 0.00 C ATOM 688 C ILE A 45 11.595 12.457 -14.271 1.00 0.00 C ATOM 689 O ILE A 45 10.396 12.529 -13.996 1.00 0.00 O ATOM 690 CB ILE A 45 13.343 12.245 -12.504 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.059 11.268 -11.568 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.463 13.200 -11.711 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.104 11.919 -10.689 1.00 0.00 C ATOM 0 H ILE A 45 14.351 10.863 -14.320 1.00 0.00 H new ATOM 0 HA ILE A 45 11.895 10.737 -13.025 1.00 0.00 H new ATOM 0 HB ILE A 45 14.097 12.830 -13.031 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.319 10.778 -10.935 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.534 10.489 -12.165 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.071 13.734 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.999 13.915 -12.390 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.688 12.635 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.567 11.164 -10.054 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.866 12.385 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.633 12.678 -10.065 1.00 0.00 H new ATOM 705 N GLN A 46 12.169 13.211 -15.202 1.00 0.00 N ATOM 706 CA GLN A 46 11.428 14.238 -15.924 1.00 0.00 C ATOM 707 C GLN A 46 10.330 13.623 -16.783 1.00 0.00 C ATOM 708 O GLN A 46 9.257 14.204 -16.944 1.00 0.00 O ATOM 709 CB GLN A 46 12.371 15.064 -16.802 1.00 0.00 C ATOM 710 CG GLN A 46 13.330 15.948 -16.025 1.00 0.00 C ATOM 711 CD GLN A 46 14.284 16.704 -16.931 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.248 16.554 -18.156 1.00 0.00 O ATOM 713 NE2 GLN A 46 15.145 17.520 -16.334 1.00 0.00 N ATOM 0 H GLN A 46 13.148 13.130 -15.475 1.00 0.00 H new ATOM 0 HA GLN A 46 10.964 14.892 -15.186 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.948 14.388 -17.433 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.776 15.690 -17.467 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.760 16.660 -15.427 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.903 15.334 -15.330 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.139 17.613 -15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.812 18.054 -16.891 1.00 0.00 H new ATOM 722 N ARG A 47 10.605 12.446 -17.332 1.00 0.00 N ATOM 723 CA ARG A 47 9.700 11.813 -18.284 1.00 0.00 C ATOM 724 C ARG A 47 8.684 10.930 -17.573 1.00 0.00 C ATOM 725 O ARG A 47 7.627 10.616 -18.123 1.00 0.00 O ATOM 726 CB ARG A 47 10.447 11.045 -19.365 1.00 0.00 C ATOM 727 CG ARG A 47 11.336 11.897 -20.257 1.00 0.00 C ATOM 728 CD ARG A 47 10.597 12.747 -21.225 1.00 0.00 C ATOM 729 NE ARG A 47 11.445 13.542 -22.099 1.00 0.00 N ATOM 730 CZ ARG A 47 10.994 14.310 -23.110 1.00 0.00 C ATOM 731 NH1 ARG A 47 9.714 14.364 -23.403 1.00 0.00 N ATOM 732 NH2 ARG A 47 11.878 14.993 -23.817 1.00 0.00 N ATOM 0 H ARG A 47 11.449 11.909 -17.134 1.00 0.00 H new ATOM 0 HA ARG A 47 9.155 12.612 -18.787 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.061 10.280 -18.889 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.720 10.526 -19.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.955 12.537 -19.628 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.011 11.243 -20.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.961 12.109 -21.839 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.938 13.416 -20.672 1.00 0.00 H new ATOM 0 HE ARG A 47 12.451 13.516 -21.935 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.043 13.819 -22.861 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.391 14.951 -24.172 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.871 14.930 -23.591 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.567 15.583 -24.589 1.00 0.00 H new ATOM 746 N ALA A 48 9.009 10.530 -16.348 1.00 0.00 N ATOM 747 CA ALA A 48 8.159 9.619 -15.590 1.00 0.00 C ATOM 748 C ALA A 48 6.890 10.315 -15.116 1.00 0.00 C ATOM 749 O ALA A 48 6.907 11.500 -14.784 1.00 0.00 O ATOM 750 CB ALA A 48 8.925 9.043 -14.407 1.00 0.00 C ATOM 0 H ALA A 48 9.855 10.822 -15.859 1.00 0.00 H new ATOM 0 HA ALA A 48 7.866 8.803 -16.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.278 8.365 -13.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.797 8.498 -14.769 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.249 9.853 -13.754 1.00 0.00 H new ATOM 756 N ARG A 49 5.789 9.571 -15.086 1.00 0.00 N ATOM 757 CA ARG A 49 4.523 10.096 -14.591 1.00 0.00 C ATOM 758 C ARG A 49 4.481 10.084 -13.068 1.00 0.00 C ATOM 759 O ARG A 49 5.209 9.330 -12.422 1.00 0.00 O ATOM 760 CB ARG A 49 3.327 9.367 -15.186 1.00 0.00 C ATOM 761 CG ARG A 49 3.091 9.630 -16.665 1.00 0.00 C ATOM 762 CD ARG A 49 1.844 9.027 -17.203 1.00 0.00 C ATOM 763 NE ARG A 49 1.577 9.339 -18.597 1.00 0.00 N ATOM 764 CZ ARG A 49 0.473 8.958 -19.269 1.00 0.00 C ATOM 765 NH1 ARG A 49 -0.450 8.221 -18.691 1.00 0.00 N ATOM 766 NH2 ARG A 49 0.353 9.324 -20.533 1.00 0.00 N ATOM 0 H ARG A 49 5.749 8.601 -15.399 1.00 0.00 H new ATOM 0 HA ARG A 49 4.455 11.133 -14.920 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.463 8.295 -15.039 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.433 9.654 -14.633 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.060 10.707 -16.830 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.940 9.245 -17.230 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.901 7.944 -17.091 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.002 9.366 -16.600 1.00 0.00 H new ATOM 0 HE ARG A 49 2.275 9.885 -19.102 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.336 7.930 -17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.280 7.941 -19.213 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.085 9.880 -20.975 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.472 9.050 -21.067 1.00 0.00 H new ATOM 780 N PRO A 50 3.622 10.923 -12.499 1.00 0.00 N ATOM 781 CA PRO A 50 3.406 10.937 -11.057 1.00 0.00 C ATOM 782 C PRO A 50 2.937 9.577 -10.557 1.00 0.00 C ATOM 783 O PRO A 50 3.147 9.226 -9.396 1.00 0.00 O ATOM 784 CB PRO A 50 2.348 12.024 -10.847 1.00 0.00 C ATOM 785 CG PRO A 50 1.689 12.163 -12.178 1.00 0.00 C ATOM 786 CD PRO A 50 2.777 11.919 -13.188 1.00 0.00 C ATOM 0 HA PRO A 50 4.318 11.144 -10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.632 11.738 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.801 12.963 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.878 11.444 -12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.255 13.155 -12.300 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.381 11.537 -14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.328 12.830 -13.421 1.00 0.00 H new ATOM 794 N VAL A 51 2.302 8.815 -11.440 1.00 0.00 N ATOM 795 CA VAL A 51 1.894 7.452 -11.123 1.00 0.00 C ATOM 796 C VAL A 51 3.074 6.492 -11.199 1.00 0.00 C ATOM 797 O VAL A 51 3.231 5.616 -10.348 1.00 0.00 O ATOM 798 CB VAL A 51 0.783 6.959 -12.069 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.486 5.488 -11.823 1.00 0.00 C ATOM 800 CG2 VAL A 51 -0.478 7.792 -11.889 1.00 0.00 C ATOM 0 H VAL A 51 2.058 9.119 -12.383 1.00 0.00 H new ATOM 0 HA VAL A 51 1.509 7.470 -10.104 1.00 0.00 H new ATOM 0 HB VAL A 51 1.130 7.074 -13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.301 5.158 -12.500 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.387 4.900 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.159 5.350 -10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.253 7.430 -12.565 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.826 7.707 -10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.259 8.836 -12.113 1.00 0.00 H new ATOM 810 N LYS A 52 3.902 6.660 -12.226 1.00 0.00 N ATOM 811 CA LYS A 52 5.051 5.787 -12.434 1.00 0.00 C ATOM 812 C LYS A 52 6.074 5.950 -11.316 1.00 0.00 C ATOM 813 O LYS A 52 6.652 4.970 -10.844 1.00 0.00 O ATOM 814 CB LYS A 52 5.702 6.073 -13.788 1.00 0.00 C ATOM 815 CG LYS A 52 4.881 5.623 -14.988 1.00 0.00 C ATOM 816 CD LYS A 52 5.625 5.870 -16.292 1.00 0.00 C ATOM 817 CE LYS A 52 4.798 5.435 -17.493 1.00 0.00 C ATOM 818 NZ LYS A 52 5.519 5.658 -18.776 1.00 0.00 N ATOM 0 H LYS A 52 3.798 7.393 -12.927 1.00 0.00 H new ATOM 0 HA LYS A 52 4.695 4.757 -12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.886 7.144 -13.870 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.673 5.579 -13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.649 4.562 -14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.931 6.157 -15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.868 6.929 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.570 5.326 -16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.547 4.379 -17.397 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.858 5.986 -17.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.921 5.349 -19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.736 6.670 -18.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.404 5.112 -18.776 1.00 0.00 H new ATOM 832 N MET A 53 6.294 7.191 -10.898 1.00 0.00 N ATOM 833 CA MET A 53 7.303 7.491 -9.889 1.00 0.00 C ATOM 834 C MET A 53 6.973 6.820 -8.562 1.00 0.00 C ATOM 835 O MET A 53 7.867 6.490 -7.782 1.00 0.00 O ATOM 836 CB MET A 53 7.427 9.002 -9.699 1.00 0.00 C ATOM 837 CG MET A 53 8.105 9.728 -10.853 1.00 0.00 C ATOM 838 SD MET A 53 9.784 9.139 -11.153 1.00 0.00 S ATOM 839 CE MET A 53 10.608 9.692 -9.662 1.00 0.00 C ATOM 0 H MET A 53 5.787 8.006 -11.242 1.00 0.00 H new ATOM 0 HA MET A 53 8.257 7.096 -10.239 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.431 9.421 -9.557 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.987 9.196 -8.784 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.511 9.598 -11.758 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.132 10.797 -10.640 1.00 0.00 H new ATOM 0 HE1 MET A 53 11.471 10.303 -9.928 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.916 10.283 -9.062 1.00 0.00 H new ATOM 0 HE3 MET A 53 10.940 8.827 -9.087 1.00 0.00 H new ATOM 849 N ALA A 54 5.684 6.619 -8.311 1.00 0.00 N ATOM 850 CA ALA A 54 5.234 5.961 -7.090 1.00 0.00 C ATOM 851 C ALA A 54 5.840 4.569 -6.960 1.00 0.00 C ATOM 852 O ALA A 54 6.167 4.125 -5.859 1.00 0.00 O ATOM 853 CB ALA A 54 3.715 5.886 -7.057 1.00 0.00 C ATOM 0 H ALA A 54 4.931 6.903 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 54 5.573 6.555 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.395 5.392 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.300 6.893 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.360 5.319 -7.917 1.00 0.00 H new ATOM 859 N THR A 55 5.988 3.886 -8.090 1.00 0.00 N ATOM 860 CA THR A 55 6.579 2.554 -8.108 1.00 0.00 C ATOM 861 C THR A 55 8.093 2.624 -8.266 1.00 0.00 C ATOM 862 O THR A 55 8.828 1.859 -7.639 1.00 0.00 O ATOM 863 CB THR A 55 5.995 1.691 -9.242 1.00 0.00 C ATOM 864 OG1 THR A 55 4.580 1.550 -9.058 1.00 0.00 O ATOM 865 CG2 THR A 55 6.641 0.314 -9.252 1.00 0.00 C ATOM 0 H THR A 55 5.706 4.234 -9.006 1.00 0.00 H new ATOM 0 HA THR A 55 6.338 2.092 -7.151 1.00 0.00 H new ATOM 0 HB THR A 55 6.198 2.183 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.209 1.002 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.216 -0.282 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.715 0.417 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.455 -0.182 -8.299 1.00 0.00 H new ATOM 873 N LEU A 56 8.553 3.544 -9.105 1.00 0.00 N ATOM 874 CA LEU A 56 9.975 3.670 -9.400 1.00 0.00 C ATOM 875 C LEU A 56 10.775 3.970 -8.138 1.00 0.00 C ATOM 876 O LEU A 56 11.823 3.370 -7.899 1.00 0.00 O ATOM 877 CB LEU A 56 10.204 4.765 -10.449 1.00 0.00 C ATOM 878 CG LEU A 56 9.656 4.455 -11.848 1.00 0.00 C ATOM 879 CD1 LEU A 56 9.743 5.693 -12.730 1.00 0.00 C ATOM 880 CD2 LEU A 56 10.440 3.301 -12.457 1.00 0.00 C ATOM 0 H LEU A 56 7.961 4.215 -9.594 1.00 0.00 H new ATOM 0 HA LEU A 56 10.323 2.718 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.746 5.688 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.275 4.951 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 56 8.608 4.165 -11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.352 5.462 -13.721 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.157 6.498 -12.287 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.783 6.007 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.050 3.081 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.492 3.576 -12.532 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.340 2.419 -11.824 1.00 0.00 H new ATOM 892 N LEU A 57 10.274 4.901 -7.334 1.00 0.00 N ATOM 893 CA LEU A 57 10.953 5.300 -6.107 1.00 0.00 C ATOM 894 C LEU A 57 11.055 4.135 -5.130 1.00 0.00 C ATOM 895 O LEU A 57 12.071 3.963 -4.457 1.00 0.00 O ATOM 896 CB LEU A 57 10.223 6.481 -5.456 1.00 0.00 C ATOM 897 CG LEU A 57 10.275 7.795 -6.244 1.00 0.00 C ATOM 898 CD1 LEU A 57 9.298 8.800 -5.649 1.00 0.00 C ATOM 899 CD2 LEU A 57 11.693 8.345 -6.223 1.00 0.00 C ATOM 0 H LEU A 57 9.399 5.394 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 57 11.965 5.610 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.179 6.205 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.650 6.651 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 57 9.986 7.610 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.342 9.730 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.287 8.395 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.564 8.995 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.729 9.279 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.997 8.528 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.370 7.622 -6.678 1.00 0.00 H new ATOM 911 N VAL A 58 9.995 3.336 -5.058 1.00 0.00 N ATOM 912 CA VAL A 58 9.989 2.145 -4.215 1.00 0.00 C ATOM 913 C VAL A 58 10.957 1.094 -4.742 1.00 0.00 C ATOM 914 O VAL A 58 11.561 0.349 -3.969 1.00 0.00 O ATOM 915 CB VAL A 58 8.581 1.530 -4.117 1.00 0.00 C ATOM 916 CG1 VAL A 58 8.636 0.185 -3.408 1.00 0.00 C ATOM 917 CG2 VAL A 58 7.636 2.474 -3.392 1.00 0.00 C ATOM 0 H VAL A 58 9.129 3.492 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 58 10.307 2.461 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 58 8.203 1.373 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.632 -0.236 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.281 -0.494 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.034 0.320 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.646 2.023 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.010 2.662 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.573 3.416 -3.937 1.00 0.00 H new ATOM 927 N THR A 59 11.102 1.038 -6.062 1.00 0.00 N ATOM 928 CA THR A 59 11.955 0.041 -6.698 1.00 0.00 C ATOM 929 C THR A 59 13.426 0.307 -6.404 1.00 0.00 C ATOM 930 O THR A 59 14.164 -0.598 -6.015 1.00 0.00 O ATOM 931 CB THR A 59 11.745 0.008 -8.222 1.00 0.00 C ATOM 932 OG1 THR A 59 10.397 -0.383 -8.514 1.00 0.00 O ATOM 933 CG2 THR A 59 12.706 -0.977 -8.872 1.00 0.00 C ATOM 0 H THR A 59 10.639 1.672 -6.713 1.00 0.00 H new ATOM 0 HA THR A 59 11.673 -0.926 -6.281 1.00 0.00 H new ATOM 0 HB THR A 59 11.936 1.004 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.783 0.331 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.543 -0.987 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.732 -0.676 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.532 -1.975 -8.469 1.00 0.00 H new ATOM 941 N TYR A 60 13.846 1.553 -6.591 1.00 0.00 N ATOM 942 CA TYR A 60 15.265 1.888 -6.620 1.00 0.00 C ATOM 943 C TYR A 60 15.754 2.331 -5.247 1.00 0.00 C ATOM 944 O TYR A 60 16.917 2.132 -4.898 1.00 0.00 O ATOM 945 CB TYR A 60 15.535 2.983 -7.653 1.00 0.00 C ATOM 946 CG TYR A 60 15.351 2.535 -9.086 1.00 0.00 C ATOM 947 CD1 TYR A 60 16.277 1.701 -9.695 1.00 0.00 C ATOM 948 CD2 TYR A 60 14.252 2.948 -9.826 1.00 0.00 C ATOM 949 CE1 TYR A 60 16.114 1.288 -11.003 1.00 0.00 C ATOM 950 CE2 TYR A 60 14.079 2.541 -11.135 1.00 0.00 C ATOM 951 CZ TYR A 60 15.013 1.710 -11.720 1.00 0.00 C ATOM 952 OH TYR A 60 14.847 1.303 -13.023 1.00 0.00 O ATOM 0 H TYR A 60 13.223 2.349 -6.725 1.00 0.00 H new ATOM 0 HA TYR A 60 15.814 0.990 -6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.870 3.824 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.555 3.346 -7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.140 1.369 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.520 3.598 -9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.844 0.638 -11.462 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.218 2.871 -11.697 1.00 0.00 H new ATOM 0 HH TYR A 60 14.021 1.688 -13.383 1.00 0.00 H new ATOM 962 N TYR A 61 14.858 2.933 -4.472 1.00 0.00 N ATOM 963 CA TYR A 61 15.206 3.434 -3.147 1.00 0.00 C ATOM 964 C TYR A 61 14.598 2.566 -2.053 1.00 0.00 C ATOM 965 O TYR A 61 15.289 2.146 -1.125 1.00 0.00 O ATOM 966 CB TYR A 61 14.743 4.884 -2.985 1.00 0.00 C ATOM 967 CG TYR A 61 15.322 5.831 -4.013 1.00 0.00 C ATOM 968 CD1 TYR A 61 16.626 6.288 -3.903 1.00 0.00 C ATOM 969 CD2 TYR A 61 14.562 6.266 -5.089 1.00 0.00 C ATOM 970 CE1 TYR A 61 17.161 7.153 -4.838 1.00 0.00 C ATOM 971 CE2 TYR A 61 15.087 7.131 -6.030 1.00 0.00 C ATOM 972 CZ TYR A 61 16.388 7.573 -5.900 1.00 0.00 C ATOM 973 OH TYR A 61 16.915 8.435 -6.834 1.00 0.00 O ATOM 0 H TYR A 61 13.885 3.086 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 61 16.291 3.395 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.655 4.917 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.016 5.233 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.234 5.962 -3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.543 5.923 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 61 18.179 7.498 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.483 7.459 -6.863 1.00 0.00 H new ATOM 0 HH TYR A 61 17.586 9.008 -6.408 1.00 0.00 H new ATOM 983 N GLY A 62 13.301 2.302 -2.166 1.00 0.00 N ATOM 984 CA GLY A 62 12.611 1.432 -1.221 1.00 0.00 C ATOM 985 C GLY A 62 11.324 2.074 -0.722 1.00 0.00 C ATOM 986 O GLY A 62 11.076 3.258 -0.956 1.00 0.00 O ATOM 0 H GLY A 62 12.706 2.679 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.384 0.479 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.265 1.217 -0.376 1.00 0.00 H new ATOM 990 N GLU A 63 10.505 1.288 -0.032 1.00 0.00 N ATOM 991 CA GLU A 63 9.180 1.736 0.384 1.00 0.00 C ATOM 992 C GLU A 63 9.273 2.951 1.298 1.00 0.00 C ATOM 993 O GLU A 63 8.584 3.950 1.089 1.00 0.00 O ATOM 994 CB GLU A 63 8.428 0.605 1.088 1.00 0.00 C ATOM 995 CG GLU A 63 7.999 -0.532 0.171 1.00 0.00 C ATOM 996 CD GLU A 63 7.388 -1.662 0.952 1.00 0.00 C ATOM 997 OE1 GLU A 63 7.379 -1.591 2.157 1.00 0.00 O ATOM 998 OE2 GLU A 63 6.831 -2.545 0.342 1.00 0.00 O ATOM 0 H GLU A 63 10.735 0.336 0.252 1.00 0.00 H new ATOM 0 HA GLU A 63 8.629 2.023 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.062 0.200 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.543 1.019 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.280 -0.161 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.861 -0.897 -0.387 1.00 0.00 H new ATOM 1005 N GLU A 64 10.127 2.861 2.311 1.00 0.00 N ATOM 1006 CA GLU A 64 10.256 3.921 3.302 1.00 0.00 C ATOM 1007 C GLU A 64 11.035 5.105 2.744 1.00 0.00 C ATOM 1008 O GLU A 64 10.629 6.258 2.901 1.00 0.00 O ATOM 1009 CB GLU A 64 10.936 3.393 4.567 1.00 0.00 C ATOM 1010 CG GLU A 64 10.098 2.408 5.369 1.00 0.00 C ATOM 1011 CD GLU A 64 10.868 1.857 6.536 1.00 0.00 C ATOM 1012 OE1 GLU A 64 12.017 2.201 6.680 1.00 0.00 O ATOM 1013 OE2 GLU A 64 10.278 1.184 7.348 1.00 0.00 O ATOM 0 H GLU A 64 10.742 2.062 2.467 1.00 0.00 H new ATOM 0 HA GLU A 64 9.253 4.263 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.872 2.910 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.192 4.238 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.196 2.903 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.778 1.590 4.723 1.00 0.00 H new ATOM 1020 N TYR A 65 12.155 4.815 2.092 1.00 0.00 N ATOM 1021 CA TYR A 65 13.037 5.859 1.583 1.00 0.00 C ATOM 1022 C TYR A 65 12.359 6.667 0.485 1.00 0.00 C ATOM 1023 O TYR A 65 12.598 7.866 0.345 1.00 0.00 O ATOM 1024 CB TYR A 65 14.339 5.250 1.058 1.00 0.00 C ATOM 1025 CG TYR A 65 15.467 6.248 0.910 1.00 0.00 C ATOM 1026 CD1 TYR A 65 15.486 7.418 1.655 1.00 0.00 C ATOM 1027 CD2 TYR A 65 16.510 6.015 0.026 1.00 0.00 C ATOM 1028 CE1 TYR A 65 16.513 8.333 1.522 1.00 0.00 C ATOM 1029 CE2 TYR A 65 17.543 6.922 -0.114 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.540 8.081 0.637 1.00 0.00 C ATOM 1031 OH TYR A 65 18.567 8.987 0.502 1.00 0.00 O ATOM 0 H TYR A 65 12.474 3.865 1.903 1.00 0.00 H new ATOM 0 HA TYR A 65 13.267 6.532 2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.656 4.456 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.148 4.787 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 65 14.684 7.617 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.515 5.110 -0.563 1.00 0.00 H new ATOM 0 HE1 TYR A 65 16.511 9.240 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 65 18.348 6.726 -0.807 1.00 0.00 H new ATOM 0 HH TYR A 65 18.701 9.458 1.351 1.00 0.00 H new ATOM 1041 N ALA A 66 11.510 6.003 -0.293 1.00 0.00 N ATOM 1042 CA ALA A 66 10.723 6.677 -1.318 1.00 0.00 C ATOM 1043 C ALA A 66 9.851 7.770 -0.713 1.00 0.00 C ATOM 1044 O ALA A 66 9.766 8.876 -1.248 1.00 0.00 O ATOM 1045 CB ALA A 66 9.868 5.672 -2.076 1.00 0.00 C ATOM 0 H ALA A 66 11.350 4.997 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 66 11.413 7.148 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.286 6.191 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.512 4.932 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.193 5.172 -1.382 1.00 0.00 H new ATOM 1051 N VAL A 67 9.206 7.455 0.405 1.00 0.00 N ATOM 1052 CA VAL A 67 8.358 8.418 1.098 1.00 0.00 C ATOM 1053 C VAL A 67 9.183 9.558 1.680 1.00 0.00 C ATOM 1054 O VAL A 67 8.776 10.719 1.633 1.00 0.00 O ATOM 1055 CB VAL A 67 7.552 7.751 2.227 1.00 0.00 C ATOM 1056 CG1 VAL A 67 6.853 8.804 3.075 1.00 0.00 C ATOM 1057 CG2 VAL A 67 6.539 6.772 1.654 1.00 0.00 C ATOM 0 H VAL A 67 9.254 6.539 0.851 1.00 0.00 H new ATOM 0 HA VAL A 67 7.665 8.817 0.357 1.00 0.00 H new ATOM 0 HB VAL A 67 8.243 7.198 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.288 8.315 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.596 9.469 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.174 9.383 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.979 6.310 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.852 7.303 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.060 6.000 1.088 1.00 0.00 H new ATOM 1067 N GLN A 68 10.345 9.221 2.230 1.00 0.00 N ATOM 1068 CA GLN A 68 11.219 10.213 2.846 1.00 0.00 C ATOM 1069 C GLN A 68 11.750 11.196 1.811 1.00 0.00 C ATOM 1070 O GLN A 68 11.822 12.399 2.063 1.00 0.00 O ATOM 1071 CB GLN A 68 12.389 9.529 3.557 1.00 0.00 C ATOM 1072 CG GLN A 68 11.997 8.774 4.815 1.00 0.00 C ATOM 1073 CD GLN A 68 13.171 8.048 5.445 1.00 0.00 C ATOM 1074 OE1 GLN A 68 14.282 8.051 4.906 1.00 0.00 O ATOM 1075 NE2 GLN A 68 12.933 7.420 6.591 1.00 0.00 N ATOM 0 H GLN A 68 10.704 8.267 2.262 1.00 0.00 H new ATOM 0 HA GLN A 68 10.629 10.766 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.865 8.835 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.133 10.282 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.575 9.472 5.538 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.215 8.054 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.999 7.444 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.684 6.914 7.061 1.00 0.00 H new ATOM 1084 N LEU A 69 12.122 10.677 0.645 1.00 0.00 N ATOM 1085 CA LEU A 69 12.664 11.507 -0.424 1.00 0.00 C ATOM 1086 C LEU A 69 11.593 12.414 -1.015 1.00 0.00 C ATOM 1087 O LEU A 69 11.816 13.610 -1.207 1.00 0.00 O ATOM 1088 CB LEU A 69 13.280 10.625 -1.517 1.00 0.00 C ATOM 1089 CG LEU A 69 14.601 9.942 -1.139 1.00 0.00 C ATOM 1090 CD1 LEU A 69 15.000 8.942 -2.217 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.683 10.995 -0.954 1.00 0.00 C ATOM 0 H LEU A 69 12.058 9.685 0.417 1.00 0.00 H new ATOM 0 HA LEU A 69 13.442 12.141 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.558 9.856 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.447 11.236 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 69 14.475 9.400 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.939 8.463 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.222 8.185 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.125 9.462 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.621 10.509 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.814 11.549 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.390 11.682 -0.160 1.00 0.00 H new ATOM 1103 N THR A 70 10.431 11.839 -1.303 1.00 0.00 N ATOM 1104 CA THR A 70 9.312 12.602 -1.844 1.00 0.00 C ATOM 1105 C THR A 70 8.876 13.698 -0.882 1.00 0.00 C ATOM 1106 O THR A 70 8.583 14.820 -1.295 1.00 0.00 O ATOM 1107 CB THR A 70 8.106 11.694 -2.151 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.487 10.697 -3.108 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.952 12.513 -2.710 1.00 0.00 C ATOM 0 H THR A 70 10.239 10.846 -1.171 1.00 0.00 H new ATOM 0 HA THR A 70 9.661 13.055 -2.772 1.00 0.00 H new ATOM 0 HB THR A 70 7.785 11.216 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.969 9.975 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.108 11.856 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.652 13.265 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.267 13.006 -3.630 1.00 0.00 H new ATOM 1117 N LEU A 71 8.836 13.369 0.405 1.00 0.00 N ATOM 1118 CA LEU A 71 8.504 14.344 1.437 1.00 0.00 C ATOM 1119 C LEU A 71 9.525 15.474 1.474 1.00 0.00 C ATOM 1120 O LEU A 71 9.164 16.648 1.563 1.00 0.00 O ATOM 1121 CB LEU A 71 8.415 13.659 2.805 1.00 0.00 C ATOM 1122 CG LEU A 71 7.734 14.483 3.905 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.499 13.618 5.136 1.00 0.00 C ATOM 1124 CD2 LEU A 71 8.599 15.686 4.249 1.00 0.00 C ATOM 0 H LEU A 71 9.030 12.432 0.759 1.00 0.00 H new ATOM 0 HA LEU A 71 7.533 14.776 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.874 12.720 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.423 13.407 3.134 1.00 0.00 H new ATOM 0 HG LEU A 71 6.767 14.837 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.015 14.212 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.859 12.776 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.454 13.246 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.114 16.271 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.573 15.345 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.731 16.305 3.362 1.00 0.00 H new ATOM 1136 N GLN A 72 10.802 15.113 1.408 1.00 0.00 N ATOM 1137 CA GLN A 72 11.879 16.094 1.470 1.00 0.00 C ATOM 1138 C GLN A 72 11.781 17.093 0.325 1.00 0.00 C ATOM 1139 O GLN A 72 12.003 18.291 0.513 1.00 0.00 O ATOM 1140 CB GLN A 72 13.242 15.396 1.432 1.00 0.00 C ATOM 1141 CG GLN A 72 14.427 16.336 1.580 1.00 0.00 C ATOM 1142 CD GLN A 72 14.452 17.025 2.931 1.00 0.00 C ATOM 1143 OE1 GLN A 72 14.267 16.388 3.973 1.00 0.00 O ATOM 1144 NE2 GLN A 72 14.678 18.334 2.922 1.00 0.00 N ATOM 0 H GLN A 72 11.117 14.148 1.312 1.00 0.00 H new ATOM 0 HA GLN A 72 11.779 16.636 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.280 14.653 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.336 14.857 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.352 15.775 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.391 17.088 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.826 18.820 2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.704 18.853 3.800 1.00 0.00 H new ATOM 1153 N VAL A 73 11.447 16.596 -0.861 1.00 0.00 N ATOM 1154 CA VAL A 73 11.331 17.443 -2.041 1.00 0.00 C ATOM 1155 C VAL A 73 10.103 18.340 -1.958 1.00 0.00 C ATOM 1156 O VAL A 73 10.151 19.513 -2.332 1.00 0.00 O ATOM 1157 CB VAL A 73 11.258 16.607 -3.332 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.954 17.497 -4.528 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.558 15.849 -3.552 1.00 0.00 C ATOM 0 H VAL A 73 11.252 15.609 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 73 12.227 18.063 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 73 10.450 15.883 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.906 16.889 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.997 17.997 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.740 18.244 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.487 15.264 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.382 16.557 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.737 15.182 -2.709 1.00 0.00 H new ATOM 1169 N LEU A 74 9.002 17.783 -1.466 1.00 0.00 N ATOM 1170 CA LEU A 74 7.788 18.557 -1.237 1.00 0.00 C ATOM 1171 C LEU A 74 7.998 19.602 -0.149 1.00 0.00 C ATOM 1172 O LEU A 74 7.406 20.680 -0.189 1.00 0.00 O ATOM 1173 CB LEU A 74 6.628 17.625 -0.864 1.00 0.00 C ATOM 1174 CG LEU A 74 6.117 16.731 -2.002 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.081 15.750 -1.471 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.525 17.597 -3.103 1.00 0.00 C ATOM 0 H LEU A 74 8.925 16.797 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 74 7.540 19.079 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.945 16.989 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.799 18.231 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 74 6.948 16.159 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.725 15.120 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.533 15.125 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.243 16.301 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.162 16.961 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.697 18.181 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.291 18.271 -3.487 1.00 0.00 H new ATOM 1188 N ARG A 75 8.845 19.276 0.821 1.00 0.00 N ATOM 1189 CA ARG A 75 9.243 20.237 1.844 1.00 0.00 C ATOM 1190 C ARG A 75 10.034 21.389 1.238 1.00 0.00 C ATOM 1191 O ARG A 75 9.924 22.531 1.686 1.00 0.00 O ATOM 1192 CB ARG A 75 10.006 19.577 2.984 1.00 0.00 C ATOM 1193 CG ARG A 75 10.391 20.511 4.120 1.00 0.00 C ATOM 1194 CD ARG A 75 11.019 19.834 5.283 1.00 0.00 C ATOM 1195 NE ARG A 75 11.432 20.731 6.352 1.00 0.00 N ATOM 1196 CZ ARG A 75 12.096 20.346 7.459 1.00 0.00 C ATOM 1197 NH1 ARG A 75 12.391 19.081 7.666 1.00 0.00 N ATOM 1198 NH2 ARG A 75 12.423 21.272 8.344 1.00 0.00 N ATOM 0 H ARG A 75 9.269 18.354 0.921 1.00 0.00 H new ATOM 0 HA ARG A 75 8.329 20.648 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.398 18.768 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.912 19.125 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.080 21.264 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.499 21.038 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.315 19.107 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.889 19.277 4.937 1.00 0.00 H new ATOM 0 HE ARG A 75 11.203 21.720 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.116 18.375 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.894 18.806 8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.172 22.247 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.926 21.012 9.192 1.00 0.00 H new ATOM 1212 N ALA A 76 10.829 21.085 0.219 1.00 0.00 N ATOM 1213 CA ALA A 76 11.660 22.091 -0.432 1.00 0.00 C ATOM 1214 C ALA A 76 10.806 23.132 -1.146 1.00 0.00 C ATOM 1215 O ALA A 76 11.242 24.262 -1.364 1.00 0.00 O ATOM 1216 CB ALA A 76 12.624 21.431 -1.407 1.00 0.00 C ATOM 0 H ALA A 76 10.916 20.148 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 76 12.237 22.603 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.238 22.195 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.266 20.734 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.060 20.891 -2.167 1.00 0.00 H new ATOM 1222 N ILE A 77 9.588 22.744 -1.508 1.00 0.00 N ATOM 1223 CA ILE A 77 8.682 23.633 -2.224 1.00 0.00 C ATOM 1224 C ILE A 77 7.556 24.116 -1.319 1.00 0.00 C ATOM 1225 O ILE A 77 6.561 24.668 -1.790 1.00 0.00 O ATOM 1226 CB ILE A 77 8.075 22.947 -3.462 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.232 21.740 -3.043 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.172 22.524 -4.427 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.379 21.175 -4.156 1.00 0.00 C ATOM 0 H ILE A 77 9.205 21.818 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 77 9.274 24.488 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 77 7.427 23.660 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.894 20.957 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.586 22.030 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.726 22.041 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.733 23.402 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.845 21.826 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.811 20.323 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.691 21.942 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.019 20.852 -4.977 1.00 0.00 H new ATOM 1241 N ASN A 78 7.718 23.905 -0.017 1.00 0.00 N ATOM 1242 CA ASN A 78 6.797 24.458 0.969 1.00 0.00 C ATOM 1243 C ASN A 78 5.405 23.859 0.817 1.00 0.00 C ATOM 1244 O ASN A 78 4.401 24.559 0.949 1.00 0.00 O ATOM 1245 CB ASN A 78 6.731 25.971 0.879 1.00 0.00 C ATOM 1246 CG ASN A 78 7.991 26.660 1.323 1.00 0.00 C ATOM 1247 OD1 ASN A 78 8.761 26.128 2.132 1.00 0.00 O ATOM 1248 ND2 ASN A 78 8.164 27.873 0.862 1.00 0.00 N ATOM 0 H ASN A 78 8.479 23.354 0.380 1.00 0.00 H new ATOM 0 HA ASN A 78 7.181 24.193 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.516 26.255 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.900 26.326 1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.964 28.426 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.499 28.265 0.196 1.00 0.00 H new ATOM 1255 N GLN A 79 5.351 22.560 0.542 1.00 0.00 N ATOM 1256 CA GLN A 79 4.083 21.845 0.471 1.00 0.00 C ATOM 1257 C GLN A 79 3.768 21.149 1.788 1.00 0.00 C ATOM 1258 O GLN A 79 4.116 19.985 1.985 1.00 0.00 O ATOM 1259 CB GLN A 79 4.113 20.815 -0.664 1.00 0.00 C ATOM 1260 CG GLN A 79 2.777 20.141 -0.926 1.00 0.00 C ATOM 1261 CD GLN A 79 1.722 21.117 -1.412 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.989 21.971 -2.262 1.00 0.00 O ATOM 1263 NE2 GLN A 79 0.515 21.001 -0.870 1.00 0.00 N ATOM 0 H GLN A 79 6.172 21.981 0.365 1.00 0.00 H new ATOM 0 HA GLN A 79 3.300 22.577 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.445 21.307 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.853 20.051 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.910 19.354 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.430 19.661 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.337 20.280 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.234 21.632 -1.154 1.00 0.00 H new ATOM 1272 N ARG A 80 3.107 21.868 2.687 1.00 0.00 N ATOM 1273 CA ARG A 80 2.875 21.378 4.041 1.00 0.00 C ATOM 1274 C ARG A 80 1.879 20.225 4.046 1.00 0.00 C ATOM 1275 O ARG A 80 2.038 19.258 4.791 1.00 0.00 O ATOM 1276 CB ARG A 80 2.445 22.488 4.989 1.00 0.00 C ATOM 1277 CG ARG A 80 3.557 23.439 5.404 1.00 0.00 C ATOM 1278 CD ARG A 80 3.132 24.502 6.350 1.00 0.00 C ATOM 1279 NE ARG A 80 4.212 25.347 6.833 1.00 0.00 N ATOM 1280 CZ ARG A 80 4.059 26.360 7.709 1.00 0.00 C ATOM 1281 NH1 ARG A 80 2.871 26.681 8.172 1.00 0.00 N ATOM 1282 NH2 ARG A 80 5.133 27.038 8.073 1.00 0.00 N ATOM 0 H ARG A 80 2.721 22.794 2.503 1.00 0.00 H new ATOM 0 HA ARG A 80 3.828 21.000 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.651 23.065 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.019 22.037 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.360 22.862 5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.970 23.908 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.388 25.130 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.643 24.035 7.205 1.00 0.00 H new ATOM 0 HE ARG A 80 5.152 25.160 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.048 26.161 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.773 27.450 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.046 26.789 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.049 27.810 8.734 1.00 0.00 H new ATOM 1296 N LEU A 81 0.851 20.335 3.211 1.00 0.00 N ATOM 1297 CA LEU A 81 -0.230 19.356 3.194 1.00 0.00 C ATOM 1298 C LEU A 81 0.296 17.960 2.880 1.00 0.00 C ATOM 1299 O LEU A 81 0.133 17.032 3.672 1.00 0.00 O ATOM 1300 CB LEU A 81 -1.299 19.764 2.175 1.00 0.00 C ATOM 1301 CG LEU A 81 -2.442 18.759 1.988 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -3.216 18.599 3.289 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -3.359 19.232 0.870 1.00 0.00 C ATOM 0 H LEU A 81 0.744 21.093 2.537 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.679 19.331 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.724 20.720 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.816 19.924 1.211 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.029 17.788 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.025 17.883 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.546 18.237 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.632 19.562 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.171 18.517 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.773 20.207 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.791 19.311 -0.057 1.00 0.00 H new ATOM 1315 N LEU A 82 0.928 17.819 1.720 1.00 0.00 N ATOM 1316 CA LEU A 82 1.364 16.514 1.239 1.00 0.00 C ATOM 1317 C LEU A 82 2.553 16.000 2.041 1.00 0.00 C ATOM 1318 O LEU A 82 2.769 14.793 2.145 1.00 0.00 O ATOM 1319 CB LEU A 82 1.718 16.588 -0.251 1.00 0.00 C ATOM 1320 CG LEU A 82 0.541 16.886 -1.188 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.033 17.009 -2.624 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.497 15.780 -1.067 1.00 0.00 C ATOM 0 H LEU A 82 1.150 18.594 1.095 1.00 0.00 H new ATOM 0 HA LEU A 82 0.540 15.813 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.476 17.359 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.168 15.641 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 82 0.081 17.832 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.189 17.221 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.758 17.820 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.504 16.075 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.334 15.992 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.046 14.826 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.856 15.728 -0.039 1.00 0.00 H new ATOM 1334 N ALA A 83 3.321 16.925 2.608 1.00 0.00 N ATOM 1335 CA ALA A 83 4.424 16.567 3.492 1.00 0.00 C ATOM 1336 C ALA A 83 3.921 15.843 4.735 1.00 0.00 C ATOM 1337 O ALA A 83 4.500 14.843 5.159 1.00 0.00 O ATOM 1338 CB ALA A 83 5.214 17.808 3.882 1.00 0.00 C ATOM 0 H ALA A 83 3.199 17.928 2.471 1.00 0.00 H new ATOM 0 HA ALA A 83 5.083 15.887 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.034 17.525 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.616 18.280 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.558 18.509 4.398 1.00 0.00 H new ATOM 1344 N GLU A 84 2.839 16.353 5.313 1.00 0.00 N ATOM 1345 CA GLU A 84 2.207 15.709 6.459 1.00 0.00 C ATOM 1346 C GLU A 84 1.624 14.354 6.076 1.00 0.00 C ATOM 1347 O GLU A 84 1.717 13.391 6.836 1.00 0.00 O ATOM 1348 CB GLU A 84 1.112 16.606 7.041 1.00 0.00 C ATOM 1349 CG GLU A 84 0.371 16.004 8.226 1.00 0.00 C ATOM 1350 CD GLU A 84 -0.698 16.933 8.730 1.00 0.00 C ATOM 1351 OE1 GLU A 84 -0.759 18.046 8.267 1.00 0.00 O ATOM 1352 OE2 GLU A 84 -1.524 16.496 9.497 1.00 0.00 O ATOM 0 H GLU A 84 2.381 17.211 5.007 1.00 0.00 H new ATOM 0 HA GLU A 84 2.974 15.549 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.559 17.551 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.392 16.835 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.077 15.055 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.077 15.789 9.028 1.00 0.00 H new ATOM 1359 N GLU A 85 1.022 14.288 4.893 1.00 0.00 N ATOM 1360 CA GLU A 85 0.425 13.050 4.406 1.00 0.00 C ATOM 1361 C GLU A 85 1.472 11.954 4.257 1.00 0.00 C ATOM 1362 O GLU A 85 1.207 10.786 4.541 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.283 13.287 3.070 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.563 14.104 3.172 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.569 13.433 4.066 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -2.850 12.279 3.851 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -2.973 14.039 5.031 1.00 0.00 O ATOM 0 H GLU A 85 0.935 15.078 4.254 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.308 12.721 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.405 13.795 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.517 12.322 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.334 15.097 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.990 14.241 2.178 1.00 0.00 H new ATOM 1374 N LEU A 86 2.664 12.337 3.811 1.00 0.00 N ATOM 1375 CA LEU A 86 3.767 11.395 3.664 1.00 0.00 C ATOM 1376 C LEU A 86 4.397 11.072 5.012 1.00 0.00 C ATOM 1377 O LEU A 86 4.879 9.961 5.233 1.00 0.00 O ATOM 1378 CB LEU A 86 4.821 11.959 2.703 1.00 0.00 C ATOM 1379 CG LEU A 86 4.386 12.046 1.234 1.00 0.00 C ATOM 1380 CD1 LEU A 86 5.476 12.712 0.406 1.00 0.00 C ATOM 1381 CD2 LEU A 86 4.087 10.648 0.710 1.00 0.00 C ATOM 0 H LEU A 86 2.891 13.295 3.545 1.00 0.00 H new ATOM 0 HA LEU A 86 3.369 10.469 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.102 12.956 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.715 11.338 2.764 1.00 0.00 H new ATOM 0 HG LEU A 86 3.482 12.651 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.158 12.769 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.658 13.717 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.393 12.127 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.778 10.709 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.982 10.031 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.286 10.202 1.300 1.00 0.00 H new ATOM 1393 N HIS A 87 4.391 12.050 5.912 1.00 0.00 N ATOM 1394 CA HIS A 87 4.811 11.824 7.291 1.00 0.00 C ATOM 1395 C HIS A 87 3.935 10.779 7.969 1.00 0.00 C ATOM 1396 O HIS A 87 4.433 9.900 8.673 1.00 0.00 O ATOM 1397 CB HIS A 87 4.777 13.133 8.088 1.00 0.00 C ATOM 1398 CG HIS A 87 5.110 12.963 9.537 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.387 12.684 9.979 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.334 13.032 10.644 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.381 12.589 11.297 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.149 12.796 11.725 1.00 0.00 N ATOM 0 H HIS A 87 4.100 13.007 5.711 1.00 0.00 H new ATOM 0 HA HIS A 87 5.835 11.451 7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.480 13.838 7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.784 13.575 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.274 13.234 10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.238 12.378 11.919 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.851 12.783 12.700 1.00 0.00 H new ATOM 1410 N ARG A 88 2.628 10.878 7.753 1.00 0.00 N ATOM 1411 CA ARG A 88 1.683 9.928 8.326 1.00 0.00 C ATOM 1412 C ARG A 88 1.760 8.581 7.620 1.00 0.00 C ATOM 1413 O ARG A 88 1.511 7.537 8.224 1.00 0.00 O ATOM 1414 CB ARG A 88 0.261 10.470 8.338 1.00 0.00 C ATOM 1415 CG ARG A 88 0.045 11.681 9.231 1.00 0.00 C ATOM 1416 CD ARG A 88 -1.322 12.257 9.163 1.00 0.00 C ATOM 1417 NE ARG A 88 -1.490 13.501 9.897 1.00 0.00 N ATOM 1418 CZ ARG A 88 -1.699 13.583 11.225 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -1.804 12.500 11.962 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -1.819 14.784 11.764 1.00 0.00 N ATOM 0 H ARG A 88 2.199 11.608 7.184 1.00 0.00 H new ATOM 0 HA ARG A 88 1.971 9.777 9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.020 10.734 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.412 9.675 8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.256 11.399 10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.765 12.452 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.578 12.429 8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.031 11.524 9.548 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.447 14.373 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.727 11.579 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.962 12.580 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.753 15.615 11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.978 14.879 12.767 1.00 0.00 H new ATOM 1434 N ALA A 89 2.106 8.609 6.337 1.00 0.00 N ATOM 1435 CA ALA A 89 2.364 7.386 5.586 1.00 0.00 C ATOM 1436 C ALA A 89 3.604 6.671 6.106 1.00 0.00 C ATOM 1437 O ALA A 89 3.625 5.446 6.219 1.00 0.00 O ATOM 1438 CB ALA A 89 2.509 7.697 4.104 1.00 0.00 C ATOM 0 H ALA A 89 2.214 9.466 5.795 1.00 0.00 H new ATOM 0 HA ALA A 89 1.513 6.719 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.701 6.775 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.590 8.153 3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.340 8.387 3.957 1.00 0.00 H new ATOM 1444 N ALA A 90 4.637 7.445 6.421 1.00 0.00 N ATOM 1445 CA ALA A 90 5.873 6.889 6.959 1.00 0.00 C ATOM 1446 C ALA A 90 5.642 6.250 8.323 1.00 0.00 C ATOM 1447 O ALA A 90 6.281 5.256 8.669 1.00 0.00 O ATOM 1448 CB ALA A 90 6.944 7.967 7.050 1.00 0.00 C ATOM 0 H ALA A 90 4.643 8.459 6.313 1.00 0.00 H new ATOM 0 HA ALA A 90 6.217 6.110 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.860 7.536 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.139 8.371 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.600 8.767 7.705 1.00 0.00 H new ATOM 1454 N ILE A 91 4.726 6.826 9.093 1.00 0.00 N ATOM 1455 CA ILE A 91 4.318 6.243 10.365 1.00 0.00 C ATOM 1456 C ILE A 91 3.640 4.894 10.161 1.00 0.00 C ATOM 1457 O ILE A 91 3.849 3.960 10.934 1.00 0.00 O ATOM 1458 CB ILE A 91 3.364 7.175 11.135 1.00 0.00 C ATOM 1459 CG1 ILE A 91 4.107 8.430 11.603 1.00 0.00 C ATOM 1460 CG2 ILE A 91 2.745 6.446 12.317 1.00 0.00 C ATOM 1461 CD1 ILE A 91 3.196 9.520 12.122 1.00 0.00 C ATOM 0 H ILE A 91 4.251 7.698 8.858 1.00 0.00 H new ATOM 0 HA ILE A 91 5.226 6.104 10.951 1.00 0.00 H new ATOM 0 HB ILE A 91 2.561 7.480 10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.811 8.153 12.388 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.694 8.824 10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.074 7.120 12.849 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.184 5.583 11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.533 6.111 12.991 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.794 10.376 12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.509 9.826 11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.627 9.145 12.973 1.00 0.00 H new ATOM 1473 N GLN A 92 2.826 4.800 9.115 1.00 0.00 N ATOM 1474 CA GLN A 92 2.130 3.559 8.796 1.00 0.00 C ATOM 1475 C GLN A 92 3.092 2.512 8.249 1.00 0.00 C ATOM 1476 O GLN A 92 2.852 1.312 8.369 1.00 0.00 O ATOM 1477 CB GLN A 92 1.015 3.817 7.778 1.00 0.00 C ATOM 1478 CG GLN A 92 -0.157 4.611 8.328 1.00 0.00 C ATOM 1479 CD GLN A 92 -1.215 4.885 7.276 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -1.091 4.458 6.124 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -2.264 5.603 7.664 1.00 0.00 N ATOM 0 H GLN A 92 2.632 5.569 8.473 1.00 0.00 H new ATOM 0 HA GLN A 92 1.693 3.178 9.719 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.433 4.351 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.649 2.860 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.606 4.064 9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.205 5.557 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.326 5.936 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.007 5.821 7.000 1.00 0.00 H new ATOM 1490 N LEU A 93 4.183 2.976 7.648 1.00 0.00 N ATOM 1491 CA LEU A 93 5.232 2.083 7.169 1.00 0.00 C ATOM 1492 C LEU A 93 6.098 1.585 8.319 1.00 0.00 C ATOM 1493 O LEU A 93 5.715 0.683 9.012 1.00 0.00 O ATOM 1494 CB LEU A 93 6.095 2.795 6.120 1.00 0.00 C ATOM 1495 CG LEU A 93 5.392 3.092 4.789 1.00 0.00 C ATOM 1496 CD1 LEU A 93 6.301 3.924 3.893 1.00 0.00 C ATOM 1497 CD2 LEU A 93 5.015 1.783 4.109 1.00 0.00 C ATOM 0 H LEU A 93 4.364 3.966 7.481 1.00 0.00 H new ATOM 0 HA LEU A 93 4.756 1.217 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.451 3.735 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.974 2.183 5.920 1.00 0.00 H new ATOM 0 HG LEU A 93 4.483 3.663 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.794 4.130 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.540 4.865 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.221 3.374 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.516 1.995 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.915 1.198 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.344 1.217 4.755 1.00 0.00 H new TER 1509 LEU A 93