USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 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 13 HIS : no HD1:sc= -9.12! C(o=-8.4!,f=-9.4!) USER MOD Set 1.2: B 102 SER OG : rot -166:sc= 0.691 USER MOD Set 2.1: A 2 SER OG : rot -90:sc= 1.22 USER MOD Set 2.2: B 113 HIS : no HD1:sc= -3.13! C(o=-1.9!,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -119:sc= -7.49! (180deg=-15.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.695 F(o=-2.1,f=-0.69) USER MOD Single : A 14 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -3.64! (180deg=-3.75!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0797 (180deg=-0.548) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 30 TYR OH : rot 171:sc= -1.66! USER MOD Single : A 44 GLN :FLIP amide:sc= -0.419 F(o=-1.1,f=-0.42) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -39:sc=-0.00234! USER MOD Single : A 52 MET CE :methyl -156:sc= -0.0821 (180deg=-0.472) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 MET CE :methyl -124:sc= -10.8! (180deg=-21.6!) USER MOD Single : B 109 THR OG1 : rot -170:sc= -1.12 USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.072) USER MOD Single : B 114 GLN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 117 LYS NZ :NH3+ 168:sc= -0.607 (180deg=-0.62) USER MOD Single : B 123 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 126 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : B 128 LYS NZ :NH3+ 164:sc= -0.0563 (180deg=-0.366) USER MOD Single : B 129 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 130 TYR OH : rot 180:sc= -2.12 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -16.110 -15.564 4.427 1.00 0.00 N ATOM 21 CA SER A 2 -15.926 -15.151 3.041 1.00 0.00 C ATOM 22 C SER A 2 -14.546 -14.533 2.836 1.00 0.00 C ATOM 23 O SER A 2 -14.377 -13.320 2.946 1.00 0.00 O ATOM 24 CB SER A 2 -17.009 -14.149 2.638 1.00 0.00 C ATOM 25 OG SER A 2 -17.446 -14.377 1.309 1.00 0.00 O ATOM 0 HA SER A 2 -16.006 -16.037 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.855 -14.229 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.621 -13.134 2.728 1.00 0.00 H new ATOM 0 HG SER A 2 -16.894 -13.856 0.689 1.00 0.00 H new ATOM 31 N ARG A 3 -13.564 -15.377 2.540 1.00 0.00 N ATOM 32 CA ARG A 3 -12.197 -14.916 2.321 1.00 0.00 C ATOM 33 C ARG A 3 -11.932 -14.692 0.836 1.00 0.00 C ATOM 34 O ARG A 3 -12.073 -15.611 0.029 1.00 0.00 O ATOM 35 CB ARG A 3 -11.205 -15.942 2.881 1.00 0.00 C ATOM 36 CG ARG A 3 -10.016 -15.323 3.597 1.00 0.00 C ATOM 37 CD ARG A 3 -8.952 -16.364 3.908 1.00 0.00 C ATOM 38 NE ARG A 3 -9.459 -17.421 4.781 1.00 0.00 N ATOM 39 CZ ARG A 3 -8.856 -18.597 4.948 1.00 0.00 C ATOM 40 NH1 ARG A 3 -7.725 -18.867 4.308 1.00 0.00 N ATOM 41 NH2 ARG A 3 -9.384 -19.503 5.760 1.00 0.00 N ATOM 0 H ARG A 3 -13.689 -16.385 2.446 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.066 -13.967 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.730 -16.600 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.841 -16.564 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.586 -14.535 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.350 -14.855 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.592 -16.804 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.099 -15.880 4.383 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.325 -17.248 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.313 -18.172 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.267 -19.769 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.251 -19.299 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.923 -20.404 5.888 1.00 0.00 H new ATOM 55 N LEU A 4 -11.550 -13.467 0.474 1.00 0.00 N ATOM 56 CA LEU A 4 -11.276 -13.149 -0.921 1.00 0.00 C ATOM 57 C LEU A 4 -9.777 -12.982 -1.159 1.00 0.00 C ATOM 58 O LEU A 4 -9.090 -12.295 -0.402 1.00 0.00 O ATOM 59 CB LEU A 4 -12.046 -11.879 -1.328 1.00 0.00 C ATOM 60 CG LEU A 4 -11.213 -10.743 -1.934 1.00 0.00 C ATOM 61 CD1 LEU A 4 -11.004 -10.972 -3.424 1.00 0.00 C ATOM 62 CD2 LEU A 4 -11.889 -9.404 -1.691 1.00 0.00 C ATOM 0 H LEU A 4 -11.425 -12.689 1.122 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.616 -13.977 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.814 -12.161 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.560 -11.494 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.237 -10.731 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.411 -10.156 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.480 -11.916 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.971 -11.008 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.286 -8.608 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.876 -9.406 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.990 -9.237 -0.619 1.00 0.00 H new ATOM 74 N THR A 5 -9.281 -13.604 -2.222 1.00 0.00 N ATOM 75 CA THR A 5 -7.869 -13.511 -2.569 1.00 0.00 C ATOM 76 C THR A 5 -7.658 -12.428 -3.620 1.00 0.00 C ATOM 77 O THR A 5 -8.385 -12.363 -4.611 1.00 0.00 O ATOM 78 CB THR A 5 -7.350 -14.853 -3.084 1.00 0.00 C ATOM 79 OG1 THR A 5 -7.935 -15.925 -2.368 1.00 0.00 O ATOM 80 CG2 THR A 5 -5.849 -14.991 -2.971 1.00 0.00 C ATOM 0 H THR A 5 -9.835 -14.178 -2.858 1.00 0.00 H new ATOM 0 HA THR A 5 -7.310 -13.248 -1.671 1.00 0.00 H new ATOM 0 HB THR A 5 -7.626 -14.887 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.591 -16.775 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.543 -15.965 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.367 -14.206 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.553 -14.902 -1.926 1.00 0.00 H new ATOM 88 N ILE A 6 -6.674 -11.567 -3.389 1.00 0.00 N ATOM 89 CA ILE A 6 -6.392 -10.477 -4.313 1.00 0.00 C ATOM 90 C ILE A 6 -4.919 -10.432 -4.701 1.00 0.00 C ATOM 91 O ILE A 6 -4.043 -10.706 -3.882 1.00 0.00 O ATOM 92 CB ILE A 6 -6.801 -9.124 -3.695 1.00 0.00 C ATOM 93 CG1 ILE A 6 -8.314 -9.054 -3.551 1.00 0.00 C ATOM 94 CG2 ILE A 6 -6.301 -7.960 -4.538 1.00 0.00 C ATOM 95 CD1 ILE A 6 -8.756 -8.306 -2.319 1.00 0.00 C ATOM 0 H ILE A 6 -6.061 -11.602 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.978 -10.660 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.342 -9.048 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.735 -8.571 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.717 -10.066 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.605 -7.020 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.214 -7.998 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.726 -8.027 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.845 -8.291 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.362 -8.802 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.381 -7.284 -2.360 1.00 0.00 H new ATOM 107 N ASP A 7 -4.654 -10.065 -5.953 1.00 0.00 N ATOM 108 CA ASP A 7 -3.285 -9.968 -6.438 1.00 0.00 C ATOM 109 C ASP A 7 -2.840 -8.512 -6.485 1.00 0.00 C ATOM 110 O ASP A 7 -3.476 -7.675 -7.124 1.00 0.00 O ATOM 111 CB ASP A 7 -3.169 -10.596 -7.828 1.00 0.00 C ATOM 112 CG ASP A 7 -1.768 -11.096 -8.122 1.00 0.00 C ATOM 113 OD1 ASP A 7 -0.828 -10.684 -7.409 1.00 0.00 O ATOM 114 OD2 ASP A 7 -1.610 -11.901 -9.064 1.00 0.00 O ATOM 0 H ASP A 7 -5.367 -9.832 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.636 -10.511 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.872 -11.425 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.455 -9.861 -8.581 1.00 0.00 H new ATOM 119 N MET A 8 -1.739 -8.223 -5.805 1.00 0.00 N ATOM 120 CA MET A 8 -1.192 -6.872 -5.760 1.00 0.00 C ATOM 121 C MET A 8 0.296 -6.885 -6.099 1.00 0.00 C ATOM 122 O MET A 8 0.944 -7.929 -6.029 1.00 0.00 O ATOM 123 CB MET A 8 -1.416 -6.241 -4.379 1.00 0.00 C ATOM 124 CG MET A 8 -2.288 -7.071 -3.448 1.00 0.00 C ATOM 125 SD MET A 8 -2.920 -6.111 -2.062 1.00 0.00 S ATOM 126 CE MET A 8 -4.603 -5.826 -2.599 1.00 0.00 C ATOM 0 H MET A 8 -1.204 -8.910 -5.274 1.00 0.00 H new ATOM 0 HA MET A 8 -1.714 -6.270 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.448 -6.080 -3.904 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.874 -5.261 -4.510 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.124 -7.485 -4.011 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.710 -7.914 -3.069 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.777 -4.754 -2.698 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.764 -6.310 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.294 -6.240 -1.865 1.00 0.00 H new ATOM 136 N THR A 9 0.838 -5.726 -6.453 1.00 0.00 N ATOM 137 CA THR A 9 2.256 -5.628 -6.781 1.00 0.00 C ATOM 138 C THR A 9 3.090 -5.461 -5.511 1.00 0.00 C ATOM 139 O THR A 9 2.616 -4.928 -4.507 1.00 0.00 O ATOM 140 CB THR A 9 2.521 -4.474 -7.754 1.00 0.00 C ATOM 141 OG1 THR A 9 3.912 -4.296 -7.949 1.00 0.00 O ATOM 142 CG2 THR A 9 1.951 -3.149 -7.298 1.00 0.00 C ATOM 0 H THR A 9 0.323 -4.848 -6.520 1.00 0.00 H new ATOM 0 HA THR A 9 2.552 -6.555 -7.272 1.00 0.00 H new ATOM 0 HB THR A 9 2.020 -4.762 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.063 -3.556 -8.574 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.179 -2.381 -8.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.870 -3.237 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.393 -2.873 -6.341 1.00 0.00 H new ATOM 150 N ASP A 10 4.327 -5.942 -5.562 1.00 0.00 N ATOM 151 CA ASP A 10 5.241 -5.882 -4.421 1.00 0.00 C ATOM 152 C ASP A 10 5.216 -4.526 -3.712 1.00 0.00 C ATOM 153 O ASP A 10 4.900 -4.446 -2.525 1.00 0.00 O ATOM 154 CB ASP A 10 6.667 -6.193 -4.880 1.00 0.00 C ATOM 155 CG ASP A 10 6.987 -7.673 -4.807 1.00 0.00 C ATOM 156 OD1 ASP A 10 7.152 -8.190 -3.682 1.00 0.00 O ATOM 157 OD2 ASP A 10 7.074 -8.315 -5.875 1.00 0.00 O ATOM 0 H ASP A 10 4.726 -6.383 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 10 4.902 -6.629 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.800 -5.845 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.374 -5.640 -4.261 1.00 0.00 H new ATOM 162 N GLN A 11 5.576 -3.470 -4.432 1.00 0.00 N ATOM 163 CA GLN A 11 5.625 -2.129 -3.854 1.00 0.00 C ATOM 164 C GLN A 11 4.272 -1.690 -3.295 1.00 0.00 C ATOM 165 O GLN A 11 4.188 -1.207 -2.166 1.00 0.00 O ATOM 166 CB GLN A 11 6.099 -1.123 -4.904 1.00 0.00 C ATOM 167 CG GLN A 11 6.626 0.173 -4.311 1.00 0.00 C ATOM 168 CD GLN A 11 6.348 1.373 -5.193 1.00 0.00 C ATOM 169 OE1 GLN A 11 7.095 1.655 -6.131 1.00 0.00 O ATOM 170 NE2 GLN A 11 5.269 2.090 -4.898 1.00 0.00 N ATOM 0 H GLN A 11 5.838 -3.515 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 11 6.331 -2.161 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.883 -1.582 -5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.272 -0.895 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.171 0.332 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.701 0.085 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.677 1.821 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.032 2.909 -5.458 1.00 0.00 H new ATOM 179 N GLN A 12 3.220 -1.842 -4.089 1.00 0.00 N ATOM 180 CA GLN A 12 1.881 -1.442 -3.667 1.00 0.00 C ATOM 181 C GLN A 12 1.429 -2.207 -2.424 1.00 0.00 C ATOM 182 O GLN A 12 0.926 -1.615 -1.471 1.00 0.00 O ATOM 183 CB GLN A 12 0.883 -1.655 -4.806 1.00 0.00 C ATOM 184 CG GLN A 12 -0.394 -0.845 -4.658 1.00 0.00 C ATOM 185 CD GLN A 12 -1.641 -1.699 -4.773 1.00 0.00 C ATOM 186 OE1 GLN A 12 -1.635 -2.847 -4.105 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 -2.599 -1.330 -5.451 1.00 0.00 N flip ATOM 0 H GLN A 12 3.266 -2.239 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 12 1.917 -0.383 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.361 -1.394 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.627 -2.713 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.391 -0.341 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.418 -0.068 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.560 -0.440 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.433 -1.914 -5.516 1.00 0.00 H new ATOM 196 N HIS A 13 1.605 -3.525 -2.441 1.00 0.00 N ATOM 197 CA HIS A 13 1.206 -4.363 -1.313 1.00 0.00 C ATOM 198 C HIS A 13 1.971 -3.977 -0.039 1.00 0.00 C ATOM 199 O HIS A 13 1.562 -4.310 1.061 1.00 0.00 O ATOM 200 CB HIS A 13 1.407 -5.851 -1.669 1.00 0.00 C ATOM 201 CG HIS A 13 1.656 -6.777 -0.504 1.00 0.00 C ATOM 202 ND1 HIS A 13 2.922 -7.180 -0.133 1.00 0.00 N ATOM 203 CD2 HIS A 13 0.799 -7.405 0.351 1.00 0.00 C ATOM 204 CE1 HIS A 13 2.837 -8.014 0.890 1.00 0.00 C ATOM 205 NE2 HIS A 13 1.564 -8.165 1.201 1.00 0.00 N ATOM 0 H HIS A 13 2.020 -4.035 -3.221 1.00 0.00 H new ATOM 0 HA HIS A 13 0.148 -4.200 -1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.523 -6.200 -2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.248 -5.930 -2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.278 -7.321 0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.669 -8.491 1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.205 -8.753 1.953 1.00 0.00 H new ATOM 214 N GLN A 14 3.076 -3.264 -0.196 1.00 0.00 N ATOM 215 CA GLN A 14 3.878 -2.836 0.946 1.00 0.00 C ATOM 216 C GLN A 14 3.324 -1.556 1.564 1.00 0.00 C ATOM 217 O GLN A 14 3.365 -1.372 2.780 1.00 0.00 O ATOM 218 CB GLN A 14 5.331 -2.619 0.522 1.00 0.00 C ATOM 219 CG GLN A 14 6.127 -3.908 0.391 1.00 0.00 C ATOM 220 CD GLN A 14 7.619 -3.662 0.280 1.00 0.00 C ATOM 221 OE1 GLN A 14 8.367 -3.879 1.232 1.00 0.00 O ATOM 222 NE2 GLN A 14 8.059 -3.208 -0.888 1.00 0.00 N ATOM 0 H GLN A 14 3.440 -2.968 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 14 3.835 -3.625 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.347 -2.093 -0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.820 -1.972 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.930 -4.542 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.786 -4.454 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.402 -3.042 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.053 -3.025 -1.022 1.00 0.00 H new ATOM 231 N SER A 15 2.821 -0.668 0.714 1.00 0.00 N ATOM 232 CA SER A 15 2.272 0.605 1.167 1.00 0.00 C ATOM 233 C SER A 15 1.089 0.404 2.110 1.00 0.00 C ATOM 234 O SER A 15 1.025 1.015 3.177 1.00 0.00 O ATOM 235 CB SER A 15 1.841 1.452 -0.033 1.00 0.00 C ATOM 236 OG SER A 15 2.856 2.367 -0.404 1.00 0.00 O ATOM 0 H SER A 15 2.782 -0.807 -0.296 1.00 0.00 H new ATOM 0 HA SER A 15 3.056 1.125 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.608 0.801 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.929 1.996 0.211 1.00 0.00 H new ATOM 0 HG SER A 15 2.556 2.894 -1.174 1.00 0.00 H new ATOM 242 N LEU A 16 0.148 -0.442 1.705 1.00 0.00 N ATOM 243 CA LEU A 16 -1.038 -0.703 2.515 1.00 0.00 C ATOM 244 C LEU A 16 -0.755 -1.713 3.624 1.00 0.00 C ATOM 245 O LEU A 16 -1.304 -1.605 4.720 1.00 0.00 O ATOM 246 CB LEU A 16 -2.186 -1.196 1.630 1.00 0.00 C ATOM 247 CG LEU A 16 -3.214 -0.133 1.220 1.00 0.00 C ATOM 248 CD1 LEU A 16 -4.303 -0.006 2.274 1.00 0.00 C ATOM 249 CD2 LEU A 16 -2.540 1.212 0.981 1.00 0.00 C ATOM 0 H LEU A 16 0.182 -0.957 0.825 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.327 0.235 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.762 -1.632 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.708 -1.996 2.155 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.675 -0.452 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.022 0.753 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.812 -0.963 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.857 0.284 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.290 1.948 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.045 1.538 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.802 1.113 0.185 1.00 0.00 H new ATOM 261 N LYS A 17 0.108 -2.692 3.348 1.00 0.00 N ATOM 262 CA LYS A 17 0.445 -3.699 4.361 1.00 0.00 C ATOM 263 C LYS A 17 1.211 -3.027 5.473 1.00 0.00 C ATOM 264 O LYS A 17 1.131 -3.406 6.641 1.00 0.00 O ATOM 265 CB LYS A 17 1.262 -4.836 3.746 1.00 0.00 C ATOM 266 CG LYS A 17 0.431 -5.735 2.842 1.00 0.00 C ATOM 267 CD LYS A 17 -0.822 -5.022 2.361 1.00 0.00 C ATOM 268 CE LYS A 17 -1.042 -5.139 0.866 1.00 0.00 C ATOM 269 NZ LYS A 17 -1.609 -3.891 0.296 1.00 0.00 N ATOM 0 H LYS A 17 0.579 -2.811 2.451 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.470 -4.136 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.088 -4.415 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.700 -5.436 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.028 -6.045 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.153 -6.641 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.687 -5.432 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.758 -3.968 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.096 -5.366 0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.715 -5.972 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.825 -4.036 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.481 -3.642 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.919 -3.119 0.394 1.00 0.00 H new ATOM 283 N ALA A 18 1.934 -1.998 5.076 1.00 0.00 N ATOM 284 CA ALA A 18 2.715 -1.204 6.007 1.00 0.00 C ATOM 285 C ALA A 18 1.780 -0.480 6.965 1.00 0.00 C ATOM 286 O ALA A 18 1.984 -0.485 8.179 1.00 0.00 O ATOM 287 CB ALA A 18 3.594 -0.213 5.261 1.00 0.00 C ATOM 0 H ALA A 18 1.997 -1.689 4.106 1.00 0.00 H new ATOM 0 HA ALA A 18 3.368 -1.864 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.171 0.372 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.274 -0.754 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.968 0.454 4.668 1.00 0.00 H new ATOM 293 N LEU A 19 0.735 0.124 6.405 1.00 0.00 N ATOM 294 CA LEU A 19 -0.256 0.834 7.197 1.00 0.00 C ATOM 295 C LEU A 19 -1.055 -0.153 8.036 1.00 0.00 C ATOM 296 O LEU A 19 -1.368 0.111 9.197 1.00 0.00 O ATOM 297 CB LEU A 19 -1.193 1.632 6.288 1.00 0.00 C ATOM 298 CG LEU A 19 -0.775 3.085 6.056 1.00 0.00 C ATOM 299 CD1 LEU A 19 -0.518 3.342 4.579 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.832 4.039 6.590 1.00 0.00 C ATOM 0 H LEU A 19 0.555 0.134 5.401 1.00 0.00 H new ATOM 0 HA LEU A 19 0.259 1.529 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.257 1.128 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.193 1.621 6.721 1.00 0.00 H new ATOM 0 HG LEU A 19 0.153 3.263 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.222 4.381 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.279 2.686 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.427 3.143 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.516 5.067 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.777 3.858 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.962 3.876 7.660 1.00 0.00 H new ATOM 312 N ALA A 20 -1.370 -1.302 7.442 1.00 0.00 N ATOM 313 CA ALA A 20 -2.118 -2.337 8.140 1.00 0.00 C ATOM 314 C ALA A 20 -1.386 -2.743 9.417 1.00 0.00 C ATOM 315 O ALA A 20 -1.998 -2.908 10.472 1.00 0.00 O ATOM 316 CB ALA A 20 -2.329 -3.549 7.243 1.00 0.00 C ATOM 0 H ALA A 20 -1.118 -1.536 6.482 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.096 -1.936 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.890 -4.310 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.886 -3.252 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.362 -3.955 6.946 1.00 0.00 H new ATOM 322 N ALA A 21 -0.066 -2.885 9.307 1.00 0.00 N ATOM 323 CA ALA A 21 0.772 -3.252 10.436 1.00 0.00 C ATOM 324 C ALA A 21 0.889 -2.096 11.412 1.00 0.00 C ATOM 325 O ALA A 21 0.948 -2.292 12.627 1.00 0.00 O ATOM 326 CB ALA A 21 2.148 -3.682 9.951 1.00 0.00 C ATOM 0 H ALA A 21 0.446 -2.749 8.435 1.00 0.00 H new ATOM 0 HA ALA A 21 0.308 -4.091 10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.766 -3.954 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.048 -4.541 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.617 -2.859 9.411 1.00 0.00 H new ATOM 332 N LEU A 22 0.929 -0.887 10.868 1.00 0.00 N ATOM 333 CA LEU A 22 1.046 0.311 11.680 1.00 0.00 C ATOM 334 C LEU A 22 -0.265 0.625 12.396 1.00 0.00 C ATOM 335 O LEU A 22 -0.282 1.364 13.380 1.00 0.00 O ATOM 336 CB LEU A 22 1.477 1.503 10.820 1.00 0.00 C ATOM 337 CG LEU A 22 2.944 1.492 10.379 1.00 0.00 C ATOM 338 CD1 LEU A 22 3.316 2.816 9.729 1.00 0.00 C ATOM 339 CD2 LEU A 22 3.858 1.203 11.561 1.00 0.00 C ATOM 0 H LEU A 22 0.882 -0.713 9.864 1.00 0.00 H new ATOM 0 HA LEU A 22 1.809 0.127 12.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.847 1.536 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.289 2.420 11.378 1.00 0.00 H new ATOM 0 HG LEU A 22 3.074 0.698 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.362 2.790 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.686 2.982 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.168 3.626 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.895 1.200 11.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.724 1.973 12.321 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.610 0.229 11.983 1.00 0.00 H new ATOM 351 N GLN A 23 -1.362 0.066 11.893 1.00 0.00 N ATOM 352 CA GLN A 23 -2.675 0.293 12.483 1.00 0.00 C ATOM 353 C GLN A 23 -2.983 -0.729 13.581 1.00 0.00 C ATOM 354 O GLN A 23 -4.146 -1.042 13.839 1.00 0.00 O ATOM 355 CB GLN A 23 -3.749 0.242 11.394 1.00 0.00 C ATOM 356 CG GLN A 23 -4.321 1.605 11.047 1.00 0.00 C ATOM 357 CD GLN A 23 -5.607 1.906 11.792 1.00 0.00 C ATOM 358 OE1 GLN A 23 -6.694 1.879 11.215 1.00 0.00 O ATOM 359 NE2 GLN A 23 -5.489 2.195 13.082 1.00 0.00 N ATOM 0 H GLN A 23 -1.366 -0.547 11.078 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.673 1.281 12.944 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.324 -0.205 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.558 -0.411 11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.583 2.374 11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.507 1.654 9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.568 2.206 13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.319 2.406 13.635 1.00 0.00 H new ATOM 368 N GLY A 24 -1.938 -1.238 14.229 1.00 0.00 N ATOM 369 CA GLY A 24 -2.119 -2.208 15.296 1.00 0.00 C ATOM 370 C GLY A 24 -2.829 -3.468 14.840 1.00 0.00 C ATOM 371 O GLY A 24 -3.530 -4.110 15.623 1.00 0.00 O ATOM 0 H GLY A 24 -0.967 -0.995 14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.145 -2.475 15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.689 -1.749 16.104 1.00 0.00 H new ATOM 375 N LYS A 25 -2.647 -3.826 13.576 1.00 0.00 N ATOM 376 CA LYS A 25 -3.273 -5.020 13.022 1.00 0.00 C ATOM 377 C LYS A 25 -2.545 -5.470 11.758 1.00 0.00 C ATOM 378 O LYS A 25 -1.419 -5.054 11.504 1.00 0.00 O ATOM 379 CB LYS A 25 -4.751 -4.749 12.721 1.00 0.00 C ATOM 380 CG LYS A 25 -4.975 -3.759 11.588 1.00 0.00 C ATOM 381 CD LYS A 25 -6.102 -2.789 11.911 1.00 0.00 C ATOM 382 CE LYS A 25 -6.878 -2.400 10.663 1.00 0.00 C ATOM 383 NZ LYS A 25 -8.009 -1.483 10.977 1.00 0.00 N ATOM 0 H LYS A 25 -2.071 -3.306 12.914 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.207 -5.821 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.240 -5.691 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.232 -4.370 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.056 -3.203 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.210 -4.300 10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.779 -3.244 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.691 -1.894 12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.206 -1.918 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.262 -3.298 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.513 -1.241 10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.664 -1.952 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.641 -0.615 11.415 1.00 0.00 H new ATOM 397 N THR A 26 -3.194 -6.316 10.966 1.00 0.00 N ATOM 398 CA THR A 26 -2.604 -6.808 9.728 1.00 0.00 C ATOM 399 C THR A 26 -3.477 -6.418 8.541 1.00 0.00 C ATOM 400 O THR A 26 -4.675 -6.187 8.701 1.00 0.00 O ATOM 401 CB THR A 26 -2.438 -8.327 9.786 1.00 0.00 C ATOM 402 OG1 THR A 26 -1.781 -8.806 8.625 1.00 0.00 O ATOM 403 CG2 THR A 26 -3.753 -9.067 9.908 1.00 0.00 C ATOM 0 H THR A 26 -4.129 -6.675 11.160 1.00 0.00 H new ATOM 0 HA THR A 26 -1.620 -6.355 9.605 1.00 0.00 H new ATOM 0 HB THR A 26 -1.846 -8.519 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.683 -9.779 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.565 -10.140 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.262 -8.757 10.821 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.381 -8.838 9.047 1.00 0.00 H new ATOM 411 N ILE A 27 -2.881 -6.341 7.352 1.00 0.00 N ATOM 412 CA ILE A 27 -3.635 -5.972 6.157 1.00 0.00 C ATOM 413 C ILE A 27 -4.914 -6.804 6.055 1.00 0.00 C ATOM 414 O ILE A 27 -5.926 -6.341 5.525 1.00 0.00 O ATOM 415 CB ILE A 27 -2.781 -6.108 4.869 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.662 -6.043 3.629 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.954 -7.375 4.894 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.864 -4.635 3.121 1.00 0.00 C ATOM 0 H ILE A 27 -1.891 -6.527 7.192 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.909 -4.921 6.250 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.088 -5.267 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.214 -6.647 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.633 -6.484 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.366 -7.444 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.285 -7.356 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.614 -8.239 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.500 -4.655 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.339 -4.033 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.899 -4.199 2.864 1.00 0.00 H new ATOM 430 N LYS A 28 -4.876 -8.016 6.594 1.00 0.00 N ATOM 431 CA LYS A 28 -6.042 -8.892 6.587 1.00 0.00 C ATOM 432 C LYS A 28 -7.252 -8.173 7.185 1.00 0.00 C ATOM 433 O LYS A 28 -8.400 -8.488 6.870 1.00 0.00 O ATOM 434 CB LYS A 28 -5.747 -10.163 7.387 1.00 0.00 C ATOM 435 CG LYS A 28 -6.767 -11.269 7.179 1.00 0.00 C ATOM 436 CD LYS A 28 -6.566 -11.956 5.841 1.00 0.00 C ATOM 437 CE LYS A 28 -5.436 -12.970 5.897 1.00 0.00 C ATOM 438 NZ LYS A 28 -5.743 -14.095 6.824 1.00 0.00 N ATOM 0 H LYS A 28 -4.051 -8.415 7.042 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.268 -9.162 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.760 -10.535 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.707 -9.913 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.683 -12.001 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.773 -10.854 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.489 -12.455 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.348 -11.210 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.252 -13.364 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.520 -12.475 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.176 -14.926 6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.514 -13.814 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.754 -14.331 6.760 1.00 0.00 H new ATOM 452 N GLN A 29 -6.976 -7.202 8.054 1.00 0.00 N ATOM 453 CA GLN A 29 -8.019 -6.421 8.710 1.00 0.00 C ATOM 454 C GLN A 29 -8.073 -5.009 8.152 1.00 0.00 C ATOM 455 O GLN A 29 -9.145 -4.464 7.890 1.00 0.00 O ATOM 456 CB GLN A 29 -7.742 -6.335 10.210 1.00 0.00 C ATOM 457 CG GLN A 29 -8.998 -6.301 11.063 1.00 0.00 C ATOM 458 CD GLN A 29 -9.528 -7.686 11.379 1.00 0.00 C ATOM 459 OE1 GLN A 29 -10.022 -8.391 10.498 1.00 0.00 O ATOM 460 NE2 GLN A 29 -9.428 -8.084 12.642 1.00 0.00 N ATOM 0 H GLN A 29 -6.028 -6.937 8.321 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.971 -6.919 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.135 -7.190 10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.153 -5.440 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.786 -5.776 11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.769 -5.731 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.012 -7.467 13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.768 -9.006 12.914 1.00 0.00 H new ATOM 469 N TYR A 30 -6.900 -4.417 8.008 1.00 0.00 N ATOM 470 CA TYR A 30 -6.780 -3.056 7.516 1.00 0.00 C ATOM 471 C TYR A 30 -7.396 -2.900 6.127 1.00 0.00 C ATOM 472 O TYR A 30 -8.222 -2.015 5.902 1.00 0.00 O ATOM 473 CB TYR A 30 -5.305 -2.676 7.486 1.00 0.00 C ATOM 474 CG TYR A 30 -5.051 -1.290 6.970 1.00 0.00 C ATOM 475 CD1 TYR A 30 -5.622 -0.193 7.588 1.00 0.00 C ATOM 476 CD2 TYR A 30 -4.242 -1.084 5.864 1.00 0.00 C ATOM 477 CE1 TYR A 30 -5.395 1.086 7.117 1.00 0.00 C ATOM 478 CE2 TYR A 30 -4.007 0.188 5.384 1.00 0.00 C ATOM 479 CZ TYR A 30 -4.586 1.272 6.012 1.00 0.00 C ATOM 480 OH TYR A 30 -4.356 2.542 5.537 1.00 0.00 O ATOM 0 H TYR A 30 -6.009 -4.863 8.227 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.327 -2.392 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.896 -2.760 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.767 -3.391 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.255 -0.338 8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.789 -1.931 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.847 1.935 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.374 0.335 4.522 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.657 2.513 4.851 1.00 0.00 H new ATOM 490 N ALA A 31 -7.003 -3.768 5.205 1.00 0.00 N ATOM 491 CA ALA A 31 -7.531 -3.729 3.846 1.00 0.00 C ATOM 492 C ALA A 31 -9.003 -4.076 3.834 1.00 0.00 C ATOM 493 O ALA A 31 -9.766 -3.579 3.008 1.00 0.00 O ATOM 494 CB ALA A 31 -6.762 -4.680 2.947 1.00 0.00 C ATOM 0 H ALA A 31 -6.321 -4.508 5.372 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.411 -2.715 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.171 -4.637 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.711 -4.391 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.851 -5.696 3.331 1.00 0.00 H new ATOM 500 N LEU A 32 -9.391 -4.944 4.754 1.00 0.00 N ATOM 501 CA LEU A 32 -10.768 -5.378 4.854 1.00 0.00 C ATOM 502 C LEU A 32 -11.700 -4.184 4.990 1.00 0.00 C ATOM 503 O LEU A 32 -12.678 -4.060 4.256 1.00 0.00 O ATOM 504 CB LEU A 32 -10.930 -6.318 6.047 1.00 0.00 C ATOM 505 CG LEU A 32 -12.373 -6.668 6.416 1.00 0.00 C ATOM 506 CD1 LEU A 32 -13.102 -7.258 5.219 1.00 0.00 C ATOM 507 CD2 LEU A 32 -12.403 -7.635 7.590 1.00 0.00 C ATOM 0 H LEU A 32 -8.766 -5.361 5.443 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.033 -5.913 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.393 -7.242 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.451 -5.863 6.914 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.885 -5.752 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.127 -7.501 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.111 -6.533 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.591 -8.164 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.437 -7.873 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.875 -8.550 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.919 -7.176 8.452 1.00 0.00 H new ATOM 519 N GLU A 33 -11.387 -3.309 5.934 1.00 0.00 N ATOM 520 CA GLU A 33 -12.192 -2.121 6.171 1.00 0.00 C ATOM 521 C GLU A 33 -12.011 -1.095 5.058 1.00 0.00 C ATOM 522 O GLU A 33 -12.907 -0.298 4.782 1.00 0.00 O ATOM 523 CB GLU A 33 -11.839 -1.497 7.523 1.00 0.00 C ATOM 524 CG GLU A 33 -12.308 -2.317 8.714 1.00 0.00 C ATOM 525 CD GLU A 33 -13.334 -1.586 9.559 1.00 0.00 C ATOM 526 OE1 GLU A 33 -13.042 -0.455 10.000 1.00 0.00 O ATOM 527 OE2 GLU A 33 -14.428 -2.146 9.780 1.00 0.00 O ATOM 0 H GLU A 33 -10.579 -3.400 6.550 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.238 -2.427 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.758 -1.370 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.281 -0.502 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.737 -3.254 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.449 -2.574 9.334 1.00 0.00 H new ATOM 534 N ARG A 34 -10.844 -1.114 4.427 1.00 0.00 N ATOM 535 CA ARG A 34 -10.544 -0.177 3.349 1.00 0.00 C ATOM 536 C ARG A 34 -11.541 -0.321 2.203 1.00 0.00 C ATOM 537 O ARG A 34 -11.883 0.658 1.542 1.00 0.00 O ATOM 538 CB ARG A 34 -9.116 -0.378 2.840 1.00 0.00 C ATOM 539 CG ARG A 34 -8.366 0.927 2.632 1.00 0.00 C ATOM 540 CD ARG A 34 -8.165 1.672 3.942 1.00 0.00 C ATOM 541 NE ARG A 34 -8.544 3.080 3.833 1.00 0.00 N ATOM 542 CZ ARG A 34 -8.148 4.024 4.684 1.00 0.00 C ATOM 543 NH1 ARG A 34 -7.361 3.716 5.708 1.00 0.00 N ATOM 544 NH2 ARG A 34 -8.539 5.278 4.510 1.00 0.00 N ATOM 0 H ARG A 34 -10.090 -1.766 4.642 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.631 0.833 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.567 -0.996 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.146 -0.926 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.397 0.722 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.918 1.558 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.757 1.196 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.120 1.600 4.244 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.148 3.355 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.057 2.752 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.061 4.443 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.143 5.520 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.236 6.002 5.162 1.00 0.00 H new ATOM 558 N LEU A 35 -12.024 -1.538 1.984 1.00 0.00 N ATOM 559 CA LEU A 35 -12.999 -1.788 0.939 1.00 0.00 C ATOM 560 C LEU A 35 -14.358 -1.249 1.366 1.00 0.00 C ATOM 561 O LEU A 35 -15.233 -1.008 0.535 1.00 0.00 O ATOM 562 CB LEU A 35 -13.096 -3.284 0.642 1.00 0.00 C ATOM 563 CG LEU A 35 -11.760 -4.013 0.542 1.00 0.00 C ATOM 564 CD1 LEU A 35 -11.980 -5.473 0.187 1.00 0.00 C ATOM 565 CD2 LEU A 35 -10.865 -3.339 -0.486 1.00 0.00 C ATOM 0 H LEU A 35 -11.754 -2.364 2.518 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.679 -1.278 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.692 -3.756 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.636 -3.418 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.264 -3.967 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.017 -5.980 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.587 -5.948 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.494 -5.541 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.915 -3.871 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.353 -3.357 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.684 -2.306 -0.189 1.00 0.00 H new ATOM 618 N ASP A 39 -16.257 7.086 3.713 1.00 0.00 N ATOM 619 CA ASP A 39 -15.936 8.450 3.309 1.00 0.00 C ATOM 620 C ASP A 39 -14.426 8.645 3.223 1.00 0.00 C ATOM 621 O ASP A 39 -13.665 8.023 3.966 1.00 0.00 O ATOM 622 CB ASP A 39 -16.535 9.452 4.296 1.00 0.00 C ATOM 623 CG ASP A 39 -17.977 9.792 3.970 1.00 0.00 C ATOM 624 OD1 ASP A 39 -18.202 10.734 3.183 1.00 0.00 O ATOM 625 OD2 ASP A 39 -18.881 9.114 4.503 1.00 0.00 O ATOM 0 HA ASP A 39 -16.367 8.623 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.480 9.042 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.939 10.365 4.290 1.00 0.00 H new ATOM 630 N ALA A 40 -13.996 9.513 2.312 1.00 0.00 N ATOM 631 CA ALA A 40 -12.582 9.789 2.129 1.00 0.00 C ATOM 632 C ALA A 40 -12.313 11.286 1.989 1.00 0.00 C ATOM 633 O ALA A 40 -11.202 11.695 1.648 1.00 0.00 O ATOM 634 CB ALA A 40 -12.055 9.044 0.913 1.00 0.00 C ATOM 0 H ALA A 40 -14.611 10.037 1.689 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.058 9.440 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.994 9.259 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.194 7.972 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.599 9.366 0.025 1.00 0.00 H new ATOM 640 N ASP A 41 -13.330 12.100 2.250 1.00 0.00 N ATOM 641 CA ASP A 41 -13.194 13.548 2.151 1.00 0.00 C ATOM 642 C ASP A 41 -13.232 14.195 3.531 1.00 0.00 C ATOM 643 O ASP A 41 -12.595 15.223 3.764 1.00 0.00 O ATOM 644 CB ASP A 41 -14.304 14.126 1.272 1.00 0.00 C ATOM 645 CG ASP A 41 -15.687 13.776 1.783 1.00 0.00 C ATOM 646 OD1 ASP A 41 -16.076 14.293 2.851 1.00 0.00 O ATOM 647 OD2 ASP A 41 -16.384 12.984 1.114 1.00 0.00 O ATOM 0 H ASP A 41 -14.257 11.782 2.532 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.228 13.767 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.200 15.210 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.190 13.752 0.255 1.00 0.00 H new ATOM 652 N ALA A 42 -13.984 13.587 4.443 1.00 0.00 N ATOM 653 CA ALA A 42 -14.107 14.102 5.800 1.00 0.00 C ATOM 654 C ALA A 42 -12.765 14.076 6.524 1.00 0.00 C ATOM 655 O ALA A 42 -12.145 15.118 6.740 1.00 0.00 O ATOM 656 CB ALA A 42 -15.143 13.302 6.575 1.00 0.00 C ATOM 0 H ALA A 42 -14.518 12.736 4.265 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.435 15.140 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.225 13.697 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.109 13.378 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.838 12.256 6.617 1.00 0.00 H new ATOM 662 N ASP A 43 -12.324 12.880 6.898 1.00 0.00 N ATOM 663 CA ASP A 43 -11.056 12.717 7.601 1.00 0.00 C ATOM 664 C ASP A 43 -9.892 13.219 6.751 1.00 0.00 C ATOM 665 O ASP A 43 -8.952 13.825 7.265 1.00 0.00 O ATOM 666 CB ASP A 43 -10.840 11.248 7.970 1.00 0.00 C ATOM 667 CG ASP A 43 -10.363 11.076 9.399 1.00 0.00 C ATOM 668 OD1 ASP A 43 -9.733 12.014 9.932 1.00 0.00 O ATOM 669 OD2 ASP A 43 -10.619 10.004 9.986 1.00 0.00 O ATOM 0 H ASP A 43 -12.826 12.009 6.726 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.096 13.312 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.773 10.701 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.110 10.809 7.290 1.00 0.00 H new ATOM 674 N GLN A 44 -9.961 12.961 5.449 1.00 0.00 N ATOM 675 CA GLN A 44 -8.912 13.385 4.530 1.00 0.00 C ATOM 676 C GLN A 44 -8.810 14.906 4.473 1.00 0.00 C ATOM 677 O GLN A 44 -7.769 15.454 4.110 1.00 0.00 O ATOM 678 CB GLN A 44 -9.179 12.828 3.129 1.00 0.00 C ATOM 679 CG GLN A 44 -8.032 13.054 2.158 1.00 0.00 C ATOM 680 CD GLN A 44 -8.489 13.093 0.713 1.00 0.00 C ATOM 681 OE1 GLN A 44 -9.172 14.167 0.336 1.00 0.00 O flip ATOM 682 NE2 GLN A 44 -8.232 12.166 -0.057 1.00 0.00 N flip ATOM 0 H GLN A 44 -10.732 12.461 5.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.964 12.993 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.376 11.759 3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.081 13.291 2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.533 13.992 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.295 12.260 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.704 11.359 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.547 12.206 -1.026 1.00 0.00 H new ATOM 691 N ALA A 45 -9.896 15.588 4.832 1.00 0.00 N ATOM 692 CA ALA A 45 -9.923 17.047 4.817 1.00 0.00 C ATOM 693 C ALA A 45 -8.769 17.631 5.627 1.00 0.00 C ATOM 694 O ALA A 45 -7.912 18.332 5.088 1.00 0.00 O ATOM 695 CB ALA A 45 -11.253 17.555 5.354 1.00 0.00 C ATOM 0 H ALA A 45 -10.767 15.153 5.136 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.808 17.374 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.260 18.645 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.065 17.178 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.389 17.207 6.378 1.00 0.00 H new ATOM 701 N TRP A 46 -8.754 17.340 6.924 1.00 0.00 N ATOM 702 CA TRP A 46 -7.703 17.838 7.806 1.00 0.00 C ATOM 703 C TRP A 46 -6.329 17.361 7.350 1.00 0.00 C ATOM 704 O TRP A 46 -5.310 17.969 7.679 1.00 0.00 O ATOM 705 CB TRP A 46 -7.964 17.392 9.245 1.00 0.00 C ATOM 706 CG TRP A 46 -9.278 17.870 9.783 1.00 0.00 C ATOM 707 CD1 TRP A 46 -10.496 17.274 9.619 1.00 0.00 C ATOM 708 CD2 TRP A 46 -9.507 19.045 10.568 1.00 0.00 C ATOM 709 NE1 TRP A 46 -11.468 18.008 10.254 1.00 0.00 N ATOM 710 CE2 TRP A 46 -10.887 19.099 10.845 1.00 0.00 C ATOM 711 CE3 TRP A 46 -8.681 20.057 11.064 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -11.455 20.124 11.596 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -9.247 21.074 11.810 1.00 0.00 C ATOM 714 CH2 TRP A 46 -10.623 21.100 12.070 1.00 0.00 C ATOM 0 H TRP A 46 -9.456 16.763 7.387 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.715 18.927 7.763 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.934 16.303 9.292 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.162 17.761 9.884 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.669 16.360 9.071 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -12.461 17.778 10.281 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.619 20.045 10.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -12.516 20.148 11.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.618 21.861 12.199 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -11.035 21.907 12.657 1.00 0.00 H new ATOM 725 N GLN A 47 -6.307 16.274 6.588 1.00 0.00 N ATOM 726 CA GLN A 47 -5.058 15.720 6.080 1.00 0.00 C ATOM 727 C GLN A 47 -4.845 16.127 4.626 1.00 0.00 C ATOM 728 O GLN A 47 -4.259 15.384 3.839 1.00 0.00 O ATOM 729 CB GLN A 47 -5.064 14.195 6.201 1.00 0.00 C ATOM 730 CG GLN A 47 -3.678 13.589 6.349 1.00 0.00 C ATOM 731 CD GLN A 47 -3.670 12.090 6.130 1.00 0.00 C ATOM 732 OE1 GLN A 47 -4.009 11.318 7.027 1.00 0.00 O ATOM 733 NE2 GLN A 47 -3.283 11.669 4.932 1.00 0.00 N ATOM 0 H GLN A 47 -7.141 15.758 6.308 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.238 16.118 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.669 13.910 7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.544 13.771 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.002 14.060 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.294 13.809 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.010 12.344 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.258 10.670 4.726 1.00 0.00 H new ATOM 742 N GLU A 48 -5.331 17.315 4.280 1.00 0.00 N ATOM 743 CA GLU A 48 -5.205 17.830 2.922 1.00 0.00 C ATOM 744 C GLU A 48 -5.068 19.352 2.930 1.00 0.00 C ATOM 745 O GLU A 48 -4.255 19.914 2.196 1.00 0.00 O ATOM 746 CB GLU A 48 -6.419 17.408 2.085 1.00 0.00 C ATOM 747 CG GLU A 48 -6.596 18.199 0.797 1.00 0.00 C ATOM 748 CD GLU A 48 -7.782 17.725 -0.020 1.00 0.00 C ATOM 749 OE1 GLU A 48 -8.238 16.585 0.203 1.00 0.00 O ATOM 750 OE2 GLU A 48 -8.256 18.497 -0.881 1.00 0.00 O ATOM 0 H GLU A 48 -5.817 17.940 4.923 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.304 17.410 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.326 16.350 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.319 17.516 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.724 19.254 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.690 18.117 0.197 1.00 0.00 H new ATOM 757 N LEU A 49 -5.868 20.012 3.762 1.00 0.00 N ATOM 758 CA LEU A 49 -5.830 21.466 3.857 1.00 0.00 C ATOM 759 C LEU A 49 -4.452 21.940 4.303 1.00 0.00 C ATOM 760 O LEU A 49 -3.924 22.923 3.783 1.00 0.00 O ATOM 761 CB LEU A 49 -6.896 21.962 4.836 1.00 0.00 C ATOM 762 CG LEU A 49 -8.295 21.375 4.627 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.944 21.047 5.964 1.00 0.00 C ATOM 764 CD2 LEU A 49 -9.165 22.340 3.834 1.00 0.00 C ATOM 0 H LEU A 49 -6.547 19.565 4.377 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.037 21.879 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.570 21.732 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.960 23.048 4.760 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.198 20.451 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.937 20.631 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.332 20.319 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.028 21.956 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.155 21.907 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.254 23.281 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.710 22.525 2.861 1.00 0.00 H new ATOM 776 N LYS A 50 -3.871 21.230 5.264 1.00 0.00 N ATOM 777 CA LYS A 50 -2.549 21.573 5.773 1.00 0.00 C ATOM 778 C LYS A 50 -1.466 20.871 4.963 1.00 0.00 C ATOM 779 O LYS A 50 -0.440 21.465 4.630 1.00 0.00 O ATOM 780 CB LYS A 50 -2.429 21.189 7.250 1.00 0.00 C ATOM 781 CG LYS A 50 -1.152 21.689 7.906 1.00 0.00 C ATOM 782 CD LYS A 50 -0.981 21.113 9.303 1.00 0.00 C ATOM 783 CE LYS A 50 -0.004 19.950 9.311 1.00 0.00 C ATOM 784 NZ LYS A 50 1.407 20.410 9.428 1.00 0.00 N ATOM 0 H LYS A 50 -4.295 20.414 5.706 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.415 22.650 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.286 21.588 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.473 20.104 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.295 21.416 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.171 22.777 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.626 21.892 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.948 20.780 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.239 19.285 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.122 19.371 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.042 19.586 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.640 21.025 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.527 20.941 10.314 1.00 0.00 H new ATOM 798 N THR A 51 -1.704 19.603 4.644 1.00 0.00 N ATOM 799 CA THR A 51 -0.754 18.816 3.866 1.00 0.00 C ATOM 800 C THR A 51 -1.418 17.563 3.305 1.00 0.00 C ATOM 801 O THR A 51 -1.690 16.611 4.036 1.00 0.00 O ATOM 802 CB THR A 51 0.450 18.429 4.727 1.00 0.00 C ATOM 803 OG1 THR A 51 0.783 19.472 5.625 1.00 0.00 O ATOM 804 CG2 THR A 51 1.687 18.110 3.915 1.00 0.00 C ATOM 0 H THR A 51 -2.548 19.098 4.913 1.00 0.00 H new ATOM 0 HA THR A 51 -0.411 19.428 3.032 1.00 0.00 H new ATOM 0 HB THR A 51 0.144 17.531 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.673 20.337 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.504 17.843 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.478 17.274 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.971 18.982 3.326 1.00 0.00 H new ATOM 812 N MET A 52 -1.676 17.573 2.001 1.00 0.00 N ATOM 813 CA MET A 52 -2.308 16.440 1.338 1.00 0.00 C ATOM 814 C MET A 52 -1.261 15.498 0.752 1.00 0.00 C ATOM 815 O MET A 52 -0.342 15.932 0.056 1.00 0.00 O ATOM 816 CB MET A 52 -3.246 16.930 0.233 1.00 0.00 C ATOM 817 CG MET A 52 -4.199 15.859 -0.272 1.00 0.00 C ATOM 818 SD MET A 52 -3.657 15.124 -1.827 1.00 0.00 S ATOM 819 CE MET A 52 -3.870 16.506 -2.947 1.00 0.00 C ATOM 0 H MET A 52 -1.457 18.354 1.383 1.00 0.00 H new ATOM 0 HA MET A 52 -2.887 15.892 2.081 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.826 17.774 0.607 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.650 17.298 -0.602 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.293 15.077 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.190 16.293 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.996 16.134 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.752 17.077 -2.657 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.991 17.149 -2.902 1.00 0.00 H new ATOM 829 N LEU A 53 -1.406 14.207 1.036 1.00 0.00 N ATOM 830 CA LEU A 53 -0.473 13.205 0.537 1.00 0.00 C ATOM 831 C LEU A 53 -1.115 12.361 -0.560 1.00 0.00 C ATOM 832 O LEU A 53 -1.995 11.541 -0.291 1.00 0.00 O ATOM 833 CB LEU A 53 0.000 12.303 1.679 1.00 0.00 C ATOM 834 CG LEU A 53 0.282 13.022 2.999 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.669 12.024 4.078 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.377 14.062 2.813 1.00 0.00 C ATOM 0 H LEU A 53 -2.161 13.831 1.609 1.00 0.00 H new ATOM 0 HA LEU A 53 0.387 13.725 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.756 11.538 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.907 11.788 1.363 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.627 13.532 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.866 12.554 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.146 11.316 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.565 11.485 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.566 14.565 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.290 13.572 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.061 14.795 2.071 1.00 0.00 H new ATOM 848 N GLY A 54 -0.672 12.567 -1.795 1.00 0.00 N ATOM 849 CA GLY A 54 -1.215 11.817 -2.913 1.00 0.00 C ATOM 850 C GLY A 54 -0.575 10.450 -3.060 1.00 0.00 C ATOM 851 O GLY A 54 -1.228 9.428 -2.848 1.00 0.00 O ATOM 0 H GLY A 54 0.053 13.240 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.290 11.699 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.069 12.384 -3.832 1.00 0.00 H new ATOM 855 N ASN A 55 0.704 10.435 -3.423 1.00 0.00 N ATOM 856 CA ASN A 55 1.440 9.186 -3.602 1.00 0.00 C ATOM 857 C ASN A 55 0.893 8.389 -4.783 1.00 0.00 C ATOM 858 O ASN A 55 1.534 8.296 -5.830 1.00 0.00 O ATOM 859 CB ASN A 55 1.379 8.340 -2.326 1.00 0.00 C ATOM 860 CG ASN A 55 1.898 9.083 -1.113 1.00 0.00 C ATOM 861 OD1 ASN A 55 1.143 9.763 -0.417 1.00 0.00 O ATOM 862 ND2 ASN A 55 3.195 8.960 -0.852 1.00 0.00 N ATOM 0 H ASN A 55 1.254 11.276 -3.600 1.00 0.00 H new ATOM 0 HA ASN A 55 2.479 9.439 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.349 8.033 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.963 7.431 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.601 9.439 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.784 8.386 -1.455 1.00 0.00 H new ATOM 1299 N SER B 102 2.451 -9.988 -5.690 1.00 0.00 N ATOM 1300 CA SER B 102 2.091 -9.923 -4.277 1.00 0.00 C ATOM 1301 C SER B 102 0.588 -10.096 -4.088 1.00 0.00 C ATOM 1302 O SER B 102 -0.155 -9.118 -4.031 1.00 0.00 O ATOM 1303 CB SER B 102 2.543 -8.591 -3.674 1.00 0.00 C ATOM 1304 OG SER B 102 3.130 -8.780 -2.398 1.00 0.00 O ATOM 0 HA SER B 102 2.599 -10.738 -3.762 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.261 -8.112 -4.340 1.00 0.00 H new ATOM 0 HB3 SER B 102 1.689 -7.919 -3.589 1.00 0.00 H new ATOM 0 HG SER B 102 3.207 -7.916 -1.942 1.00 0.00 H new ATOM 1310 N ARG B 103 0.150 -11.346 -3.987 1.00 0.00 N ATOM 1311 CA ARG B 103 -1.265 -11.649 -3.800 1.00 0.00 C ATOM 1312 C ARG B 103 -1.586 -11.826 -2.322 1.00 0.00 C ATOM 1313 O ARG B 103 -0.965 -12.643 -1.641 1.00 0.00 O ATOM 1314 CB ARG B 103 -1.636 -12.918 -4.573 1.00 0.00 C ATOM 1315 CG ARG B 103 -3.126 -13.065 -4.839 1.00 0.00 C ATOM 1316 CD ARG B 103 -3.462 -14.451 -5.363 1.00 0.00 C ATOM 1317 NE ARG B 103 -2.679 -14.795 -6.548 1.00 0.00 N ATOM 1318 CZ ARG B 103 -3.049 -14.508 -7.794 1.00 0.00 C ATOM 1319 NH1 ARG B 103 -4.186 -13.862 -8.028 1.00 0.00 N ATOM 1320 NH2 ARG B 103 -2.278 -14.866 -8.813 1.00 0.00 N ATOM 0 H ARG B 103 0.754 -12.166 -4.031 1.00 0.00 H new ATOM 0 HA ARG B 103 -1.851 -10.813 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -1.105 -12.920 -5.525 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -1.290 -13.787 -4.013 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -3.681 -12.877 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -3.444 -12.314 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -3.279 -15.188 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -4.524 -14.499 -5.604 1.00 0.00 H new ATOM 0 HE ARG B 103 -1.795 -15.285 -6.412 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -4.783 -13.582 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -4.462 -13.646 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -1.403 -15.361 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -2.561 -14.647 -9.768 1.00 0.00 H new ATOM 1334 N LEU B 104 -2.548 -11.053 -1.820 1.00 0.00 N ATOM 1335 CA LEU B 104 -2.920 -11.137 -0.415 1.00 0.00 C ATOM 1336 C LEU B 104 -4.330 -11.700 -0.248 1.00 0.00 C ATOM 1337 O LEU B 104 -5.246 -11.345 -0.991 1.00 0.00 O ATOM 1338 CB LEU B 104 -2.799 -9.751 0.239 1.00 0.00 C ATOM 1339 CG LEU B 104 -4.117 -9.091 0.668 1.00 0.00 C ATOM 1340 CD1 LEU B 104 -4.443 -9.443 2.110 1.00 0.00 C ATOM 1341 CD2 LEU B 104 -4.042 -7.583 0.489 1.00 0.00 C ATOM 0 H LEU B 104 -3.077 -10.369 -2.361 1.00 0.00 H new ATOM 0 HA LEU B 104 -2.236 -11.823 0.085 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -2.158 -9.840 1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -2.293 -9.085 -0.459 1.00 0.00 H new ATOM 0 HG LEU B 104 -4.916 -9.472 0.032 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -5.380 -8.967 2.398 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -4.540 -10.524 2.208 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.642 -9.091 2.760 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -4.985 -7.133 0.798 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -3.232 -7.184 1.100 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -3.855 -7.350 -0.559 1.00 0.00 H new ATOM 1353 N THR B 105 -4.499 -12.564 0.746 1.00 0.00 N ATOM 1354 CA THR B 105 -5.798 -13.157 1.029 1.00 0.00 C ATOM 1355 C THR B 105 -6.464 -12.405 2.174 1.00 0.00 C ATOM 1356 O THR B 105 -5.834 -12.133 3.194 1.00 0.00 O ATOM 1357 CB THR B 105 -5.649 -14.637 1.385 1.00 0.00 C ATOM 1358 OG1 THR B 105 -4.565 -15.215 0.681 1.00 0.00 O ATOM 1359 CG2 THR B 105 -6.885 -15.452 1.074 1.00 0.00 C ATOM 0 H THR B 105 -3.751 -12.869 1.369 1.00 0.00 H new ATOM 0 HA THR B 105 -6.421 -13.082 0.138 1.00 0.00 H new ATOM 0 HB THR B 105 -5.478 -14.661 2.461 1.00 0.00 H new ATOM 0 HG1 THR B 105 -4.485 -16.161 0.923 1.00 0.00 H new ATOM 0 HG21 THR B 105 -6.714 -16.492 1.350 1.00 0.00 H new ATOM 0 HG22 THR B 105 -7.731 -15.061 1.640 1.00 0.00 H new ATOM 0 HG23 THR B 105 -7.103 -15.390 0.008 1.00 0.00 H new ATOM 1367 N ILE B 106 -7.730 -12.051 1.996 1.00 0.00 N ATOM 1368 CA ILE B 106 -8.461 -11.307 3.014 1.00 0.00 C ATOM 1369 C ILE B 106 -9.737 -12.025 3.430 1.00 0.00 C ATOM 1370 O ILE B 106 -10.452 -12.573 2.594 1.00 0.00 O ATOM 1371 CB ILE B 106 -8.803 -9.890 2.506 1.00 0.00 C ATOM 1372 CG1 ILE B 106 -7.560 -9.009 2.533 1.00 0.00 C ATOM 1373 CG2 ILE B 106 -9.915 -9.257 3.326 1.00 0.00 C ATOM 1374 CD1 ILE B 106 -7.125 -8.570 1.161 1.00 0.00 C ATOM 0 H ILE B 106 -8.271 -12.266 1.159 1.00 0.00 H new ATOM 0 HA ILE B 106 -7.814 -11.233 3.888 1.00 0.00 H new ATOM 0 HB ILE B 106 -9.157 -9.979 1.479 1.00 0.00 H new ATOM 0 HG12 ILE B 106 -7.757 -8.129 3.145 1.00 0.00 H new ATOM 0 HG13 ILE B 106 -6.745 -9.553 3.010 1.00 0.00 H new ATOM 0 HG21 ILE B 106 -10.129 -8.260 2.940 1.00 0.00 H new ATOM 0 HG22 ILE B 106 -10.812 -9.873 3.259 1.00 0.00 H new ATOM 0 HG23 ILE B 106 -9.602 -9.183 4.368 1.00 0.00 H new ATOM 0 HD11 ILE B 106 -6.235 -7.946 1.244 1.00 0.00 H new ATOM 0 HD12 ILE B 106 -6.898 -9.446 0.554 1.00 0.00 H new ATOM 0 HD13 ILE B 106 -7.926 -8.000 0.690 1.00 0.00 H new ATOM 1386 N ASP B 107 -10.023 -12.003 4.729 1.00 0.00 N ATOM 1387 CA ASP B 107 -11.222 -12.639 5.253 1.00 0.00 C ATOM 1388 C ASP B 107 -12.330 -11.611 5.446 1.00 0.00 C ATOM 1389 O ASP B 107 -12.146 -10.602 6.127 1.00 0.00 O ATOM 1390 CB ASP B 107 -10.916 -13.339 6.580 1.00 0.00 C ATOM 1391 CG ASP B 107 -11.993 -14.330 6.971 1.00 0.00 C ATOM 1392 OD1 ASP B 107 -13.172 -14.091 6.636 1.00 0.00 O ATOM 1393 OD2 ASP B 107 -11.658 -15.349 7.614 1.00 0.00 O ATOM 0 H ASP B 107 -9.441 -11.552 5.435 1.00 0.00 H new ATOM 0 HA ASP B 107 -11.560 -13.384 4.533 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -9.960 -13.857 6.503 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -10.811 -12.592 7.366 1.00 0.00 H new ATOM 1398 N MET B 108 -13.477 -11.876 4.837 1.00 0.00 N ATOM 1399 CA MET B 108 -14.624 -10.982 4.929 1.00 0.00 C ATOM 1400 C MET B 108 -15.873 -11.746 5.345 1.00 0.00 C ATOM 1401 O MET B 108 -15.923 -12.973 5.246 1.00 0.00 O ATOM 1402 CB MET B 108 -14.870 -10.268 3.593 1.00 0.00 C ATOM 1403 CG MET B 108 -13.732 -10.406 2.590 1.00 0.00 C ATOM 1404 SD MET B 108 -13.689 -9.053 1.401 1.00 0.00 S ATOM 1405 CE MET B 108 -12.355 -8.071 2.077 1.00 0.00 C ATOM 0 H MET B 108 -13.639 -12.708 4.270 1.00 0.00 H new ATOM 0 HA MET B 108 -14.401 -10.233 5.689 1.00 0.00 H new ATOM 0 HB2 MET B 108 -15.783 -10.663 3.146 1.00 0.00 H new ATOM 0 HB3 MET B 108 -15.042 -9.209 3.786 1.00 0.00 H new ATOM 0 HG2 MET B 108 -12.783 -10.445 3.125 1.00 0.00 H new ATOM 0 HG3 MET B 108 -13.835 -11.351 2.056 1.00 0.00 H new ATOM 0 HE1 MET B 108 -12.708 -7.057 2.263 1.00 0.00 H new ATOM 0 HE2 MET B 108 -12.015 -8.514 3.013 1.00 0.00 H new ATOM 0 HE3 MET B 108 -11.528 -8.043 1.368 1.00 0.00 H new ATOM 1415 N THR B 109 -16.884 -11.018 5.803 1.00 0.00 N ATOM 1416 CA THR B 109 -18.134 -11.636 6.224 1.00 0.00 C ATOM 1417 C THR B 109 -19.035 -11.881 5.017 1.00 0.00 C ATOM 1418 O THR B 109 -18.957 -11.167 4.018 1.00 0.00 O ATOM 1419 CB THR B 109 -18.849 -10.756 7.253 1.00 0.00 C ATOM 1420 OG1 THR B 109 -18.196 -9.506 7.390 1.00 0.00 O ATOM 1421 CG2 THR B 109 -18.920 -11.387 8.625 1.00 0.00 C ATOM 0 H THR B 109 -16.863 -10.002 5.892 1.00 0.00 H new ATOM 0 HA THR B 109 -17.906 -12.595 6.690 1.00 0.00 H new ATOM 0 HB THR B 109 -19.862 -10.630 6.871 1.00 0.00 H new ATOM 0 HG1 THR B 109 -18.569 -9.024 8.158 1.00 0.00 H new ATOM 0 HG21 THR B 109 -19.438 -10.714 9.309 1.00 0.00 H new ATOM 0 HG22 THR B 109 -19.462 -12.331 8.564 1.00 0.00 H new ATOM 0 HG23 THR B 109 -17.911 -11.572 8.993 1.00 0.00 H new ATOM 1429 N ASP B 110 -19.882 -12.902 5.113 1.00 0.00 N ATOM 1430 CA ASP B 110 -20.792 -13.255 4.026 1.00 0.00 C ATOM 1431 C ASP B 110 -21.487 -12.027 3.443 1.00 0.00 C ATOM 1432 O ASP B 110 -21.417 -11.775 2.240 1.00 0.00 O ATOM 1433 CB ASP B 110 -21.839 -14.255 4.521 1.00 0.00 C ATOM 1434 CG ASP B 110 -22.500 -15.011 3.385 1.00 0.00 C ATOM 1435 OD1 ASP B 110 -21.795 -15.773 2.689 1.00 0.00 O ATOM 1436 OD2 ASP B 110 -23.722 -14.841 3.190 1.00 0.00 O ATOM 0 H ASP B 110 -19.958 -13.501 5.935 1.00 0.00 H new ATOM 0 HA ASP B 110 -20.195 -13.708 3.234 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -21.367 -14.965 5.200 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -22.601 -13.726 5.093 1.00 0.00 H new ATOM 1441 N GLN B 111 -22.165 -11.271 4.300 1.00 0.00 N ATOM 1442 CA GLN B 111 -22.881 -10.076 3.865 1.00 0.00 C ATOM 1443 C GLN B 111 -21.920 -8.971 3.435 1.00 0.00 C ATOM 1444 O GLN B 111 -22.169 -8.268 2.455 1.00 0.00 O ATOM 1445 CB GLN B 111 -23.788 -9.568 4.987 1.00 0.00 C ATOM 1446 CG GLN B 111 -24.809 -8.542 4.524 1.00 0.00 C ATOM 1447 CD GLN B 111 -26.119 -9.176 4.101 1.00 0.00 C ATOM 1448 OE1 GLN B 111 -26.903 -9.630 4.936 1.00 0.00 O ATOM 1449 NE2 GLN B 111 -26.365 -9.212 2.796 1.00 0.00 N ATOM 0 H GLN B 111 -22.234 -11.464 5.299 1.00 0.00 H new ATOM 0 HA GLN B 111 -23.488 -10.349 3.002 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -24.311 -10.414 5.432 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -23.171 -9.127 5.770 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -24.996 -7.832 5.329 1.00 0.00 H new ATOM 0 HG3 GLN B 111 -24.397 -7.976 3.689 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -25.688 -8.824 2.139 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -27.231 -9.627 2.451 1.00 0.00 H new ATOM 1458 N GLN B 112 -20.829 -8.810 4.176 1.00 0.00 N ATOM 1459 CA GLN B 112 -19.843 -7.778 3.872 1.00 0.00 C ATOM 1460 C GLN B 112 -19.197 -8.008 2.508 1.00 0.00 C ATOM 1461 O GLN B 112 -19.114 -7.092 1.691 1.00 0.00 O ATOM 1462 CB GLN B 112 -18.766 -7.738 4.957 1.00 0.00 C ATOM 1463 CG GLN B 112 -19.067 -6.752 6.075 1.00 0.00 C ATOM 1464 CD GLN B 112 -17.875 -5.881 6.420 1.00 0.00 C ATOM 1465 OE1 GLN B 112 -17.524 -5.725 7.590 1.00 0.00 O ATOM 1466 NE2 GLN B 112 -17.245 -5.308 5.402 1.00 0.00 N ATOM 0 H GLN B 112 -20.605 -9.380 4.991 1.00 0.00 H new ATOM 0 HA GLN B 112 -20.363 -6.820 3.844 1.00 0.00 H new ATOM 0 HB2 GLN B 112 -18.654 -8.735 5.383 1.00 0.00 H new ATOM 0 HB3 GLN B 112 -17.811 -7.477 4.501 1.00 0.00 H new ATOM 0 HG2 GLN B 112 -19.903 -6.118 5.780 1.00 0.00 H new ATOM 0 HG3 GLN B 112 -19.381 -7.300 6.963 1.00 0.00 H new ATOM 0 HE21 GLN B 112 -17.570 -5.465 4.448 1.00 0.00 H new ATOM 0 HE22 GLN B 112 -16.436 -4.711 5.574 1.00 0.00 H new ATOM 1475 N HIS B 113 -18.738 -9.230 2.269 1.00 0.00 N ATOM 1476 CA HIS B 113 -18.095 -9.567 1.003 1.00 0.00 C ATOM 1477 C HIS B 113 -19.045 -9.361 -0.170 1.00 0.00 C ATOM 1478 O HIS B 113 -18.614 -9.097 -1.281 1.00 0.00 O ATOM 1479 CB HIS B 113 -17.606 -11.015 1.018 1.00 0.00 C ATOM 1480 CG HIS B 113 -16.563 -11.314 -0.019 1.00 0.00 C ATOM 1481 ND1 HIS B 113 -15.891 -12.517 -0.077 1.00 0.00 N ATOM 1482 CD2 HIS B 113 -16.076 -10.566 -1.044 1.00 0.00 C ATOM 1483 CE1 HIS B 113 -15.040 -12.497 -1.087 1.00 0.00 C ATOM 1484 NE2 HIS B 113 -15.133 -11.326 -1.689 1.00 0.00 N ATOM 0 H HIS B 113 -18.798 -10.003 2.932 1.00 0.00 H new ATOM 0 HA HIS B 113 -17.241 -8.900 0.880 1.00 0.00 H new ATOM 0 HB2 HIS B 113 -17.200 -11.241 2.004 1.00 0.00 H new ATOM 0 HB3 HIS B 113 -18.458 -11.678 0.865 1.00 0.00 H new ATOM 0 HD2 HIS B 113 -16.375 -9.561 -1.303 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -14.380 -13.303 -1.372 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -14.591 -11.033 -2.502 1.00 0.00 H new ATOM 1493 N GLN B 114 -20.339 -9.482 0.085 1.00 0.00 N ATOM 1494 CA GLN B 114 -21.342 -9.310 -0.955 1.00 0.00 C ATOM 1495 C GLN B 114 -21.482 -7.843 -1.319 1.00 0.00 C ATOM 1496 O GLN B 114 -21.763 -7.499 -2.466 1.00 0.00 O ATOM 1497 CB GLN B 114 -22.691 -9.868 -0.496 1.00 0.00 C ATOM 1498 CG GLN B 114 -22.804 -11.377 -0.639 1.00 0.00 C ATOM 1499 CD GLN B 114 -24.238 -11.865 -0.565 1.00 0.00 C ATOM 1500 OE1 GLN B 114 -24.826 -12.254 -1.573 1.00 0.00 O ATOM 1501 NE2 GLN B 114 -24.807 -11.845 0.635 1.00 0.00 N ATOM 0 H GLN B 114 -20.720 -9.699 1.006 1.00 0.00 H new ATOM 0 HA GLN B 114 -21.018 -9.861 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN B 114 -22.851 -9.597 0.548 1.00 0.00 H new ATOM 0 HB3 GLN B 114 -23.486 -9.396 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN B 114 -22.369 -11.681 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN B 114 -22.220 -11.857 0.146 1.00 0.00 H new ATOM 0 HE21 GLN B 114 -24.281 -11.514 1.444 1.00 0.00 H new ATOM 0 HE22 GLN B 114 -25.770 -12.161 0.748 1.00 0.00 H new ATOM 1510 N SER B 115 -21.277 -6.980 -0.333 1.00 0.00 N ATOM 1511 CA SER B 115 -21.375 -5.550 -0.553 1.00 0.00 C ATOM 1512 C SER B 115 -20.290 -5.087 -1.518 1.00 0.00 C ATOM 1513 O SER B 115 -20.564 -4.377 -2.485 1.00 0.00 O ATOM 1514 CB SER B 115 -21.259 -4.797 0.775 1.00 0.00 C ATOM 1515 OG SER B 115 -22.417 -4.018 1.023 1.00 0.00 O ATOM 0 H SER B 115 -21.043 -7.248 0.623 1.00 0.00 H new ATOM 0 HA SER B 115 -22.349 -5.333 -0.992 1.00 0.00 H new ATOM 0 HB2 SER B 115 -21.114 -5.508 1.588 1.00 0.00 H new ATOM 0 HB3 SER B 115 -20.380 -4.152 0.755 1.00 0.00 H new ATOM 0 HG SER B 115 -22.319 -3.549 1.878 1.00 0.00 H new ATOM 1521 N LEU B 116 -19.054 -5.497 -1.248 1.00 0.00 N ATOM 1522 CA LEU B 116 -17.924 -5.130 -2.090 1.00 0.00 C ATOM 1523 C LEU B 116 -17.827 -6.029 -3.319 1.00 0.00 C ATOM 1524 O LEU B 116 -17.609 -5.546 -4.429 1.00 0.00 O ATOM 1525 CB LEU B 116 -16.622 -5.187 -1.291 1.00 0.00 C ATOM 1526 CG LEU B 116 -16.080 -3.828 -0.840 1.00 0.00 C ATOM 1527 CD1 LEU B 116 -15.349 -3.144 -1.985 1.00 0.00 C ATOM 1528 CD2 LEU B 116 -17.204 -2.940 -0.319 1.00 0.00 C ATOM 0 H LEU B 116 -18.811 -6.085 -0.451 1.00 0.00 H new ATOM 0 HA LEU B 116 -18.086 -4.108 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -16.781 -5.809 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -15.863 -5.681 -1.897 1.00 0.00 H new ATOM 0 HG LEU B 116 -15.375 -3.995 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -14.969 -2.179 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -14.517 -3.768 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -16.036 -2.994 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -16.794 -1.980 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -17.937 -2.780 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -17.686 -3.424 0.530 1.00 0.00 H new ATOM 1540 N LYS B 117 -17.990 -7.337 -3.125 1.00 0.00 N ATOM 1541 CA LYS B 117 -17.917 -8.274 -4.244 1.00 0.00 C ATOM 1542 C LYS B 117 -18.940 -7.890 -5.309 1.00 0.00 C ATOM 1543 O LYS B 117 -18.617 -7.799 -6.493 1.00 0.00 O ATOM 1544 CB LYS B 117 -18.148 -9.712 -3.768 1.00 0.00 C ATOM 1545 CG LYS B 117 -17.539 -10.767 -4.676 1.00 0.00 C ATOM 1546 CD LYS B 117 -18.177 -10.748 -6.051 1.00 0.00 C ATOM 1547 CE LYS B 117 -17.294 -10.032 -7.056 1.00 0.00 C ATOM 1548 NZ LYS B 117 -16.390 -10.970 -7.775 1.00 0.00 N ATOM 0 H LYS B 117 -18.171 -7.767 -2.218 1.00 0.00 H new ATOM 0 HA LYS B 117 -16.918 -8.222 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS B 117 -17.732 -9.824 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS B 117 -19.220 -9.890 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS B 117 -16.467 -10.595 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS B 117 -17.666 -11.752 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS B 117 -18.358 -11.770 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS B 117 -19.147 -10.254 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS B 117 -17.919 -9.507 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS B 117 -16.698 -9.278 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -15.955 -10.482 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 -15.645 -11.299 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 -16.937 -11.786 -8.116 1.00 0.00 H new ATOM 1562 N ALA B 118 -20.171 -7.644 -4.877 1.00 0.00 N ATOM 1563 CA ALA B 118 -21.232 -7.248 -5.791 1.00 0.00 C ATOM 1564 C ALA B 118 -20.881 -5.928 -6.468 1.00 0.00 C ATOM 1565 O ALA B 118 -21.011 -5.787 -7.684 1.00 0.00 O ATOM 1566 CB ALA B 118 -22.556 -7.131 -5.051 1.00 0.00 C ATOM 0 H ALA B 118 -20.458 -7.712 -3.900 1.00 0.00 H new ATOM 0 HA ALA B 118 -21.334 -8.016 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -23.338 -6.834 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.811 -8.094 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.468 -6.381 -4.265 1.00 0.00 H new ATOM 1572 N LEU B 119 -20.419 -4.966 -5.671 1.00 0.00 N ATOM 1573 CA LEU B 119 -20.031 -3.662 -6.194 1.00 0.00 C ATOM 1574 C LEU B 119 -18.884 -3.811 -7.184 1.00 0.00 C ATOM 1575 O LEU B 119 -18.794 -3.074 -8.166 1.00 0.00 O ATOM 1576 CB LEU B 119 -19.623 -2.730 -5.051 1.00 0.00 C ATOM 1577 CG LEU B 119 -20.666 -1.676 -4.682 1.00 0.00 C ATOM 1578 CD1 LEU B 119 -20.783 -1.542 -3.170 1.00 0.00 C ATOM 1579 CD2 LEU B 119 -20.318 -0.336 -5.313 1.00 0.00 C ATOM 0 H LEU B 119 -20.305 -5.067 -4.662 1.00 0.00 H new ATOM 0 HA LEU B 119 -20.886 -3.227 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU B 119 -19.408 -3.333 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU B 119 -18.697 -2.225 -5.326 1.00 0.00 H new ATOM 0 HG LEU B 119 -21.631 -1.999 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU B 119 -21.531 -0.787 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU B 119 -21.082 -2.499 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU B 119 -19.820 -1.245 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU B 119 -21.072 0.402 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU B 119 -19.342 -0.008 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU B 119 -20.290 -0.441 -6.398 1.00 0.00 H new ATOM 1591 N ALA B 120 -18.015 -4.782 -6.922 1.00 0.00 N ATOM 1592 CA ALA B 120 -16.877 -5.048 -7.791 1.00 0.00 C ATOM 1593 C ALA B 120 -17.346 -5.329 -9.214 1.00 0.00 C ATOM 1594 O ALA B 120 -16.877 -4.713 -10.170 1.00 0.00 O ATOM 1595 CB ALA B 120 -16.073 -6.221 -7.252 1.00 0.00 C ATOM 0 H ALA B 120 -18.079 -5.399 -6.112 1.00 0.00 H new ATOM 0 HA ALA B 120 -16.237 -4.166 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -15.224 -6.412 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -15.712 -5.985 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -16.706 -7.107 -7.210 1.00 0.00 H new ATOM 1601 N ALA B 121 -18.290 -6.259 -9.339 1.00 0.00 N ATOM 1602 CA ALA B 121 -18.847 -6.626 -10.629 1.00 0.00 C ATOM 1603 C ALA B 121 -19.740 -5.521 -11.168 1.00 0.00 C ATOM 1604 O ALA B 121 -19.860 -5.335 -12.380 1.00 0.00 O ATOM 1605 CB ALA B 121 -19.625 -7.926 -10.510 1.00 0.00 C ATOM 0 H ALA B 121 -18.685 -6.774 -8.552 1.00 0.00 H new ATOM 0 HA ALA B 121 -18.025 -6.769 -11.331 1.00 0.00 H new ATOM 0 HB1 ALA B 121 -20.039 -8.193 -11.483 1.00 0.00 H new ATOM 0 HB2 ALA B 121 -18.959 -8.719 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA B 121 -20.436 -7.800 -9.793 1.00 0.00 H new ATOM 1611 N LEU B 122 -20.371 -4.793 -10.256 1.00 0.00 N ATOM 1612 CA LEU B 122 -21.266 -3.709 -10.628 1.00 0.00 C ATOM 1613 C LEU B 122 -20.505 -2.557 -11.275 1.00 0.00 C ATOM 1614 O LEU B 122 -21.060 -1.805 -12.077 1.00 0.00 O ATOM 1615 CB LEU B 122 -22.027 -3.211 -9.399 1.00 0.00 C ATOM 1616 CG LEU B 122 -23.507 -3.582 -9.375 1.00 0.00 C ATOM 1617 CD1 LEU B 122 -23.696 -4.973 -8.791 1.00 0.00 C ATOM 1618 CD2 LEU B 122 -24.304 -2.553 -8.586 1.00 0.00 C ATOM 0 H LEU B 122 -20.278 -4.936 -9.250 1.00 0.00 H new ATOM 0 HA LEU B 122 -21.976 -4.095 -11.359 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -21.550 -3.613 -8.505 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -21.937 -2.126 -9.347 1.00 0.00 H new ATOM 0 HG LEU B 122 -23.879 -3.587 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -24.757 -5.222 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.158 -5.700 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -23.308 -4.996 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -25.357 -2.835 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -23.933 -2.513 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -24.193 -1.573 -9.050 1.00 0.00 H new ATOM 1630 N GLN B 123 -19.236 -2.420 -10.914 1.00 0.00 N ATOM 1631 CA GLN B 123 -18.396 -1.353 -11.449 1.00 0.00 C ATOM 1632 C GLN B 123 -17.687 -1.784 -12.735 1.00 0.00 C ATOM 1633 O GLN B 123 -16.580 -1.331 -13.023 1.00 0.00 O ATOM 1634 CB GLN B 123 -17.370 -0.922 -10.399 1.00 0.00 C ATOM 1635 CG GLN B 123 -17.669 0.434 -9.783 1.00 0.00 C ATOM 1636 CD GLN B 123 -17.155 1.585 -10.627 1.00 0.00 C ATOM 1637 OE1 GLN B 123 -16.094 2.146 -10.352 1.00 0.00 O ATOM 1638 NE2 GLN B 123 -17.908 1.943 -11.661 1.00 0.00 N ATOM 0 H GLN B 123 -18.764 -3.035 -10.252 1.00 0.00 H new ATOM 0 HA GLN B 123 -19.041 -0.509 -11.694 1.00 0.00 H new ATOM 0 HB2 GLN B 123 -17.334 -1.672 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN B 123 -16.382 -0.894 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN B 123 -18.746 0.539 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN B 123 -17.219 0.486 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN B 123 -18.780 1.450 -11.852 1.00 0.00 H new ATOM 0 HE22 GLN B 123 -17.614 2.711 -12.264 1.00 0.00 H new ATOM 1647 N GLY B 124 -18.334 -2.652 -13.510 1.00 0.00 N ATOM 1648 CA GLY B 124 -17.751 -3.116 -14.758 1.00 0.00 C ATOM 1649 C GLY B 124 -16.352 -3.678 -14.587 1.00 0.00 C ATOM 1650 O GLY B 124 -15.497 -3.501 -15.454 1.00 0.00 O ATOM 0 H GLY B 124 -19.252 -3.042 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -18.394 -3.883 -15.190 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -17.720 -2.289 -15.468 1.00 0.00 H new ATOM 1654 N LYS B 125 -16.121 -4.357 -13.470 1.00 0.00 N ATOM 1655 CA LYS B 125 -14.817 -4.948 -13.191 1.00 0.00 C ATOM 1656 C LYS B 125 -14.935 -6.047 -12.140 1.00 0.00 C ATOM 1657 O LYS B 125 -16.036 -6.413 -11.738 1.00 0.00 O ATOM 1658 CB LYS B 125 -13.838 -3.871 -12.717 1.00 0.00 C ATOM 1659 CG LYS B 125 -14.313 -3.117 -11.486 1.00 0.00 C ATOM 1660 CD LYS B 125 -13.187 -2.318 -10.850 1.00 0.00 C ATOM 1661 CE LYS B 125 -12.671 -1.238 -11.787 1.00 0.00 C ATOM 1662 NZ LYS B 125 -11.198 -1.056 -11.666 1.00 0.00 N ATOM 0 H LYS B 125 -16.819 -4.512 -12.743 1.00 0.00 H new ATOM 0 HA LYS B 125 -14.438 -5.391 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS B 125 -12.876 -4.336 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS B 125 -13.672 -3.160 -13.527 1.00 0.00 H new ATOM 0 HG2 LYS B 125 -15.126 -2.445 -11.761 1.00 0.00 H new ATOM 0 HG3 LYS B 125 -14.715 -3.823 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS B 125 -13.541 -1.861 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS B 125 -12.371 -2.988 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS B 125 -12.921 -1.499 -12.815 1.00 0.00 H new ATOM 0 HE3 LYS B 125 -13.173 -0.296 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 125 -10.885 -0.311 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 125 -10.961 -0.782 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 125 -10.718 -1.948 -11.901 1.00 0.00 H new ATOM 1676 N THR B 126 -13.798 -6.566 -11.695 1.00 0.00 N ATOM 1677 CA THR B 126 -13.787 -7.618 -10.685 1.00 0.00 C ATOM 1678 C THR B 126 -13.137 -7.120 -9.400 1.00 0.00 C ATOM 1679 O THR B 126 -12.194 -6.329 -9.440 1.00 0.00 O ATOM 1680 CB THR B 126 -13.042 -8.849 -11.205 1.00 0.00 C ATOM 1681 OG1 THR B 126 -11.668 -8.560 -11.397 1.00 0.00 O ATOM 1682 CG2 THR B 126 -13.590 -9.371 -12.515 1.00 0.00 C ATOM 0 H THR B 126 -12.874 -6.277 -12.016 1.00 0.00 H new ATOM 0 HA THR B 126 -14.819 -7.895 -10.470 1.00 0.00 H new ATOM 0 HB THR B 126 -13.181 -9.615 -10.442 1.00 0.00 H new ATOM 0 HG1 THR B 126 -11.209 -9.360 -11.728 1.00 0.00 H new ATOM 0 HG21 THR B 126 -13.017 -10.244 -12.827 1.00 0.00 H new ATOM 0 HG22 THR B 126 -14.636 -9.651 -12.386 1.00 0.00 H new ATOM 0 HG23 THR B 126 -13.513 -8.595 -13.277 1.00 0.00 H new ATOM 1690 N ILE B 127 -13.642 -7.583 -8.259 1.00 0.00 N ATOM 1691 CA ILE B 127 -13.098 -7.176 -6.967 1.00 0.00 C ATOM 1692 C ILE B 127 -11.577 -7.305 -6.962 1.00 0.00 C ATOM 1693 O ILE B 127 -10.878 -6.517 -6.325 1.00 0.00 O ATOM 1694 CB ILE B 127 -13.717 -7.987 -5.796 1.00 0.00 C ATOM 1695 CG1 ILE B 127 -12.870 -7.853 -4.528 1.00 0.00 C ATOM 1696 CG2 ILE B 127 -13.880 -9.450 -6.174 1.00 0.00 C ATOM 1697 CD1 ILE B 127 -13.652 -7.421 -3.310 1.00 0.00 C ATOM 0 H ILE B 127 -14.423 -8.237 -8.203 1.00 0.00 H new ATOM 0 HA ILE B 127 -13.364 -6.130 -6.816 1.00 0.00 H new ATOM 0 HB ILE B 127 -14.705 -7.574 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE B 127 -12.392 -8.810 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE B 127 -12.073 -7.132 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE B 127 -14.315 -9.996 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE B 127 -14.536 -9.531 -7.041 1.00 0.00 H new ATOM 0 HG23 ILE B 127 -12.905 -9.874 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE B 127 -12.981 -7.349 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE B 127 -14.108 -6.449 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE B 127 -14.432 -8.153 -3.100 1.00 0.00 H new ATOM 1709 N LYS B 128 -11.068 -8.286 -7.697 1.00 0.00 N ATOM 1710 CA LYS B 128 -9.629 -8.496 -7.794 1.00 0.00 C ATOM 1711 C LYS B 128 -8.924 -7.182 -8.139 1.00 0.00 C ATOM 1712 O LYS B 128 -7.755 -6.985 -7.810 1.00 0.00 O ATOM 1713 CB LYS B 128 -9.326 -9.553 -8.858 1.00 0.00 C ATOM 1714 CG LYS B 128 -7.868 -9.978 -8.906 1.00 0.00 C ATOM 1715 CD LYS B 128 -7.487 -10.788 -7.681 1.00 0.00 C ATOM 1716 CE LYS B 128 -8.205 -12.127 -7.646 1.00 0.00 C ATOM 1717 NZ LYS B 128 -7.911 -12.947 -8.853 1.00 0.00 N ATOM 0 H LYS B 128 -11.629 -8.948 -8.234 1.00 0.00 H new ATOM 0 HA LYS B 128 -9.258 -8.847 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS B 128 -9.944 -10.431 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS B 128 -9.613 -9.164 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS B 128 -7.689 -10.568 -9.805 1.00 0.00 H new ATOM 0 HG3 LYS B 128 -7.232 -9.095 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS B 128 -6.410 -10.953 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS B 128 -7.728 -10.222 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS B 128 -7.906 -12.676 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS B 128 -9.280 -11.961 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 128 -8.185 -13.935 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 128 -8.448 -12.577 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 128 -6.893 -12.903 -9.063 1.00 0.00 H new ATOM 1731 N GLN B 129 -9.657 -6.286 -8.797 1.00 0.00 N ATOM 1732 CA GLN B 129 -9.127 -4.982 -9.187 1.00 0.00 C ATOM 1733 C GLN B 129 -9.790 -3.874 -8.382 1.00 0.00 C ATOM 1734 O GLN B 129 -9.132 -2.952 -7.903 1.00 0.00 O ATOM 1735 CB GLN B 129 -9.375 -4.715 -10.676 1.00 0.00 C ATOM 1736 CG GLN B 129 -9.799 -5.942 -11.467 1.00 0.00 C ATOM 1737 CD GLN B 129 -9.649 -5.755 -12.964 1.00 0.00 C ATOM 1738 OE1 GLN B 129 -9.549 -4.630 -13.453 1.00 0.00 O ATOM 1739 NE2 GLN B 129 -9.632 -6.860 -13.700 1.00 0.00 N ATOM 0 H GLN B 129 -10.627 -6.442 -9.073 1.00 0.00 H new ATOM 0 HA GLN B 129 -8.055 -4.993 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -10.145 -3.950 -10.773 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -8.465 -4.309 -11.117 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -9.202 -6.797 -11.150 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -10.838 -6.176 -11.237 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -9.718 -7.772 -13.252 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -9.533 -6.796 -14.713 1.00 0.00 H new ATOM 1748 N TYR B 130 -11.108 -3.964 -8.269 1.00 0.00 N ATOM 1749 CA TYR B 130 -11.886 -2.964 -7.559 1.00 0.00 C ATOM 1750 C TYR B 130 -11.444 -2.833 -6.102 1.00 0.00 C ATOM 1751 O TYR B 130 -11.143 -1.737 -5.633 1.00 0.00 O ATOM 1752 CB TYR B 130 -13.363 -3.337 -7.624 1.00 0.00 C ATOM 1753 CG TYR B 130 -14.258 -2.361 -6.919 1.00 0.00 C ATOM 1754 CD1 TYR B 130 -14.287 -1.031 -7.301 1.00 0.00 C ATOM 1755 CD2 TYR B 130 -15.070 -2.768 -5.870 1.00 0.00 C ATOM 1756 CE1 TYR B 130 -15.106 -0.123 -6.656 1.00 0.00 C ATOM 1757 CE2 TYR B 130 -15.891 -1.870 -5.219 1.00 0.00 C ATOM 1758 CZ TYR B 130 -15.906 -0.549 -5.615 1.00 0.00 C ATOM 1759 OH TYR B 130 -16.724 0.350 -4.968 1.00 0.00 O ATOM 0 H TYR B 130 -11.661 -4.725 -8.663 1.00 0.00 H new ATOM 0 HA TYR B 130 -11.722 -1.999 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR B 130 -13.666 -3.407 -8.669 1.00 0.00 H new ATOM 0 HB3 TYR B 130 -13.500 -4.325 -7.185 1.00 0.00 H new ATOM 0 HD1 TYR B 130 -13.660 -0.698 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR B 130 -15.059 -3.802 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR B 130 -15.120 0.912 -6.964 1.00 0.00 H new ATOM 0 HE2 TYR B 130 -16.518 -2.200 -4.404 1.00 0.00 H new ATOM 0 HH TYR B 130 -17.222 -0.111 -4.261 1.00 0.00 H new ATOM 1769 N ALA B 131 -11.386 -3.958 -5.400 1.00 0.00 N ATOM 1770 CA ALA B 131 -10.955 -3.966 -4.008 1.00 0.00 C ATOM 1771 C ALA B 131 -9.497 -3.579 -3.915 1.00 0.00 C ATOM 1772 O ALA B 131 -9.072 -2.915 -2.974 1.00 0.00 O ATOM 1773 CB ALA B 131 -11.174 -5.332 -3.392 1.00 0.00 C ATOM 0 H ALA B 131 -11.632 -4.876 -5.771 1.00 0.00 H new ATOM 0 HA ALA B 131 -11.550 -3.239 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA B 131 -10.846 -5.319 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA B 131 -12.233 -5.585 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA B 131 -10.600 -6.076 -3.944 1.00 0.00 H new ATOM 1779 N LEU B 132 -8.738 -4.013 -4.909 1.00 0.00 N ATOM 1780 CA LEU B 132 -7.320 -3.735 -4.963 1.00 0.00 C ATOM 1781 C LEU B 132 -7.061 -2.238 -4.877 1.00 0.00 C ATOM 1782 O LEU B 132 -6.266 -1.780 -4.060 1.00 0.00 O ATOM 1783 CB LEU B 132 -6.740 -4.304 -6.256 1.00 0.00 C ATOM 1784 CG LEU B 132 -5.317 -3.854 -6.596 1.00 0.00 C ATOM 1785 CD1 LEU B 132 -4.355 -4.238 -5.484 1.00 0.00 C ATOM 1786 CD2 LEU B 132 -4.872 -4.456 -7.921 1.00 0.00 C ATOM 0 H LEU B 132 -9.088 -4.563 -5.693 1.00 0.00 H new ATOM 0 HA LEU B 132 -6.833 -4.209 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -6.752 -5.392 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -7.397 -4.027 -7.081 1.00 0.00 H new ATOM 0 HG LEU B 132 -5.312 -2.768 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -3.349 -3.910 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -4.664 -3.760 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -4.362 -5.320 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -3.858 -4.126 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -4.893 -5.544 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -5.546 -4.130 -8.713 1.00 0.00 H new ATOM 1798 N GLU B 133 -7.743 -1.482 -5.727 1.00 0.00 N ATOM 1799 CA GLU B 133 -7.594 -0.035 -5.751 1.00 0.00 C ATOM 1800 C GLU B 133 -8.251 0.611 -4.538 1.00 0.00 C ATOM 1801 O GLU B 133 -7.843 1.685 -4.095 1.00 0.00 O ATOM 1802 CB GLU B 133 -8.187 0.541 -7.039 1.00 0.00 C ATOM 1803 CG GLU B 133 -7.708 -0.163 -8.298 1.00 0.00 C ATOM 1804 CD GLU B 133 -7.342 0.807 -9.404 1.00 0.00 C ATOM 1805 OE1 GLU B 133 -8.088 1.789 -9.604 1.00 0.00 O ATOM 1806 OE2 GLU B 133 -6.309 0.585 -10.071 1.00 0.00 O ATOM 0 H GLU B 133 -8.406 -1.849 -6.410 1.00 0.00 H new ATOM 0 HA GLU B 133 -6.528 0.190 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU B 133 -9.274 0.478 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU B 133 -7.932 1.599 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU B 133 -6.841 -0.779 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU B 133 -8.489 -0.836 -8.653 1.00 0.00 H new ATOM 1813 N ARG B 134 -9.276 -0.045 -4.008 1.00 0.00 N ATOM 1814 CA ARG B 134 -9.996 0.472 -2.850 1.00 0.00 C ATOM 1815 C ARG B 134 -9.065 0.635 -1.652 1.00 0.00 C ATOM 1816 O ARG B 134 -9.276 1.506 -0.809 1.00 0.00 O ATOM 1817 CB ARG B 134 -11.165 -0.444 -2.490 1.00 0.00 C ATOM 1818 CG ARG B 134 -12.414 0.315 -2.073 1.00 0.00 C ATOM 1819 CD ARG B 134 -13.073 1.003 -3.258 1.00 0.00 C ATOM 1820 NE ARG B 134 -14.480 1.302 -3.003 1.00 0.00 N ATOM 1821 CZ ARG B 134 -15.178 2.215 -3.675 1.00 0.00 C ATOM 1822 NH1 ARG B 134 -14.606 2.918 -4.644 1.00 0.00 N ATOM 1823 NH2 ARG B 134 -16.453 2.425 -3.377 1.00 0.00 N ATOM 0 H ARG B 134 -9.627 -0.935 -4.361 1.00 0.00 H new ATOM 0 HA ARG B 134 -10.389 1.454 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -11.400 -1.076 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -10.863 -1.107 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -13.122 -0.374 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -12.154 1.058 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -12.541 1.927 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -12.991 0.366 -4.139 1.00 0.00 H new ATOM 0 HE ARG B 134 -14.956 0.781 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -13.626 2.760 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -15.146 3.616 -5.155 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -16.898 1.887 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -16.988 3.124 -3.891 1.00 0.00 H new ATOM 1837 N LEU B 135 -8.028 -0.194 -1.589 1.00 0.00 N ATOM 1838 CA LEU B 135 -7.057 -0.123 -0.511 1.00 0.00 C ATOM 1839 C LEU B 135 -6.106 1.044 -0.744 1.00 0.00 C ATOM 1840 O LEU B 135 -5.450 1.522 0.181 1.00 0.00 O ATOM 1841 CB LEU B 135 -6.271 -1.431 -0.412 1.00 0.00 C ATOM 1842 CG LEU B 135 -7.118 -2.696 -0.535 1.00 0.00 C ATOM 1843 CD1 LEU B 135 -6.238 -3.926 -0.690 1.00 0.00 C ATOM 1844 CD2 LEU B 135 -8.036 -2.836 0.667 1.00 0.00 C ATOM 0 H LEU B 135 -7.841 -0.924 -2.276 1.00 0.00 H new ATOM 0 HA LEU B 135 -7.588 0.033 0.428 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -5.511 -1.442 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.747 -1.453 0.544 1.00 0.00 H new ATOM 0 HG LEU B 135 -7.733 -2.611 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -6.865 -4.814 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -5.627 -3.826 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -5.590 -4.022 0.181 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.633 -3.742 0.565 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.438 -2.896 1.576 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.696 -1.971 0.723 1.00 0.00 H new