USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 742 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 77 THR OG1 : rot -179:sc= -0.287 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -157:sc= 0.0193 (180deg=0) USER MOD Set 2.1: A 51 THR OG1 : rot 93:sc= -0.355 USER MOD Set 2.2: A 62 CYS SG : rot -54:sc= -0.288 USER MOD Set 3.1: A 46 HIS : no HD1:sc= -0.0213 X(o=0.19,f=0.16) USER MOD Set 3.2: A 48 CYS SG : rot -0:sc= 0.211 USER MOD Single : A 3 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.003) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 11 THR OG1 : rot -49:sc= 0.882 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.36) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.317 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.09) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.633 F(o=-3.1,f=-0.63) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 22:sc= 1.05 USER MOD Single : A 44 CYS SG : rot 130:sc= -1.73 USER MOD Single : A 47 ASN : amide:sc= 0.172 K(o=0.17,f=-3!) USER MOD Single : A 55 MET CE :methyl -141:sc= -0.131 (180deg=-0.742) USER MOD Single : A 56 SER OG : rot 180:sc= -0.123 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -111:sc= -0.154 (180deg=-1.83!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0199 (180deg=-0.211) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.803 F(o=-3.4!,f=-0.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0567 (180deg=-0.298) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 48:sc= -0.236 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.843 3.138 -2.971 1.00 0.00 N ATOM 2 CA HIS A 3 -23.596 3.682 -4.332 1.00 0.00 C ATOM 3 C HIS A 3 -22.496 4.740 -4.311 1.00 0.00 C ATOM 4 O HIS A 3 -22.472 5.604 -3.434 1.00 0.00 O ATOM 5 CB HIS A 3 -24.902 4.286 -4.860 1.00 0.00 C ATOM 6 CG HIS A 3 -26.017 3.293 -4.998 1.00 0.00 C ATOM 7 ND1 HIS A 3 -27.278 3.636 -5.441 1.00 0.00 N ATOM 8 CD2 HIS A 3 -26.058 1.960 -4.755 1.00 0.00 C ATOM 9 CE1 HIS A 3 -28.044 2.559 -5.465 1.00 0.00 C ATOM 10 NE2 HIS A 3 -27.327 1.529 -5.053 1.00 0.00 N ATOM 0 HA HIS A 3 -23.263 2.876 -4.986 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.220 5.084 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.713 4.743 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -25.243 1.350 -4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -29.080 2.527 -5.770 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -27.662 0.569 -4.970 1.00 0.00 H new ATOM 21 N MET A 4 -21.588 4.661 -5.282 1.00 0.00 N ATOM 22 CA MET A 4 -20.482 5.608 -5.380 1.00 0.00 C ATOM 23 C MET A 4 -19.647 5.600 -4.098 1.00 0.00 C ATOM 24 O MET A 4 -19.392 6.644 -3.499 1.00 0.00 O ATOM 25 CB MET A 4 -21.013 7.018 -5.663 1.00 0.00 C ATOM 26 CG MET A 4 -19.923 8.036 -5.971 1.00 0.00 C ATOM 27 SD MET A 4 -18.965 7.603 -7.437 1.00 0.00 S ATOM 28 CE MET A 4 -17.802 8.963 -7.498 1.00 0.00 C ATOM 0 H MET A 4 -21.598 3.949 -6.013 1.00 0.00 H new ATOM 0 HA MET A 4 -19.841 5.303 -6.207 1.00 0.00 H new ATOM 0 HB2 MET A 4 -21.704 6.974 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.584 7.361 -4.800 1.00 0.00 H new ATOM 0 HG2 MET A 4 -20.377 9.017 -6.114 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.254 8.117 -5.115 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.139 8.837 -8.354 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.346 9.903 -7.595 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.212 8.979 -6.582 1.00 0.00 H new ATOM 38 N ARG A 5 -19.230 4.407 -3.681 1.00 0.00 N ATOM 39 CA ARG A 5 -18.429 4.255 -2.470 1.00 0.00 C ATOM 40 C ARG A 5 -17.135 5.059 -2.564 1.00 0.00 C ATOM 41 O ARG A 5 -16.462 5.053 -3.595 1.00 0.00 O ATOM 42 CB ARG A 5 -18.112 2.778 -2.225 1.00 0.00 C ATOM 43 CG ARG A 5 -19.348 1.913 -2.034 1.00 0.00 C ATOM 44 CD ARG A 5 -20.160 2.354 -0.825 1.00 0.00 C ATOM 45 NE ARG A 5 -21.363 1.546 -0.650 1.00 0.00 N ATOM 46 CZ ARG A 5 -22.230 1.719 0.344 1.00 0.00 C ATOM 47 NH1 ARG A 5 -22.025 2.663 1.253 1.00 0.00 N ATOM 48 NH2 ARG A 5 -23.306 0.948 0.428 1.00 0.00 N ATOM 0 H ARG A 5 -19.434 3.532 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 5 -19.010 4.639 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -17.537 2.394 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.479 2.693 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -19.969 1.963 -2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -19.049 0.872 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -19.543 2.285 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -20.440 3.401 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 5 -21.549 0.807 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -21.200 3.260 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.692 2.792 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.469 0.222 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -23.970 1.081 1.190 1.00 0.00 H new ATOM 62 N GLN A 6 -16.799 5.754 -1.481 1.00 0.00 N ATOM 63 CA GLN A 6 -15.590 6.571 -1.435 1.00 0.00 C ATOM 64 C GLN A 6 -14.334 5.717 -1.614 1.00 0.00 C ATOM 65 O GLN A 6 -14.205 4.656 -1.004 1.00 0.00 O ATOM 66 CB GLN A 6 -15.515 7.334 -0.109 1.00 0.00 C ATOM 67 CG GLN A 6 -15.527 6.435 1.116 1.00 0.00 C ATOM 68 CD GLN A 6 -15.469 7.220 2.413 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.519 7.959 2.662 1.00 0.00 O ATOM 70 NE2 GLN A 6 -16.491 7.061 3.247 1.00 0.00 N ATOM 0 H GLN A 6 -17.348 5.768 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.638 7.283 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.606 7.936 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.356 8.025 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.429 5.824 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.679 5.752 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.259 6.437 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.508 7.563 4.135 1.00 0.00 H new ATOM 79 N PRO A 7 -13.383 6.179 -2.449 1.00 0.00 N ATOM 80 CA PRO A 7 -12.130 5.455 -2.693 1.00 0.00 C ATOM 81 C PRO A 7 -11.245 5.419 -1.450 1.00 0.00 C ATOM 82 O PRO A 7 -11.224 6.371 -0.669 1.00 0.00 O ATOM 83 CB PRO A 7 -11.458 6.259 -3.809 1.00 0.00 C ATOM 84 CG PRO A 7 -12.034 7.628 -3.691 1.00 0.00 C ATOM 85 CD PRO A 7 -13.447 7.441 -3.209 1.00 0.00 C ATOM 0 HA PRO A 7 -12.303 4.412 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.375 6.274 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.664 5.826 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.460 8.234 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.014 8.144 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.771 8.272 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.150 7.375 -4.040 1.00 0.00 H new ATOM 93 N PRO A 8 -10.498 4.319 -1.243 1.00 0.00 N ATOM 94 CA PRO A 8 -9.615 4.177 -0.081 1.00 0.00 C ATOM 95 C PRO A 8 -8.612 5.320 0.018 1.00 0.00 C ATOM 96 O PRO A 8 -7.817 5.542 -0.895 1.00 0.00 O ATOM 97 CB PRO A 8 -8.891 2.846 -0.323 1.00 0.00 C ATOM 98 CG PRO A 8 -9.135 2.511 -1.758 1.00 0.00 C ATOM 99 CD PRO A 8 -10.453 3.135 -2.112 1.00 0.00 C ATOM 0 HA PRO A 8 -10.173 4.199 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.824 2.937 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.276 2.065 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.337 2.900 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.162 1.432 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.502 3.406 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.286 2.459 -1.918 1.00 0.00 H new ATOM 107 N LEU A 9 -8.656 6.042 1.133 1.00 0.00 N ATOM 108 CA LEU A 9 -7.752 7.165 1.352 1.00 0.00 C ATOM 109 C LEU A 9 -6.629 6.768 2.304 1.00 0.00 C ATOM 110 O LEU A 9 -6.815 6.736 3.520 1.00 0.00 O ATOM 111 CB LEU A 9 -8.533 8.363 1.913 1.00 0.00 C ATOM 112 CG LEU A 9 -7.807 9.716 1.881 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.774 10.839 2.221 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.631 9.734 2.848 1.00 0.00 C ATOM 0 H LEU A 9 -9.308 5.869 1.898 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.307 7.450 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.463 8.459 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.804 8.143 2.946 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.421 9.866 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.247 11.793 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.586 10.853 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.183 10.677 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.137 10.705 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.991 9.557 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.922 8.953 2.573 1.00 0.00 H new ATOM 126 N VAL A 10 -5.460 6.475 1.744 1.00 0.00 N ATOM 127 CA VAL A 10 -4.306 6.094 2.547 1.00 0.00 C ATOM 128 C VAL A 10 -3.577 7.331 3.059 1.00 0.00 C ATOM 129 O VAL A 10 -3.380 8.296 2.319 1.00 0.00 O ATOM 130 CB VAL A 10 -3.324 5.214 1.748 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.138 4.807 2.610 1.00 0.00 C ATOM 132 CG2 VAL A 10 -4.036 3.990 1.194 1.00 0.00 C ATOM 0 H VAL A 10 -5.288 6.494 0.739 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.678 5.515 3.392 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.945 5.798 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.459 4.187 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.612 5.699 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.492 4.243 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.328 3.380 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.447 3.405 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.844 4.307 0.535 1.00 0.00 H new ATOM 142 N THR A 11 -3.183 7.301 4.327 1.00 0.00 N ATOM 143 CA THR A 11 -2.481 8.425 4.935 1.00 0.00 C ATOM 144 C THR A 11 -1.907 8.045 6.299 1.00 0.00 C ATOM 145 O THR A 11 -2.125 8.733 7.297 1.00 0.00 O ATOM 146 CB THR A 11 -3.406 9.648 5.082 1.00 0.00 C ATOM 147 OG1 THR A 11 -2.714 10.720 5.733 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.648 9.281 5.869 1.00 0.00 C ATOM 0 H THR A 11 -3.338 6.511 4.954 1.00 0.00 H new ATOM 0 HA THR A 11 -1.658 8.688 4.270 1.00 0.00 H new ATOM 0 HB THR A 11 -3.705 9.974 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.271 10.382 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.291 10.156 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.187 8.489 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.360 8.933 6.861 1.00 0.00 H new ATOM 156 N GLY A 12 -1.170 6.940 6.327 1.00 0.00 N ATOM 157 CA GLY A 12 -0.571 6.474 7.563 1.00 0.00 C ATOM 158 C GLY A 12 0.487 5.415 7.329 1.00 0.00 C ATOM 159 O GLY A 12 0.336 4.557 6.458 1.00 0.00 O ATOM 0 H GLY A 12 -0.977 6.357 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.126 7.319 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.349 6.070 8.211 1.00 0.00 H new ATOM 163 N ILE A 13 1.563 5.480 8.107 1.00 0.00 N ATOM 164 CA ILE A 13 2.660 4.527 7.985 1.00 0.00 C ATOM 165 C ILE A 13 3.567 4.590 9.211 1.00 0.00 C ATOM 166 O ILE A 13 3.984 5.673 9.624 1.00 0.00 O ATOM 167 CB ILE A 13 3.495 4.802 6.711 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.636 3.791 6.583 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.044 6.224 6.725 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.428 3.934 5.301 1.00 0.00 C ATOM 0 H ILE A 13 1.698 6.186 8.831 1.00 0.00 H new ATOM 0 HA ILE A 13 2.224 3.531 7.912 1.00 0.00 H new ATOM 0 HB ILE A 13 2.841 4.693 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.310 3.906 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.225 2.783 6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.628 6.397 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.217 6.933 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.680 6.360 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.220 3.186 5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.767 3.789 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.868 4.930 5.254 1.00 0.00 H new ATOM 182 N SER A 14 3.872 3.431 9.794 1.00 0.00 N ATOM 183 CA SER A 14 4.732 3.395 10.970 1.00 0.00 C ATOM 184 C SER A 14 6.100 3.993 10.634 1.00 0.00 C ATOM 185 O SER A 14 6.483 5.012 11.208 1.00 0.00 O ATOM 186 CB SER A 14 4.869 1.968 11.516 1.00 0.00 C ATOM 187 OG SER A 14 5.725 1.934 12.645 1.00 0.00 O ATOM 0 H SER A 14 3.541 2.520 9.476 1.00 0.00 H new ATOM 0 HA SER A 14 4.272 3.997 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.886 1.584 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.262 1.314 10.738 1.00 0.00 H new ATOM 0 HG SER A 14 5.794 1.014 12.975 1.00 0.00 H new ATOM 193 N PRO A 15 6.854 3.400 9.679 1.00 0.00 N ATOM 194 CA PRO A 15 8.152 3.934 9.283 1.00 0.00 C ATOM 195 C PRO A 15 7.997 5.041 8.245 1.00 0.00 C ATOM 196 O PRO A 15 6.919 5.616 8.102 1.00 0.00 O ATOM 197 CB PRO A 15 8.845 2.714 8.685 1.00 0.00 C ATOM 198 CG PRO A 15 7.739 1.930 8.065 1.00 0.00 C ATOM 199 CD PRO A 15 6.507 2.193 8.895 1.00 0.00 C ATOM 0 HA PRO A 15 8.704 4.387 10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.591 3.003 7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.363 2.135 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.581 2.234 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.978 0.867 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.632 2.363 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.275 1.349 9.544 1.00 0.00 H new ATOM 207 N ASN A 16 9.068 5.325 7.507 1.00 0.00 N ATOM 208 CA ASN A 16 9.028 6.351 6.470 1.00 0.00 C ATOM 209 C ASN A 16 10.348 6.387 5.706 1.00 0.00 C ATOM 210 O ASN A 16 10.710 7.401 5.109 1.00 0.00 O ATOM 211 CB ASN A 16 8.735 7.723 7.083 1.00 0.00 C ATOM 212 CG ASN A 16 8.358 8.751 6.034 1.00 0.00 C ATOM 213 OD1 ASN A 16 7.390 8.571 5.294 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.117 9.837 5.967 1.00 0.00 N ATOM 0 H ASN A 16 9.970 4.861 7.608 1.00 0.00 H new ATOM 0 HA ASN A 16 8.227 6.104 5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.925 7.630 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.612 8.069 7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.908 10.564 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.910 9.945 6.600 1.00 0.00 H new ATOM 221 N GLU A 17 11.053 5.258 5.724 1.00 0.00 N ATOM 222 CA GLU A 17 12.332 5.121 5.033 1.00 0.00 C ATOM 223 C GLU A 17 12.885 3.712 5.225 1.00 0.00 C ATOM 224 O GLU A 17 12.993 3.227 6.353 1.00 0.00 O ATOM 225 CB GLU A 17 13.347 6.156 5.537 1.00 0.00 C ATOM 226 CG GLU A 17 13.708 6.009 7.009 1.00 0.00 C ATOM 227 CD GLU A 17 12.540 6.287 7.934 1.00 0.00 C ATOM 228 OE1 GLU A 17 12.017 7.422 7.907 1.00 0.00 O ATOM 229 OE2 GLU A 17 12.147 5.371 8.687 1.00 0.00 O ATOM 0 H GLU A 17 10.755 4.416 6.216 1.00 0.00 H new ATOM 0 HA GLU A 17 12.163 5.299 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.256 6.077 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.944 7.155 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.075 4.998 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.524 6.691 7.248 1.00 0.00 H new ATOM 236 N GLY A 18 13.225 3.052 4.123 1.00 0.00 N ATOM 237 CA GLY A 18 13.753 1.704 4.207 1.00 0.00 C ATOM 238 C GLY A 18 13.754 0.988 2.871 1.00 0.00 C ATOM 239 O GLY A 18 12.918 1.265 2.011 1.00 0.00 O ATOM 0 H GLY A 18 13.145 3.425 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.771 1.741 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.161 1.131 4.921 1.00 0.00 H new ATOM 243 N ILE A 19 14.695 0.062 2.704 1.00 0.00 N ATOM 244 CA ILE A 19 14.806 -0.708 1.470 1.00 0.00 C ATOM 245 C ILE A 19 13.468 -1.354 1.105 1.00 0.00 C ATOM 246 O ILE A 19 12.579 -1.466 1.947 1.00 0.00 O ATOM 247 CB ILE A 19 15.892 -1.798 1.588 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.573 -2.746 2.749 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.260 -1.157 1.771 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.564 -3.881 2.900 1.00 0.00 C ATOM 0 H ILE A 19 15.393 -0.173 3.410 1.00 0.00 H new ATOM 0 HA ILE A 19 15.091 -0.014 0.680 1.00 0.00 H new ATOM 0 HB ILE A 19 15.907 -2.382 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.546 -2.174 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.577 -3.163 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.019 -1.935 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.482 -0.523 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.260 -0.553 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.272 -4.509 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.575 -4.478 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.559 -3.474 3.079 1.00 0.00 H new ATOM 262 N PRO A 20 13.294 -1.767 -0.165 1.00 0.00 N ATOM 263 CA PRO A 20 12.044 -2.383 -0.636 1.00 0.00 C ATOM 264 C PRO A 20 11.556 -3.530 0.250 1.00 0.00 C ATOM 265 O PRO A 20 10.357 -3.666 0.495 1.00 0.00 O ATOM 266 CB PRO A 20 12.415 -2.902 -2.027 1.00 0.00 C ATOM 267 CG PRO A 20 13.504 -1.997 -2.484 1.00 0.00 C ATOM 268 CD PRO A 20 14.290 -1.649 -1.251 1.00 0.00 C ATOM 0 HA PRO A 20 11.221 -1.669 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.751 -3.938 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.561 -2.869 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.135 -2.488 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.097 -1.102 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.128 -2.330 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.704 -0.642 -1.309 1.00 0.00 H new ATOM 276 N TRP A 21 12.475 -4.366 0.715 1.00 0.00 N ATOM 277 CA TRP A 21 12.107 -5.505 1.553 1.00 0.00 C ATOM 278 C TRP A 21 11.723 -5.080 2.970 1.00 0.00 C ATOM 279 O TRP A 21 11.285 -5.907 3.771 1.00 0.00 O ATOM 280 CB TRP A 21 13.240 -6.531 1.598 1.00 0.00 C ATOM 281 CG TRP A 21 13.604 -7.064 0.247 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.572 -6.590 -0.591 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.982 -8.159 -0.436 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.602 -7.335 -1.745 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.633 -8.302 -1.675 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.942 -9.036 -0.116 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.277 -9.286 -2.593 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.588 -10.011 -1.029 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.254 -10.129 -2.255 1.00 0.00 C ATOM 0 H TRP A 21 13.474 -4.280 0.529 1.00 0.00 H new ATOM 0 HA TRP A 21 11.228 -5.963 1.099 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.119 -6.073 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.946 -7.360 2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.219 -5.752 -0.378 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.241 -7.192 -2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.424 -8.953 0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.790 -9.381 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.785 -10.693 -0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.954 -10.901 -2.948 1.00 0.00 H new ATOM 300 N THR A 22 11.885 -3.797 3.281 1.00 0.00 N ATOM 301 CA THR A 22 11.547 -3.291 4.609 1.00 0.00 C ATOM 302 C THR A 22 10.049 -3.405 4.876 1.00 0.00 C ATOM 303 O THR A 22 9.228 -2.970 4.067 1.00 0.00 O ATOM 304 CB THR A 22 11.975 -1.821 4.787 1.00 0.00 C ATOM 305 OG1 THR A 22 13.391 -1.698 4.606 1.00 0.00 O ATOM 306 CG2 THR A 22 11.590 -1.303 6.167 1.00 0.00 C ATOM 0 H THR A 22 12.245 -3.093 2.637 1.00 0.00 H new ATOM 0 HA THR A 22 12.093 -3.906 5.324 1.00 0.00 H new ATOM 0 HB THR A 22 11.457 -1.224 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.727 -0.955 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.904 -0.264 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.509 -1.369 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.081 -1.905 6.932 1.00 0.00 H new ATOM 314 N LYS A 23 9.702 -3.987 6.020 1.00 0.00 N ATOM 315 CA LYS A 23 8.304 -4.152 6.402 1.00 0.00 C ATOM 316 C LYS A 23 7.679 -2.804 6.744 1.00 0.00 C ATOM 317 O LYS A 23 8.294 -1.978 7.418 1.00 0.00 O ATOM 318 CB LYS A 23 8.189 -5.103 7.597 1.00 0.00 C ATOM 319 CG LYS A 23 6.758 -5.334 8.063 1.00 0.00 C ATOM 320 CD LYS A 23 5.905 -5.983 6.981 1.00 0.00 C ATOM 321 CE LYS A 23 6.423 -7.364 6.607 1.00 0.00 C ATOM 322 NZ LYS A 23 5.598 -8.002 5.543 1.00 0.00 N ATOM 0 H LYS A 23 10.370 -4.352 6.699 1.00 0.00 H new ATOM 0 HA LYS A 23 7.765 -4.580 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.634 -6.062 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.771 -4.701 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.763 -5.968 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.313 -4.382 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.875 -6.063 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.894 -5.347 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.455 -7.284 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.429 -8.001 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.202 -8.608 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.852 -8.579 5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.163 -7.265 4.952 1.00 0.00 H new ATOM 336 N VAL A 24 6.453 -2.586 6.275 1.00 0.00 N ATOM 337 CA VAL A 24 5.746 -1.334 6.533 1.00 0.00 C ATOM 338 C VAL A 24 4.251 -1.577 6.705 1.00 0.00 C ATOM 339 O VAL A 24 3.620 -2.248 5.888 1.00 0.00 O ATOM 340 CB VAL A 24 5.963 -0.313 5.396 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.437 0.038 5.262 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.417 -0.845 4.080 1.00 0.00 C ATOM 0 H VAL A 24 5.929 -3.259 5.715 1.00 0.00 H new ATOM 0 HA VAL A 24 6.157 -0.925 7.456 1.00 0.00 H new ATOM 0 HB VAL A 24 5.417 0.596 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.567 0.759 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.794 0.471 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.007 -0.864 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.581 -0.108 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.929 -1.772 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.349 -1.037 4.180 1.00 0.00 H new ATOM 352 N THR A 25 3.687 -1.026 7.774 1.00 0.00 N ATOM 353 CA THR A 25 2.265 -1.182 8.049 1.00 0.00 C ATOM 354 C THR A 25 1.453 -0.096 7.353 1.00 0.00 C ATOM 355 O THR A 25 1.608 1.090 7.644 1.00 0.00 O ATOM 356 CB THR A 25 1.975 -1.139 9.562 1.00 0.00 C ATOM 357 OG1 THR A 25 2.723 -2.162 10.233 1.00 0.00 O ATOM 358 CG2 THR A 25 0.491 -1.332 9.834 1.00 0.00 C ATOM 0 H THR A 25 4.192 -0.468 8.463 1.00 0.00 H new ATOM 0 HA THR A 25 1.971 -2.158 7.662 1.00 0.00 H new ATOM 0 HB THR A 25 2.274 -0.161 9.939 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.535 -2.128 11.194 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.311 -1.298 10.908 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.075 -0.538 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.172 -2.298 9.443 1.00 0.00 H new ATOM 366 N ILE A 26 0.581 -0.508 6.440 1.00 0.00 N ATOM 367 CA ILE A 26 -0.261 0.434 5.711 1.00 0.00 C ATOM 368 C ILE A 26 -1.462 0.851 6.555 1.00 0.00 C ATOM 369 O ILE A 26 -2.078 0.021 7.226 1.00 0.00 O ATOM 370 CB ILE A 26 -0.748 -0.164 4.374 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.451 -0.533 3.494 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.662 0.821 3.655 1.00 0.00 C ATOM 373 CD1 ILE A 26 0.067 -1.145 2.164 1.00 0.00 C ATOM 0 H ILE A 26 0.438 -1.486 6.187 1.00 0.00 H new ATOM 0 HA ILE A 26 0.347 1.313 5.495 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.317 -1.070 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.046 0.362 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.086 -1.234 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.998 0.386 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.526 1.040 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.117 1.743 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.968 -1.379 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.502 -2.059 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.542 -0.438 1.601 1.00 0.00 H new ATOM 385 N ARG A 27 -1.787 2.140 6.523 1.00 0.00 N ATOM 386 CA ARG A 27 -2.912 2.666 7.292 1.00 0.00 C ATOM 387 C ARG A 27 -3.690 3.700 6.483 1.00 0.00 C ATOM 388 O ARG A 27 -3.103 4.548 5.810 1.00 0.00 O ATOM 389 CB ARG A 27 -2.419 3.298 8.598 1.00 0.00 C ATOM 390 CG ARG A 27 -1.693 2.329 9.519 1.00 0.00 C ATOM 391 CD ARG A 27 -2.614 1.223 10.012 1.00 0.00 C ATOM 392 NE ARG A 27 -3.751 1.749 10.763 1.00 0.00 N ATOM 393 CZ ARG A 27 -4.665 0.984 11.351 1.00 0.00 C ATOM 394 NH1 ARG A 27 -4.566 -0.337 11.289 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.678 1.538 12.004 1.00 0.00 N ATOM 0 H ARG A 27 -1.288 2.840 5.973 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.576 1.834 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.751 4.126 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.272 3.719 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.847 1.889 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.288 2.873 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.977 0.648 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.050 0.536 10.643 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.849 2.761 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.788 -0.767 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.268 -0.923 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.757 2.554 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.378 0.948 12.454 1.00 0.00 H new ATOM 409 N GLY A 28 -5.016 3.623 6.558 1.00 0.00 N ATOM 410 CA GLY A 28 -5.859 4.555 5.832 1.00 0.00 C ATOM 411 C GLY A 28 -7.331 4.352 6.128 1.00 0.00 C ATOM 412 O GLY A 28 -7.719 4.181 7.285 1.00 0.00 O ATOM 0 H GLY A 28 -5.522 2.930 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.576 5.575 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.687 4.439 4.762 1.00 0.00 H new ATOM 416 N GLU A 29 -8.155 4.369 5.082 1.00 0.00 N ATOM 417 CA GLU A 29 -9.596 4.186 5.236 1.00 0.00 C ATOM 418 C GLU A 29 -10.211 3.556 3.989 1.00 0.00 C ATOM 419 O GLU A 29 -9.876 3.926 2.866 1.00 0.00 O ATOM 420 CB GLU A 29 -10.283 5.527 5.517 1.00 0.00 C ATOM 421 CG GLU A 29 -9.880 6.169 6.837 1.00 0.00 C ATOM 422 CD GLU A 29 -10.318 5.361 8.046 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.962 4.307 7.859 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.020 5.787 9.181 1.00 0.00 O ATOM 0 H GLU A 29 -7.849 4.508 4.119 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.751 3.515 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.054 6.217 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.363 5.377 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.797 6.290 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.314 7.167 6.897 1.00 0.00 H new ATOM 431 N ASN A 30 -11.123 2.611 4.206 1.00 0.00 N ATOM 432 CA ASN A 30 -11.813 1.922 3.116 1.00 0.00 C ATOM 433 C ASN A 30 -10.851 1.127 2.231 1.00 0.00 C ATOM 434 O ASN A 30 -11.019 1.080 1.013 1.00 0.00 O ATOM 435 CB ASN A 30 -12.591 2.925 2.256 1.00 0.00 C ATOM 436 CG ASN A 30 -13.601 3.727 3.054 1.00 0.00 C ATOM 437 OD1 ASN A 30 -13.506 5.050 2.972 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 -14.463 3.165 3.730 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.404 2.302 5.137 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.505 1.216 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.889 3.608 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.107 2.389 1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.500 2.146 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.140 3.718 4.255 1.00 0.00 H new ATOM 445 N LEU A 31 -9.853 0.491 2.843 1.00 0.00 N ATOM 446 CA LEU A 31 -8.890 -0.311 2.090 1.00 0.00 C ATOM 447 C LEU A 31 -9.448 -1.701 1.791 1.00 0.00 C ATOM 448 O LEU A 31 -8.799 -2.713 2.057 1.00 0.00 O ATOM 449 CB LEU A 31 -7.558 -0.431 2.839 1.00 0.00 C ATOM 450 CG LEU A 31 -6.664 0.811 2.781 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.302 1.973 3.523 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.285 0.504 3.348 1.00 0.00 C ATOM 0 H LEU A 31 -9.691 0.515 3.850 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.709 0.203 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.766 -0.661 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.005 -1.277 2.431 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.550 1.099 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.648 2.843 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.263 2.212 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.453 1.699 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.664 1.398 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.381 0.186 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.821 -0.292 2.766 1.00 0.00 H new ATOM 464 N GLY A 32 -10.654 -1.742 1.232 1.00 0.00 N ATOM 465 CA GLY A 32 -11.278 -3.009 0.901 1.00 0.00 C ATOM 466 C GLY A 32 -11.841 -3.724 2.114 1.00 0.00 C ATOM 467 O GLY A 32 -11.183 -3.818 3.151 1.00 0.00 O ATOM 0 H GLY A 32 -11.210 -0.918 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.079 -2.837 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.546 -3.653 0.414 1.00 0.00 H new ATOM 471 N THR A 33 -13.063 -4.231 1.978 1.00 0.00 N ATOM 472 CA THR A 33 -13.728 -4.945 3.059 1.00 0.00 C ATOM 473 C THR A 33 -12.928 -6.169 3.489 1.00 0.00 C ATOM 474 O THR A 33 -12.899 -6.516 4.670 1.00 0.00 O ATOM 475 CB THR A 33 -15.145 -5.388 2.652 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.085 -6.212 1.481 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.034 -4.183 2.386 1.00 0.00 C ATOM 0 H THR A 33 -13.614 -4.159 1.123 1.00 0.00 H new ATOM 0 HA THR A 33 -13.799 -4.251 3.896 1.00 0.00 H new ATOM 0 HB THR A 33 -15.573 -5.960 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.991 -6.491 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.030 -4.522 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.102 -3.575 3.288 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.608 -3.587 1.579 1.00 0.00 H new ATOM 485 N GLY A 34 -12.280 -6.823 2.527 1.00 0.00 N ATOM 486 CA GLY A 34 -11.492 -7.999 2.840 1.00 0.00 C ATOM 487 C GLY A 34 -10.605 -8.445 1.692 1.00 0.00 C ATOM 488 O GLY A 34 -10.296 -7.654 0.800 1.00 0.00 O ATOM 0 H GLY A 34 -12.288 -6.559 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.871 -7.791 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.161 -8.815 3.113 1.00 0.00 H new ATOM 492 N PRO A 35 -10.169 -9.719 1.694 1.00 0.00 N ATOM 493 CA PRO A 35 -9.297 -10.267 0.646 1.00 0.00 C ATOM 494 C PRO A 35 -9.939 -10.228 -0.737 1.00 0.00 C ATOM 495 O PRO A 35 -9.305 -9.828 -1.713 1.00 0.00 O ATOM 496 CB PRO A 35 -9.073 -11.722 1.082 1.00 0.00 C ATOM 497 CG PRO A 35 -9.400 -11.747 2.535 1.00 0.00 C ATOM 498 CD PRO A 35 -10.478 -10.722 2.729 1.00 0.00 C ATOM 0 HA PRO A 35 -8.379 -9.687 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.713 -12.404 0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.043 -12.033 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.741 -12.736 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.523 -11.511 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.471 -11.150 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.451 -10.291 3.730 1.00 0.00 H new ATOM 506 N THR A 36 -11.195 -10.656 -0.813 1.00 0.00 N ATOM 507 CA THR A 36 -11.919 -10.681 -2.079 1.00 0.00 C ATOM 508 C THR A 36 -12.042 -9.284 -2.681 1.00 0.00 C ATOM 509 O THR A 36 -11.894 -9.106 -3.890 1.00 0.00 O ATOM 510 CB THR A 36 -13.326 -11.281 -1.908 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.079 -10.510 -0.964 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.243 -12.726 -1.438 1.00 0.00 C ATOM 0 H THR A 36 -11.733 -10.990 -0.013 1.00 0.00 H new ATOM 0 HA THR A 36 -11.341 -11.310 -2.756 1.00 0.00 H new ATOM 0 HB THR A 36 -13.827 -11.257 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.973 -10.899 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.249 -13.130 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.696 -13.317 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.724 -12.768 -0.480 1.00 0.00 H new ATOM 520 N ASP A 37 -12.316 -8.297 -1.833 1.00 0.00 N ATOM 521 CA ASP A 37 -12.460 -6.918 -2.288 1.00 0.00 C ATOM 522 C ASP A 37 -11.131 -6.377 -2.809 1.00 0.00 C ATOM 523 O ASP A 37 -11.068 -5.794 -3.891 1.00 0.00 O ATOM 524 CB ASP A 37 -12.976 -6.033 -1.149 1.00 0.00 C ATOM 525 CG ASP A 37 -13.285 -4.617 -1.603 1.00 0.00 C ATOM 526 OD1 ASP A 37 -13.087 -4.315 -2.797 1.00 0.00 O ATOM 527 OD2 ASP A 37 -13.729 -3.810 -0.761 1.00 0.00 O ATOM 0 H ASP A 37 -12.443 -8.426 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.183 -6.903 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.876 -6.479 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.232 -6.001 -0.353 1.00 0.00 H new ATOM 532 N LEU A 38 -10.073 -6.579 -2.030 1.00 0.00 N ATOM 533 CA LEU A 38 -8.741 -6.116 -2.407 1.00 0.00 C ATOM 534 C LEU A 38 -8.269 -6.849 -3.661 1.00 0.00 C ATOM 535 O LEU A 38 -8.351 -8.076 -3.734 1.00 0.00 O ATOM 536 CB LEU A 38 -7.764 -6.354 -1.250 1.00 0.00 C ATOM 537 CG LEU A 38 -6.598 -5.367 -1.149 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.724 -5.702 0.050 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.770 -5.367 -2.423 1.00 0.00 C ATOM 0 H LEU A 38 -10.112 -7.061 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.779 -5.048 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.323 -6.323 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.356 -7.360 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.012 -4.368 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.899 -4.992 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.319 -5.644 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.327 -6.711 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.949 -4.657 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.368 -6.365 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.399 -5.079 -3.265 1.00 0.00 H new ATOM 551 N ILE A 39 -7.784 -6.099 -4.653 1.00 0.00 N ATOM 552 CA ILE A 39 -7.318 -6.701 -5.902 1.00 0.00 C ATOM 553 C ILE A 39 -6.188 -5.900 -6.551 1.00 0.00 C ATOM 554 O ILE A 39 -5.214 -6.476 -7.037 1.00 0.00 O ATOM 555 CB ILE A 39 -8.469 -6.834 -6.925 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.145 -5.476 -7.146 1.00 0.00 C ATOM 557 CG2 ILE A 39 -9.481 -7.875 -6.464 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.265 -5.506 -8.166 1.00 0.00 C ATOM 0 H ILE A 39 -7.704 -5.083 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.941 -7.687 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.051 -7.168 -7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.542 -5.120 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.393 -4.755 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.283 -7.953 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.988 -8.842 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.898 -7.576 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.693 -4.508 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.871 -5.830 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.038 -6.201 -7.837 1.00 0.00 H new ATOM 570 N GLY A 40 -6.331 -4.579 -6.587 1.00 0.00 N ATOM 571 CA GLY A 40 -5.320 -3.745 -7.213 1.00 0.00 C ATOM 572 C GLY A 40 -4.282 -3.209 -6.256 1.00 0.00 C ATOM 573 O GLY A 40 -4.024 -2.005 -6.219 1.00 0.00 O ATOM 0 H GLY A 40 -7.125 -4.072 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.818 -4.322 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.811 -2.906 -7.706 1.00 0.00 H new ATOM 577 N LEU A 41 -3.676 -4.097 -5.494 1.00 0.00 N ATOM 578 CA LEU A 41 -2.644 -3.703 -4.543 1.00 0.00 C ATOM 579 C LEU A 41 -1.384 -3.272 -5.290 1.00 0.00 C ATOM 580 O LEU A 41 -0.875 -4.011 -6.133 1.00 0.00 O ATOM 581 CB LEU A 41 -2.329 -4.861 -3.586 1.00 0.00 C ATOM 582 CG LEU A 41 -1.504 -4.499 -2.342 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.070 -4.149 -2.713 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.152 -3.348 -1.586 1.00 0.00 C ATOM 0 H LEU A 41 -3.877 -5.097 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.010 -2.861 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.270 -5.302 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.793 -5.631 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.480 -5.374 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.488 -3.897 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.398 -5.003 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.068 -3.296 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.553 -3.106 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.213 -2.475 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.155 -3.638 -1.272 1.00 0.00 H new ATOM 596 N THR A 42 -0.883 -2.077 -4.977 1.00 0.00 N ATOM 597 CA THR A 42 0.316 -1.554 -5.629 1.00 0.00 C ATOM 598 C THR A 42 1.034 -0.526 -4.763 1.00 0.00 C ATOM 599 O THR A 42 0.405 0.263 -4.057 1.00 0.00 O ATOM 600 CB THR A 42 -0.006 -0.895 -6.986 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.187 -0.093 -6.876 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.184 -1.935 -8.081 1.00 0.00 C ATOM 0 H THR A 42 -1.288 -1.455 -4.278 1.00 0.00 H new ATOM 0 HA THR A 42 0.963 -2.417 -5.785 1.00 0.00 H new ATOM 0 HB THR A 42 0.838 -0.261 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.331 0.150 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.410 -1.436 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.734 -2.512 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.004 -2.603 -7.818 1.00 0.00 H new ATOM 610 N ILE A 43 2.359 -0.531 -4.850 1.00 0.00 N ATOM 611 CA ILE A 43 3.190 0.406 -4.110 1.00 0.00 C ATOM 612 C ILE A 43 4.303 0.920 -5.011 1.00 0.00 C ATOM 613 O ILE A 43 5.059 0.137 -5.587 1.00 0.00 O ATOM 614 CB ILE A 43 3.805 -0.235 -2.848 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.707 -0.578 -1.837 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.834 0.699 -2.223 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.217 -1.304 -0.610 1.00 0.00 C ATOM 0 H ILE A 43 2.884 -1.182 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 43 2.553 1.229 -3.787 1.00 0.00 H new ATOM 0 HB ILE A 43 4.309 -1.157 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.212 0.342 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.954 -1.195 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.258 0.231 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.629 0.898 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.353 1.637 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.384 -1.514 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.686 -2.241 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.948 -0.680 -0.096 1.00 0.00 H new ATOM 629 N CYS A 44 4.381 2.237 -5.149 1.00 0.00 N ATOM 630 CA CYS A 44 5.383 2.857 -6.003 1.00 0.00 C ATOM 631 C CYS A 44 5.251 2.334 -7.432 1.00 0.00 C ATOM 632 O CYS A 44 6.246 2.152 -8.134 1.00 0.00 O ATOM 633 CB CYS A 44 6.791 2.590 -5.468 1.00 0.00 C ATOM 634 SG CYS A 44 7.041 3.115 -3.756 1.00 0.00 S ATOM 0 H CYS A 44 3.761 2.897 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 44 5.217 3.934 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.001 1.523 -5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.513 3.103 -6.103 1.00 0.00 H new ATOM 0 HG CYS A 44 7.570 2.141 -3.076 1.00 0.00 H new ATOM 640 N GLY A 45 4.007 2.102 -7.854 1.00 0.00 N ATOM 641 CA GLY A 45 3.748 1.610 -9.196 1.00 0.00 C ATOM 642 C GLY A 45 3.858 0.100 -9.323 1.00 0.00 C ATOM 643 O GLY A 45 3.106 -0.517 -10.078 1.00 0.00 O ATOM 0 H GLY A 45 3.172 2.247 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.748 1.920 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.451 2.076 -9.887 1.00 0.00 H new ATOM 647 N HIS A 46 4.800 -0.500 -8.601 1.00 0.00 N ATOM 648 CA HIS A 46 4.999 -1.944 -8.661 1.00 0.00 C ATOM 649 C HIS A 46 3.878 -2.691 -7.943 1.00 0.00 C ATOM 650 O HIS A 46 3.525 -2.360 -6.811 1.00 0.00 O ATOM 651 CB HIS A 46 6.349 -2.326 -8.053 1.00 0.00 C ATOM 652 CG HIS A 46 6.669 -3.784 -8.182 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.801 -4.418 -9.399 1.00 0.00 N ATOM 654 CD2 HIS A 46 6.880 -4.733 -7.240 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.079 -5.694 -9.201 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.133 -5.910 -7.899 1.00 0.00 N ATOM 0 H HIS A 46 5.435 -0.011 -7.970 1.00 0.00 H new ATOM 0 HA HIS A 46 4.985 -2.234 -9.712 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.134 -1.745 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.354 -2.052 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.854 -4.591 -6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.235 -6.434 -9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.331 -6.807 -7.455 1.00 0.00 H new ATOM 665 N ASN A 47 3.330 -3.706 -8.606 1.00 0.00 N ATOM 666 CA ASN A 47 2.255 -4.506 -8.029 1.00 0.00 C ATOM 667 C ASN A 47 2.785 -5.413 -6.922 1.00 0.00 C ATOM 668 O ASN A 47 3.882 -5.962 -7.029 1.00 0.00 O ATOM 669 CB ASN A 47 1.572 -5.345 -9.110 1.00 0.00 C ATOM 670 CG ASN A 47 2.513 -6.346 -9.749 1.00 0.00 C ATOM 671 OD1 ASN A 47 3.527 -5.974 -10.340 1.00 0.00 O ATOM 672 ND2 ASN A 47 2.181 -7.627 -9.631 1.00 0.00 N ATOM 0 H ASN A 47 3.613 -3.993 -9.543 1.00 0.00 H new ATOM 0 HA ASN A 47 1.523 -3.824 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.725 -5.875 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.172 -4.685 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.776 -8.348 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.331 -7.890 -9.132 1.00 0.00 H new ATOM 679 N CYS A 48 1.997 -5.569 -5.862 1.00 0.00 N ATOM 680 CA CYS A 48 2.381 -6.411 -4.734 1.00 0.00 C ATOM 681 C CYS A 48 1.147 -7.024 -4.080 1.00 0.00 C ATOM 682 O CYS A 48 1.037 -7.073 -2.854 1.00 0.00 O ATOM 683 CB CYS A 48 3.169 -5.599 -3.703 1.00 0.00 C ATOM 684 SG CYS A 48 4.712 -4.895 -4.330 1.00 0.00 S ATOM 0 H CYS A 48 1.086 -5.122 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 48 3.016 -7.214 -5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.537 -4.790 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.396 -6.239 -2.850 1.00 0.00 H new ATOM 0 HG CYS A 48 4.867 -5.230 -5.577 1.00 0.00 H new ATOM 690 N LEU A 49 0.217 -7.485 -4.911 1.00 0.00 N ATOM 691 CA LEU A 49 -1.019 -8.092 -4.429 1.00 0.00 C ATOM 692 C LEU A 49 -0.749 -9.442 -3.764 1.00 0.00 C ATOM 693 O LEU A 49 -1.300 -9.743 -2.704 1.00 0.00 O ATOM 694 CB LEU A 49 -2.001 -8.274 -5.589 1.00 0.00 C ATOM 695 CG LEU A 49 -3.384 -8.797 -5.197 1.00 0.00 C ATOM 696 CD1 LEU A 49 -4.159 -7.737 -4.430 1.00 0.00 C ATOM 697 CD2 LEU A 49 -4.156 -9.240 -6.432 1.00 0.00 C ATOM 0 H LEU A 49 0.297 -7.449 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.454 -7.425 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.123 -7.316 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.562 -8.962 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.254 -9.662 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.140 -8.128 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.613 -7.470 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.280 -6.852 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.137 -9.609 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.276 -8.394 -7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.608 -10.034 -6.938 1.00 0.00 H new ATOM 709 N LEU A 50 0.087 -10.254 -4.403 1.00 0.00 N ATOM 710 CA LEU A 50 0.421 -11.579 -3.889 1.00 0.00 C ATOM 711 C LEU A 50 1.158 -11.510 -2.549 1.00 0.00 C ATOM 712 O LEU A 50 0.970 -12.373 -1.691 1.00 0.00 O ATOM 713 CB LEU A 50 1.234 -12.365 -4.928 1.00 0.00 C ATOM 714 CG LEU A 50 2.453 -11.642 -5.511 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.628 -11.696 -4.551 1.00 0.00 C ATOM 716 CD2 LEU A 50 2.834 -12.246 -6.853 1.00 0.00 C ATOM 0 H LEU A 50 0.548 -10.017 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.515 -12.107 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.572 -13.294 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.571 -12.638 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 50 2.188 -10.595 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.480 -11.176 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.353 -11.216 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.896 -12.736 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.701 -11.722 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.076 -13.301 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.998 -12.149 -7.546 1.00 0.00 H new ATOM 728 N THR A 51 1.988 -10.485 -2.364 1.00 0.00 N ATOM 729 CA THR A 51 2.732 -10.328 -1.116 1.00 0.00 C ATOM 730 C THR A 51 1.858 -9.721 -0.023 1.00 0.00 C ATOM 731 O THR A 51 1.958 -10.096 1.146 1.00 0.00 O ATOM 732 CB THR A 51 3.980 -9.440 -1.293 1.00 0.00 C ATOM 733 OG1 THR A 51 3.635 -8.237 -1.991 1.00 0.00 O ATOM 734 CG2 THR A 51 5.083 -10.174 -2.041 1.00 0.00 C ATOM 0 H THR A 51 2.161 -9.756 -3.056 1.00 0.00 H new ATOM 0 HA THR A 51 3.047 -11.330 -0.824 1.00 0.00 H new ATOM 0 HB THR A 51 4.354 -9.189 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.417 -7.534 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.948 -9.519 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.370 -11.066 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.723 -10.464 -3.028 1.00 0.00 H new ATOM 742 N ALA A 52 1.010 -8.776 -0.411 1.00 0.00 N ATOM 743 CA ALA A 52 0.125 -8.105 0.532 1.00 0.00 C ATOM 744 C ALA A 52 -0.913 -9.057 1.115 1.00 0.00 C ATOM 745 O ALA A 52 -1.498 -9.869 0.401 1.00 0.00 O ATOM 746 CB ALA A 52 -0.562 -6.929 -0.141 1.00 0.00 C ATOM 0 H ALA A 52 0.917 -8.457 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 52 0.738 -7.742 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.221 -6.435 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.189 -6.221 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.148 -7.286 -0.988 1.00 0.00 H new ATOM 752 N GLU A 53 -1.143 -8.935 2.419 1.00 0.00 N ATOM 753 CA GLU A 53 -2.119 -9.767 3.110 1.00 0.00 C ATOM 754 C GLU A 53 -3.112 -8.894 3.872 1.00 0.00 C ATOM 755 O GLU A 53 -2.719 -8.012 4.635 1.00 0.00 O ATOM 756 CB GLU A 53 -1.419 -10.729 4.071 1.00 0.00 C ATOM 757 CG GLU A 53 -2.368 -11.662 4.810 1.00 0.00 C ATOM 758 CD GLU A 53 -3.113 -12.602 3.881 1.00 0.00 C ATOM 759 OE1 GLU A 53 -3.884 -12.112 3.029 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.926 -13.831 4.006 1.00 0.00 O ATOM 0 H GLU A 53 -0.664 -8.264 3.020 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.661 -10.352 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.700 -11.327 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.853 -10.150 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.803 -12.248 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.089 -11.068 5.373 1.00 0.00 H new ATOM 767 N TRP A 54 -4.399 -9.140 3.653 1.00 0.00 N ATOM 768 CA TRP A 54 -5.448 -8.370 4.312 1.00 0.00 C ATOM 769 C TRP A 54 -5.439 -8.602 5.820 1.00 0.00 C ATOM 770 O TRP A 54 -5.071 -9.679 6.291 1.00 0.00 O ATOM 771 CB TRP A 54 -6.819 -8.736 3.746 1.00 0.00 C ATOM 772 CG TRP A 54 -7.913 -7.847 4.252 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.293 -6.642 3.736 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.744 -8.078 5.394 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.324 -6.117 4.478 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.616 -6.979 5.504 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.837 -9.111 6.330 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.570 -6.886 6.515 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.782 -9.016 7.333 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.639 -7.911 7.419 1.00 0.00 C ATOM 0 H TRP A 54 -4.741 -9.867 3.024 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.250 -7.315 4.121 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.785 -8.679 2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.049 -9.770 4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.849 -6.170 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.795 -5.231 4.295 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.182 -9.968 6.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.232 -6.035 6.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.862 -9.807 8.064 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.368 -7.867 8.214 1.00 0.00 H new ATOM 791 N MET A 55 -5.853 -7.586 6.573 1.00 0.00 N ATOM 792 CA MET A 55 -5.901 -7.676 8.029 1.00 0.00 C ATOM 793 C MET A 55 -7.122 -6.946 8.579 1.00 0.00 C ATOM 794 O MET A 55 -7.811 -7.452 9.466 1.00 0.00 O ATOM 795 CB MET A 55 -4.630 -7.090 8.646 1.00 0.00 C ATOM 796 CG MET A 55 -3.363 -7.841 8.266 1.00 0.00 C ATOM 797 SD MET A 55 -3.361 -9.544 8.860 1.00 0.00 S ATOM 798 CE MET A 55 -3.477 -9.286 10.629 1.00 0.00 C ATOM 0 H MET A 55 -6.161 -6.689 6.197 1.00 0.00 H new ATOM 0 HA MET A 55 -5.973 -8.730 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.532 -6.050 8.335 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.730 -7.090 9.731 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.255 -7.838 7.181 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.498 -7.317 8.674 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.844 -10.009 11.144 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.146 -8.276 10.872 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.511 -9.416 10.949 1.00 0.00 H new ATOM 808 N SER A 56 -7.386 -5.754 8.049 1.00 0.00 N ATOM 809 CA SER A 56 -8.525 -4.955 8.487 1.00 0.00 C ATOM 810 C SER A 56 -8.955 -3.985 7.392 1.00 0.00 C ATOM 811 O SER A 56 -8.339 -3.925 6.326 1.00 0.00 O ATOM 812 CB SER A 56 -8.174 -4.180 9.759 1.00 0.00 C ATOM 813 OG SER A 56 -7.809 -5.060 10.809 1.00 0.00 O ATOM 0 H SER A 56 -6.825 -5.321 7.315 1.00 0.00 H new ATOM 0 HA SER A 56 -9.353 -5.631 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.353 -3.493 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.027 -3.575 10.067 1.00 0.00 H new ATOM 0 HG SER A 56 -7.588 -4.540 11.610 1.00 0.00 H new ATOM 819 N ALA A 57 -10.015 -3.226 7.658 1.00 0.00 N ATOM 820 CA ALA A 57 -10.525 -2.256 6.694 1.00 0.00 C ATOM 821 C ALA A 57 -9.658 -1.000 6.667 1.00 0.00 C ATOM 822 O ALA A 57 -10.165 0.114 6.522 1.00 0.00 O ATOM 823 CB ALA A 57 -11.967 -1.900 7.020 1.00 0.00 C ATOM 0 H ALA A 57 -10.537 -3.264 8.533 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.489 -2.709 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.336 -1.176 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.582 -2.799 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.018 -1.469 8.020 1.00 0.00 H new ATOM 829 N SER A 58 -8.349 -1.192 6.809 1.00 0.00 N ATOM 830 CA SER A 58 -7.396 -0.088 6.805 1.00 0.00 C ATOM 831 C SER A 58 -5.976 -0.619 6.957 1.00 0.00 C ATOM 832 O SER A 58 -5.043 -0.122 6.325 1.00 0.00 O ATOM 833 CB SER A 58 -7.706 0.896 7.936 1.00 0.00 C ATOM 834 OG SER A 58 -7.629 0.260 9.201 1.00 0.00 O ATOM 0 H SER A 58 -7.922 -2.111 6.929 1.00 0.00 H new ATOM 0 HA SER A 58 -7.482 0.436 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.003 1.729 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.703 1.314 7.796 1.00 0.00 H new ATOM 0 HG SER A 58 -7.829 0.910 9.907 1.00 0.00 H new ATOM 840 N LYS A 59 -5.822 -1.632 7.804 1.00 0.00 N ATOM 841 CA LYS A 59 -4.520 -2.239 8.048 1.00 0.00 C ATOM 842 C LYS A 59 -4.200 -3.287 6.988 1.00 0.00 C ATOM 843 O LYS A 59 -5.031 -4.141 6.676 1.00 0.00 O ATOM 844 CB LYS A 59 -4.487 -2.877 9.439 1.00 0.00 C ATOM 845 CG LYS A 59 -3.149 -3.503 9.794 1.00 0.00 C ATOM 846 CD LYS A 59 -3.177 -4.123 11.181 1.00 0.00 C ATOM 847 CE LYS A 59 -1.840 -4.751 11.537 1.00 0.00 C ATOM 848 NZ LYS A 59 -0.736 -3.754 11.522 1.00 0.00 N ATOM 0 H LYS A 59 -6.586 -2.050 8.334 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.765 -1.455 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.731 -2.118 10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.262 -3.641 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.896 -4.266 9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.367 -2.745 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.429 -3.360 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.960 -4.880 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.905 -5.206 12.525 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.616 -5.551 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.099 -3.953 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.133 -2.798 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.203 -3.813 12.413 1.00 0.00 H new ATOM 862 N ILE A 60 -2.989 -3.220 6.443 1.00 0.00 N ATOM 863 CA ILE A 60 -2.552 -4.166 5.422 1.00 0.00 C ATOM 864 C ILE A 60 -1.048 -4.403 5.516 1.00 0.00 C ATOM 865 O ILE A 60 -0.251 -3.490 5.292 1.00 0.00 O ATOM 866 CB ILE A 60 -2.888 -3.665 4.000 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.400 -3.475 3.836 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.355 -4.640 2.957 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.802 -2.915 2.488 1.00 0.00 C ATOM 0 H ILE A 60 -2.292 -2.519 6.692 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.087 -5.098 5.603 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.406 -2.699 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.896 -4.435 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.760 -2.807 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.599 -4.275 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.273 -4.725 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.812 -5.618 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.886 -2.809 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.336 -1.940 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.474 -3.593 1.700 1.00 0.00 H new ATOM 881 N VAL A 61 -0.666 -5.633 5.843 1.00 0.00 N ATOM 882 CA VAL A 61 0.743 -5.988 5.960 1.00 0.00 C ATOM 883 C VAL A 61 1.322 -6.350 4.597 1.00 0.00 C ATOM 884 O VAL A 61 0.826 -7.254 3.925 1.00 0.00 O ATOM 885 CB VAL A 61 0.947 -7.170 6.927 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.429 -7.448 7.129 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.264 -6.897 8.258 1.00 0.00 C ATOM 0 H VAL A 61 -1.312 -6.400 6.031 1.00 0.00 H new ATOM 0 HA VAL A 61 1.263 -5.116 6.357 1.00 0.00 H new ATOM 0 HB VAL A 61 0.491 -8.056 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.552 -8.286 7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.887 -7.693 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.911 -6.564 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.420 -7.743 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.687 -5.998 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.804 -6.754 8.096 1.00 0.00 H new ATOM 897 N CYS A 62 2.373 -5.643 4.194 1.00 0.00 N ATOM 898 CA CYS A 62 3.014 -5.896 2.907 1.00 0.00 C ATOM 899 C CYS A 62 4.313 -5.115 2.777 1.00 0.00 C ATOM 900 O CYS A 62 4.432 -3.995 3.272 1.00 0.00 O ATOM 901 CB CYS A 62 2.082 -5.523 1.758 1.00 0.00 C ATOM 902 SG CYS A 62 2.748 -5.896 0.120 1.00 0.00 S ATOM 0 H CYS A 62 2.798 -4.892 4.738 1.00 0.00 H new ATOM 0 HA CYS A 62 3.238 -6.962 2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.137 -6.052 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.861 -4.457 1.815 1.00 0.00 H new ATOM 0 HG CYS A 62 3.912 -5.332 -0.014 1.00 0.00 H new ATOM 908 N ARG A 63 5.278 -5.711 2.090 1.00 0.00 N ATOM 909 CA ARG A 63 6.569 -5.071 1.874 1.00 0.00 C ATOM 910 C ARG A 63 6.506 -4.156 0.656 1.00 0.00 C ATOM 911 O ARG A 63 5.981 -4.537 -0.390 1.00 0.00 O ATOM 912 CB ARG A 63 7.661 -6.124 1.683 1.00 0.00 C ATOM 913 CG ARG A 63 7.817 -7.059 2.871 1.00 0.00 C ATOM 914 CD ARG A 63 8.921 -8.077 2.639 1.00 0.00 C ATOM 915 NE ARG A 63 9.087 -8.974 3.779 1.00 0.00 N ATOM 916 CZ ARG A 63 9.999 -9.941 3.831 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.823 -10.136 2.811 1.00 0.00 N ATOM 918 NH2 ARG A 63 10.086 -10.714 4.905 1.00 0.00 N ATOM 0 H ARG A 63 5.191 -6.638 1.672 1.00 0.00 H new ATOM 0 HA ARG A 63 6.811 -4.473 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.435 -6.713 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.611 -5.622 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.039 -6.478 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.876 -7.577 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.693 -8.662 1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.859 -7.557 2.448 1.00 0.00 H new ATOM 0 HE ARG A 63 8.469 -8.852 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.759 -9.544 1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.521 -10.878 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.453 -10.567 5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.785 -11.455 4.944 1.00 0.00 H new ATOM 932 N VAL A 64 7.038 -2.947 0.800 1.00 0.00 N ATOM 933 CA VAL A 64 7.033 -1.977 -0.290 1.00 0.00 C ATOM 934 C VAL A 64 7.687 -2.541 -1.546 1.00 0.00 C ATOM 935 O VAL A 64 8.731 -3.190 -1.479 1.00 0.00 O ATOM 936 CB VAL A 64 7.745 -0.673 0.115 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.947 0.056 1.184 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.158 -0.961 0.603 1.00 0.00 C ATOM 0 H VAL A 64 7.477 -2.615 1.659 1.00 0.00 H new ATOM 0 HA VAL A 64 5.988 -1.757 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 64 7.813 -0.031 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.463 0.976 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.957 0.298 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.848 -0.582 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.643 -0.026 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.116 -1.623 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.727 -1.440 -0.193 1.00 0.00 H new ATOM 948 N GLY A 65 7.058 -2.292 -2.690 1.00 0.00 N ATOM 949 CA GLY A 65 7.580 -2.777 -3.954 1.00 0.00 C ATOM 950 C GLY A 65 8.898 -2.128 -4.328 1.00 0.00 C ATOM 951 O GLY A 65 9.852 -2.148 -3.552 1.00 0.00 O ATOM 0 H GLY A 65 6.191 -1.760 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.714 -3.857 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.850 -2.588 -4.741 1.00 0.00 H new ATOM 955 N GLN A 66 8.952 -1.552 -5.523 1.00 0.00 N ATOM 956 CA GLN A 66 10.163 -0.896 -6.003 1.00 0.00 C ATOM 957 C GLN A 66 9.822 0.353 -6.807 1.00 0.00 C ATOM 958 O GLN A 66 8.826 0.386 -7.531 1.00 0.00 O ATOM 959 CB GLN A 66 10.987 -1.861 -6.854 1.00 0.00 C ATOM 960 CG GLN A 66 10.234 -2.412 -8.054 1.00 0.00 C ATOM 961 CD GLN A 66 11.070 -3.361 -8.898 1.00 0.00 C ATOM 962 OE1 GLN A 66 12.321 -3.578 -8.501 1.00 0.00 O flip ATOM 963 NE2 GLN A 66 10.594 -3.894 -9.901 1.00 0.00 N flip ATOM 0 H GLN A 66 8.171 -1.526 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 66 10.753 -0.596 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.884 -1.349 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.316 -2.692 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.342 -2.934 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.897 -1.583 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.630 -3.701 -10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.164 -4.528 -10.461 1.00 0.00 H new ATOM 972 N ALA A 67 10.651 1.383 -6.665 1.00 0.00 N ATOM 973 CA ALA A 67 10.442 2.645 -7.366 1.00 0.00 C ATOM 974 C ALA A 67 10.299 2.440 -8.871 1.00 0.00 C ATOM 975 O ALA A 67 11.074 1.710 -9.488 1.00 0.00 O ATOM 976 CB ALA A 67 11.586 3.602 -7.078 1.00 0.00 C ATOM 0 H ALA A 67 11.478 1.367 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 67 9.510 3.074 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.418 4.540 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.638 3.794 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.524 3.159 -7.414 1.00 0.00 H new ATOM 982 N LYS A 68 9.307 3.108 -9.449 1.00 0.00 N ATOM 983 CA LYS A 68 9.044 3.035 -10.882 1.00 0.00 C ATOM 984 C LYS A 68 8.556 4.389 -11.382 1.00 0.00 C ATOM 985 O LYS A 68 8.965 4.857 -12.445 1.00 0.00 O ATOM 986 CB LYS A 68 7.999 1.956 -11.189 1.00 0.00 C ATOM 987 CG LYS A 68 8.432 0.547 -10.805 1.00 0.00 C ATOM 988 CD LYS A 68 9.671 0.102 -11.572 1.00 0.00 C ATOM 989 CE LYS A 68 9.405 0.003 -13.065 1.00 0.00 C ATOM 990 NZ LYS A 68 8.361 -1.012 -13.377 1.00 0.00 N ATOM 0 H LYS A 68 8.664 3.714 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 68 9.970 2.770 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.076 2.198 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.772 1.977 -12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.635 0.509 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.616 -0.149 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.482 0.808 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.003 -0.866 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.090 0.976 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.329 -0.256 -13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.374 -1.222 -14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.553 -1.883 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.426 -0.641 -13.112 1.00 0.00 H new ATOM 1004 N ASN A 69 7.693 5.018 -10.590 1.00 0.00 N ATOM 1005 CA ASN A 69 7.151 6.330 -10.919 1.00 0.00 C ATOM 1006 C ASN A 69 6.298 6.863 -9.772 1.00 0.00 C ATOM 1007 O ASN A 69 5.756 6.095 -8.978 1.00 0.00 O ATOM 1008 CB ASN A 69 6.331 6.291 -12.212 1.00 0.00 C ATOM 1009 CG ASN A 69 5.092 5.420 -12.112 1.00 0.00 C ATOM 1010 OD1 ASN A 69 4.947 4.705 -11.003 1.00 0.00 O flip ATOM 1011 ND2 ASN A 69 4.276 5.380 -13.033 1.00 0.00 N flip ATOM 0 H ASN A 69 7.352 4.635 -9.708 1.00 0.00 H new ATOM 0 HA ASN A 69 7.994 7.003 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.033 7.306 -12.475 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.961 5.923 -13.022 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.423 5.945 -13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.453 4.782 -12.960 1.00 0.00 H new ATOM 1018 N ASP A 70 6.210 8.185 -9.693 1.00 0.00 N ATOM 1019 CA ASP A 70 5.449 8.870 -8.645 1.00 0.00 C ATOM 1020 C ASP A 70 6.186 8.798 -7.310 1.00 0.00 C ATOM 1021 O ASP A 70 6.249 9.784 -6.575 1.00 0.00 O ATOM 1022 CB ASP A 70 4.041 8.283 -8.516 1.00 0.00 C ATOM 1023 CG ASP A 70 3.238 8.420 -9.794 1.00 0.00 C ATOM 1024 OD1 ASP A 70 3.669 7.869 -10.828 1.00 0.00 O ATOM 1025 OD2 ASP A 70 2.179 9.081 -9.761 1.00 0.00 O ATOM 0 H ASP A 70 6.663 8.817 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 70 5.353 9.918 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.113 7.229 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.514 8.784 -7.704 1.00 0.00 H new ATOM 1030 N LYS A 71 6.768 7.634 -7.022 1.00 0.00 N ATOM 1031 CA LYS A 71 7.533 7.419 -5.811 1.00 0.00 C ATOM 1032 C LYS A 71 6.681 7.528 -4.552 1.00 0.00 C ATOM 1033 O LYS A 71 6.042 8.550 -4.299 1.00 0.00 O ATOM 1034 CB LYS A 71 8.681 8.418 -5.751 1.00 0.00 C ATOM 1035 CG LYS A 71 9.686 8.091 -4.676 1.00 0.00 C ATOM 1036 CD LYS A 71 10.783 9.139 -4.598 1.00 0.00 C ATOM 1037 CE LYS A 71 11.777 8.823 -3.494 1.00 0.00 C ATOM 1038 NZ LYS A 71 12.821 9.877 -3.372 1.00 0.00 N ATOM 0 H LYS A 71 6.717 6.816 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 71 7.921 6.401 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.185 8.443 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.279 9.416 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.180 8.021 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.128 7.115 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.304 9.193 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.340 10.119 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.248 8.724 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.252 7.863 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.481 9.626 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.343 9.954 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.370 10.789 -3.154 1.00 0.00 H new ATOM 1052 N GLY A 72 6.711 6.468 -3.750 1.00 0.00 N ATOM 1053 CA GLY A 72 5.972 6.448 -2.498 1.00 0.00 C ATOM 1054 C GLY A 72 4.477 6.251 -2.668 1.00 0.00 C ATOM 1055 O GLY A 72 3.831 5.647 -1.811 1.00 0.00 O ATOM 0 H GLY A 72 7.237 5.617 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.364 5.649 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.147 7.385 -1.969 1.00 0.00 H new ATOM 1059 N ASP A 73 3.925 6.776 -3.756 1.00 0.00 N ATOM 1060 CA ASP A 73 2.493 6.669 -4.021 1.00 0.00 C ATOM 1061 C ASP A 73 1.979 5.255 -3.766 1.00 0.00 C ATOM 1062 O ASP A 73 2.514 4.283 -4.298 1.00 0.00 O ATOM 1063 CB ASP A 73 2.196 7.065 -5.467 1.00 0.00 C ATOM 1064 CG ASP A 73 2.872 6.144 -6.463 1.00 0.00 C ATOM 1065 OD1 ASP A 73 4.116 6.034 -6.423 1.00 0.00 O ATOM 1066 OD2 ASP A 73 2.157 5.532 -7.284 1.00 0.00 O ATOM 0 H ASP A 73 4.448 7.281 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 73 1.980 7.347 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.119 7.048 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.529 8.089 -5.637 1.00 0.00 H new ATOM 1071 N ILE A 74 0.928 5.152 -2.957 1.00 0.00 N ATOM 1072 CA ILE A 74 0.329 3.863 -2.642 1.00 0.00 C ATOM 1073 C ILE A 74 -1.095 3.799 -3.185 1.00 0.00 C ATOM 1074 O ILE A 74 -1.953 4.589 -2.793 1.00 0.00 O ATOM 1075 CB ILE A 74 0.315 3.606 -1.120 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.746 3.650 -0.571 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.343 2.266 -0.809 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.836 3.462 0.928 1.00 0.00 C ATOM 0 H ILE A 74 0.475 5.948 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 74 0.935 3.090 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.269 4.388 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.336 2.875 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.196 4.607 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.344 2.102 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.369 2.271 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.213 1.466 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.880 3.506 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.275 4.252 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.417 2.493 1.199 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.333 2.866 -4.100 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.647 2.715 -4.711 1.00 0.00 C ATOM 1092 C ILE A 75 -3.216 1.321 -4.468 1.00 0.00 C ATOM 1093 O ILE A 75 -2.509 0.320 -4.585 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.602 2.971 -6.235 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -2.119 4.393 -6.545 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.971 2.734 -6.853 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -0.642 4.611 -6.297 1.00 0.00 C ATOM 0 H ILE A 75 -0.633 2.204 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.291 3.459 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.891 2.270 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.339 4.621 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.687 5.099 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.923 2.918 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.277 1.703 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.696 3.411 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.380 5.641 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.417 4.417 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.064 3.932 -6.924 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.504 1.266 -4.146 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.180 -0.001 -3.902 1.00 0.00 C ATOM 1111 C VAL A 76 -6.600 0.024 -4.464 1.00 0.00 C ATOM 1112 O VAL A 76 -7.503 0.624 -3.880 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.219 -0.341 -2.398 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.796 0.818 -1.602 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.017 -1.614 -2.155 1.00 0.00 C ATOM 0 H VAL A 76 -5.101 2.087 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.609 -0.776 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.197 -0.511 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.815 0.559 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.177 1.703 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.810 1.025 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.032 -1.836 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.038 -1.477 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.553 -2.442 -2.691 1.00 0.00 H new ATOM 1125 N THR A 77 -6.791 -0.634 -5.603 1.00 0.00 N ATOM 1126 CA THR A 77 -8.100 -0.687 -6.239 1.00 0.00 C ATOM 1127 C THR A 77 -9.004 -1.685 -5.526 1.00 0.00 C ATOM 1128 O THR A 77 -8.600 -2.814 -5.249 1.00 0.00 O ATOM 1129 CB THR A 77 -7.990 -1.077 -7.726 1.00 0.00 C ATOM 1130 OG1 THR A 77 -7.104 -0.178 -8.402 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.354 -1.048 -8.397 1.00 0.00 C ATOM 0 H THR A 77 -6.057 -1.136 -6.102 1.00 0.00 H new ATOM 0 HA THR A 77 -8.532 0.311 -6.170 1.00 0.00 H new ATOM 0 HB THR A 77 -7.596 -2.092 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.050 -0.423 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.250 -1.327 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.020 -1.753 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.772 -0.044 -8.329 1.00 0.00 H new ATOM 1139 N THR A 78 -10.226 -1.261 -5.226 1.00 0.00 N ATOM 1140 CA THR A 78 -11.182 -2.121 -4.541 1.00 0.00 C ATOM 1141 C THR A 78 -12.464 -2.270 -5.351 1.00 0.00 C ATOM 1142 O THR A 78 -12.924 -1.318 -5.982 1.00 0.00 O ATOM 1143 CB THR A 78 -11.527 -1.572 -3.144 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.111 -0.270 -3.258 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.284 -1.500 -2.269 1.00 0.00 C ATOM 0 H THR A 78 -10.577 -0.329 -5.446 1.00 0.00 H new ATOM 0 HA THR A 78 -10.711 -3.098 -4.432 1.00 0.00 H new ATOM 0 HB THR A 78 -12.242 -2.250 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.329 0.070 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.552 -1.109 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.858 -2.497 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.550 -0.842 -2.733 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.033 -3.473 -5.330 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.263 -3.754 -6.062 1.00 0.00 C ATOM 1155 C LYS A 79 -15.333 -2.712 -5.749 1.00 0.00 C ATOM 1156 O LYS A 79 -15.967 -2.167 -6.654 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.783 -5.150 -5.706 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.827 -6.276 -6.074 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.639 -6.389 -7.580 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.945 -6.725 -8.284 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.543 -7.989 -7.773 1.00 0.00 N ATOM 0 H LYS A 79 -12.660 -4.269 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.039 -3.713 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.982 -5.191 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.734 -5.313 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.861 -6.102 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.209 -7.219 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.246 -5.450 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.899 -7.159 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.652 -5.907 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.767 -6.815 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.289 -8.308 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.806 -8.720 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.952 -7.824 -6.831 1.00 0.00 H new ATOM 1175 N SER A 80 -15.525 -2.438 -4.462 1.00 0.00 N ATOM 1176 CA SER A 80 -16.514 -1.459 -4.023 1.00 0.00 C ATOM 1177 C SER A 80 -16.088 -0.045 -4.402 1.00 0.00 C ATOM 1178 O SER A 80 -16.874 0.724 -4.957 1.00 0.00 O ATOM 1179 CB SER A 80 -16.715 -1.551 -2.509 1.00 0.00 C ATOM 1180 OG SER A 80 -17.171 -2.839 -2.130 1.00 0.00 O ATOM 0 H SER A 80 -15.007 -2.881 -3.703 1.00 0.00 H new ATOM 0 HA SER A 80 -17.455 -1.683 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.776 -1.330 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.435 -0.798 -2.189 1.00 0.00 H new ATOM 0 HG SER A 80 -17.290 -2.871 -1.158 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.839 0.292 -4.097 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.322 1.613 -4.408 1.00 0.00 C ATOM 1188 C GLY A 81 -14.137 1.831 -5.897 1.00 0.00 C ATOM 1189 O GLY A 81 -15.055 1.602 -6.686 1.00 0.00 O ATOM 0 H GLY A 81 -14.173 -0.329 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.004 2.368 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.367 1.753 -3.902 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.944 2.276 -6.280 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.656 2.521 -7.680 1.00 0.00 C ATOM 1195 C GLY A 82 -11.169 2.629 -7.952 1.00 0.00 C ATOM 1196 O GLY A 82 -10.675 2.108 -8.952 1.00 0.00 O ATOM 0 H GLY A 82 -12.171 2.471 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.075 1.714 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.148 3.441 -7.994 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.454 3.304 -7.056 1.00 0.00 N ATOM 1201 CA LYS A 83 -9.014 3.474 -7.202 1.00 0.00 C ATOM 1202 C LYS A 83 -8.410 4.057 -5.929 1.00 0.00 C ATOM 1203 O LYS A 83 -8.870 5.083 -5.426 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.707 4.386 -8.388 1.00 0.00 C ATOM 1205 CG LYS A 83 -7.261 4.317 -8.842 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.909 2.935 -9.370 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.494 2.893 -9.922 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.141 1.543 -10.442 1.00 0.00 N ATOM 0 H LYS A 83 -10.849 3.741 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.570 2.495 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.355 4.116 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.947 5.414 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.087 5.060 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.604 4.568 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.010 2.202 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.614 2.653 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.394 3.627 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.790 3.176 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.107 1.431 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.567 0.815 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.502 1.439 -11.412 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.383 3.392 -5.410 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.734 3.851 -4.196 1.00 0.00 C ATOM 1224 C GLY A 84 -5.864 5.074 -4.416 1.00 0.00 C ATOM 1225 O GLY A 84 -5.241 5.222 -5.467 1.00 0.00 O ATOM 0 H GLY A 84 -6.988 2.541 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.494 4.082 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.123 3.045 -3.790 1.00 0.00 H new ATOM 1229 N THR A 85 -5.820 5.946 -3.414 1.00 0.00 N ATOM 1230 CA THR A 85 -5.020 7.164 -3.484 1.00 0.00 C ATOM 1231 C THR A 85 -4.415 7.485 -2.122 1.00 0.00 C ATOM 1232 O THR A 85 -5.077 7.344 -1.093 1.00 0.00 O ATOM 1233 CB THR A 85 -5.858 8.369 -3.953 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.949 8.589 -3.051 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.393 8.146 -5.360 1.00 0.00 C ATOM 0 H THR A 85 -6.332 5.831 -2.539 1.00 0.00 H new ATOM 0 HA THR A 85 -4.227 6.984 -4.210 1.00 0.00 H new ATOM 0 HB THR A 85 -5.213 9.247 -3.964 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.475 9.358 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.981 9.011 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.559 8.011 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.023 7.256 -5.373 1.00 0.00 H new ATOM 1243 N SER A 86 -3.155 7.908 -2.118 1.00 0.00 N ATOM 1244 CA SER A 86 -2.470 8.237 -0.873 1.00 0.00 C ATOM 1245 C SER A 86 -1.738 9.568 -0.974 1.00 0.00 C ATOM 1246 O SER A 86 -0.973 9.802 -1.910 1.00 0.00 O ATOM 1247 CB SER A 86 -1.475 7.133 -0.509 1.00 0.00 C ATOM 1248 OG SER A 86 -0.810 7.426 0.707 1.00 0.00 O ATOM 0 H SER A 86 -2.590 8.031 -2.958 1.00 0.00 H new ATOM 0 HA SER A 86 -3.227 8.320 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.999 6.182 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.743 7.020 -1.309 1.00 0.00 H new ATOM 0 HG SER A 86 -1.467 7.699 1.381 1.00 0.00 H new ATOM 1254 N THR A 87 -1.970 10.431 0.008 1.00 0.00 N ATOM 1255 CA THR A 87 -1.328 11.735 0.050 1.00 0.00 C ATOM 1256 C THR A 87 0.138 11.598 0.447 1.00 0.00 C ATOM 1257 O THR A 87 0.988 12.374 0.010 1.00 0.00 O ATOM 1258 CB THR A 87 -2.035 12.680 1.040 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.960 12.145 2.367 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.493 12.875 0.650 1.00 0.00 C ATOM 0 H THR A 87 -2.601 10.248 0.788 1.00 0.00 H new ATOM 0 HA THR A 87 -1.398 12.162 -0.950 1.00 0.00 H new ATOM 0 HB THR A 87 -1.532 13.647 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.410 12.752 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.974 13.546 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.548 13.307 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.003 11.912 0.657 1.00 0.00 H new ATOM 1268 N VAL A 88 0.423 10.604 1.284 1.00 0.00 N ATOM 1269 CA VAL A 88 1.783 10.356 1.752 1.00 0.00 C ATOM 1270 C VAL A 88 2.571 9.518 0.751 1.00 0.00 C ATOM 1271 O VAL A 88 2.032 9.078 -0.267 1.00 0.00 O ATOM 1272 CB VAL A 88 1.787 9.641 3.116 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.092 10.494 4.166 1.00 0.00 C ATOM 1274 CG2 VAL A 88 1.130 8.271 3.010 1.00 0.00 C ATOM 0 H VAL A 88 -0.272 9.955 1.653 1.00 0.00 H new ATOM 0 HA VAL A 88 2.259 11.331 1.858 1.00 0.00 H new ATOM 0 HB VAL A 88 2.822 9.495 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.104 9.974 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.613 11.446 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.060 10.674 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.144 7.784 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.099 8.387 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.677 7.660 2.292 1.00 0.00 H new ATOM 1284 N SER A 89 3.848 9.299 1.047 1.00 0.00 N ATOM 1285 CA SER A 89 4.713 8.513 0.175 1.00 0.00 C ATOM 1286 C SER A 89 5.900 7.948 0.949 1.00 0.00 C ATOM 1287 O SER A 89 6.558 8.663 1.706 1.00 0.00 O ATOM 1288 CB SER A 89 5.213 9.372 -0.989 1.00 0.00 C ATOM 1289 OG SER A 89 5.910 10.512 -0.519 1.00 0.00 O ATOM 0 H SER A 89 4.307 9.655 1.885 1.00 0.00 H new ATOM 0 HA SER A 89 4.130 7.681 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.868 8.779 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.368 9.686 -1.603 1.00 0.00 H new ATOM 0 HG SER A 89 6.220 11.043 -1.282 1.00 0.00 H new ATOM 1295 N PHE A 90 6.169 6.663 0.750 1.00 0.00 N ATOM 1296 CA PHE A 90 7.277 5.996 1.423 1.00 0.00 C ATOM 1297 C PHE A 90 8.575 6.188 0.649 1.00 0.00 C ATOM 1298 O PHE A 90 8.642 5.901 -0.547 1.00 0.00 O ATOM 1299 CB PHE A 90 6.984 4.503 1.570 1.00 0.00 C ATOM 1300 CG PHE A 90 8.082 3.737 2.252 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.377 3.959 3.587 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.817 2.790 1.557 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.382 3.251 4.216 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.825 2.079 2.181 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.108 2.310 3.511 1.00 0.00 C ATOM 0 H PHE A 90 5.633 6.060 0.126 1.00 0.00 H new ATOM 0 HA PHE A 90 7.390 6.441 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.060 4.377 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.815 4.076 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.814 4.695 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.600 2.605 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.600 3.433 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.390 1.344 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.896 1.756 4.001 1.00 0.00 H new ATOM 1315 N LYS A 91 9.609 6.664 1.335 1.00 0.00 N ATOM 1316 CA LYS A 91 10.905 6.880 0.702 1.00 0.00 C ATOM 1317 C LYS A 91 11.723 5.592 0.700 1.00 0.00 C ATOM 1318 O LYS A 91 11.988 5.012 1.753 1.00 0.00 O ATOM 1319 CB LYS A 91 11.668 7.991 1.425 1.00 0.00 C ATOM 1320 CG LYS A 91 13.004 8.333 0.784 1.00 0.00 C ATOM 1321 CD LYS A 91 13.659 9.521 1.466 1.00 0.00 C ATOM 1322 CE LYS A 91 14.975 9.890 0.801 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.615 11.066 1.451 1.00 0.00 N ATOM 0 H LYS A 91 9.575 6.907 2.325 1.00 0.00 H new ATOM 0 HA LYS A 91 10.738 7.183 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.048 8.887 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.838 7.690 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.667 7.469 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.856 8.555 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.984 10.376 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.834 9.288 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.654 9.038 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.801 10.108 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.510 11.285 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.978 11.886 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.805 10.850 2.450 1.00 0.00 H new ATOM 1337 N LEU A 92 12.120 5.150 -0.490 1.00 0.00 N ATOM 1338 CA LEU A 92 12.906 3.928 -0.629 1.00 0.00 C ATOM 1339 C LEU A 92 14.384 4.199 -0.372 1.00 0.00 C ATOM 1340 O LEU A 92 14.964 5.122 -0.945 1.00 0.00 O ATOM 1341 CB LEU A 92 12.718 3.318 -2.025 1.00 0.00 C ATOM 1342 CG LEU A 92 11.311 2.788 -2.338 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.881 1.757 -1.305 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.303 3.927 -2.410 1.00 0.00 C ATOM 0 H LEU A 92 11.911 5.619 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 92 12.550 3.216 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.975 4.073 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.429 2.500 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 92 11.344 2.303 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.882 1.395 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.581 0.921 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.872 2.215 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.315 3.525 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.275 4.449 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.597 4.624 -3.195 1.00 0.00 H new ATOM 1356 N LEU A 93 14.989 3.388 0.492 1.00 0.00 N ATOM 1357 CA LEU A 93 16.401 3.540 0.824 1.00 0.00 C ATOM 1358 C LEU A 93 17.256 2.530 0.064 1.00 0.00 C ATOM 1359 O LEU A 93 16.883 1.365 -0.076 1.00 0.00 O ATOM 1360 CB LEU A 93 16.617 3.382 2.331 1.00 0.00 C ATOM 1361 CG LEU A 93 15.868 4.390 3.206 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.198 4.171 4.674 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.201 5.816 2.792 1.00 0.00 C ATOM 0 H LEU A 93 14.523 2.619 0.974 1.00 0.00 H new ATOM 0 HA LEU A 93 16.709 4.542 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.313 2.376 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.684 3.466 2.540 1.00 0.00 H new ATOM 0 HG LEU A 93 14.798 4.235 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.656 4.897 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.905 3.163 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.270 4.296 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.658 6.516 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.272 5.985 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.912 5.970 1.752 1.00 0.00 H new ATOM 1375 N LYS A 94 18.405 2.988 -0.421 1.00 0.00 N ATOM 1376 CA LYS A 94 19.323 2.133 -1.167 1.00 0.00 C ATOM 1377 C LYS A 94 19.914 1.048 -0.269 1.00 0.00 C ATOM 1378 O LYS A 94 20.262 1.308 0.883 1.00 0.00 O ATOM 1379 CB LYS A 94 20.451 2.966 -1.778 1.00 0.00 C ATOM 1380 CG LYS A 94 19.979 3.965 -2.820 1.00 0.00 C ATOM 1381 CD LYS A 94 21.140 4.778 -3.373 1.00 0.00 C ATOM 1382 CE LYS A 94 20.680 5.752 -4.445 1.00 0.00 C ATOM 1383 NZ LYS A 94 21.805 6.578 -4.966 1.00 0.00 N ATOM 0 H LYS A 94 18.724 3.950 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 94 18.757 1.653 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.967 3.502 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.179 2.296 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.482 3.437 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.242 4.635 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.619 5.328 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.890 4.106 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.225 5.199 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.910 6.405 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.449 7.229 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.223 7.126 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.529 5.957 -5.380 1.00 0.00 H new ATOM 1397 N PRO A 95 20.043 -0.186 -0.788 1.00 0.00 N ATOM 1398 CA PRO A 95 20.603 -1.306 -0.027 1.00 0.00 C ATOM 1399 C PRO A 95 22.092 -1.123 0.249 1.00 0.00 C ATOM 1400 O PRO A 95 22.859 -0.772 -0.647 1.00 0.00 O ATOM 1401 CB PRO A 95 20.374 -2.511 -0.941 1.00 0.00 C ATOM 1402 CG PRO A 95 20.295 -1.938 -2.313 1.00 0.00 C ATOM 1403 CD PRO A 95 19.661 -0.585 -2.156 1.00 0.00 C ATOM 0 HA PRO A 95 20.138 -1.407 0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.189 -3.230 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.456 -3.038 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.286 -1.856 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.701 -2.574 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.032 0.121 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.578 -0.632 -2.273 1.00 0.00 H new ATOM 1411 N GLU A 96 22.494 -1.364 1.493 1.00 0.00 N ATOM 1412 CA GLU A 96 23.892 -1.227 1.886 1.00 0.00 C ATOM 1413 C GLU A 96 24.720 -2.364 1.289 1.00 0.00 C ATOM 1414 O GLU A 96 25.082 -3.314 1.986 1.00 0.00 O ATOM 1415 CB GLU A 96 24.009 -1.227 3.415 1.00 0.00 C ATOM 1416 CG GLU A 96 25.275 -0.566 3.955 1.00 0.00 C ATOM 1417 CD GLU A 96 26.551 -1.288 3.561 1.00 0.00 C ATOM 1418 OE1 GLU A 96 26.918 -1.245 2.369 1.00 0.00 O ATOM 1419 OE2 GLU A 96 27.183 -1.897 4.450 1.00 0.00 O ATOM 0 H GLU A 96 21.871 -1.655 2.246 1.00 0.00 H new ATOM 0 HA GLU A 96 24.276 -0.281 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 96 23.142 -0.716 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 96 23.973 -2.257 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 96 25.322 0.461 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 96 25.215 -0.518 5.042 1.00 0.00 H new ATOM 1426 N LYS A 97 25.012 -2.263 -0.005 1.00 0.00 N ATOM 1427 CA LYS A 97 25.793 -3.284 -0.695 1.00 0.00 C ATOM 1428 C LYS A 97 27.261 -3.215 -0.287 1.00 0.00 C ATOM 1429 O LYS A 97 27.887 -4.287 -0.148 1.00 0.00 O ATOM 1430 CB LYS A 97 25.658 -3.126 -2.212 1.00 0.00 C ATOM 1431 CG LYS A 97 26.204 -1.810 -2.746 1.00 0.00 C ATOM 1432 CD LYS A 97 26.015 -1.701 -4.250 1.00 0.00 C ATOM 1433 CE LYS A 97 26.607 -0.410 -4.794 1.00 0.00 C ATOM 1434 NZ LYS A 97 26.396 -0.278 -6.263 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.775 -2.090 -0.111 1.00 0.00 O ATOM 0 H LYS A 97 24.720 -1.485 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 97 25.403 -4.260 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.179 -3.949 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.606 -3.208 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.700 -0.979 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.264 -1.729 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.486 -2.553 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.952 -1.744 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 97 26.154 0.440 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 97 27.675 -0.380 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 26.814 0.615 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 26.850 -1.076 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 25.377 -0.281 -6.469 1.00 0.00 H new TER 1449 LYS A 97