USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 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 89 HIS : no HD1:sc= -2.6! K(o=-5.1!,f=-3.8) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.5! C(o=-5.1!,f=-12!) USER MOD Set 2.1: A 67 ASN : amide:sc= -5.78! C(o=-6!,f=-17!) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.185 X(o=-6,f=-6.2) USER MOD Set 3.1: A 55 ASN : amide:sc= -7.56! C(o=-14!,f=-20!) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -122:sc= -6.08! (180deg=0) USER MOD Set 4.1: A 36 HIS : no HD1:sc= -0.196 X(o=-0.61,f=-0.22) USER MOD Set 4.2: A 37 GLN : amide:sc= -0.415 X(o=-0.61,f=-0.32) USER MOD Set 5.1: A 3 GLN : amide:sc= -0.124 X(o=-2.2,f=-2.1!) USER MOD Set 5.2: A 76 GLN : amide:sc= -2.05 X(o=-2.2,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.632 (180deg=-0.133!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -1.93 (180deg=-2.57!) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0856 (180deg=-0.642) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 25 TYR OH : rot 90:sc= -0.0758 USER MOD Single : A 26 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.7!) USER MOD Single : A 31 GLN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0844) USER MOD Single : A 43 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.2) USER MOD Single : A 47 SER OG : rot -53:sc= 0.897 USER MOD Single : A 51 ASN : amide:sc= -2.65! C(o=-2.6!,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= -0.967! (180deg=-2.32!) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc=-0.00217 (180deg=-0.148) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-1.6) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -170:sc= -0.0563 USER MOD Single : A 71 THR OG1 : rot 87:sc= -1.28! USER MOD Single : A 72 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.22) USER MOD Single : A 78 THR OG1 : rot 2:sc= 0.325 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.460 5.802 22.367 1.00 0.00 N ATOM 2 CA MET A 1 -6.291 4.953 23.579 1.00 0.00 C ATOM 3 C MET A 1 -6.837 3.558 23.301 1.00 0.00 C ATOM 4 O MET A 1 -7.939 3.214 23.730 1.00 0.00 O ATOM 5 CB MET A 1 -7.047 5.587 24.751 1.00 0.00 C ATOM 6 CG MET A 1 -6.383 6.912 25.131 1.00 0.00 C ATOM 7 SD MET A 1 -6.747 8.155 23.866 1.00 0.00 S ATOM 8 CE MET A 1 -8.271 8.792 24.603 1.00 0.00 C ATOM 0 H1 MET A 1 -6.499 6.803 22.647 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.656 5.653 21.724 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.343 5.543 21.882 1.00 0.00 H new ATOM 0 HA MET A 1 -5.233 4.878 23.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.088 5.756 24.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.048 4.910 25.606 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.747 7.248 26.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.305 6.777 25.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.675 9.585 23.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.000 7.986 24.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.057 9.189 25.595 1.00 0.00 H new ATOM 20 N GLY A 2 -6.059 2.757 22.581 1.00 0.00 N ATOM 21 CA GLY A 2 -6.475 1.400 22.252 1.00 0.00 C ATOM 22 C GLY A 2 -5.506 0.757 21.270 1.00 0.00 C ATOM 23 O GLY A 2 -5.214 1.319 20.215 1.00 0.00 O ATOM 0 H GLY A 2 -5.144 3.022 22.217 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.528 0.801 23.161 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.477 1.417 21.822 1.00 0.00 H new ATOM 27 N GLN A 3 -5.009 -0.426 21.620 1.00 0.00 N ATOM 28 CA GLN A 3 -4.069 -1.141 20.758 1.00 0.00 C ATOM 29 C GLN A 3 -4.807 -2.148 19.885 1.00 0.00 C ATOM 30 O GLN A 3 -4.187 -2.954 19.193 1.00 0.00 O ATOM 31 CB GLN A 3 -3.028 -1.867 21.610 1.00 0.00 C ATOM 32 CG GLN A 3 -2.129 -0.841 22.302 1.00 0.00 C ATOM 33 CD GLN A 3 -1.094 -1.553 23.166 1.00 0.00 C ATOM 34 OE1 GLN A 3 -1.013 -2.781 23.152 1.00 0.00 O ATOM 35 NE2 GLN A 3 -0.295 -0.852 23.922 1.00 0.00 N ATOM 0 H GLN A 3 -5.239 -0.909 22.489 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.569 -0.416 20.115 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.523 -2.492 22.353 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.428 -2.529 20.985 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.629 -0.222 21.557 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.732 -0.174 22.918 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.364 0.166 23.932 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.399 -1.321 24.504 1.00 0.00 H new ATOM 44 N ILE A 4 -6.138 -2.095 19.920 1.00 0.00 N ATOM 45 CA ILE A 4 -6.956 -3.007 19.125 1.00 0.00 C ATOM 46 C ILE A 4 -7.171 -2.448 17.723 1.00 0.00 C ATOM 47 O ILE A 4 -7.051 -1.243 17.501 1.00 0.00 O ATOM 48 CB ILE A 4 -8.297 -3.231 19.801 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.084 -3.930 21.147 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.185 -4.104 18.912 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.375 -3.865 21.969 1.00 0.00 C ATOM 0 H ILE A 4 -6.669 -1.434 20.487 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.432 -3.960 19.046 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.781 -2.268 19.962 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.794 -4.969 20.987 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.270 -3.452 21.692 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.146 -4.262 19.401 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.342 -3.607 17.955 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.700 -5.066 18.746 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.222 -4.363 22.927 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.645 -2.823 22.141 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.178 -4.363 21.425 1.00 0.00 H new ATOM 63 N PHE A 5 -7.487 -3.332 16.779 1.00 0.00 N ATOM 64 CA PHE A 5 -7.716 -2.906 15.403 1.00 0.00 C ATOM 65 C PHE A 5 -9.002 -2.093 15.303 1.00 0.00 C ATOM 66 O PHE A 5 -10.041 -2.487 15.830 1.00 0.00 O ATOM 67 CB PHE A 5 -7.812 -4.137 14.491 1.00 0.00 C ATOM 68 CG PHE A 5 -6.424 -4.663 14.204 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.741 -5.407 15.171 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.823 -4.402 12.967 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.457 -5.890 14.903 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.538 -4.886 12.698 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.854 -5.630 13.665 1.00 0.00 C ATOM 0 H PHE A 5 -7.589 -4.334 16.939 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.881 -2.281 15.087 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.414 -4.910 14.969 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.312 -3.874 13.559 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.206 -5.608 16.125 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.351 -3.827 12.220 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.929 -6.464 15.650 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.074 -4.685 11.744 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.862 -6.004 13.458 1.00 0.00 H new ATOM 83 N THR A 6 -8.922 -0.958 14.616 1.00 0.00 N ATOM 84 CA THR A 6 -10.086 -0.095 14.449 1.00 0.00 C ATOM 85 C THR A 6 -10.950 -0.578 13.289 1.00 0.00 C ATOM 86 O THR A 6 -10.494 -1.338 12.435 1.00 0.00 O ATOM 87 CB THR A 6 -9.633 1.345 14.188 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.597 1.346 13.216 1.00 0.00 O ATOM 89 CG2 THR A 6 -9.117 1.963 15.488 1.00 0.00 C ATOM 0 H THR A 6 -8.071 -0.616 14.169 1.00 0.00 H new ATOM 0 HA THR A 6 -10.677 -0.130 15.364 1.00 0.00 H new ATOM 0 HB THR A 6 -10.476 1.930 13.820 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.308 2.267 13.047 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.795 2.987 15.301 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.913 1.963 16.232 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.274 1.380 15.859 1.00 0.00 H new ATOM 97 N VAL A 7 -12.198 -0.125 13.264 1.00 0.00 N ATOM 98 CA VAL A 7 -13.119 -0.506 12.201 1.00 0.00 C ATOM 99 C VAL A 7 -12.652 0.051 10.860 1.00 0.00 C ATOM 100 O VAL A 7 -12.744 -0.620 9.832 1.00 0.00 O ATOM 101 CB VAL A 7 -14.523 0.010 12.512 1.00 0.00 C ATOM 102 CG1 VAL A 7 -14.990 -0.557 13.854 1.00 0.00 C ATOM 103 CG2 VAL A 7 -14.499 1.538 12.586 1.00 0.00 C ATOM 0 H VAL A 7 -12.593 0.503 13.964 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.141 -1.594 12.140 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.208 -0.306 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.992 -0.189 14.076 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.007 -1.646 13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.305 -0.241 14.641 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.500 1.907 12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.813 1.853 13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.166 1.943 11.630 1.00 0.00 H new ATOM 113 N GLN A 8 -12.166 1.288 10.876 1.00 0.00 N ATOM 114 CA GLN A 8 -11.705 1.933 9.652 1.00 0.00 C ATOM 115 C GLN A 8 -10.659 1.073 8.953 1.00 0.00 C ATOM 116 O GLN A 8 -10.667 0.943 7.730 1.00 0.00 O ATOM 117 CB GLN A 8 -11.103 3.302 9.980 1.00 0.00 C ATOM 118 CG GLN A 8 -12.207 4.245 10.464 1.00 0.00 C ATOM 119 CD GLN A 8 -11.609 5.593 10.850 1.00 0.00 C ATOM 120 OE1 GLN A 8 -10.409 5.811 10.688 1.00 0.00 O ATOM 121 NE2 GLN A 8 -12.380 6.519 11.353 1.00 0.00 N ATOM 0 H GLN A 8 -12.082 1.860 11.716 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.559 2.059 8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.336 3.199 10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.617 3.718 9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.952 4.379 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.721 3.807 11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.375 6.337 11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.988 7.424 11.612 1.00 0.00 H new ATOM 130 N GLU A 9 -9.762 0.485 9.737 1.00 0.00 N ATOM 131 CA GLU A 9 -8.715 -0.363 9.180 1.00 0.00 C ATOM 132 C GLU A 9 -9.314 -1.624 8.564 1.00 0.00 C ATOM 133 O GLU A 9 -8.904 -2.056 7.487 1.00 0.00 O ATOM 134 CB GLU A 9 -7.720 -0.750 10.275 1.00 0.00 C ATOM 135 CG GLU A 9 -6.937 0.487 10.716 1.00 0.00 C ATOM 136 CD GLU A 9 -5.992 0.127 11.856 1.00 0.00 C ATOM 137 OE1 GLU A 9 -5.983 -1.028 12.251 1.00 0.00 O ATOM 138 OE2 GLU A 9 -5.289 1.010 12.319 1.00 0.00 O ATOM 0 H GLU A 9 -9.738 0.579 10.752 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.198 0.196 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.249 -1.181 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.036 -1.514 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.370 0.887 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.626 1.268 11.037 1.00 0.00 H new ATOM 145 N LEU A 10 -10.286 -2.209 9.255 1.00 0.00 N ATOM 146 CA LEU A 10 -10.936 -3.418 8.765 1.00 0.00 C ATOM 147 C LEU A 10 -11.713 -3.139 7.489 1.00 0.00 C ATOM 148 O LEU A 10 -11.703 -3.945 6.558 1.00 0.00 O ATOM 149 CB LEU A 10 -11.885 -3.968 9.833 1.00 0.00 C ATOM 150 CG LEU A 10 -11.072 -4.491 11.023 1.00 0.00 C ATOM 151 CD1 LEU A 10 -12.008 -4.748 12.205 1.00 0.00 C ATOM 152 CD2 LEU A 10 -10.357 -5.802 10.641 1.00 0.00 C ATOM 0 H LEU A 10 -10.639 -1.869 10.149 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.164 -4.155 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.570 -3.187 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.494 -4.770 9.415 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.326 -3.746 11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.431 -5.120 13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.505 -3.819 12.484 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.756 -5.489 11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.782 -6.165 11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.097 -6.550 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.685 -5.619 9.802 1.00 0.00 H new ATOM 164 N LYS A 11 -12.388 -1.997 7.452 1.00 0.00 N ATOM 165 CA LYS A 11 -13.172 -1.624 6.284 1.00 0.00 C ATOM 166 C LYS A 11 -12.290 -1.530 5.044 1.00 0.00 C ATOM 167 O LYS A 11 -12.676 -1.972 3.963 1.00 0.00 O ATOM 168 CB LYS A 11 -13.866 -0.281 6.523 1.00 0.00 C ATOM 169 CG LYS A 11 -15.012 -0.464 7.520 1.00 0.00 C ATOM 170 CD LYS A 11 -15.721 0.874 7.735 1.00 0.00 C ATOM 171 CE LYS A 11 -16.888 0.683 8.705 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.591 1.983 8.900 1.00 0.00 N ATOM 0 H LYS A 11 -12.408 -1.318 8.213 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.923 -2.397 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.150 0.446 6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.249 0.114 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.718 -1.206 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.627 -0.840 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.021 1.609 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.085 1.262 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.581 -0.062 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.522 0.308 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.385 1.853 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.927 2.682 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.953 2.323 7.986 1.00 0.00 H new ATOM 186 N GLU A 12 -11.108 -0.948 5.207 1.00 0.00 N ATOM 187 CA GLU A 12 -10.182 -0.799 4.093 1.00 0.00 C ATOM 188 C GLU A 12 -9.702 -2.160 3.601 1.00 0.00 C ATOM 189 O GLU A 12 -9.728 -2.441 2.403 1.00 0.00 O ATOM 190 CB GLU A 12 -8.979 0.043 4.527 1.00 0.00 C ATOM 191 CG GLU A 12 -8.074 0.300 3.320 1.00 0.00 C ATOM 192 CD GLU A 12 -6.918 1.209 3.721 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.746 1.428 4.909 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.217 1.670 2.835 1.00 0.00 O ATOM 0 H GLU A 12 -10.770 -0.574 6.094 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.704 -0.299 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.317 0.989 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.423 -0.474 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.689 -0.645 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.648 0.761 2.516 1.00 0.00 H new ATOM 201 N ARG A 13 -9.263 -3.000 4.533 1.00 0.00 N ATOM 202 CA ARG A 13 -8.777 -4.329 4.181 1.00 0.00 C ATOM 203 C ARG A 13 -9.935 -5.236 3.778 1.00 0.00 C ATOM 204 O ARG A 13 -9.744 -6.226 3.071 1.00 0.00 O ATOM 205 CB ARG A 13 -8.030 -4.945 5.366 1.00 0.00 C ATOM 206 CG ARG A 13 -6.749 -4.151 5.630 1.00 0.00 C ATOM 207 CD ARG A 13 -6.006 -4.765 6.818 1.00 0.00 C ATOM 208 NE ARG A 13 -6.798 -4.627 8.034 1.00 0.00 N ATOM 209 CZ ARG A 13 -6.370 -5.119 9.192 1.00 0.00 C ATOM 210 NH1 ARG A 13 -5.222 -5.735 9.255 1.00 0.00 N ATOM 211 NH2 ARG A 13 -7.099 -4.986 10.266 1.00 0.00 N ATOM 0 H ARG A 13 -9.234 -2.786 5.530 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.097 -4.232 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.664 -4.938 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.788 -5.987 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.113 -4.161 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.990 -3.109 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.804 -5.819 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.041 -4.274 6.946 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.696 -4.145 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.652 -5.839 8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.894 -6.112 10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.997 -4.505 10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.771 -5.363 11.155 1.00 0.00 H new ATOM 225 N ALA A 14 -11.134 -4.894 4.236 1.00 0.00 N ATOM 226 CA ALA A 14 -12.316 -5.687 3.920 1.00 0.00 C ATOM 227 C ALA A 14 -12.720 -5.494 2.466 1.00 0.00 C ATOM 228 O ALA A 14 -13.561 -6.226 1.946 1.00 0.00 O ATOM 229 CB ALA A 14 -13.477 -5.285 4.831 1.00 0.00 C ATOM 0 H ALA A 14 -11.313 -4.079 4.823 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.075 -6.738 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.355 -5.883 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.199 -5.456 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.705 -4.229 4.685 1.00 0.00 H new ATOM 235 N LYS A 15 -12.114 -4.508 1.815 1.00 0.00 N ATOM 236 CA LYS A 15 -12.414 -4.235 0.415 1.00 0.00 C ATOM 237 C LYS A 15 -12.018 -5.408 -0.462 1.00 0.00 C ATOM 238 O LYS A 15 -12.774 -5.797 -1.351 1.00 0.00 O ATOM 239 CB LYS A 15 -11.673 -2.980 -0.045 1.00 0.00 C ATOM 240 CG LYS A 15 -12.317 -1.746 0.578 1.00 0.00 C ATOM 241 CD LYS A 15 -11.567 -0.494 0.122 1.00 0.00 C ATOM 242 CE LYS A 15 -12.347 0.747 0.548 1.00 0.00 C ATOM 243 NZ LYS A 15 -12.405 0.820 2.035 1.00 0.00 N ATOM 0 H LYS A 15 -11.418 -3.889 2.230 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.489 -4.078 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.624 -3.039 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.701 -2.907 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.365 -1.682 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.294 -1.821 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.568 -0.476 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.443 -0.505 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.870 1.642 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.356 0.713 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.240 1.369 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.470 -0.141 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.545 1.283 2.394 1.00 0.00 H new ATOM 257 N VAL A 16 -10.834 -5.971 -0.204 1.00 0.00 N ATOM 258 CA VAL A 16 -10.340 -7.113 -0.977 1.00 0.00 C ATOM 259 C VAL A 16 -10.786 -7.017 -2.433 1.00 0.00 C ATOM 260 O VAL A 16 -10.935 -5.923 -2.974 1.00 0.00 O ATOM 261 CB VAL A 16 -10.849 -8.419 -0.359 1.00 0.00 C ATOM 262 CG1 VAL A 16 -10.341 -8.534 1.080 1.00 0.00 C ATOM 263 CG2 VAL A 16 -12.385 -8.433 -0.358 1.00 0.00 C ATOM 0 H VAL A 16 -10.202 -5.656 0.532 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.250 -7.102 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.482 -9.260 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.703 -9.463 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.251 -8.532 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.707 -7.689 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.740 -9.365 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.756 -7.591 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.750 -8.354 -1.382 1.00 0.00 H new ATOM 273 N PHE A 17 -11.044 -8.166 -3.049 1.00 0.00 N ATOM 274 CA PHE A 17 -11.509 -8.200 -4.431 1.00 0.00 C ATOM 275 C PHE A 17 -13.027 -8.359 -4.484 1.00 0.00 C ATOM 276 O PHE A 17 -13.629 -8.979 -3.607 1.00 0.00 O ATOM 277 CB PHE A 17 -10.848 -9.362 -5.167 1.00 0.00 C ATOM 278 CG PHE A 17 -9.361 -9.116 -5.255 1.00 0.00 C ATOM 279 CD1 PHE A 17 -8.853 -8.236 -6.218 1.00 0.00 C ATOM 280 CD2 PHE A 17 -8.489 -9.767 -4.373 1.00 0.00 C ATOM 281 CE1 PHE A 17 -7.475 -8.008 -6.301 1.00 0.00 C ATOM 282 CE2 PHE A 17 -7.111 -9.538 -4.455 1.00 0.00 C ATOM 283 CZ PHE A 17 -6.604 -8.659 -5.419 1.00 0.00 C ATOM 0 H PHE A 17 -10.939 -9.083 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.239 -7.260 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.043 -10.298 -4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.271 -9.462 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.525 -7.733 -6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.880 -10.446 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.083 -7.330 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.439 -10.039 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.540 -8.483 -5.483 1.00 0.00 H new ATOM 293 N ALA A 18 -13.637 -7.790 -5.520 1.00 0.00 N ATOM 294 CA ALA A 18 -15.083 -7.872 -5.685 1.00 0.00 C ATOM 295 C ALA A 18 -15.793 -7.159 -4.546 1.00 0.00 C ATOM 296 O ALA A 18 -15.476 -6.014 -4.218 1.00 0.00 O ATOM 297 CB ALA A 18 -15.523 -9.338 -5.730 1.00 0.00 C ATOM 0 H ALA A 18 -13.155 -7.270 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.350 -7.386 -6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.605 -9.390 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.038 -9.838 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.240 -9.832 -4.800 1.00 0.00 H new ATOM 303 N LYS A 19 -16.761 -7.843 -3.938 1.00 0.00 N ATOM 304 CA LYS A 19 -17.502 -7.263 -2.842 1.00 0.00 C ATOM 305 C LYS A 19 -17.990 -8.357 -1.873 1.00 0.00 C ATOM 306 O LYS A 19 -18.808 -9.201 -2.257 1.00 0.00 O ATOM 307 CB LYS A 19 -18.698 -6.475 -3.357 1.00 0.00 C ATOM 308 CG LYS A 19 -19.263 -5.587 -2.225 1.00 0.00 C ATOM 309 CD LYS A 19 -18.542 -4.232 -2.222 1.00 0.00 C ATOM 310 CE LYS A 19 -19.092 -3.366 -1.094 1.00 0.00 C ATOM 311 NZ LYS A 19 -18.837 -4.034 0.214 1.00 0.00 N ATOM 0 H LYS A 19 -17.042 -8.791 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.832 -6.588 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.401 -5.856 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.468 -7.158 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.334 -5.440 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.133 -6.081 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.470 -4.379 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.682 -3.732 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.619 -2.384 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.162 -3.207 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.874 -3.328 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.562 -4.761 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.897 -4.479 0.199 1.00 0.00 H new ATOM 325 N PRO A 20 -17.519 -8.357 -0.648 1.00 0.00 N ATOM 326 CA PRO A 20 -17.924 -9.366 0.371 1.00 0.00 C ATOM 327 C PRO A 20 -19.317 -9.092 0.925 1.00 0.00 C ATOM 328 O PRO A 20 -19.821 -7.972 0.842 1.00 0.00 O ATOM 329 CB PRO A 20 -16.847 -9.230 1.455 1.00 0.00 C ATOM 330 CG PRO A 20 -16.365 -7.815 1.355 1.00 0.00 C ATOM 331 CD PRO A 20 -16.549 -7.394 -0.097 1.00 0.00 C ATOM 0 HA PRO A 20 -17.988 -10.373 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.255 -9.438 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.033 -9.936 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.931 -7.165 2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.318 -7.740 1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.922 -6.372 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.605 -7.428 -0.641 1.00 0.00 H new ATOM 339 N ILE A 21 -19.928 -10.121 1.503 1.00 0.00 N ATOM 340 CA ILE A 21 -21.259 -9.980 2.081 1.00 0.00 C ATOM 341 C ILE A 21 -21.174 -9.432 3.503 1.00 0.00 C ATOM 342 O ILE A 21 -20.400 -9.924 4.325 1.00 0.00 O ATOM 343 CB ILE A 21 -21.965 -11.336 2.100 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.398 -11.156 2.604 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.214 -12.292 3.030 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.181 -12.454 2.393 1.00 0.00 C ATOM 0 H ILE A 21 -19.526 -11.055 1.583 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.827 -9.280 1.468 1.00 0.00 H new ATOM 0 HB ILE A 21 -21.982 -11.750 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.392 -10.890 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -23.882 -10.337 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -21.718 -13.258 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -20.193 -12.420 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.196 -11.879 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -25.202 -12.325 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -24.198 -12.700 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -23.701 -13.262 2.945 1.00 0.00 H new ATOM 358 N GLY A 22 -21.975 -8.409 3.785 1.00 0.00 N ATOM 359 CA GLY A 22 -21.987 -7.800 5.109 1.00 0.00 C ATOM 360 C GLY A 22 -22.801 -8.640 6.084 1.00 0.00 C ATOM 361 O GLY A 22 -23.061 -9.816 5.834 1.00 0.00 O ATOM 0 H GLY A 22 -22.621 -7.987 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.966 -7.697 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.407 -6.796 5.048 1.00 0.00 H new ATOM 365 N ALA A 23 -23.199 -8.028 7.196 1.00 0.00 N ATOM 366 CA ALA A 23 -23.987 -8.730 8.204 1.00 0.00 C ATOM 367 C ALA A 23 -23.101 -9.670 9.018 1.00 0.00 C ATOM 368 O ALA A 23 -22.932 -9.491 10.224 1.00 0.00 O ATOM 369 CB ALA A 23 -25.113 -9.528 7.530 1.00 0.00 C ATOM 0 H ALA A 23 -22.991 -7.055 7.421 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.424 -7.992 8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.696 -10.048 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -25.762 -8.847 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.682 -10.255 6.842 1.00 0.00 H new ATOM 375 N SER A 24 -22.550 -10.678 8.347 1.00 0.00 N ATOM 376 CA SER A 24 -21.696 -11.648 9.020 1.00 0.00 C ATOM 377 C SER A 24 -20.348 -11.022 9.360 1.00 0.00 C ATOM 378 O SER A 24 -19.805 -11.249 10.440 1.00 0.00 O ATOM 379 CB SER A 24 -21.480 -12.865 8.118 1.00 0.00 C ATOM 380 OG SER A 24 -20.880 -12.446 6.900 1.00 0.00 O ATOM 0 H SER A 24 -22.678 -10.842 7.349 1.00 0.00 H new ATOM 0 HA SER A 24 -22.185 -11.961 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.843 -13.594 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 24 -22.432 -13.357 7.918 1.00 0.00 H new ATOM 0 HG SER A 24 -20.739 -13.224 6.321 1.00 0.00 H new ATOM 386 N TYR A 25 -19.819 -10.227 8.436 1.00 0.00 N ATOM 387 CA TYR A 25 -18.538 -9.564 8.654 1.00 0.00 C ATOM 388 C TYR A 25 -18.714 -8.335 9.542 1.00 0.00 C ATOM 389 O TYR A 25 -17.756 -7.845 10.136 1.00 0.00 O ATOM 390 CB TYR A 25 -17.928 -9.149 7.315 1.00 0.00 C ATOM 391 CG TYR A 25 -16.558 -8.554 7.547 1.00 0.00 C ATOM 392 CD1 TYR A 25 -15.476 -9.388 7.854 1.00 0.00 C ATOM 393 CD2 TYR A 25 -16.371 -7.170 7.459 1.00 0.00 C ATOM 394 CE1 TYR A 25 -14.208 -8.838 8.070 1.00 0.00 C ATOM 395 CE2 TYR A 25 -15.103 -6.619 7.675 1.00 0.00 C ATOM 396 CZ TYR A 25 -14.021 -7.453 7.981 1.00 0.00 C ATOM 397 OH TYR A 25 -12.770 -6.911 8.193 1.00 0.00 O ATOM 0 H TYR A 25 -20.253 -10.027 7.535 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.869 -10.264 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -17.854 -10.013 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.572 -8.423 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -15.620 -10.456 7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -17.206 -6.527 7.224 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.373 -9.482 8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.959 -5.551 7.606 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.284 -6.867 7.343 1.00 0.00 H new ATOM 407 N GLN A 26 -19.946 -7.844 9.624 1.00 0.00 N ATOM 408 CA GLN A 26 -20.239 -6.671 10.441 1.00 0.00 C ATOM 409 C GLN A 26 -20.048 -6.987 11.921 1.00 0.00 C ATOM 410 O GLN A 26 -19.748 -6.102 12.720 1.00 0.00 O ATOM 411 CB GLN A 26 -21.676 -6.206 10.193 1.00 0.00 C ATOM 412 CG GLN A 26 -21.969 -4.972 11.049 1.00 0.00 C ATOM 413 CD GLN A 26 -23.320 -4.380 10.666 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.845 -4.674 9.592 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.917 -3.558 11.484 1.00 0.00 N ATOM 0 H GLN A 26 -20.753 -8.236 9.139 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.549 -5.875 10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.816 -5.971 9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.375 -7.006 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.968 -5.243 12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.184 -4.228 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.480 -3.316 12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.821 -3.157 11.234 1.00 0.00 H new ATOM 424 N GLY A 27 -20.233 -8.253 12.278 1.00 0.00 N ATOM 425 CA GLY A 27 -20.087 -8.675 13.666 1.00 0.00 C ATOM 426 C GLY A 27 -18.665 -8.436 14.161 1.00 0.00 C ATOM 427 O GLY A 27 -18.450 -8.112 15.329 1.00 0.00 O ATOM 0 H GLY A 27 -20.483 -9.000 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.791 -8.128 14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.335 -9.733 13.757 1.00 0.00 H new ATOM 431 N ILE A 28 -17.698 -8.593 13.264 1.00 0.00 N ATOM 432 CA ILE A 28 -16.300 -8.389 13.615 1.00 0.00 C ATOM 433 C ILE A 28 -16.028 -6.914 13.883 1.00 0.00 C ATOM 434 O ILE A 28 -15.071 -6.564 14.571 1.00 0.00 O ATOM 435 CB ILE A 28 -15.393 -8.888 12.490 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.519 -10.410 12.378 1.00 0.00 C ATOM 437 CG2 ILE A 28 -13.939 -8.517 12.796 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.801 -10.890 11.117 1.00 0.00 C ATOM 0 H ILE A 28 -17.857 -8.860 12.292 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.087 -8.956 14.521 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.692 -8.424 11.550 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.088 -10.887 13.258 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.570 -10.697 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.295 -8.874 11.992 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.849 -7.434 12.878 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.636 -8.979 13.736 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -14.891 -11.973 11.037 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.252 -10.423 10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.747 -10.616 11.172 1.00 0.00 H new ATOM 450 N LEU A 29 -16.864 -6.048 13.320 1.00 0.00 N ATOM 451 CA LEU A 29 -16.694 -4.606 13.499 1.00 0.00 C ATOM 452 C LEU A 29 -17.504 -4.123 14.697 1.00 0.00 C ATOM 453 O LEU A 29 -17.013 -3.351 15.516 1.00 0.00 O ATOM 454 CB LEU A 29 -17.152 -3.868 12.231 1.00 0.00 C ATOM 455 CG LEU A 29 -16.022 -3.868 11.199 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.684 -5.307 10.812 1.00 0.00 C ATOM 457 CD2 LEU A 29 -16.469 -3.096 9.959 1.00 0.00 C ATOM 0 H LEU A 29 -17.660 -6.314 12.740 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.640 -4.396 13.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.036 -4.352 11.816 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.434 -2.844 12.476 1.00 0.00 H new ATOM 0 HG LEU A 29 -15.139 -3.392 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.879 -5.307 10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.366 -5.857 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.565 -5.785 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.666 -3.094 9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.352 -3.572 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -16.709 -2.070 10.236 1.00 0.00 H new ATOM 469 N ASP A 30 -18.748 -4.578 14.784 1.00 0.00 N ATOM 470 CA ASP A 30 -19.621 -4.182 15.883 1.00 0.00 C ATOM 471 C ASP A 30 -19.039 -4.628 17.221 1.00 0.00 C ATOM 472 O ASP A 30 -19.251 -3.983 18.248 1.00 0.00 O ATOM 473 CB ASP A 30 -21.010 -4.789 15.697 1.00 0.00 C ATOM 474 CG ASP A 30 -21.997 -4.141 16.664 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.549 -3.583 17.652 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.187 -4.212 16.401 1.00 0.00 O ATOM 0 H ASP A 30 -19.173 -5.217 14.112 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.701 -3.095 15.881 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.345 -4.643 14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.972 -5.865 15.870 1.00 0.00 H new ATOM 481 N GLN A 31 -18.318 -5.742 17.203 1.00 0.00 N ATOM 482 CA GLN A 31 -17.723 -6.272 18.422 1.00 0.00 C ATOM 483 C GLN A 31 -16.711 -5.283 19.000 1.00 0.00 C ATOM 484 O GLN A 31 -16.591 -5.146 20.216 1.00 0.00 O ATOM 485 CB GLN A 31 -17.031 -7.608 18.125 1.00 0.00 C ATOM 486 CG GLN A 31 -15.754 -7.354 17.299 1.00 0.00 C ATOM 487 CD GLN A 31 -14.552 -7.197 18.220 1.00 0.00 C ATOM 488 OE1 GLN A 31 -14.717 -6.983 19.418 1.00 0.00 O ATOM 489 NE2 GLN A 31 -13.350 -7.313 17.735 1.00 0.00 N ATOM 0 H GLN A 31 -18.132 -6.292 16.364 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.514 -6.429 19.155 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -16.779 -8.114 19.057 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.706 -8.265 17.577 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.587 -8.182 16.610 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.877 -6.456 16.694 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.217 -7.491 16.739 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.541 -7.226 18.350 1.00 0.00 H new ATOM 498 N LEU A 32 -15.983 -4.601 18.121 1.00 0.00 N ATOM 499 CA LEU A 32 -14.984 -3.638 18.556 1.00 0.00 C ATOM 500 C LEU A 32 -15.637 -2.528 19.360 1.00 0.00 C ATOM 501 O LEU A 32 -15.129 -2.131 20.408 1.00 0.00 O ATOM 502 CB LEU A 32 -14.272 -3.044 17.337 1.00 0.00 C ATOM 503 CG LEU A 32 -13.370 -4.109 16.696 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.883 -3.610 15.335 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.159 -4.394 17.608 1.00 0.00 C ATOM 0 H LEU A 32 -16.067 -4.698 17.109 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.256 -4.148 19.187 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.005 -2.690 16.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.677 -2.181 17.636 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.939 -5.029 16.565 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.243 -4.365 14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.740 -3.422 14.688 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.319 -2.687 15.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.525 -5.150 17.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.586 -3.477 17.749 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.509 -4.756 18.575 1.00 0.00 H new ATOM 517 N ASP A 33 -16.778 -2.052 18.880 1.00 0.00 N ATOM 518 CA ASP A 33 -17.512 -1.005 19.582 1.00 0.00 C ATOM 519 C ASP A 33 -17.968 -1.509 20.950 1.00 0.00 C ATOM 520 O ASP A 33 -17.876 -0.796 21.949 1.00 0.00 O ATOM 521 CB ASP A 33 -18.723 -0.572 18.759 1.00 0.00 C ATOM 522 CG ASP A 33 -19.358 0.667 19.379 1.00 0.00 C ATOM 523 OD1 ASP A 33 -18.699 1.694 19.413 1.00 0.00 O ATOM 524 OD2 ASP A 33 -20.494 0.571 19.814 1.00 0.00 O ATOM 0 H ASP A 33 -17.214 -2.370 18.014 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.852 -0.149 19.722 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.420 -0.361 17.734 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.452 -1.381 18.716 1.00 0.00 H new ATOM 529 N LEU A 34 -18.456 -2.747 20.986 1.00 0.00 N ATOM 530 CA LEU A 34 -18.912 -3.342 22.238 1.00 0.00 C ATOM 531 C LEU A 34 -17.747 -3.526 23.196 1.00 0.00 C ATOM 532 O LEU A 34 -17.861 -3.235 24.391 1.00 0.00 O ATOM 533 CB LEU A 34 -19.569 -4.698 21.962 1.00 0.00 C ATOM 534 CG LEU A 34 -20.873 -4.487 21.180 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.419 -5.842 20.726 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.913 -3.778 22.068 1.00 0.00 C ATOM 0 H LEU A 34 -18.545 -3.352 20.170 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.640 -2.672 22.695 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.890 -5.333 21.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.775 -5.212 22.901 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.671 -3.865 20.308 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.345 -5.694 20.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.687 -6.333 20.086 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.615 -6.466 21.598 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.834 -3.633 21.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.118 -4.389 22.947 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.524 -2.810 22.382 1.00 0.00 H new ATOM 548 N VAL A 35 -16.627 -4.007 22.665 1.00 0.00 N ATOM 549 CA VAL A 35 -15.441 -4.219 23.492 1.00 0.00 C ATOM 550 C VAL A 35 -14.948 -2.892 24.067 1.00 0.00 C ATOM 551 O VAL A 35 -14.285 -2.864 25.104 1.00 0.00 O ATOM 552 CB VAL A 35 -14.334 -4.869 22.657 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.008 -4.824 23.424 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.702 -6.328 22.376 1.00 0.00 C ATOM 0 H VAL A 35 -16.514 -4.254 21.682 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.704 -4.881 24.317 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.227 -4.325 21.718 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.225 -5.288 22.824 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.741 -3.787 23.629 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.113 -5.365 24.365 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.916 -6.794 21.782 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.810 -6.864 23.319 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.643 -6.367 21.827 1.00 0.00 H new ATOM 564 N HIS A 36 -15.262 -1.802 23.379 1.00 0.00 N ATOM 565 CA HIS A 36 -14.837 -0.481 23.826 1.00 0.00 C ATOM 566 C HIS A 36 -15.770 0.035 24.914 1.00 0.00 C ATOM 567 O HIS A 36 -15.331 0.677 25.867 1.00 0.00 O ATOM 568 CB HIS A 36 -14.832 0.494 22.646 1.00 0.00 C ATOM 569 CG HIS A 36 -14.224 1.799 23.077 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.865 1.942 23.306 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.777 3.030 23.328 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.647 3.218 23.676 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.780 3.924 23.705 1.00 0.00 N ATOM 0 H HIS A 36 -15.805 -1.805 22.516 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.829 -0.559 24.233 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.265 0.073 21.815 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.849 0.655 22.289 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.827 3.268 23.245 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.675 3.621 23.919 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.891 4.908 23.951 1.00 0.00 H new ATOM 581 N GLN A 37 -17.058 -0.259 24.767 1.00 0.00 N ATOM 582 CA GLN A 37 -18.047 0.177 25.751 1.00 0.00 C ATOM 583 C GLN A 37 -18.083 -0.789 26.930 1.00 0.00 C ATOM 584 O GLN A 37 -18.507 -0.427 28.029 1.00 0.00 O ATOM 585 CB GLN A 37 -19.431 0.243 25.103 1.00 0.00 C ATOM 586 CG GLN A 37 -19.421 1.279 23.976 1.00 0.00 C ATOM 587 CD GLN A 37 -19.215 2.675 24.552 1.00 0.00 C ATOM 588 OE1 GLN A 37 -19.946 3.090 25.451 1.00 0.00 O ATOM 589 NE2 GLN A 37 -18.257 3.428 24.088 1.00 0.00 N ATOM 0 H GLN A 37 -17.440 -0.791 23.985 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.767 1.167 26.111 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.706 -0.735 24.709 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.180 0.509 25.848 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.626 1.049 23.266 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.361 1.239 23.426 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -17.652 3.082 23.343 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -18.112 4.363 24.470 1.00 0.00 H new ATOM 598 N ALA A 38 -17.631 -2.019 26.698 1.00 0.00 N ATOM 599 CA ALA A 38 -17.613 -3.027 27.752 1.00 0.00 C ATOM 600 C ALA A 38 -16.509 -2.731 28.757 1.00 0.00 C ATOM 601 O ALA A 38 -15.544 -2.029 28.449 1.00 0.00 O ATOM 602 CB ALA A 38 -17.394 -4.414 27.143 1.00 0.00 C ATOM 0 H ALA A 38 -17.275 -2.339 25.797 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.573 -3.004 28.268 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.382 -5.162 27.936 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.202 -4.637 26.446 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.442 -4.432 26.612 1.00 0.00 H new ATOM 608 N LYS A 39 -16.656 -3.271 29.964 1.00 0.00 N ATOM 609 CA LYS A 39 -15.665 -3.060 31.006 1.00 0.00 C ATOM 610 C LYS A 39 -15.769 -4.144 32.074 1.00 0.00 C ATOM 611 O LYS A 39 -16.867 -4.567 32.437 1.00 0.00 O ATOM 612 CB LYS A 39 -15.863 -1.684 31.649 1.00 0.00 C ATOM 613 CG LYS A 39 -14.829 -1.469 32.766 1.00 0.00 C ATOM 614 CD LYS A 39 -13.415 -1.507 32.168 1.00 0.00 C ATOM 615 CE LYS A 39 -12.437 -0.837 33.127 1.00 0.00 C ATOM 616 NZ LYS A 39 -12.383 -1.609 34.400 1.00 0.00 N ATOM 0 H LYS A 39 -17.447 -3.853 30.240 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.675 -3.108 30.552 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.762 -0.904 30.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.871 -1.606 32.056 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.002 -0.512 33.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.934 -2.242 33.528 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.113 -2.539 31.987 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.403 -0.997 31.205 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.446 -0.788 32.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.749 0.189 33.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.569 -1.292 34.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.259 -1.453 34.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.283 -2.622 34.188 1.00 0.00 H new ATOM 630 N GLY A 40 -14.620 -4.574 32.590 1.00 0.00 N ATOM 631 CA GLY A 40 -14.594 -5.599 33.626 1.00 0.00 C ATOM 632 C GLY A 40 -14.842 -6.977 33.034 1.00 0.00 C ATOM 633 O GLY A 40 -14.214 -7.363 32.047 1.00 0.00 O ATOM 0 H GLY A 40 -13.702 -4.230 32.309 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.629 -5.585 34.133 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.352 -5.380 34.378 1.00 0.00 H new ATOM 637 N ARG A 41 -15.758 -7.719 33.640 1.00 0.00 N ATOM 638 CA ARG A 41 -16.077 -9.053 33.164 1.00 0.00 C ATOM 639 C ARG A 41 -16.744 -8.995 31.793 1.00 0.00 C ATOM 640 O ARG A 41 -16.773 -9.987 31.062 1.00 0.00 O ATOM 641 CB ARG A 41 -17.008 -9.753 34.158 1.00 0.00 C ATOM 642 CG ARG A 41 -17.329 -11.184 33.653 1.00 0.00 C ATOM 643 CD ARG A 41 -18.739 -11.218 33.061 1.00 0.00 C ATOM 644 NE ARG A 41 -19.730 -11.049 34.116 1.00 0.00 N ATOM 645 CZ ARG A 41 -21.024 -10.956 33.832 1.00 0.00 C ATOM 646 NH1 ARG A 41 -21.423 -11.013 32.591 1.00 0.00 N ATOM 647 NH2 ARG A 41 -21.895 -10.808 34.792 1.00 0.00 N ATOM 0 H ARG A 41 -16.290 -7.420 34.458 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.148 -9.616 33.076 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.538 -9.800 35.140 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.929 -9.182 34.273 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.601 -11.486 32.900 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -17.252 -11.896 34.475 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.849 -10.428 32.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.903 -12.165 32.546 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.425 -11.001 35.088 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.741 -11.129 31.841 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.416 -10.942 32.371 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.582 -10.764 35.762 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -22.889 -10.737 34.573 1.00 0.00 H new ATOM 661 N ASP A 42 -17.285 -7.832 31.456 1.00 0.00 N ATOM 662 CA ASP A 42 -17.955 -7.653 30.172 1.00 0.00 C ATOM 663 C ASP A 42 -16.960 -7.785 29.025 1.00 0.00 C ATOM 664 O ASP A 42 -17.292 -8.307 27.960 1.00 0.00 O ATOM 665 CB ASP A 42 -18.626 -6.279 30.122 1.00 0.00 C ATOM 666 CG ASP A 42 -19.866 -6.267 31.010 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.335 -7.339 31.358 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.331 -5.186 31.327 1.00 0.00 O ATOM 0 H ASP A 42 -17.274 -7.002 32.049 1.00 0.00 H new ATOM 0 HA ASP A 42 -18.713 -8.429 30.065 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.926 -5.512 30.452 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.902 -6.038 29.095 1.00 0.00 H new ATOM 673 N GLN A 43 -15.739 -7.309 29.249 1.00 0.00 N ATOM 674 CA GLN A 43 -14.703 -7.377 28.226 1.00 0.00 C ATOM 675 C GLN A 43 -14.323 -8.828 27.945 1.00 0.00 C ATOM 676 O GLN A 43 -14.046 -9.200 26.806 1.00 0.00 O ATOM 677 CB GLN A 43 -13.467 -6.602 28.681 1.00 0.00 C ATOM 678 CG GLN A 43 -13.769 -5.105 28.657 1.00 0.00 C ATOM 679 CD GLN A 43 -12.618 -4.329 29.290 1.00 0.00 C ATOM 680 OE1 GLN A 43 -12.336 -4.492 30.476 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.929 -3.491 28.564 1.00 0.00 N ATOM 0 H GLN A 43 -15.445 -6.875 30.124 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.093 -6.931 27.311 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.181 -6.910 29.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.624 -6.825 28.027 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.921 -4.773 27.630 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.694 -4.904 29.197 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.163 -3.356 27.580 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.156 -2.971 28.980 1.00 0.00 H new ATOM 690 N ILE A 44 -14.312 -9.641 28.991 1.00 0.00 N ATOM 691 CA ILE A 44 -13.965 -11.052 28.854 1.00 0.00 C ATOM 692 C ILE A 44 -15.009 -11.778 28.011 1.00 0.00 C ATOM 693 O ILE A 44 -14.670 -12.595 27.154 1.00 0.00 O ATOM 694 CB ILE A 44 -13.874 -11.710 30.231 1.00 0.00 C ATOM 695 CG1 ILE A 44 -12.885 -10.929 31.101 1.00 0.00 C ATOM 696 CG2 ILE A 44 -13.382 -13.152 30.076 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.925 -11.468 32.534 1.00 0.00 C ATOM 0 H ILE A 44 -14.538 -9.351 29.942 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.997 -11.120 28.358 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.857 -11.709 30.701 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.877 -11.020 30.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.137 -9.869 31.093 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.317 -13.622 31.057 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.081 -13.710 29.452 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.398 -13.152 29.608 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.221 -10.911 33.152 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.931 -11.354 32.938 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.652 -12.523 32.534 1.00 0.00 H new ATOM 709 N ALA A 45 -16.279 -11.480 28.266 1.00 0.00 N ATOM 710 CA ALA A 45 -17.363 -12.118 27.529 1.00 0.00 C ATOM 711 C ALA A 45 -17.170 -11.934 26.026 1.00 0.00 C ATOM 712 O ALA A 45 -17.415 -12.852 25.244 1.00 0.00 O ATOM 713 CB ALA A 45 -18.706 -11.510 27.948 1.00 0.00 C ATOM 0 H ALA A 45 -16.581 -10.807 28.971 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.356 -13.184 27.759 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.512 -11.991 27.394 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.858 -11.664 29.016 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.705 -10.442 27.732 1.00 0.00 H new ATOM 719 N ALA A 46 -16.719 -10.749 25.629 1.00 0.00 N ATOM 720 CA ALA A 46 -16.486 -10.462 24.222 1.00 0.00 C ATOM 721 C ALA A 46 -15.397 -11.372 23.668 1.00 0.00 C ATOM 722 O ALA A 46 -15.523 -11.909 22.571 1.00 0.00 O ATOM 723 CB ALA A 46 -16.071 -9.000 24.051 1.00 0.00 C ATOM 0 H ALA A 46 -16.509 -9.976 26.260 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.410 -10.642 23.672 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.898 -8.792 22.995 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.863 -8.351 24.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.155 -8.814 24.612 1.00 0.00 H new ATOM 729 N SER A 47 -14.326 -11.539 24.434 1.00 0.00 N ATOM 730 CA SER A 47 -13.220 -12.380 24.002 1.00 0.00 C ATOM 731 C SER A 47 -13.674 -13.827 23.837 1.00 0.00 C ATOM 732 O SER A 47 -13.187 -14.547 22.969 1.00 0.00 O ATOM 733 CB SER A 47 -12.080 -12.318 25.022 1.00 0.00 C ATOM 734 OG SER A 47 -12.501 -12.932 26.233 1.00 0.00 O ATOM 0 H SER A 47 -14.201 -11.107 25.349 1.00 0.00 H new ATOM 0 HA SER A 47 -12.868 -12.009 23.040 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.198 -12.825 24.631 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.796 -11.282 25.205 1.00 0.00 H new ATOM 0 HG SER A 47 -13.346 -12.532 26.526 1.00 0.00 H new ATOM 740 N PHE A 48 -14.598 -14.250 24.694 1.00 0.00 N ATOM 741 CA PHE A 48 -15.094 -15.621 24.648 1.00 0.00 C ATOM 742 C PHE A 48 -15.757 -15.908 23.306 1.00 0.00 C ATOM 743 O PHE A 48 -15.460 -16.913 22.659 1.00 0.00 O ATOM 744 CB PHE A 48 -16.107 -15.841 25.773 1.00 0.00 C ATOM 745 CG PHE A 48 -16.455 -17.310 25.856 1.00 0.00 C ATOM 746 CD1 PHE A 48 -15.479 -18.237 26.247 1.00 0.00 C ATOM 747 CD2 PHE A 48 -17.749 -17.748 25.546 1.00 0.00 C ATOM 748 CE1 PHE A 48 -15.797 -19.598 26.325 1.00 0.00 C ATOM 749 CE2 PHE A 48 -18.066 -19.108 25.623 1.00 0.00 C ATOM 750 CZ PHE A 48 -17.090 -20.033 26.013 1.00 0.00 C ATOM 0 H PHE A 48 -15.015 -13.670 25.422 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.250 -16.299 24.775 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.693 -15.500 26.722 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.006 -15.253 25.588 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.481 -17.901 26.488 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.503 -17.035 25.247 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.045 -20.312 26.626 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.063 -19.445 25.382 1.00 0.00 H new ATOM 0 HZ PHE A 48 -17.335 -21.083 26.073 1.00 0.00 H new ATOM 760 N GLU A 49 -16.645 -15.016 22.885 1.00 0.00 N ATOM 761 CA GLU A 49 -17.333 -15.180 21.610 1.00 0.00 C ATOM 762 C GLU A 49 -16.378 -14.959 20.444 1.00 0.00 C ATOM 763 O GLU A 49 -16.373 -15.722 19.478 1.00 0.00 O ATOM 764 CB GLU A 49 -18.500 -14.192 21.516 1.00 0.00 C ATOM 765 CG GLU A 49 -19.646 -14.664 22.409 1.00 0.00 C ATOM 766 CD GLU A 49 -20.753 -13.615 22.438 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.616 -12.621 21.745 1.00 0.00 O ATOM 768 OE2 GLU A 49 -21.720 -13.821 23.151 1.00 0.00 O ATOM 0 H GLU A 49 -16.905 -14.177 23.403 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.714 -16.200 21.556 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.173 -13.198 21.822 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.840 -14.112 20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.040 -15.610 22.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.279 -14.845 23.419 1.00 0.00 H new ATOM 775 N LEU A 50 -15.578 -13.905 20.537 1.00 0.00 N ATOM 776 CA LEU A 50 -14.631 -13.582 19.482 1.00 0.00 C ATOM 777 C LEU A 50 -13.631 -14.711 19.296 1.00 0.00 C ATOM 778 O LEU A 50 -13.258 -15.041 18.176 1.00 0.00 O ATOM 779 CB LEU A 50 -13.887 -12.290 19.820 1.00 0.00 C ATOM 780 CG LEU A 50 -14.861 -11.105 19.753 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.181 -9.850 20.312 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.291 -10.858 18.293 1.00 0.00 C ATOM 0 H LEU A 50 -15.567 -13.263 21.329 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.187 -13.447 18.554 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.450 -12.359 20.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.064 -12.138 19.121 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.745 -11.334 20.349 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.873 -9.009 20.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.892 -10.024 21.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.293 -9.623 19.721 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.982 -10.016 18.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.412 -10.635 17.688 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.783 -11.749 17.903 1.00 0.00 H new ATOM 794 N ASN A 51 -13.189 -15.291 20.401 1.00 0.00 N ATOM 795 CA ASN A 51 -12.215 -16.374 20.337 1.00 0.00 C ATOM 796 C ASN A 51 -12.700 -17.476 19.404 1.00 0.00 C ATOM 797 O ASN A 51 -11.981 -17.889 18.497 1.00 0.00 O ATOM 798 CB ASN A 51 -12.000 -16.954 21.742 1.00 0.00 C ATOM 799 CG ASN A 51 -11.095 -16.037 22.557 1.00 0.00 C ATOM 800 OD1 ASN A 51 -10.426 -15.168 22.001 1.00 0.00 O ATOM 801 ND2 ASN A 51 -11.032 -16.180 23.852 1.00 0.00 N ATOM 0 H ASN A 51 -13.484 -15.035 21.343 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.276 -15.976 19.952 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.959 -17.071 22.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.554 -17.946 21.670 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.428 -15.571 24.404 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.587 -16.901 24.313 1.00 0.00 H new ATOM 808 N LYS A 52 -13.921 -17.945 19.628 1.00 0.00 N ATOM 809 CA LYS A 52 -14.483 -18.995 18.792 1.00 0.00 C ATOM 810 C LYS A 52 -14.701 -18.501 17.367 1.00 0.00 C ATOM 811 O LYS A 52 -14.371 -19.191 16.403 1.00 0.00 O ATOM 812 CB LYS A 52 -15.812 -19.467 19.372 1.00 0.00 C ATOM 813 CG LYS A 52 -15.561 -20.223 20.680 1.00 0.00 C ATOM 814 CD LYS A 52 -16.893 -20.755 21.239 1.00 0.00 C ATOM 815 CE LYS A 52 -17.574 -19.669 22.076 1.00 0.00 C ATOM 816 NZ LYS A 52 -16.770 -19.420 23.304 1.00 0.00 N ATOM 0 H LYS A 52 -14.535 -17.618 20.374 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.776 -19.824 18.770 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.465 -18.613 19.553 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.323 -20.114 18.658 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.873 -21.050 20.506 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.089 -19.563 21.407 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.546 -21.059 20.421 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.714 -21.640 21.850 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.667 -18.751 21.496 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.584 -19.980 22.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.407 -19.284 24.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.150 -20.235 23.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.190 -18.567 23.172 1.00 0.00 H new ATOM 830 N LYS A 53 -15.278 -17.308 17.243 1.00 0.00 N ATOM 831 CA LYS A 53 -15.557 -16.745 15.928 1.00 0.00 C ATOM 832 C LYS A 53 -14.266 -16.543 15.145 1.00 0.00 C ATOM 833 O LYS A 53 -14.171 -16.935 13.984 1.00 0.00 O ATOM 834 CB LYS A 53 -16.274 -15.399 16.086 1.00 0.00 C ATOM 835 CG LYS A 53 -17.675 -15.624 16.647 1.00 0.00 C ATOM 836 CD LYS A 53 -18.331 -14.272 16.938 1.00 0.00 C ATOM 837 CE LYS A 53 -19.663 -14.495 17.651 1.00 0.00 C ATOM 838 NZ LYS A 53 -20.634 -15.131 16.716 1.00 0.00 N ATOM 0 H LYS A 53 -15.558 -16.720 18.028 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.193 -17.440 15.381 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.706 -14.749 16.752 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.335 -14.893 15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.278 -16.187 15.934 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.622 -16.218 17.559 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.673 -13.662 17.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.491 -13.726 16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.517 -15.129 18.525 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.058 -13.544 18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.588 -15.097 17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.631 -14.619 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.362 -16.122 16.554 1.00 0.00 H new ATOM 852 N ILE A 54 -13.275 -15.939 15.787 1.00 0.00 N ATOM 853 CA ILE A 54 -11.995 -15.691 15.139 1.00 0.00 C ATOM 854 C ILE A 54 -11.297 -17.009 14.820 1.00 0.00 C ATOM 855 O ILE A 54 -10.757 -17.188 13.729 1.00 0.00 O ATOM 856 CB ILE A 54 -11.103 -14.842 16.049 1.00 0.00 C ATOM 857 CG1 ILE A 54 -11.716 -13.446 16.202 1.00 0.00 C ATOM 858 CG2 ILE A 54 -9.703 -14.718 15.429 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.983 -12.686 17.309 1.00 0.00 C ATOM 0 H ILE A 54 -13.333 -15.613 16.752 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.176 -15.153 14.208 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.025 -15.318 17.027 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.643 -12.900 15.261 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.776 -13.527 16.442 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.070 -14.113 16.078 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.266 -15.710 15.317 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.779 -14.242 14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.419 -11.693 17.418 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.079 -13.230 18.249 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.928 -12.593 17.050 1.00 0.00 H new ATOM 871 N ASN A 55 -11.319 -17.928 15.775 1.00 0.00 N ATOM 872 CA ASN A 55 -10.694 -19.229 15.585 1.00 0.00 C ATOM 873 C ASN A 55 -11.374 -19.983 14.445 1.00 0.00 C ATOM 874 O ASN A 55 -10.719 -20.686 13.675 1.00 0.00 O ATOM 875 CB ASN A 55 -10.779 -20.051 16.877 1.00 0.00 C ATOM 876 CG ASN A 55 -9.699 -19.602 17.855 1.00 0.00 C ATOM 877 OD1 ASN A 55 -10.006 -19.111 18.941 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.443 -19.744 17.531 1.00 0.00 N ATOM 0 H ASN A 55 -11.761 -17.798 16.685 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.645 -19.075 15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.763 -19.931 17.330 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.659 -21.111 16.652 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.713 -19.448 18.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.192 -20.151 16.630 1.00 0.00 H new ATOM 885 N ASP A 56 -12.693 -19.853 14.364 1.00 0.00 N ATOM 886 CA ASP A 56 -13.456 -20.548 13.334 1.00 0.00 C ATOM 887 C ASP A 56 -12.961 -20.152 11.948 1.00 0.00 C ATOM 888 O ASP A 56 -12.741 -21.008 11.091 1.00 0.00 O ATOM 889 CB ASP A 56 -14.941 -20.197 13.460 1.00 0.00 C ATOM 890 CG ASP A 56 -15.742 -20.933 12.393 1.00 0.00 C ATOM 891 OD1 ASP A 56 -15.129 -21.577 11.558 1.00 0.00 O ATOM 892 OD2 ASP A 56 -16.959 -20.845 12.428 1.00 0.00 O ATOM 0 H ASP A 56 -13.253 -19.278 14.993 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.321 -21.621 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.305 -20.468 14.451 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.079 -19.121 13.353 1.00 0.00 H new ATOM 897 N TYR A 57 -12.784 -18.855 11.736 1.00 0.00 N ATOM 898 CA TYR A 57 -12.310 -18.362 10.449 1.00 0.00 C ATOM 899 C TYR A 57 -10.949 -18.958 10.114 1.00 0.00 C ATOM 900 O TYR A 57 -10.689 -19.330 8.968 1.00 0.00 O ATOM 901 CB TYR A 57 -12.209 -16.832 10.479 1.00 0.00 C ATOM 902 CG TYR A 57 -13.593 -16.230 10.379 1.00 0.00 C ATOM 903 CD1 TYR A 57 -14.337 -16.388 9.202 1.00 0.00 C ATOM 904 CD2 TYR A 57 -14.131 -15.516 11.455 1.00 0.00 C ATOM 905 CE1 TYR A 57 -15.618 -15.835 9.105 1.00 0.00 C ATOM 906 CE2 TYR A 57 -15.411 -14.962 11.358 1.00 0.00 C ATOM 907 CZ TYR A 57 -16.155 -15.120 10.182 1.00 0.00 C ATOM 908 OH TYR A 57 -17.417 -14.573 10.087 1.00 0.00 O ATOM 0 H TYR A 57 -12.960 -18.130 12.432 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.023 -18.663 9.682 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.726 -16.507 11.401 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.589 -16.482 9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.921 -16.937 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.557 -15.393 12.361 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.193 -15.960 8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.826 -14.412 12.190 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.637 -14.111 10.923 1.00 0.00 H new ATOM 918 N ILE A 58 -10.080 -19.039 11.113 1.00 0.00 N ATOM 919 CA ILE A 58 -8.745 -19.585 10.904 1.00 0.00 C ATOM 920 C ILE A 58 -8.831 -21.047 10.479 1.00 0.00 C ATOM 921 O ILE A 58 -8.137 -21.478 9.559 1.00 0.00 O ATOM 922 CB ILE A 58 -7.933 -19.476 12.195 1.00 0.00 C ATOM 923 CG1 ILE A 58 -7.680 -17.999 12.515 1.00 0.00 C ATOM 924 CG2 ILE A 58 -6.589 -20.192 12.023 1.00 0.00 C ATOM 925 CD1 ILE A 58 -7.065 -17.866 13.915 1.00 0.00 C ATOM 0 H ILE A 58 -10.273 -18.737 12.068 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.254 -19.015 10.115 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.490 -19.939 13.010 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.011 -17.566 11.772 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.615 -17.442 12.465 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.013 -20.112 12.945 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.763 -21.243 11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.033 -19.731 11.207 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.888 -16.813 14.136 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.750 -18.282 14.654 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.120 -18.408 13.950 1.00 0.00 H new ATOM 937 N ALA A 59 -9.683 -21.808 11.159 1.00 0.00 N ATOM 938 CA ALA A 59 -9.848 -23.221 10.843 1.00 0.00 C ATOM 939 C ALA A 59 -10.418 -23.394 9.440 1.00 0.00 C ATOM 940 O ALA A 59 -10.030 -24.303 8.707 1.00 0.00 O ATOM 941 CB ALA A 59 -10.780 -23.879 11.861 1.00 0.00 C ATOM 0 H ALA A 59 -10.265 -21.473 11.926 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.870 -23.700 10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.898 -24.935 11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.354 -23.782 12.860 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.753 -23.389 11.833 1.00 0.00 H new ATOM 947 N GLU A 60 -11.351 -22.520 9.079 1.00 0.00 N ATOM 948 CA GLU A 60 -11.974 -22.580 7.762 1.00 0.00 C ATOM 949 C GLU A 60 -11.016 -22.087 6.688 1.00 0.00 C ATOM 950 O GLU A 60 -10.960 -22.641 5.591 1.00 0.00 O ATOM 951 CB GLU A 60 -13.246 -21.730 7.747 1.00 0.00 C ATOM 952 CG GLU A 60 -14.292 -22.353 8.672 1.00 0.00 C ATOM 953 CD GLU A 60 -14.763 -23.688 8.105 1.00 0.00 C ATOM 954 OE1 GLU A 60 -15.139 -23.717 6.945 1.00 0.00 O ATOM 955 OE2 GLU A 60 -14.740 -24.664 8.839 1.00 0.00 O ATOM 0 H GLU A 60 -11.691 -21.766 9.676 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.228 -23.619 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.020 -20.714 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.638 -21.662 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.869 -22.500 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.140 -21.677 8.783 1.00 0.00 H new ATOM 962 N HIS A 61 -10.269 -21.032 7.005 1.00 0.00 N ATOM 963 CA HIS A 61 -9.318 -20.455 6.055 1.00 0.00 C ATOM 964 C HIS A 61 -7.980 -20.183 6.734 1.00 0.00 C ATOM 965 O HIS A 61 -7.568 -19.032 6.875 1.00 0.00 O ATOM 966 CB HIS A 61 -9.878 -19.157 5.482 1.00 0.00 C ATOM 967 CG HIS A 61 -11.277 -19.393 4.982 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.579 -20.392 4.068 1.00 0.00 N ATOM 969 CD2 HIS A 61 -12.467 -18.769 5.259 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.902 -20.338 3.830 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.492 -19.366 4.531 1.00 0.00 N ATOM 0 H HIS A 61 -10.303 -20.560 7.909 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.161 -21.169 5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.880 -18.380 6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.245 -18.803 4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.590 -17.939 5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.424 -21.000 3.154 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.481 -19.115 4.532 1.00 0.00 H new ATOM 979 N PRO A 62 -7.303 -21.218 7.158 1.00 0.00 N ATOM 980 CA PRO A 62 -5.980 -21.093 7.838 1.00 0.00 C ATOM 981 C PRO A 62 -4.880 -20.663 6.871 1.00 0.00 C ATOM 982 O PRO A 62 -3.829 -20.180 7.288 1.00 0.00 O ATOM 983 CB PRO A 62 -5.717 -22.505 8.391 1.00 0.00 C ATOM 984 CG PRO A 62 -6.519 -23.424 7.522 1.00 0.00 C ATOM 985 CD PRO A 62 -7.728 -22.623 7.034 1.00 0.00 C ATOM 0 HA PRO A 62 -5.986 -20.328 8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.656 -22.752 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.023 -22.583 9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.924 -23.778 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.838 -24.304 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.982 -22.873 6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.612 -22.827 7.639 1.00 0.00 H new ATOM 993 N THR A 63 -5.124 -20.859 5.581 1.00 0.00 N ATOM 994 CA THR A 63 -4.141 -20.500 4.563 1.00 0.00 C ATOM 995 C THR A 63 -4.279 -19.030 4.189 1.00 0.00 C ATOM 996 O THR A 63 -3.342 -18.420 3.675 1.00 0.00 O ATOM 997 CB THR A 63 -4.338 -21.371 3.315 1.00 0.00 C ATOM 998 OG1 THR A 63 -3.886 -20.660 2.171 1.00 0.00 O ATOM 999 CG2 THR A 63 -5.820 -21.711 3.153 1.00 0.00 C ATOM 0 H THR A 63 -5.987 -21.261 5.216 1.00 0.00 H new ATOM 0 HA THR A 63 -3.143 -20.670 4.967 1.00 0.00 H new ATOM 0 HB THR A 63 -3.768 -22.294 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.009 -21.214 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.957 -22.330 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.167 -22.255 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.395 -20.791 3.046 1.00 0.00 H new ATOM 1007 N SER A 64 -5.456 -18.467 4.446 1.00 0.00 N ATOM 1008 CA SER A 64 -5.705 -17.065 4.127 1.00 0.00 C ATOM 1009 C SER A 64 -4.786 -16.163 4.943 1.00 0.00 C ATOM 1010 O SER A 64 -4.474 -16.457 6.096 1.00 0.00 O ATOM 1011 CB SER A 64 -7.164 -16.715 4.426 1.00 0.00 C ATOM 1012 OG SER A 64 -7.995 -17.272 3.417 1.00 0.00 O ATOM 0 H SER A 64 -6.245 -18.954 4.870 1.00 0.00 H new ATOM 0 HA SER A 64 -5.504 -16.908 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.450 -17.102 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.291 -15.633 4.462 1.00 0.00 H new ATOM 0 HG SER A 64 -8.905 -16.922 3.513 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.353 -15.063 4.333 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.468 -14.121 5.011 1.00 0.00 C ATOM 1020 C GLY A 65 -4.269 -13.071 5.770 1.00 0.00 C ATOM 1021 O GLY A 65 -3.752 -12.405 6.658 1.00 0.00 O ATOM 0 H GLY A 65 -4.598 -14.803 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.819 -14.659 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.822 -13.633 4.281 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.534 -12.920 5.407 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.398 -11.943 6.060 1.00 0.00 C ATOM 1027 C ARG A 66 -6.651 -12.331 7.510 1.00 0.00 C ATOM 1028 O ARG A 66 -6.745 -11.470 8.384 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.733 -11.837 5.311 1.00 0.00 C ATOM 1030 CG ARG A 66 -7.545 -11.014 4.031 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.585 -11.737 3.083 1.00 0.00 C ATOM 1032 NE ARG A 66 -6.951 -13.149 2.981 1.00 0.00 N ATOM 1033 CZ ARG A 66 -7.865 -13.561 2.109 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -8.453 -12.697 1.327 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -8.177 -14.824 2.038 1.00 0.00 N ATOM 0 H ARG A 66 -5.985 -13.458 4.667 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.896 -10.976 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.102 -12.832 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.482 -11.369 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.507 -10.862 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.153 -10.027 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.616 -11.273 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.562 -11.643 3.447 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.497 -13.830 3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.211 -11.708 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.155 -13.011 0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.719 -15.498 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.879 -15.139 1.368 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.788 -13.629 7.751 1.00 0.00 N ATOM 1050 CA ASN A 67 -7.056 -14.120 9.096 1.00 0.00 C ATOM 1051 C ASN A 67 -5.886 -13.814 10.024 1.00 0.00 C ATOM 1052 O ASN A 67 -6.035 -13.820 11.246 1.00 0.00 O ATOM 1053 CB ASN A 67 -7.299 -15.630 9.060 1.00 0.00 C ATOM 1054 CG ASN A 67 -6.070 -16.342 8.505 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -5.022 -15.725 8.327 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -6.138 -17.615 8.221 1.00 0.00 N ATOM 0 H ASN A 67 -6.719 -14.355 7.038 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.945 -13.616 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.519 -15.995 10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.169 -15.852 8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.320 -18.099 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.009 -18.125 8.370 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.725 -13.547 9.438 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.535 -13.245 10.226 1.00 0.00 C ATOM 1065 C GLN A 68 -3.766 -12.009 11.089 1.00 0.00 C ATOM 1066 O GLN A 68 -3.388 -11.981 12.258 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.343 -13.003 9.298 1.00 0.00 C ATOM 1068 CG GLN A 68 -2.049 -14.276 8.503 1.00 0.00 C ATOM 1069 CD GLN A 68 -1.544 -15.370 9.436 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -0.621 -15.142 10.217 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -2.096 -16.553 9.402 1.00 0.00 N ATOM 0 H GLN A 68 -4.582 -13.533 8.428 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.325 -14.095 10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.559 -12.179 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.468 -12.715 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.951 -14.611 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.304 -14.070 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.861 -16.740 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.762 -17.290 10.024 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.391 -10.992 10.506 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.670 -9.759 11.235 1.00 0.00 C ATOM 1082 C ALA A 69 -5.847 -9.956 12.184 1.00 0.00 C ATOM 1083 O ALA A 69 -5.931 -9.312 13.227 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.982 -8.630 10.253 1.00 0.00 C ATOM 0 H ALA A 69 -4.712 -10.996 9.538 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.788 -9.494 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.189 -7.714 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.126 -8.472 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.853 -8.898 9.656 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.760 -10.841 11.810 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.927 -11.112 12.633 1.00 0.00 C ATOM 1092 C LEU A 70 -7.526 -11.838 13.916 1.00 0.00 C ATOM 1093 O LEU A 70 -8.077 -11.590 14.982 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.936 -11.961 11.856 1.00 0.00 C ATOM 1095 CG LEU A 70 -10.241 -12.077 12.654 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.956 -10.716 12.701 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -11.151 -13.116 11.995 1.00 0.00 C ATOM 0 H LEU A 70 -6.715 -11.381 10.946 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.386 -10.159 12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.133 -11.510 10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.524 -12.953 11.670 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.010 -12.389 13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.881 -10.810 13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.309 -9.981 13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.186 -10.390 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.078 -13.199 12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.376 -12.807 10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.648 -14.083 11.979 1.00 0.00 H new ATOM 1109 N THR A 71 -6.577 -12.757 13.792 1.00 0.00 N ATOM 1110 CA THR A 71 -6.120 -13.532 14.939 1.00 0.00 C ATOM 1111 C THR A 71 -5.448 -12.628 15.963 1.00 0.00 C ATOM 1112 O THR A 71 -5.325 -12.980 17.130 1.00 0.00 O ATOM 1113 CB THR A 71 -5.136 -14.611 14.481 1.00 0.00 C ATOM 1114 OG1 THR A 71 -5.709 -15.347 13.410 1.00 0.00 O ATOM 1115 CG2 THR A 71 -4.833 -15.556 15.647 1.00 0.00 C ATOM 0 H THR A 71 -6.111 -12.983 12.914 1.00 0.00 H new ATOM 0 HA THR A 71 -6.986 -14.004 15.403 1.00 0.00 H new ATOM 0 HB THR A 71 -4.211 -14.142 14.147 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.517 -14.894 12.562 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.132 -16.324 15.320 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.394 -14.991 16.469 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.757 -16.027 15.983 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.998 -11.467 15.513 1.00 0.00 N ATOM 1124 CA GLN A 72 -4.330 -10.525 16.400 1.00 0.00 C ATOM 1125 C GLN A 72 -5.318 -9.880 17.365 1.00 0.00 C ATOM 1126 O GLN A 72 -4.933 -9.363 18.413 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.636 -9.445 15.577 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.435 -10.045 14.842 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.770 -8.988 13.965 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -1.498 -7.879 14.424 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -1.488 -9.268 12.722 1.00 0.00 N ATOM 0 H GLN A 72 -5.082 -11.155 14.546 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.592 -11.074 16.984 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.336 -9.016 14.860 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.308 -8.634 16.227 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.716 -10.434 15.563 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.758 -10.886 14.228 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.714 -10.187 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.042 -8.567 12.130 1.00 0.00 H new ATOM 1140 N LEU A 73 -6.590 -9.874 16.985 1.00 0.00 N ATOM 1141 CA LEU A 73 -7.613 -9.247 17.814 1.00 0.00 C ATOM 1142 C LEU A 73 -7.697 -9.909 19.175 1.00 0.00 C ATOM 1143 O LEU A 73 -7.708 -9.226 20.198 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.979 -9.356 17.105 1.00 0.00 C ATOM 1145 CG LEU A 73 -9.098 -8.262 16.038 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.254 -6.884 16.710 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -7.844 -8.266 15.148 1.00 0.00 C ATOM 0 H LEU A 73 -6.935 -10.290 16.120 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.346 -8.200 17.959 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.083 -10.339 16.645 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.785 -9.257 17.832 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.977 -8.459 15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.338 -6.113 15.944 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.152 -6.880 17.328 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.383 -6.683 17.334 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.933 -7.487 14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.962 -8.078 15.761 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.747 -9.236 14.661 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.749 -11.228 19.184 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.825 -11.968 20.432 1.00 0.00 C ATOM 1161 C LYS A 74 -6.565 -11.752 21.265 1.00 0.00 C ATOM 1162 O LYS A 74 -6.619 -11.723 22.495 1.00 0.00 O ATOM 1163 CB LYS A 74 -8.012 -13.459 20.149 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.041 -13.895 19.054 1.00 0.00 C ATOM 1165 CD LYS A 74 -6.960 -15.420 19.016 1.00 0.00 C ATOM 1166 CE LYS A 74 -8.336 -15.997 18.688 1.00 0.00 C ATOM 1167 NZ LYS A 74 -8.190 -17.414 18.258 1.00 0.00 N ATOM 0 H LYS A 74 -7.740 -11.808 18.345 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.682 -11.600 20.997 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.837 -14.037 21.056 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.038 -13.655 19.839 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.372 -13.515 18.088 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.053 -13.473 19.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.233 -15.737 18.268 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.615 -15.800 19.977 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.985 -15.936 19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.808 -15.413 17.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.586 -17.530 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.183 -17.672 18.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.699 -18.032 18.921 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.430 -11.618 20.588 1.00 0.00 N ATOM 1182 CA GLU A 75 -4.162 -11.423 21.277 1.00 0.00 C ATOM 1183 C GLU A 75 -4.163 -10.108 22.045 1.00 0.00 C ATOM 1184 O GLU A 75 -3.785 -10.064 23.214 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.014 -11.422 20.262 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.840 -12.824 19.673 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.350 -13.785 20.751 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.795 -13.313 21.728 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.542 -14.979 20.585 1.00 0.00 O ATOM 0 H GLU A 75 -5.363 -11.641 19.570 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.025 -12.241 21.984 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.221 -10.707 19.466 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.090 -11.103 20.745 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.787 -13.176 19.264 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.128 -12.795 18.849 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.587 -9.041 21.379 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.628 -7.729 22.012 1.00 0.00 C ATOM 1198 C GLN A 76 -5.639 -7.712 23.154 1.00 0.00 C ATOM 1199 O GLN A 76 -5.366 -7.177 24.228 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.002 -6.663 20.979 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.775 -5.271 21.574 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.281 -5.012 21.738 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.814 -4.754 22.847 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.501 -5.066 20.693 1.00 0.00 N ATOM 0 H GLN A 76 -4.905 -9.057 20.410 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.640 -7.512 22.417 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.400 -6.787 20.079 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.045 -6.778 20.684 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.215 -4.513 20.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.274 -5.193 22.540 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.892 -5.280 19.775 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.501 -4.894 20.794 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.808 -8.296 22.911 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.853 -8.337 23.925 1.00 0.00 C ATOM 1215 C VAL A 77 -7.371 -9.088 25.162 1.00 0.00 C ATOM 1216 O VAL A 77 -7.560 -8.632 26.289 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.101 -9.020 23.360 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -10.136 -9.201 24.474 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.696 -8.155 22.245 1.00 0.00 C ATOM 0 H VAL A 77 -7.053 -8.744 22.028 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.098 -7.314 24.211 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.829 -9.996 22.957 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.024 -9.687 24.070 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.713 -9.818 25.267 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.409 -8.227 24.879 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.585 -8.641 21.842 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.967 -7.179 22.647 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.960 -8.029 21.451 1.00 0.00 H new ATOM 1229 N THR A 78 -6.751 -10.242 24.943 1.00 0.00 N ATOM 1230 CA THR A 78 -6.252 -11.048 26.049 1.00 0.00 C ATOM 1231 C THR A 78 -5.252 -10.254 26.882 1.00 0.00 C ATOM 1232 O THR A 78 -5.253 -10.330 28.108 1.00 0.00 O ATOM 1233 CB THR A 78 -5.579 -12.313 25.505 1.00 0.00 C ATOM 1234 OG1 THR A 78 -4.706 -11.963 24.440 1.00 0.00 O ATOM 1235 CG2 THR A 78 -6.642 -13.290 25.000 1.00 0.00 C ATOM 0 H THR A 78 -6.583 -10.637 24.018 1.00 0.00 H new ATOM 0 HA THR A 78 -7.093 -11.326 26.684 1.00 0.00 H new ATOM 0 HB THR A 78 -5.008 -12.789 26.302 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.706 -10.990 24.323 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.158 -14.187 24.615 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.307 -13.560 25.820 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.220 -12.820 24.205 1.00 0.00 H new ATOM 1243 N SER A 79 -4.401 -9.492 26.208 1.00 0.00 N ATOM 1244 CA SER A 79 -3.401 -8.688 26.899 1.00 0.00 C ATOM 1245 C SER A 79 -4.071 -7.636 27.777 1.00 0.00 C ATOM 1246 O SER A 79 -3.648 -7.397 28.908 1.00 0.00 O ATOM 1247 CB SER A 79 -2.489 -8.002 25.881 1.00 0.00 C ATOM 1248 OG SER A 79 -1.492 -7.258 26.570 1.00 0.00 O ATOM 0 H SER A 79 -4.382 -9.413 25.191 1.00 0.00 H new ATOM 0 HA SER A 79 -2.807 -9.347 27.533 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.023 -8.745 25.234 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.073 -7.342 25.239 1.00 0.00 H new ATOM 0 HG SER A 79 -0.905 -6.818 25.920 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.117 -7.010 27.247 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.838 -5.987 27.992 1.00 0.00 C ATOM 1256 C ALA A 80 -6.444 -6.573 29.261 1.00 0.00 C ATOM 1257 O ALA A 80 -6.427 -5.939 30.318 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.943 -5.386 27.121 1.00 0.00 C ATOM 0 H ALA A 80 -5.481 -7.192 26.312 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.133 -5.204 28.272 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.477 -4.622 27.686 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.501 -4.937 26.231 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.639 -6.170 26.824 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.987 -7.779 29.149 1.00 0.00 N ATOM 1265 CA LEU A 81 -7.603 -8.435 30.296 1.00 0.00 C ATOM 1266 C LEU A 81 -6.558 -8.774 31.348 1.00 0.00 C ATOM 1267 O LEU A 81 -6.837 -8.741 32.546 1.00 0.00 O ATOM 1268 CB LEU A 81 -8.303 -9.717 29.842 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.443 -9.363 28.882 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -9.992 -10.647 28.249 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -10.572 -8.645 29.644 1.00 0.00 C ATOM 0 H LEU A 81 -7.014 -8.319 28.284 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.331 -7.752 30.734 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.590 -10.378 29.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.694 -10.256 30.705 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.062 -8.702 28.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.803 -10.397 27.565 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.197 -11.151 27.700 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.367 -11.307 29.031 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.378 -8.398 28.953 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.955 -9.298 30.428 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.184 -7.730 30.092 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.347 -9.078 30.895 1.00 0.00 N ATOM 1284 CA GLY A 82 -4.263 -9.402 31.814 1.00 0.00 C ATOM 1285 C GLY A 82 -4.363 -10.844 32.298 1.00 0.00 C ATOM 1286 O GLY A 82 -4.393 -11.103 33.502 1.00 0.00 O ATOM 0 H GLY A 82 -5.093 -9.107 29.908 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.304 -9.248 31.319 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.293 -8.726 32.668 1.00 0.00 H new ATOM 1290 N LEU A 83 -4.414 -11.778 31.359 1.00 0.00 N ATOM 1291 CA LEU A 83 -4.510 -13.191 31.707 1.00 0.00 C ATOM 1292 C LEU A 83 -3.258 -13.641 32.445 1.00 0.00 C ATOM 1293 O LEU A 83 -3.333 -14.450 33.368 1.00 0.00 O ATOM 1294 CB LEU A 83 -4.700 -14.035 30.435 1.00 0.00 C ATOM 1295 CG LEU A 83 -6.190 -14.134 30.101 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -6.765 -12.733 29.914 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -6.367 -14.937 28.815 1.00 0.00 C ATOM 0 H LEU A 83 -4.391 -11.587 30.357 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.371 -13.331 32.360 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.160 -13.583 29.603 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.283 -15.031 30.582 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.715 -14.632 30.916 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.826 -12.804 29.676 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.637 -12.161 30.833 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.243 -12.231 29.099 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.428 -15.009 28.574 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.843 -14.438 28.000 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.957 -15.938 28.951 1.00 0.00 H new ATOM 1309 N GLU A 84 -2.108 -13.125 32.027 1.00 0.00 N ATOM 1310 CA GLU A 84 -0.842 -13.493 32.658 1.00 0.00 C ATOM 1311 C GLU A 84 -0.353 -12.358 33.550 1.00 0.00 C ATOM 1312 O GLU A 84 -0.142 -11.236 33.087 1.00 0.00 O ATOM 1313 CB GLU A 84 0.210 -13.788 31.583 1.00 0.00 C ATOM 1314 CG GLU A 84 1.470 -14.357 32.245 1.00 0.00 C ATOM 1315 CD GLU A 84 1.191 -15.759 32.773 1.00 0.00 C ATOM 1316 OE1 GLU A 84 0.128 -16.283 32.484 1.00 0.00 O ATOM 1317 OE2 GLU A 84 2.048 -16.293 33.457 1.00 0.00 O ATOM 0 H GLU A 84 -2.024 -12.457 31.261 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.998 -14.384 33.265 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.185 -14.499 30.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.453 -12.877 31.037 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.288 -14.386 31.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.787 -13.708 33.061 1.00 0.00 H new ATOM 1324 N HIS A 85 -0.179 -12.661 34.832 1.00 0.00 N ATOM 1325 CA HIS A 85 0.282 -11.661 35.788 1.00 0.00 C ATOM 1326 C HIS A 85 1.750 -11.334 35.548 1.00 0.00 C ATOM 1327 O HIS A 85 2.536 -12.203 35.173 1.00 0.00 O ATOM 1328 CB HIS A 85 0.101 -12.177 37.216 1.00 0.00 C ATOM 1329 CG HIS A 85 -1.359 -12.408 37.482 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -2.265 -11.365 37.591 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -2.087 -13.558 37.667 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -3.476 -11.901 37.829 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -3.423 -13.235 37.886 1.00 0.00 N ATOM 0 H HIS A 85 -0.349 -13.584 35.231 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.310 -10.756 35.653 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.658 -13.104 37.353 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.502 -11.456 37.928 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.684 -14.560 37.646 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.380 -11.324 37.958 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.196 -13.879 38.054 1.00 0.00 H new ATOM 1341 N HIS A 86 2.115 -10.072 35.764 1.00 0.00 N ATOM 1342 CA HIS A 86 3.497 -9.634 35.563 1.00 0.00 C ATOM 1343 C HIS A 86 4.182 -9.403 36.907 1.00 0.00 C ATOM 1344 O HIS A 86 3.677 -8.666 37.754 1.00 0.00 O ATOM 1345 CB HIS A 86 3.517 -8.338 34.750 1.00 0.00 C ATOM 1346 CG HIS A 86 2.894 -8.583 33.403 1.00 0.00 C ATOM 1347 ND1 HIS A 86 3.582 -9.202 32.370 1.00 0.00 N ATOM 1348 CD2 HIS A 86 1.646 -8.299 32.904 1.00 0.00 C ATOM 1349 CE1 HIS A 86 2.752 -9.270 31.313 1.00 0.00 C ATOM 1350 NE2 HIS A 86 1.559 -8.733 31.585 1.00 0.00 N ATOM 0 H HIS A 86 1.479 -9.338 36.076 1.00 0.00 H new ATOM 0 HA HIS A 86 4.034 -10.412 35.021 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.972 -7.556 35.278 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.542 -7.987 34.630 1.00 0.00 H new ATOM 0 HD2 HIS A 86 0.853 -7.813 33.452 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.018 -9.705 30.361 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.757 -8.657 30.960 1.00 0.00 H new ATOM 1358 N HIS A 87 5.332 -10.040 37.092 1.00 0.00 N ATOM 1359 CA HIS A 87 6.081 -9.897 38.335 1.00 0.00 C ATOM 1360 C HIS A 87 5.206 -10.255 39.532 1.00 0.00 C ATOM 1361 O HIS A 87 4.341 -9.476 39.936 1.00 0.00 O ATOM 1362 CB HIS A 87 6.584 -8.459 38.480 1.00 0.00 C ATOM 1363 CG HIS A 87 7.466 -8.117 37.310 1.00 0.00 C ATOM 1364 ND1 HIS A 87 6.959 -7.584 36.135 1.00 0.00 N ATOM 1365 CD2 HIS A 87 8.821 -8.223 37.119 1.00 0.00 C ATOM 1366 CE1 HIS A 87 7.994 -7.393 35.296 1.00 0.00 C ATOM 1367 NE2 HIS A 87 9.153 -7.766 35.847 1.00 0.00 N ATOM 0 H HIS A 87 5.764 -10.656 36.403 1.00 0.00 H new ATOM 0 HA HIS A 87 6.932 -10.578 38.305 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.741 -7.770 38.527 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.138 -8.348 39.412 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.523 -8.603 37.846 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.899 -6.988 34.299 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.081 -7.725 35.426 1.00 0.00 H new ATOM 1375 N HIS A 88 5.433 -11.438 40.092 1.00 0.00 N ATOM 1376 CA HIS A 88 4.658 -11.890 41.240 1.00 0.00 C ATOM 1377 C HIS A 88 5.142 -11.206 42.512 1.00 0.00 C ATOM 1378 O HIS A 88 6.331 -11.230 42.826 1.00 0.00 O ATOM 1379 CB HIS A 88 4.787 -13.406 41.396 1.00 0.00 C ATOM 1380 CG HIS A 88 4.142 -14.086 40.222 1.00 0.00 C ATOM 1381 ND1 HIS A 88 4.855 -14.432 39.085 1.00 0.00 N ATOM 1382 CD2 HIS A 88 2.850 -14.490 39.993 1.00 0.00 C ATOM 1383 CE1 HIS A 88 3.996 -15.017 38.230 1.00 0.00 C ATOM 1384 NE2 HIS A 88 2.760 -15.077 38.733 1.00 0.00 N ATOM 0 H HIS A 88 6.143 -12.097 39.772 1.00 0.00 H new ATOM 0 HA HIS A 88 3.613 -11.630 41.073 1.00 0.00 H new ATOM 0 HB2 HIS A 88 5.838 -13.688 41.461 1.00 0.00 H new ATOM 0 HB3 HIS A 88 4.313 -13.729 42.323 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.029 -14.371 40.684 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.272 -15.392 37.256 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.929 -15.468 38.290 1.00 0.00 H new ATOM 1392 N HIS A 89 4.214 -10.593 43.242 1.00 0.00 N ATOM 1393 CA HIS A 89 4.556 -9.900 44.486 1.00 0.00 C ATOM 1394 C HIS A 89 3.551 -10.235 45.579 1.00 0.00 C ATOM 1395 O HIS A 89 2.382 -9.860 45.498 1.00 0.00 O ATOM 1396 CB HIS A 89 4.576 -8.390 44.249 1.00 0.00 C ATOM 1397 CG HIS A 89 4.985 -7.691 45.515 1.00 0.00 C ATOM 1398 ND1 HIS A 89 4.064 -7.302 46.474 1.00 0.00 N ATOM 1399 CD2 HIS A 89 6.212 -7.306 45.995 1.00 0.00 C ATOM 1400 CE1 HIS A 89 4.744 -6.710 47.473 1.00 0.00 C ATOM 1401 NE2 HIS A 89 6.057 -6.686 47.232 1.00 0.00 N ATOM 0 H HIS A 89 3.224 -10.560 42.998 1.00 0.00 H new ATOM 0 HA HIS A 89 5.544 -10.230 44.807 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.271 -8.146 43.445 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.591 -8.047 43.933 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.154 -7.460 45.490 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.284 -6.304 48.362 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.789 -6.297 47.826 1.00 0.00 H new ATOM 1409 N HIS A 90 4.014 -10.940 46.607 1.00 0.00 N ATOM 1410 CA HIS A 90 3.146 -11.316 47.717 1.00 0.00 C ATOM 1411 C HIS A 90 1.807 -11.834 47.200 1.00 0.00 C ATOM 1412 O HIS A 90 1.773 -12.317 46.081 1.00 0.00 O ATOM 1413 CB HIS A 90 2.911 -10.107 48.627 1.00 0.00 C ATOM 1414 CG HIS A 90 4.171 -9.799 49.390 1.00 0.00 C ATOM 1415 ND1 HIS A 90 5.221 -9.091 48.829 1.00 0.00 N ATOM 1416 CD2 HIS A 90 4.563 -10.099 50.671 1.00 0.00 C ATOM 1417 CE1 HIS A 90 6.185 -8.988 49.761 1.00 0.00 C ATOM 1418 NE2 HIS A 90 5.836 -9.587 50.903 1.00 0.00 N ATOM 1419 OXT HIS A 90 0.835 -11.739 47.932 1.00 0.00 O ATOM 0 H HIS A 90 4.978 -11.260 46.694 1.00 0.00 H new ATOM 0 HA HIS A 90 3.634 -12.109 48.283 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.613 -9.243 48.032 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.095 -10.313 49.320 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.973 -10.649 51.389 1.00 0.00 H new ATOM 0 HE1 HIS A 90 7.127 -8.483 49.605 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.384 -9.655 51.760 1.00 0.00 H new TER 1427 HIS A 90