USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 79 THR OG1 : rot -164:sc= 0.0972 USER MOD Set 1.2: A 84 HIS : no HE2:sc= -12.3! C(o=-12!,f=-13!) USER MOD Set 2.1: A 68 CYS SG : rot 163:sc= 1.82 USER MOD Set 2.2: A 74 THR OG1 : rot -165:sc= 1.53! USER MOD Set 3.1: A 40 CYS SG : rot -110:sc= -0.661! USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.945 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 8 HIS : no HD1:sc= -3.29! X(o=-3.3!,f=-3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.38) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0796 X(o=-0.08,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.155) USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.256 (180deg=-1.86!) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -1.48 (180deg=-1.49) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.587 F(o=-2.1,f=-0.59) USER MOD Single : A 38 SER OG : rot -89:sc= 0.264 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0014 K(o=-0.0014,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.87) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 83 TYR OH : rot -39:sc= 0.455 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 0.0043 (180deg=-0.0545) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.3 F(o=-5.2!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.562 -2.272 -1.287 1.00 0.00 N ATOM 2 CA ALA A 1 -20.180 -2.692 -0.917 1.00 0.00 C ATOM 3 C ALA A 1 -19.818 -2.154 0.472 1.00 0.00 C ATOM 4 O ALA A 1 -20.032 -0.997 0.775 1.00 0.00 O ATOM 5 CB ALA A 1 -19.282 -2.074 -1.989 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.797 -2.642 -2.230 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.237 -2.647 -0.590 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.618 -1.234 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.072 -3.776 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.243 -2.337 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.570 -2.455 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.391 -0.990 -1.974 1.00 0.00 H new ATOM 13 N LYS A 2 -19.324 -2.999 1.338 1.00 0.00 N ATOM 14 CA LYS A 2 -19.013 -2.548 2.727 1.00 0.00 C ATOM 15 C LYS A 2 -17.573 -2.031 2.821 1.00 0.00 C ATOM 16 O LYS A 2 -17.335 -0.842 2.889 1.00 0.00 O ATOM 17 CB LYS A 2 -19.192 -3.795 3.597 1.00 0.00 C ATOM 18 CG LYS A 2 -20.683 -4.099 3.752 1.00 0.00 C ATOM 19 CD LYS A 2 -20.865 -5.434 4.481 1.00 0.00 C ATOM 20 CE LYS A 2 -21.005 -5.185 5.986 1.00 0.00 C ATOM 21 NZ LYS A 2 -20.764 -6.513 6.617 1.00 0.00 N ATOM 0 H LYS A 2 -19.123 -3.980 1.145 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.659 -1.729 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.682 -4.645 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.739 -3.637 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.171 -3.300 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.159 -4.141 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.749 -5.948 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.012 -6.084 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.283 -4.446 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.996 -4.804 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.843 -6.426 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.470 -7.194 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.811 -6.847 6.369 1.00 0.00 H new ATOM 35 N THR A 3 -16.624 -2.916 2.921 1.00 0.00 N ATOM 36 CA THR A 3 -15.210 -2.479 3.126 1.00 0.00 C ATOM 37 C THR A 3 -14.263 -3.301 2.241 1.00 0.00 C ATOM 38 O THR A 3 -14.512 -4.456 1.960 1.00 0.00 O ATOM 39 CB THR A 3 -14.935 -2.755 4.606 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.310 -4.092 4.916 1.00 0.00 O ATOM 41 CG2 THR A 3 -15.743 -1.783 5.466 1.00 0.00 C ATOM 0 H THR A 3 -16.763 -3.925 2.870 1.00 0.00 H new ATOM 0 HA THR A 3 -15.055 -1.433 2.863 1.00 0.00 H new ATOM 0 HB THR A 3 -13.873 -2.620 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.133 -4.270 5.863 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.547 -1.980 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.453 -0.759 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.806 -1.915 5.264 1.00 0.00 H new ATOM 49 N ALA A 4 -13.140 -2.742 1.869 1.00 0.00 N ATOM 50 CA ALA A 4 -12.138 -3.523 1.090 1.00 0.00 C ATOM 51 C ALA A 4 -10.913 -3.806 1.956 1.00 0.00 C ATOM 52 O ALA A 4 -10.599 -3.058 2.859 1.00 0.00 O ATOM 53 CB ALA A 4 -11.771 -2.631 -0.095 1.00 0.00 C ATOM 0 H ALA A 4 -12.875 -1.778 2.072 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.525 -4.487 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.035 -3.139 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.664 -2.424 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.352 -1.694 0.271 1.00 0.00 H new ATOM 59 N ALA A 5 -10.232 -4.888 1.702 1.00 0.00 N ATOM 60 CA ALA A 5 -9.043 -5.226 2.537 1.00 0.00 C ATOM 61 C ALA A 5 -7.789 -4.617 1.915 1.00 0.00 C ATOM 62 O ALA A 5 -7.538 -4.770 0.738 1.00 0.00 O ATOM 63 CB ALA A 5 -8.961 -6.753 2.522 1.00 0.00 C ATOM 0 H ALA A 5 -10.445 -5.551 0.956 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.124 -4.838 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.108 -7.077 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.876 -7.171 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.841 -7.101 1.496 1.00 0.00 H new ATOM 69 N ALA A 6 -7.085 -3.805 2.654 1.00 0.00 N ATOM 70 CA ALA A 6 -5.954 -3.057 2.038 1.00 0.00 C ATOM 71 C ALA A 6 -4.681 -3.182 2.878 1.00 0.00 C ATOM 72 O ALA A 6 -4.580 -2.636 3.958 1.00 0.00 O ATOM 73 CB ALA A 6 -6.422 -1.604 2.001 1.00 0.00 C ATOM 0 H ALA A 6 -7.241 -3.628 3.646 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.707 -3.444 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.643 -0.982 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.330 -1.529 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.628 -1.262 3.015 1.00 0.00 H new ATOM 79 N LEU A 7 -3.650 -3.727 2.296 1.00 0.00 N ATOM 80 CA LEU A 7 -2.311 -3.691 2.948 1.00 0.00 C ATOM 81 C LEU A 7 -1.430 -2.682 2.211 1.00 0.00 C ATOM 82 O LEU A 7 -1.622 -2.442 1.036 1.00 0.00 O ATOM 83 CB LEU A 7 -1.766 -5.105 2.783 1.00 0.00 C ATOM 84 CG LEU A 7 -2.721 -6.095 3.452 1.00 0.00 C ATOM 85 CD1 LEU A 7 -2.177 -7.517 3.304 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.860 -5.747 4.933 1.00 0.00 C ATOM 0 H LEU A 7 -3.677 -4.198 1.392 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.347 -3.394 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.658 -5.344 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.775 -5.180 3.230 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.698 -6.035 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.860 -8.219 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.085 -7.763 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.198 -7.583 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.540 -6.452 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.883 -5.804 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.256 -4.736 5.034 1.00 0.00 H new ATOM 98 N HIS A 8 -0.485 -2.066 2.868 1.00 0.00 N ATOM 99 CA HIS A 8 0.345 -1.064 2.139 1.00 0.00 C ATOM 100 C HIS A 8 1.571 -0.635 2.945 1.00 0.00 C ATOM 101 O HIS A 8 1.698 -0.921 4.119 1.00 0.00 O ATOM 102 CB HIS A 8 -0.585 0.127 1.892 1.00 0.00 C ATOM 103 CG HIS A 8 -0.751 0.922 3.157 1.00 0.00 C ATOM 104 ND1 HIS A 8 -0.689 2.307 3.176 1.00 0.00 N ATOM 105 CD2 HIS A 8 -0.979 0.540 4.451 1.00 0.00 C ATOM 106 CE1 HIS A 8 -0.876 2.702 4.449 1.00 0.00 C ATOM 107 NE2 HIS A 8 -1.058 1.663 5.267 1.00 0.00 N ATOM 0 H HIS A 8 -0.255 -2.207 3.852 1.00 0.00 H new ATOM 0 HA HIS A 8 0.737 -1.483 1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.176 0.761 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.556 -0.226 1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.082 -0.481 4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.878 3.733 4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.220 1.688 6.274 1.00 0.00 H new ATOM 115 N ILE A 9 2.453 0.090 2.313 1.00 0.00 N ATOM 116 CA ILE A 9 3.664 0.600 3.011 1.00 0.00 C ATOM 117 C ILE A 9 3.954 2.033 2.558 1.00 0.00 C ATOM 118 O ILE A 9 3.820 2.364 1.396 1.00 0.00 O ATOM 119 CB ILE A 9 4.790 -0.335 2.577 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.554 -1.727 3.167 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.128 0.215 3.073 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.456 -2.740 2.459 1.00 0.00 C ATOM 0 H ILE A 9 2.384 0.353 1.330 1.00 0.00 H new ATOM 0 HA ILE A 9 3.547 0.620 4.095 1.00 0.00 H new ATOM 0 HB ILE A 9 4.809 -0.403 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.765 -1.721 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.508 -2.011 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.933 -0.452 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.294 1.205 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.112 0.284 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.289 -3.732 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.223 -2.752 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.500 -2.458 2.599 1.00 0.00 H new ATOM 134 N LEU A 10 4.324 2.889 3.469 1.00 0.00 N ATOM 135 CA LEU A 10 4.594 4.307 3.098 1.00 0.00 C ATOM 136 C LEU A 10 6.102 4.542 2.967 1.00 0.00 C ATOM 137 O LEU A 10 6.849 4.386 3.914 1.00 0.00 O ATOM 138 CB LEU A 10 4.023 5.135 4.250 1.00 0.00 C ATOM 139 CG LEU A 10 3.701 6.548 3.757 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.430 7.458 4.957 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.883 7.096 2.955 1.00 0.00 C ATOM 0 H LEU A 10 4.451 2.668 4.457 1.00 0.00 H new ATOM 0 HA LEU A 10 4.145 4.575 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.122 4.661 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.740 5.180 5.070 1.00 0.00 H new ATOM 0 HG LEU A 10 2.818 6.515 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.201 8.464 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.584 7.070 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.312 7.489 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.650 8.102 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.769 7.128 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.073 6.449 2.098 1.00 0.00 H new ATOM 153 N VAL A 11 6.552 4.945 1.810 1.00 0.00 N ATOM 154 CA VAL A 11 8.009 5.227 1.631 1.00 0.00 C ATOM 155 C VAL A 11 8.227 6.725 1.399 1.00 0.00 C ATOM 156 O VAL A 11 7.583 7.337 0.570 1.00 0.00 O ATOM 157 CB VAL A 11 8.442 4.433 0.393 1.00 0.00 C ATOM 158 CG1 VAL A 11 9.957 4.222 0.434 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.741 3.070 0.367 1.00 0.00 C ATOM 0 H VAL A 11 5.976 5.092 0.981 1.00 0.00 H new ATOM 0 HA VAL A 11 8.586 4.942 2.511 1.00 0.00 H new ATOM 0 HB VAL A 11 8.168 4.991 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.270 3.658 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.459 5.189 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.223 3.668 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.056 2.515 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.006 2.507 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.661 3.217 0.337 1.00 0.00 H new ATOM 169 N LYS A 12 9.107 7.323 2.151 1.00 0.00 N ATOM 170 CA LYS A 12 9.349 8.788 2.010 1.00 0.00 C ATOM 171 C LYS A 12 10.040 9.095 0.677 1.00 0.00 C ATOM 172 O LYS A 12 9.775 10.100 0.049 1.00 0.00 O ATOM 173 CB LYS A 12 10.263 9.146 3.181 1.00 0.00 C ATOM 174 CG LYS A 12 9.489 9.014 4.494 1.00 0.00 C ATOM 175 CD LYS A 12 10.405 9.372 5.665 1.00 0.00 C ATOM 176 CE LYS A 12 9.630 9.241 6.978 1.00 0.00 C ATOM 177 NZ LYS A 12 10.650 9.451 8.045 1.00 0.00 N ATOM 0 H LYS A 12 9.673 6.859 2.861 1.00 0.00 H new ATOM 0 HA LYS A 12 8.422 9.361 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.132 8.488 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.635 10.164 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.620 9.672 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.116 7.996 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.273 8.713 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.778 10.390 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.832 9.981 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.162 8.260 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.197 9.377 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.393 8.728 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.073 10.395 7.940 1.00 0.00 H new ATOM 191 N GLU A 13 10.975 8.276 0.274 1.00 0.00 N ATOM 192 CA GLU A 13 11.732 8.575 -0.977 1.00 0.00 C ATOM 193 C GLU A 13 11.766 7.350 -1.896 1.00 0.00 C ATOM 194 O GLU A 13 11.610 6.227 -1.462 1.00 0.00 O ATOM 195 CB GLU A 13 13.144 8.940 -0.513 1.00 0.00 C ATOM 196 CG GLU A 13 13.691 7.832 0.389 1.00 0.00 C ATOM 197 CD GLU A 13 15.115 8.189 0.824 1.00 0.00 C ATOM 198 OE1 GLU A 13 15.898 8.564 -0.033 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.397 8.081 2.006 1.00 0.00 O ATOM 0 H GLU A 13 11.246 7.418 0.754 1.00 0.00 H new ATOM 0 HA GLU A 13 11.270 9.380 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.797 9.076 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.127 9.887 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.051 7.710 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.689 6.880 -0.143 1.00 0.00 H new ATOM 206 N GLU A 14 11.943 7.570 -3.172 1.00 0.00 N ATOM 207 CA GLU A 14 11.955 6.432 -4.138 1.00 0.00 C ATOM 208 C GLU A 14 13.078 5.446 -3.801 1.00 0.00 C ATOM 209 O GLU A 14 12.932 4.252 -3.965 1.00 0.00 O ATOM 210 CB GLU A 14 12.198 7.071 -5.507 1.00 0.00 C ATOM 211 CG GLU A 14 10.913 7.743 -5.999 1.00 0.00 C ATOM 212 CD GLU A 14 11.164 8.381 -7.367 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.315 8.442 -7.768 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.202 8.800 -7.989 1.00 0.00 O ATOM 0 H GLU A 14 12.080 8.491 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 14 11.023 5.867 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.001 7.805 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.520 6.313 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.110 7.009 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.590 8.501 -5.286 1.00 0.00 H new ATOM 221 N LYS A 15 14.225 5.940 -3.421 1.00 0.00 N ATOM 222 CA LYS A 15 15.378 5.025 -3.181 1.00 0.00 C ATOM 223 C LYS A 15 14.992 3.950 -2.164 1.00 0.00 C ATOM 224 O LYS A 15 15.220 2.776 -2.376 1.00 0.00 O ATOM 225 CB LYS A 15 16.487 5.919 -2.627 1.00 0.00 C ATOM 226 CG LYS A 15 16.981 6.857 -3.731 1.00 0.00 C ATOM 227 CD LYS A 15 18.092 7.755 -3.182 1.00 0.00 C ATOM 228 CE LYS A 15 18.583 8.690 -4.290 1.00 0.00 C ATOM 229 NZ LYS A 15 19.720 9.438 -3.683 1.00 0.00 N ATOM 0 H LYS A 15 14.413 6.931 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 15 15.692 4.507 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.115 6.498 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.311 5.309 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.352 6.277 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.156 7.466 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.721 8.336 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.917 7.147 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.903 8.129 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.793 9.367 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.112 10.101 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.384 9.968 -2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.459 8.768 -3.389 1.00 0.00 H new ATOM 243 N LEU A 16 14.319 4.326 -1.112 1.00 0.00 N ATOM 244 CA LEU A 16 13.821 3.302 -0.153 1.00 0.00 C ATOM 245 C LEU A 16 12.696 2.496 -0.809 1.00 0.00 C ATOM 246 O LEU A 16 12.656 1.284 -0.728 1.00 0.00 O ATOM 247 CB LEU A 16 13.295 4.097 1.044 1.00 0.00 C ATOM 248 CG LEU A 16 13.201 3.182 2.269 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.233 4.032 3.540 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.894 2.388 2.223 1.00 0.00 C ATOM 0 H LEU A 16 14.094 5.292 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 16 14.594 2.595 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.957 4.937 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.315 4.514 0.814 1.00 0.00 H new ATOM 0 HG LEU A 16 14.043 2.490 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.166 3.383 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.165 4.596 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.390 4.724 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.832 1.739 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.049 3.077 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.868 1.782 1.318 1.00 0.00 H new ATOM 262 N ALA A 17 11.831 3.159 -1.529 1.00 0.00 N ATOM 263 CA ALA A 17 10.764 2.430 -2.274 1.00 0.00 C ATOM 264 C ALA A 17 11.392 1.458 -3.275 1.00 0.00 C ATOM 265 O ALA A 17 10.964 0.329 -3.410 1.00 0.00 O ATOM 266 CB ALA A 17 9.978 3.518 -3.005 1.00 0.00 C ATOM 0 H ALA A 17 11.817 4.174 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 17 10.127 1.841 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.172 3.061 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.558 4.214 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.643 4.056 -3.680 1.00 0.00 H new ATOM 272 N LEU A 18 12.430 1.875 -3.947 1.00 0.00 N ATOM 273 CA LEU A 18 13.112 0.959 -4.905 1.00 0.00 C ATOM 274 C LEU A 18 13.625 -0.270 -4.157 1.00 0.00 C ATOM 275 O LEU A 18 13.421 -1.393 -4.575 1.00 0.00 O ATOM 276 CB LEU A 18 14.276 1.772 -5.475 1.00 0.00 C ATOM 277 CG LEU A 18 13.892 2.331 -6.848 1.00 0.00 C ATOM 278 CD1 LEU A 18 13.536 3.814 -6.718 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.071 2.173 -7.810 1.00 0.00 C ATOM 0 H LEU A 18 12.835 2.808 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 18 12.448 0.605 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.529 2.588 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.163 1.144 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 18 13.031 1.785 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.263 4.210 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.696 3.928 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.395 4.362 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.799 2.571 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.932 2.719 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.324 1.117 -7.905 1.00 0.00 H new ATOM 291 N ASP A 19 14.187 -0.072 -2.999 1.00 0.00 N ATOM 292 CA ASP A 19 14.590 -1.237 -2.163 1.00 0.00 C ATOM 293 C ASP A 19 13.365 -2.094 -1.832 1.00 0.00 C ATOM 294 O ASP A 19 13.407 -3.305 -1.900 1.00 0.00 O ATOM 295 CB ASP A 19 15.180 -0.629 -0.891 1.00 0.00 C ATOM 296 CG ASP A 19 15.630 -1.752 0.046 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.159 -2.865 -0.124 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.438 -1.480 0.919 1.00 0.00 O ATOM 0 H ASP A 19 14.385 0.843 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 19 15.304 -1.884 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.025 0.013 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.438 -0.002 -0.396 1.00 0.00 H new ATOM 303 N LEU A 20 12.270 -1.475 -1.476 1.00 0.00 N ATOM 304 CA LEU A 20 11.048 -2.263 -1.143 1.00 0.00 C ATOM 305 C LEU A 20 10.577 -3.040 -2.381 1.00 0.00 C ATOM 306 O LEU A 20 10.253 -4.208 -2.309 1.00 0.00 O ATOM 307 CB LEU A 20 10.021 -1.210 -0.656 1.00 0.00 C ATOM 308 CG LEU A 20 8.838 -1.052 -1.628 1.00 0.00 C ATOM 309 CD1 LEU A 20 7.969 -2.313 -1.597 1.00 0.00 C ATOM 310 CD2 LEU A 20 7.995 0.151 -1.211 1.00 0.00 C ATOM 0 H LEU A 20 12.169 -0.463 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 20 11.210 -3.018 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.645 -1.499 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.520 -0.248 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 20 9.221 -0.901 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.133 -2.196 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.567 -3.174 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.588 -2.467 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.157 0.264 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.617 -0.002 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.609 1.052 -1.236 1.00 0.00 H new ATOM 322 N LEU A 21 10.514 -2.387 -3.505 1.00 0.00 N ATOM 323 CA LEU A 21 10.036 -3.070 -4.736 1.00 0.00 C ATOM 324 C LEU A 21 10.938 -4.264 -5.062 1.00 0.00 C ATOM 325 O LEU A 21 10.473 -5.354 -5.330 1.00 0.00 O ATOM 326 CB LEU A 21 10.126 -2.010 -5.835 1.00 0.00 C ATOM 327 CG LEU A 21 8.960 -1.028 -5.695 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.494 0.406 -5.647 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.025 -1.184 -6.898 1.00 0.00 C ATOM 0 H LEU A 21 10.773 -1.408 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 21 9.024 -3.459 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.074 -1.477 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.100 -2.485 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 21 8.416 -1.238 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.661 1.101 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.163 0.517 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.039 0.622 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.192 -0.487 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.574 -0.972 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.642 -2.204 -6.932 1.00 0.00 H new ATOM 341 N GLU A 22 12.226 -4.052 -5.082 1.00 0.00 N ATOM 342 CA GLU A 22 13.164 -5.156 -5.436 1.00 0.00 C ATOM 343 C GLU A 22 13.033 -6.316 -4.442 1.00 0.00 C ATOM 344 O GLU A 22 13.068 -7.472 -4.818 1.00 0.00 O ATOM 345 CB GLU A 22 14.555 -4.530 -5.350 1.00 0.00 C ATOM 346 CG GLU A 22 15.606 -5.555 -5.782 1.00 0.00 C ATOM 347 CD GLU A 22 16.998 -4.927 -5.695 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.077 -3.749 -5.384 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.962 -5.634 -5.938 1.00 0.00 O ATOM 0 H GLU A 22 12.670 -3.159 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 22 12.958 -5.569 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.608 -3.648 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.753 -4.198 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.553 -6.437 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.408 -5.887 -6.801 1.00 0.00 H new ATOM 356 N GLN A 23 12.944 -6.020 -3.173 1.00 0.00 N ATOM 357 CA GLN A 23 12.882 -7.112 -2.156 1.00 0.00 C ATOM 358 C GLN A 23 11.655 -7.993 -2.387 1.00 0.00 C ATOM 359 O GLN A 23 11.724 -9.205 -2.304 1.00 0.00 O ATOM 360 CB GLN A 23 12.773 -6.395 -0.812 1.00 0.00 C ATOM 361 CG GLN A 23 14.098 -5.705 -0.493 1.00 0.00 C ATOM 362 CD GLN A 23 15.185 -6.759 -0.276 1.00 0.00 C ATOM 363 OE1 GLN A 23 14.999 -7.693 0.478 1.00 0.00 O ATOM 364 NE2 GLN A 23 16.319 -6.648 -0.911 1.00 0.00 N ATOM 0 H GLN A 23 12.912 -5.073 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 23 13.753 -7.765 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.967 -5.662 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.524 -7.108 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.379 -5.040 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.993 -5.087 0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.474 -5.863 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.050 -7.346 -0.775 1.00 0.00 H new ATOM 373 N ILE A 24 10.531 -7.400 -2.675 1.00 0.00 N ATOM 374 CA ILE A 24 9.305 -8.214 -2.907 1.00 0.00 C ATOM 375 C ILE A 24 9.483 -9.081 -4.154 1.00 0.00 C ATOM 376 O ILE A 24 9.221 -10.267 -4.139 1.00 0.00 O ATOM 377 CB ILE A 24 8.184 -7.197 -3.115 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.042 -6.331 -1.861 1.00 0.00 C ATOM 379 CG2 ILE A 24 6.869 -7.933 -3.378 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.101 -5.161 -2.153 1.00 0.00 C ATOM 0 H ILE A 24 10.408 -6.391 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 24 9.091 -8.887 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 24 8.422 -6.563 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.652 -6.928 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.018 -5.958 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.069 -7.207 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.970 -8.550 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.630 -8.567 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.000 -4.544 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.509 -4.560 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.122 -5.544 -2.442 1.00 0.00 H new ATOM 392 N LYS A 25 10.010 -8.519 -5.207 1.00 0.00 N ATOM 393 CA LYS A 25 10.299 -9.340 -6.417 1.00 0.00 C ATOM 394 C LYS A 25 11.306 -10.438 -6.066 1.00 0.00 C ATOM 395 O LYS A 25 11.113 -11.596 -6.380 1.00 0.00 O ATOM 396 CB LYS A 25 10.903 -8.364 -7.427 1.00 0.00 C ATOM 397 CG LYS A 25 9.846 -7.340 -7.849 1.00 0.00 C ATOM 398 CD LYS A 25 8.779 -8.027 -8.703 1.00 0.00 C ATOM 399 CE LYS A 25 7.773 -6.985 -9.197 1.00 0.00 C ATOM 400 NZ LYS A 25 6.800 -7.753 -10.024 1.00 0.00 N ATOM 0 H LYS A 25 10.252 -7.531 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 25 9.408 -9.829 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.761 -7.855 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.266 -8.907 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.388 -6.891 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.312 -6.532 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.244 -8.529 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.268 -8.793 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.277 -6.488 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.264 -6.209 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.077 -7.106 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.300 -8.209 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.343 -8.480 -9.437 1.00 0.00 H new ATOM 414 N ASN A 26 12.363 -10.084 -5.385 1.00 0.00 N ATOM 415 CA ASN A 26 13.367 -11.107 -4.976 1.00 0.00 C ATOM 416 C ASN A 26 12.714 -12.168 -4.094 1.00 0.00 C ATOM 417 O ASN A 26 12.788 -13.351 -4.364 1.00 0.00 O ATOM 418 CB ASN A 26 14.405 -10.334 -4.164 1.00 0.00 C ATOM 419 CG ASN A 26 15.646 -11.205 -3.957 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.069 -11.425 -2.840 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.253 -11.711 -4.995 1.00 0.00 N ATOM 0 H ASN A 26 12.574 -9.129 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 26 13.801 -11.619 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.676 -9.414 -4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.986 -10.045 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.082 -12.291 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.898 -11.527 -5.933 1.00 0.00 H new ATOM 428 N GLY A 27 12.191 -11.758 -2.974 1.00 0.00 N ATOM 429 CA GLY A 27 11.669 -12.741 -1.991 1.00 0.00 C ATOM 430 C GLY A 27 10.140 -12.746 -2.019 1.00 0.00 C ATOM 431 O GLY A 27 9.518 -13.785 -1.918 1.00 0.00 O ATOM 0 H GLY A 27 12.103 -10.780 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.049 -13.736 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.022 -12.490 -0.991 1.00 0.00 H new ATOM 435 N ALA A 28 9.536 -11.582 -2.105 1.00 0.00 N ATOM 436 CA ALA A 28 8.038 -11.475 -2.090 1.00 0.00 C ATOM 437 C ALA A 28 7.520 -11.565 -0.655 1.00 0.00 C ATOM 438 O ALA A 28 7.457 -12.629 -0.071 1.00 0.00 O ATOM 439 CB ALA A 28 7.504 -12.632 -2.941 1.00 0.00 C ATOM 0 H ALA A 28 10.024 -10.690 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 28 7.703 -10.519 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.415 -12.597 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.888 -12.544 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.829 -13.580 -2.511 1.00 0.00 H new ATOM 445 N ASP A 29 7.222 -10.445 -0.056 1.00 0.00 N ATOM 446 CA ASP A 29 6.794 -10.455 1.371 1.00 0.00 C ATOM 447 C ASP A 29 6.399 -9.043 1.814 1.00 0.00 C ATOM 448 O ASP A 29 7.188 -8.316 2.384 1.00 0.00 O ATOM 449 CB ASP A 29 8.029 -10.935 2.128 1.00 0.00 C ATOM 450 CG ASP A 29 7.861 -12.411 2.495 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.731 -12.830 2.687 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.866 -13.098 2.580 1.00 0.00 O ATOM 0 H ASP A 29 7.256 -9.524 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 29 5.926 -11.090 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.920 -10.801 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.171 -10.339 3.030 1.00 0.00 H new ATOM 457 N PHE A 30 5.192 -8.638 1.530 1.00 0.00 N ATOM 458 CA PHE A 30 4.758 -7.259 1.901 1.00 0.00 C ATOM 459 C PHE A 30 4.707 -7.097 3.425 1.00 0.00 C ATOM 460 O PHE A 30 5.143 -6.100 3.965 1.00 0.00 O ATOM 461 CB PHE A 30 3.359 -7.100 1.296 1.00 0.00 C ATOM 462 CG PHE A 30 3.470 -6.526 -0.099 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.638 -5.144 -0.273 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.409 -7.369 -1.220 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.746 -4.606 -1.563 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.516 -6.831 -2.510 1.00 0.00 C ATOM 467 CZ PHE A 30 3.685 -5.449 -2.681 1.00 0.00 C ATOM 0 H PHE A 30 4.486 -9.202 1.057 1.00 0.00 H new ATOM 0 HA PHE A 30 5.451 -6.504 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.854 -8.066 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.754 -6.445 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.684 -4.494 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.280 -8.433 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.876 -3.542 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.468 -7.480 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.768 -5.034 -3.675 1.00 0.00 H new ATOM 477 N GLY A 31 4.142 -8.045 4.120 1.00 0.00 N ATOM 478 CA GLY A 31 4.020 -7.912 5.601 1.00 0.00 C ATOM 479 C GLY A 31 5.412 -7.783 6.228 1.00 0.00 C ATOM 480 O GLY A 31 5.656 -6.923 7.054 1.00 0.00 O ATOM 0 H GLY A 31 3.760 -8.906 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.418 -7.038 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.505 -8.780 6.012 1.00 0.00 H new ATOM 484 N LYS A 32 6.315 -8.652 5.871 1.00 0.00 N ATOM 485 CA LYS A 32 7.675 -8.606 6.481 1.00 0.00 C ATOM 486 C LYS A 32 8.384 -7.309 6.085 1.00 0.00 C ATOM 487 O LYS A 32 9.060 -6.691 6.884 1.00 0.00 O ATOM 488 CB LYS A 32 8.409 -9.819 5.910 1.00 0.00 C ATOM 489 CG LYS A 32 7.732 -11.102 6.402 1.00 0.00 C ATOM 490 CD LYS A 32 8.464 -12.318 5.832 1.00 0.00 C ATOM 491 CE LYS A 32 7.775 -13.599 6.308 1.00 0.00 C ATOM 492 NZ LYS A 32 8.254 -13.802 7.703 1.00 0.00 N ATOM 0 H LYS A 32 6.172 -9.392 5.184 1.00 0.00 H new ATOM 0 HA LYS A 32 7.642 -8.630 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.399 -9.784 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.454 -9.804 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.742 -11.136 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.687 -11.116 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.466 -12.277 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.506 -12.312 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.690 -13.499 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.037 -14.446 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.819 -14.674 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.840 -12.992 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.438 -13.882 8.342 1.00 0.00 H new ATOM 506 N LEU A 33 8.234 -6.890 4.860 1.00 0.00 N ATOM 507 CA LEU A 33 8.897 -5.637 4.414 1.00 0.00 C ATOM 508 C LEU A 33 8.382 -4.444 5.225 1.00 0.00 C ATOM 509 O LEU A 33 9.142 -3.593 5.641 1.00 0.00 O ATOM 510 CB LEU A 33 8.508 -5.504 2.944 1.00 0.00 C ATOM 511 CG LEU A 33 9.083 -4.208 2.385 1.00 0.00 C ATOM 512 CD1 LEU A 33 10.607 -4.229 2.511 1.00 0.00 C ATOM 513 CD2 LEU A 33 8.694 -4.070 0.913 1.00 0.00 C ATOM 0 H LEU A 33 7.679 -7.364 4.147 1.00 0.00 H new ATOM 0 HA LEU A 33 9.978 -5.661 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.884 -6.356 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.423 -5.508 2.842 1.00 0.00 H new ATOM 0 HG LEU A 33 8.685 -3.363 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.018 -3.302 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.884 -4.326 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.007 -5.074 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.105 -3.143 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.091 -4.915 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.608 -4.053 0.824 1.00 0.00 H new ATOM 525 N ALA A 34 7.108 -4.401 5.500 1.00 0.00 N ATOM 526 CA ALA A 34 6.566 -3.290 6.336 1.00 0.00 C ATOM 527 C ALA A 34 7.232 -3.294 7.713 1.00 0.00 C ATOM 528 O ALA A 34 7.655 -2.271 8.205 1.00 0.00 O ATOM 529 CB ALA A 34 5.071 -3.581 6.463 1.00 0.00 C ATOM 0 H ALA A 34 6.420 -5.084 5.184 1.00 0.00 H new ATOM 0 HA ALA A 34 6.753 -2.311 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.599 -2.805 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.618 -3.596 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.928 -4.550 6.942 1.00 0.00 H new ATOM 535 N LYS A 35 7.274 -4.415 8.370 1.00 0.00 N ATOM 536 CA LYS A 35 7.844 -4.429 9.748 1.00 0.00 C ATOM 537 C LYS A 35 9.305 -3.961 9.735 1.00 0.00 C ATOM 538 O LYS A 35 9.740 -3.247 10.616 1.00 0.00 O ATOM 539 CB LYS A 35 7.748 -5.884 10.209 1.00 0.00 C ATOM 540 CG LYS A 35 8.095 -5.965 11.697 1.00 0.00 C ATOM 541 CD LYS A 35 8.002 -7.417 12.169 1.00 0.00 C ATOM 542 CE LYS A 35 8.315 -7.486 13.665 1.00 0.00 C ATOM 543 NZ LYS A 35 7.331 -6.564 14.303 1.00 0.00 N ATOM 0 H LYS A 35 6.943 -5.314 8.021 1.00 0.00 H new ATOM 0 HA LYS A 35 7.307 -3.755 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.742 -6.267 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.430 -6.507 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.101 -5.581 11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.413 -5.340 12.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.004 -7.810 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.702 -8.038 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.209 -8.502 14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.339 -7.175 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.113 -6.899 15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.734 -5.607 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.458 -6.543 13.738 1.00 0.00 H new ATOM 557 N LYS A 36 10.089 -4.421 8.795 1.00 0.00 N ATOM 558 CA LYS A 36 11.540 -4.062 8.802 1.00 0.00 C ATOM 559 C LYS A 36 11.759 -2.581 8.462 1.00 0.00 C ATOM 560 O LYS A 36 12.687 -1.964 8.948 1.00 0.00 O ATOM 561 CB LYS A 36 12.175 -4.942 7.724 1.00 0.00 C ATOM 562 CG LYS A 36 12.184 -6.401 8.181 1.00 0.00 C ATOM 563 CD LYS A 36 12.822 -7.266 7.090 1.00 0.00 C ATOM 564 CE LYS A 36 12.836 -8.728 7.538 1.00 0.00 C ATOM 565 NZ LYS A 36 11.532 -9.282 7.077 1.00 0.00 N ATOM 0 H LYS A 36 9.792 -5.025 8.029 1.00 0.00 H new ATOM 0 HA LYS A 36 11.977 -4.220 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.619 -4.848 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.193 -4.609 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.742 -6.499 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.167 -6.738 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.264 -7.166 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.838 -6.926 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.673 -9.269 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.939 -8.809 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.319 -10.153 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.780 -8.583 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.586 -9.497 6.061 1.00 0.00 H new ATOM 579 N HIS A 37 11.060 -2.072 7.483 1.00 0.00 N ATOM 580 CA HIS A 37 11.412 -0.717 6.959 1.00 0.00 C ATOM 581 C HIS A 37 10.403 0.345 7.411 1.00 0.00 C ATOM 582 O HIS A 37 10.693 1.525 7.400 1.00 0.00 O ATOM 583 CB HIS A 37 11.377 -0.867 5.438 1.00 0.00 C ATOM 584 CG HIS A 37 12.494 -1.774 4.995 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.583 -3.141 4.901 1.00 0.00 N flip ATOM 586 CD2 HIS A 37 13.721 -1.286 4.577 1.00 0.00 C flip ATOM 587 CE1 HIS A 37 13.844 -3.497 4.431 1.00 0.00 C flip ATOM 588 NE2 HIS A 37 14.488 -2.341 4.252 1.00 0.00 N flip ATOM 0 H HIS A 37 10.270 -2.528 7.027 1.00 0.00 H new ATOM 0 HA HIS A 37 12.383 -0.387 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.417 -1.276 5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.478 0.109 4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.009 -0.247 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.220 -4.493 4.250 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.446 -2.267 3.910 1.00 0.00 H new ATOM 596 N SER A 38 9.179 -0.038 7.646 1.00 0.00 N ATOM 597 CA SER A 38 8.120 0.982 7.902 1.00 0.00 C ATOM 598 C SER A 38 8.467 1.829 9.133 1.00 0.00 C ATOM 599 O SER A 38 8.344 3.037 9.110 1.00 0.00 O ATOM 600 CB SER A 38 6.843 0.177 8.139 1.00 0.00 C ATOM 601 OG SER A 38 6.900 -0.434 9.421 1.00 0.00 O ATOM 0 H SER A 38 8.865 -1.008 7.672 1.00 0.00 H new ATOM 0 HA SER A 38 8.014 1.678 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.972 0.829 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.731 -0.584 7.366 1.00 0.00 H new ATOM 0 HG SER A 38 7.322 -1.315 9.345 1.00 0.00 H new ATOM 607 N ILE A 39 8.913 1.204 10.195 1.00 0.00 N ATOM 608 CA ILE A 39 9.287 1.964 11.432 1.00 0.00 C ATOM 609 C ILE A 39 8.344 3.153 11.650 1.00 0.00 C ATOM 610 O ILE A 39 8.752 4.207 12.097 1.00 0.00 O ATOM 611 CB ILE A 39 10.713 2.452 11.190 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.740 3.386 9.981 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.624 1.251 10.927 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.100 4.079 9.916 1.00 0.00 C ATOM 0 H ILE A 39 9.035 0.193 10.260 1.00 0.00 H new ATOM 0 HA ILE A 39 9.213 1.341 12.323 1.00 0.00 H new ATOM 0 HB ILE A 39 11.064 2.991 12.070 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.561 2.822 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.944 4.126 10.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.643 1.598 10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.609 0.587 11.791 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.270 0.712 10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.127 4.747 9.055 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.259 4.655 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.886 3.330 9.818 1.00 0.00 H new ATOM 626 N CYS A 40 7.110 3.024 11.247 1.00 0.00 N ATOM 627 CA CYS A 40 6.170 4.180 11.331 1.00 0.00 C ATOM 628 C CYS A 40 4.907 3.782 12.105 1.00 0.00 C ATOM 629 O CYS A 40 4.433 2.672 11.983 1.00 0.00 O ATOM 630 CB CYS A 40 5.835 4.503 9.872 1.00 0.00 C ATOM 631 SG CYS A 40 4.576 5.800 9.797 1.00 0.00 S ATOM 0 H CYS A 40 6.711 2.168 10.863 1.00 0.00 H new ATOM 0 HA CYS A 40 6.598 5.035 11.855 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.734 4.827 9.347 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.476 3.607 9.366 1.00 0.00 H new ATOM 0 HG CYS A 40 3.455 5.293 9.377 1.00 0.00 H new ATOM 637 N PRO A 41 4.388 4.716 12.858 1.00 0.00 N ATOM 638 CA PRO A 41 3.146 4.465 13.628 1.00 0.00 C ATOM 639 C PRO A 41 2.105 3.748 12.761 1.00 0.00 C ATOM 640 O PRO A 41 1.249 3.045 13.259 1.00 0.00 O ATOM 641 CB PRO A 41 2.674 5.864 14.005 1.00 0.00 C ATOM 642 CG PRO A 41 3.912 6.708 14.012 1.00 0.00 C ATOM 643 CD PRO A 41 4.902 6.076 13.065 1.00 0.00 C ATOM 0 HA PRO A 41 3.303 3.823 14.495 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.945 6.240 13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.190 5.866 14.982 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.682 7.727 13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.329 6.768 15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.961 6.626 12.126 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.906 6.062 13.490 1.00 0.00 H new ATOM 651 N SER A 42 2.187 3.898 11.465 1.00 0.00 N ATOM 652 CA SER A 42 1.218 3.196 10.572 1.00 0.00 C ATOM 653 C SER A 42 1.926 2.083 9.795 1.00 0.00 C ATOM 654 O SER A 42 1.411 1.564 8.826 1.00 0.00 O ATOM 655 CB SER A 42 0.699 4.271 9.616 1.00 0.00 C ATOM 656 OG SER A 42 1.658 5.312 9.509 1.00 0.00 O ATOM 0 H SER A 42 2.880 4.474 10.987 1.00 0.00 H new ATOM 0 HA SER A 42 0.408 2.728 11.132 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.506 3.838 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.248 4.670 9.980 1.00 0.00 H new ATOM 0 HG SER A 42 1.327 6.000 8.895 1.00 0.00 H new ATOM 662 N GLY A 43 3.059 1.648 10.268 1.00 0.00 N ATOM 663 CA GLY A 43 3.739 0.496 9.616 1.00 0.00 C ATOM 664 C GLY A 43 3.360 -0.784 10.359 1.00 0.00 C ATOM 665 O GLY A 43 2.757 -1.681 9.804 1.00 0.00 O ATOM 0 H GLY A 43 3.543 2.039 11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.443 0.426 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.820 0.637 9.633 1.00 0.00 H new ATOM 669 N LYS A 44 3.631 -0.836 11.634 1.00 0.00 N ATOM 670 CA LYS A 44 3.200 -2.012 12.441 1.00 0.00 C ATOM 671 C LYS A 44 1.675 -2.150 12.387 1.00 0.00 C ATOM 672 O LYS A 44 1.140 -3.240 12.341 1.00 0.00 O ATOM 673 CB LYS A 44 3.658 -1.699 13.865 1.00 0.00 C ATOM 674 CG LYS A 44 5.185 -1.755 13.936 1.00 0.00 C ATOM 675 CD LYS A 44 5.640 -1.443 15.362 1.00 0.00 C ATOM 676 CE LYS A 44 7.169 -1.471 15.429 1.00 0.00 C ATOM 677 NZ LYS A 44 7.513 -0.715 16.669 1.00 0.00 N ATOM 0 H LYS A 44 4.133 -0.115 12.152 1.00 0.00 H new ATOM 0 HA LYS A 44 3.621 -2.948 12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.306 -0.711 14.162 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.225 -2.415 14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.538 -2.742 13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.619 -1.038 13.239 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.270 -0.464 15.667 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.222 -2.172 16.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.544 -2.494 15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.612 -1.007 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.546 -0.690 16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.149 0.257 16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.084 -1.184 17.492 1.00 0.00 H new ATOM 691 N ARG A 45 0.972 -1.050 12.445 1.00 0.00 N ATOM 692 CA ARG A 45 -0.513 -1.108 12.457 1.00 0.00 C ATOM 693 C ARG A 45 -1.076 -0.781 11.070 1.00 0.00 C ATOM 694 O ARG A 45 -2.077 -1.330 10.654 1.00 0.00 O ATOM 695 CB ARG A 45 -0.924 -0.044 13.477 1.00 0.00 C ATOM 696 CG ARG A 45 -2.413 0.253 13.331 1.00 0.00 C ATOM 697 CD ARG A 45 -3.223 -0.953 13.811 1.00 0.00 C ATOM 698 NE ARG A 45 -4.647 -0.526 13.710 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.598 -1.297 14.165 1.00 0.00 C ATOM 700 NH1 ARG A 45 -5.309 -2.451 14.706 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.843 -0.914 14.079 1.00 0.00 N ATOM 0 H ARG A 45 1.368 -0.111 12.485 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.892 -2.097 12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.709 -0.392 14.487 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.344 0.866 13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.677 1.137 13.912 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.651 0.473 12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.029 -1.830 13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.963 -1.221 14.835 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.880 0.371 13.284 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.337 -2.753 14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.055 -3.050 15.060 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.072 -0.014 13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.587 -1.515 14.434 1.00 0.00 H new ATOM 715 N GLY A 46 -0.469 0.137 10.368 1.00 0.00 N ATOM 716 CA GLY A 46 -1.007 0.528 9.032 1.00 0.00 C ATOM 717 C GLY A 46 -0.519 -0.462 7.971 1.00 0.00 C ATOM 718 O GLY A 46 -1.046 -0.519 6.879 1.00 0.00 O ATOM 0 H GLY A 46 0.374 0.632 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.097 0.541 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.682 1.537 8.779 1.00 0.00 H new ATOM 722 N GLY A 47 0.389 -1.332 8.329 1.00 0.00 N ATOM 723 CA GLY A 47 0.796 -2.421 7.388 1.00 0.00 C ATOM 724 C GLY A 47 -0.298 -3.495 7.340 1.00 0.00 C ATOM 725 O GLY A 47 -0.172 -4.495 6.661 1.00 0.00 O ATOM 0 H GLY A 47 0.866 -1.337 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.962 -2.011 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.739 -2.862 7.712 1.00 0.00 H new ATOM 729 N ASP A 48 -1.368 -3.293 8.059 1.00 0.00 N ATOM 730 CA ASP A 48 -2.478 -4.282 8.070 1.00 0.00 C ATOM 731 C ASP A 48 -3.706 -3.624 8.694 1.00 0.00 C ATOM 732 O ASP A 48 -4.101 -3.926 9.803 1.00 0.00 O ATOM 733 CB ASP A 48 -1.981 -5.435 8.946 1.00 0.00 C ATOM 734 CG ASP A 48 -3.107 -6.453 9.140 1.00 0.00 C ATOM 735 OD1 ASP A 48 -4.229 -6.142 8.777 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.828 -7.526 9.648 1.00 0.00 O ATOM 0 H ASP A 48 -1.520 -2.473 8.646 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.751 -4.633 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.120 -5.914 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.650 -5.055 9.912 1.00 0.00 H new ATOM 741 N LEU A 49 -4.248 -2.652 8.012 1.00 0.00 N ATOM 742 CA LEU A 49 -5.383 -1.872 8.578 1.00 0.00 C ATOM 743 C LEU A 49 -6.642 -2.741 8.638 1.00 0.00 C ATOM 744 O LEU A 49 -7.511 -2.534 9.460 1.00 0.00 O ATOM 745 CB LEU A 49 -5.570 -0.688 7.621 1.00 0.00 C ATOM 746 CG LEU A 49 -4.388 0.282 7.758 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.102 0.931 6.402 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.731 1.371 8.775 1.00 0.00 C ATOM 0 H LEU A 49 -3.950 -2.363 7.080 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.191 -1.535 9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.641 -1.046 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.504 -0.172 7.844 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.509 -0.267 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.263 1.620 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.856 0.158 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.984 1.478 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.890 2.058 8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.611 1.919 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.937 0.913 9.743 1.00 0.00 H new ATOM 760 N GLY A 50 -6.750 -3.712 7.770 1.00 0.00 N ATOM 761 CA GLY A 50 -7.954 -4.586 7.780 1.00 0.00 C ATOM 762 C GLY A 50 -8.879 -4.185 6.633 1.00 0.00 C ATOM 763 O GLY A 50 -8.433 -3.790 5.571 1.00 0.00 O ATOM 0 H GLY A 50 -6.056 -3.936 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.660 -5.631 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.476 -4.494 8.732 1.00 0.00 H new ATOM 767 N GLU A 51 -10.164 -4.311 6.823 1.00 0.00 N ATOM 768 CA GLU A 51 -11.112 -3.966 5.729 1.00 0.00 C ATOM 769 C GLU A 51 -11.898 -2.699 6.095 1.00 0.00 C ATOM 770 O GLU A 51 -12.421 -2.577 7.185 1.00 0.00 O ATOM 771 CB GLU A 51 -12.040 -5.177 5.623 1.00 0.00 C ATOM 772 CG GLU A 51 -12.691 -5.198 4.241 1.00 0.00 C ATOM 773 CD GLU A 51 -13.621 -6.409 4.131 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.577 -7.247 5.016 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.360 -6.477 3.162 1.00 0.00 O ATOM 0 H GLU A 51 -10.597 -4.637 7.687 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.609 -3.759 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.477 -6.096 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.806 -5.131 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.254 -4.279 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.925 -5.244 3.467 1.00 0.00 H new ATOM 782 N PHE A 52 -11.925 -1.729 5.219 1.00 0.00 N ATOM 783 CA PHE A 52 -12.610 -0.439 5.546 1.00 0.00 C ATOM 784 C PHE A 52 -13.279 0.148 4.297 1.00 0.00 C ATOM 785 O PHE A 52 -13.143 -0.370 3.213 1.00 0.00 O ATOM 786 CB PHE A 52 -11.494 0.485 6.036 1.00 0.00 C ATOM 787 CG PHE A 52 -10.367 0.484 5.031 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.572 0.992 3.738 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.115 -0.036 5.386 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.530 0.977 2.806 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.069 -0.046 4.454 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.276 0.461 3.162 1.00 0.00 C ATOM 0 H PHE A 52 -11.503 -1.772 4.291 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.395 -0.570 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.877 1.497 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.130 0.151 7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.536 1.395 3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.956 -0.429 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.691 1.363 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.104 -0.444 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.470 0.454 2.443 1.00 0.00 H new ATOM 802 N ARG A 53 -13.885 1.298 4.420 1.00 0.00 N ATOM 803 CA ARG A 53 -14.428 1.991 3.212 1.00 0.00 C ATOM 804 C ARG A 53 -14.893 3.402 3.576 1.00 0.00 C ATOM 805 O ARG A 53 -14.775 4.326 2.796 1.00 0.00 O ATOM 806 CB ARG A 53 -15.625 1.158 2.754 1.00 0.00 C ATOM 807 CG ARG A 53 -16.441 1.966 1.741 1.00 0.00 C ATOM 808 CD ARG A 53 -17.679 1.172 1.321 1.00 0.00 C ATOM 809 NE ARG A 53 -18.444 2.104 0.444 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.036 3.150 0.958 1.00 0.00 C ATOM 811 NH1 ARG A 53 -18.981 3.372 2.245 1.00 0.00 N ATOM 812 NH2 ARG A 53 -19.690 3.973 0.185 1.00 0.00 N ATOM 0 H ARG A 53 -14.028 1.789 5.303 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.672 2.081 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.284 0.226 2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.246 0.891 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.740 2.919 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.830 2.194 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.404 0.262 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.268 0.869 2.187 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.505 1.925 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.475 2.728 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.444 4.189 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.739 3.800 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.152 4.790 0.585 1.00 0.00 H new ATOM 826 N GLN A 54 -15.626 3.511 4.647 1.00 0.00 N ATOM 827 CA GLN A 54 -16.343 4.786 4.937 1.00 0.00 C ATOM 828 C GLN A 54 -15.359 5.944 5.076 1.00 0.00 C ATOM 829 O GLN A 54 -15.512 6.983 4.466 1.00 0.00 O ATOM 830 CB GLN A 54 -17.038 4.531 6.271 1.00 0.00 C ATOM 831 CG GLN A 54 -18.162 3.526 6.058 1.00 0.00 C ATOM 832 CD GLN A 54 -18.805 3.178 7.402 1.00 0.00 C ATOM 833 OE1 GLN A 54 -18.220 3.397 8.443 1.00 0.00 O ATOM 834 NE2 GLN A 54 -19.993 2.637 7.421 1.00 0.00 N ATOM 0 H GLN A 54 -15.761 2.772 5.337 1.00 0.00 H new ATOM 0 HA GLN A 54 -17.035 5.058 4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -16.324 4.149 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -17.437 5.463 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -18.910 3.941 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -17.772 2.624 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.484 2.453 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.430 2.398 8.311 1.00 0.00 H new ATOM 843 N GLY A 55 -14.337 5.760 5.854 1.00 0.00 N ATOM 844 CA GLY A 55 -13.323 6.837 6.012 1.00 0.00 C ATOM 845 C GLY A 55 -12.277 6.695 4.910 1.00 0.00 C ATOM 846 O GLY A 55 -12.566 6.892 3.747 1.00 0.00 O ATOM 0 H GLY A 55 -14.157 4.911 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.800 7.815 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.850 6.769 6.992 1.00 0.00 H new ATOM 850 N GLN A 56 -11.119 6.201 5.247 1.00 0.00 N ATOM 851 CA GLN A 56 -10.108 5.868 4.200 1.00 0.00 C ATOM 852 C GLN A 56 -9.658 7.152 3.495 1.00 0.00 C ATOM 853 O GLN A 56 -8.601 7.684 3.766 1.00 0.00 O ATOM 854 CB GLN A 56 -10.809 4.935 3.191 1.00 0.00 C ATOM 855 CG GLN A 56 -11.898 4.074 3.863 1.00 0.00 C ATOM 856 CD GLN A 56 -11.426 3.589 5.237 1.00 0.00 C ATOM 857 OE1 GLN A 56 -12.193 3.562 6.179 1.00 0.00 O ATOM 858 NE2 GLN A 56 -10.189 3.217 5.394 1.00 0.00 N ATOM 0 H GLN A 56 -10.826 6.012 6.206 1.00 0.00 H new ATOM 0 HA GLN A 56 -9.229 5.390 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.257 5.531 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.069 4.285 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.814 4.655 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.135 3.219 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.545 3.240 4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.863 2.903 6.308 1.00 0.00 H new ATOM 867 N MET A 57 -10.543 7.732 2.736 1.00 0.00 N ATOM 868 CA MET A 57 -10.296 9.089 2.160 1.00 0.00 C ATOM 869 C MET A 57 -9.095 9.105 1.207 1.00 0.00 C ATOM 870 O MET A 57 -9.182 9.635 0.118 1.00 0.00 O ATOM 871 CB MET A 57 -10.019 9.988 3.364 1.00 0.00 C ATOM 872 CG MET A 57 -9.984 11.448 2.907 1.00 0.00 C ATOM 873 SD MET A 57 -9.419 12.495 4.271 1.00 0.00 S ATOM 874 CE MET A 57 -7.664 12.504 3.834 1.00 0.00 C ATOM 0 H MET A 57 -11.442 7.320 2.485 1.00 0.00 H new ATOM 0 HA MET A 57 -11.151 9.419 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.791 9.850 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.069 9.716 3.825 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.317 11.556 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.975 11.762 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.112 13.104 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.282 11.483 3.842 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.539 12.930 2.839 1.00 0.00 H new ATOM 884 N VAL A 58 -7.934 8.741 1.686 1.00 0.00 N ATOM 885 CA VAL A 58 -6.692 8.980 0.884 1.00 0.00 C ATOM 886 C VAL A 58 -6.935 8.658 -0.597 1.00 0.00 C ATOM 887 O VAL A 58 -7.566 7.672 -0.926 1.00 0.00 O ATOM 888 CB VAL A 58 -5.639 8.041 1.472 1.00 0.00 C ATOM 889 CG1 VAL A 58 -6.259 6.666 1.684 1.00 0.00 C ATOM 890 CG2 VAL A 58 -4.455 7.923 0.507 1.00 0.00 C ATOM 0 H VAL A 58 -7.790 8.292 2.590 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.376 10.022 0.931 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.288 8.438 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.513 5.991 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.101 6.749 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.608 6.273 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.706 7.253 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.801 7.525 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.014 8.907 0.351 1.00 0.00 H new ATOM 900 N PRO A 59 -6.505 9.564 -1.433 1.00 0.00 N ATOM 901 CA PRO A 59 -6.761 9.456 -2.893 1.00 0.00 C ATOM 902 C PRO A 59 -5.993 8.276 -3.491 1.00 0.00 C ATOM 903 O PRO A 59 -6.539 7.479 -4.227 1.00 0.00 O ATOM 904 CB PRO A 59 -6.234 10.774 -3.455 1.00 0.00 C ATOM 905 CG PRO A 59 -5.278 11.289 -2.424 1.00 0.00 C ATOM 906 CD PRO A 59 -5.741 10.764 -1.093 1.00 0.00 C ATOM 0 HA PRO A 59 -7.813 9.286 -3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.736 10.622 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.046 11.481 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.263 10.955 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.261 12.379 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.899 10.530 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.357 11.494 -0.568 1.00 0.00 H new ATOM 914 N ALA A 60 -4.719 8.191 -3.223 1.00 0.00 N ATOM 915 CA ALA A 60 -3.898 7.098 -3.821 1.00 0.00 C ATOM 916 C ALA A 60 -4.673 5.780 -3.783 1.00 0.00 C ATOM 917 O ALA A 60 -4.643 5.003 -4.717 1.00 0.00 O ATOM 918 CB ALA A 60 -2.647 7.018 -2.945 1.00 0.00 C ATOM 0 H ALA A 60 -4.209 8.832 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.648 7.288 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.989 6.234 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.124 7.974 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.935 6.789 -1.919 1.00 0.00 H new ATOM 924 N PHE A 61 -5.412 5.551 -2.736 1.00 0.00 N ATOM 925 CA PHE A 61 -6.244 4.318 -2.665 1.00 0.00 C ATOM 926 C PHE A 61 -7.246 4.292 -3.826 1.00 0.00 C ATOM 927 O PHE A 61 -7.435 3.282 -4.473 1.00 0.00 O ATOM 928 CB PHE A 61 -6.969 4.415 -1.322 1.00 0.00 C ATOM 929 CG PHE A 61 -7.762 3.155 -1.079 1.00 0.00 C ATOM 930 CD1 PHE A 61 -7.140 2.044 -0.490 1.00 0.00 C ATOM 931 CD2 PHE A 61 -9.117 3.094 -1.431 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.873 0.873 -0.256 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.851 1.922 -1.198 1.00 0.00 C ATOM 934 CZ PHE A 61 -9.229 0.811 -0.609 1.00 0.00 C ATOM 0 H PHE A 61 -5.477 6.165 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.651 3.406 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.248 4.563 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.632 5.280 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.096 2.091 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.596 3.950 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.394 0.018 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.895 1.875 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.794 -0.091 -0.428 1.00 0.00 H new ATOM 944 N ASP A 62 -7.875 5.403 -4.103 1.00 0.00 N ATOM 945 CA ASP A 62 -8.848 5.451 -5.236 1.00 0.00 C ATOM 946 C ASP A 62 -8.150 5.103 -6.548 1.00 0.00 C ATOM 947 O ASP A 62 -8.660 4.344 -7.350 1.00 0.00 O ATOM 948 CB ASP A 62 -9.352 6.895 -5.262 1.00 0.00 C ATOM 949 CG ASP A 62 -10.402 7.050 -6.364 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.424 6.217 -7.256 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.167 7.998 -6.296 1.00 0.00 O ATOM 0 H ASP A 62 -7.758 6.280 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.662 4.737 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.782 7.159 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.521 7.578 -5.438 1.00 0.00 H new ATOM 956 N LYS A 63 -6.984 5.637 -6.773 1.00 0.00 N ATOM 957 CA LYS A 63 -6.260 5.318 -8.032 1.00 0.00 C ATOM 958 C LYS A 63 -6.038 3.806 -8.132 1.00 0.00 C ATOM 959 O LYS A 63 -6.302 3.198 -9.148 1.00 0.00 O ATOM 960 CB LYS A 63 -4.923 6.050 -7.919 1.00 0.00 C ATOM 961 CG LYS A 63 -5.156 7.559 -8.026 1.00 0.00 C ATOM 962 CD LYS A 63 -3.817 8.290 -7.913 1.00 0.00 C ATOM 963 CE LYS A 63 -4.048 9.799 -8.015 1.00 0.00 C ATOM 964 NZ LYS A 63 -3.190 10.386 -6.948 1.00 0.00 N ATOM 0 H LYS A 63 -6.503 6.278 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.813 5.623 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.445 5.812 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.247 5.719 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.634 7.798 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.831 7.891 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.338 8.048 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.143 7.960 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.770 10.177 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.098 10.050 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.291 11.421 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.483 10.012 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.196 10.135 -7.124 1.00 0.00 H new ATOM 978 N VAL A 64 -5.521 3.205 -7.092 1.00 0.00 N ATOM 979 CA VAL A 64 -5.236 1.739 -7.143 1.00 0.00 C ATOM 980 C VAL A 64 -6.537 0.934 -7.167 1.00 0.00 C ATOM 981 O VAL A 64 -6.712 0.068 -8.000 1.00 0.00 O ATOM 982 CB VAL A 64 -4.433 1.424 -5.876 1.00 0.00 C ATOM 983 CG1 VAL A 64 -5.218 1.846 -4.630 1.00 0.00 C ATOM 984 CG2 VAL A 64 -4.170 -0.081 -5.810 1.00 0.00 C ATOM 0 H VAL A 64 -5.284 3.664 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.684 1.473 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.491 1.972 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.635 1.616 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.414 2.917 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.164 1.305 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.599 -0.311 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.120 -0.615 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.604 -0.390 -6.689 1.00 0.00 H new ATOM 994 N VAL A 65 -7.512 1.319 -6.391 1.00 0.00 N ATOM 995 CA VAL A 65 -8.850 0.680 -6.542 1.00 0.00 C ATOM 996 C VAL A 65 -9.309 0.828 -7.991 1.00 0.00 C ATOM 997 O VAL A 65 -9.962 -0.034 -8.545 1.00 0.00 O ATOM 998 CB VAL A 65 -9.772 1.444 -5.589 1.00 0.00 C ATOM 999 CG1 VAL A 65 -11.233 1.219 -5.991 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.554 0.934 -4.164 1.00 0.00 C ATOM 0 H VAL A 65 -7.444 2.037 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.844 -0.385 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.545 2.509 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.886 1.765 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.390 1.577 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.464 0.155 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.208 1.475 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.783 -0.131 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.515 1.094 -3.875 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.918 1.900 -8.621 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.264 2.101 -10.053 1.00 0.00 C ATOM 1012 C PHE A 66 -8.053 1.788 -10.941 1.00 0.00 C ATOM 1013 O PHE A 66 -8.090 1.961 -12.144 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.659 3.576 -10.146 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.116 3.721 -9.776 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.106 3.604 -10.763 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -11.480 3.971 -8.445 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.459 3.735 -10.418 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -12.832 4.103 -8.100 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.821 3.985 -9.086 1.00 0.00 C ATOM 0 H PHE A 66 -8.370 2.650 -8.201 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.066 1.445 -10.392 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.040 4.174 -9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.489 3.948 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -11.826 3.413 -11.789 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.718 4.062 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.222 3.643 -11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.112 4.296 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.863 4.087 -8.820 1.00 0.00 H new ATOM 1030 N SER A 67 -7.024 1.216 -10.371 1.00 0.00 N ATOM 1031 CA SER A 67 -5.864 0.758 -11.192 1.00 0.00 C ATOM 1032 C SER A 67 -5.916 -0.762 -11.365 1.00 0.00 C ATOM 1033 O SER A 67 -5.969 -1.271 -12.468 1.00 0.00 O ATOM 1034 CB SER A 67 -4.617 1.154 -10.399 1.00 0.00 C ATOM 1035 OG SER A 67 -3.478 1.080 -11.244 1.00 0.00 O ATOM 0 H SER A 67 -6.937 1.046 -9.369 1.00 0.00 H new ATOM 0 HA SER A 67 -5.868 1.203 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.728 2.165 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.492 0.492 -9.542 1.00 0.00 H new ATOM 0 HG SER A 67 -2.678 1.335 -10.738 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.911 -1.491 -10.280 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.970 -2.978 -10.378 1.00 0.00 C ATOM 1043 C CYS A 68 -7.270 -3.500 -9.760 1.00 0.00 C ATOM 1044 O CYS A 68 -7.767 -2.943 -8.801 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.761 -3.476 -9.585 1.00 0.00 C ATOM 1046 SG CYS A 68 -3.269 -3.304 -10.595 1.00 0.00 S ATOM 0 H CYS A 68 -5.869 -1.120 -9.331 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.950 -3.324 -11.412 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.657 -2.905 -8.662 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.903 -4.519 -9.300 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.218 -3.376 -9.833 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.789 -4.550 -10.341 1.00 0.00 N ATOM 1053 CA PRO A 69 -9.056 -5.145 -9.850 1.00 0.00 C ATOM 1054 C PRO A 69 -8.873 -5.713 -8.439 1.00 0.00 C ATOM 1055 O PRO A 69 -8.831 -6.910 -8.258 1.00 0.00 O ATOM 1056 CB PRO A 69 -9.362 -6.267 -10.845 1.00 0.00 C ATOM 1057 CG PRO A 69 -8.430 -6.062 -12.000 1.00 0.00 C ATOM 1058 CD PRO A 69 -7.253 -5.272 -11.497 1.00 0.00 C ATOM 0 HA PRO A 69 -9.862 -4.413 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.209 -7.245 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.401 -6.227 -11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.104 -7.020 -12.404 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.932 -5.530 -12.808 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.425 -5.922 -11.214 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.876 -4.588 -12.257 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.841 -4.847 -7.451 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.742 -5.269 -6.009 1.00 0.00 C ATOM 1068 C VAL A 70 -8.175 -6.680 -5.843 1.00 0.00 C ATOM 1069 O VAL A 70 -8.669 -7.469 -5.063 1.00 0.00 O ATOM 1070 CB VAL A 70 -10.174 -5.199 -5.493 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.748 -3.831 -5.849 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -11.018 -6.297 -6.146 1.00 0.00 C ATOM 0 H VAL A 70 -8.880 -3.837 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.057 -4.625 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.187 -5.344 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.774 -3.762 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.146 -3.051 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.735 -3.701 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.040 -6.241 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.019 -6.161 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.596 -7.273 -5.904 1.00 0.00 H new ATOM 1082 N LEU A 71 -7.119 -6.984 -6.538 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.490 -8.330 -6.396 1.00 0.00 C ATOM 1084 C LEU A 71 -5.102 -8.332 -7.043 1.00 0.00 C ATOM 1085 O LEU A 71 -4.751 -9.230 -7.782 1.00 0.00 O ATOM 1086 CB LEU A 71 -7.423 -9.287 -7.145 1.00 0.00 C ATOM 1087 CG LEU A 71 -8.492 -9.818 -6.188 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -9.846 -9.193 -6.540 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -8.586 -11.339 -6.323 1.00 0.00 C ATOM 0 H LEU A 71 -6.660 -6.359 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.361 -8.616 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.894 -8.771 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.851 -10.116 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.225 -9.558 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.609 -9.570 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.781 -8.109 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.112 -9.455 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.347 -11.718 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.855 -11.597 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.623 -11.786 -6.076 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.309 -7.334 -6.763 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.940 -7.279 -7.354 1.00 0.00 C ATOM 1103 C GLU A 72 -2.129 -6.154 -6.703 1.00 0.00 C ATOM 1104 O GLU A 72 -2.529 -5.007 -6.732 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.162 -6.989 -8.838 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.525 -8.101 -9.675 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.024 -7.838 -9.813 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -0.599 -6.749 -9.465 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -0.325 -8.731 -10.263 1.00 0.00 O ATOM 0 H GLU A 72 -4.549 -6.554 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.384 -8.204 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.229 -6.924 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.725 -6.026 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.694 -9.069 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.990 -8.142 -10.660 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.995 -6.514 -6.162 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.104 -5.509 -5.532 1.00 0.00 C ATOM 1118 C PRO A 73 0.232 -4.400 -6.532 1.00 0.00 C ATOM 1119 O PRO A 73 0.810 -4.644 -7.572 1.00 0.00 O ATOM 1120 CB PRO A 73 1.148 -6.302 -5.161 1.00 0.00 C ATOM 1121 CG PRO A 73 0.722 -7.737 -5.141 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.443 -7.871 -6.087 1.00 0.00 C ATOM 0 HA PRO A 73 -0.557 -5.021 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.945 -6.139 -5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.534 -5.994 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.543 -8.386 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.436 -8.039 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.123 -8.227 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.180 -8.582 -5.714 1.00 0.00 H new ATOM 1130 N THR A 74 -0.129 -3.184 -6.229 1.00 0.00 N ATOM 1131 CA THR A 74 0.167 -2.063 -7.165 1.00 0.00 C ATOM 1132 C THR A 74 0.912 -0.946 -6.433 1.00 0.00 C ATOM 1133 O THR A 74 0.490 -0.482 -5.392 1.00 0.00 O ATOM 1134 CB THR A 74 -1.203 -1.576 -7.638 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.852 -2.620 -8.350 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.031 -0.361 -8.550 1.00 0.00 C ATOM 0 H THR A 74 -0.616 -2.918 -5.373 1.00 0.00 H new ATOM 0 HA THR A 74 0.800 -2.372 -7.996 1.00 0.00 H new ATOM 0 HB THR A 74 -1.807 -1.293 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.604 -2.251 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.009 -0.016 -8.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.533 0.438 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.428 -0.638 -9.415 1.00 0.00 H new ATOM 1144 N GLY A 75 2.021 -0.512 -6.967 1.00 0.00 N ATOM 1145 CA GLY A 75 2.795 0.571 -6.301 1.00 0.00 C ATOM 1146 C GLY A 75 4.294 0.343 -6.530 1.00 0.00 C ATOM 1147 O GLY A 75 4.676 -0.593 -7.204 1.00 0.00 O ATOM 0 H GLY A 75 2.424 -0.862 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.499 1.542 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.577 0.584 -5.233 1.00 0.00 H new ATOM 1151 N PRO A 76 5.103 1.204 -5.957 1.00 0.00 N ATOM 1152 CA PRO A 76 4.590 2.336 -5.140 1.00 0.00 C ATOM 1153 C PRO A 76 3.922 3.385 -6.037 1.00 0.00 C ATOM 1154 O PRO A 76 4.073 3.371 -7.243 1.00 0.00 O ATOM 1155 CB PRO A 76 5.845 2.891 -4.468 1.00 0.00 C ATOM 1156 CG PRO A 76 6.976 2.483 -5.358 1.00 0.00 C ATOM 1157 CD PRO A 76 6.570 1.194 -6.024 1.00 0.00 C ATOM 0 HA PRO A 76 3.830 2.038 -4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.793 3.975 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.967 2.485 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.179 3.254 -6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.891 2.348 -4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.922 1.150 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.987 0.330 -5.507 1.00 0.00 H new ATOM 1165 N LEU A 77 3.114 4.236 -5.465 1.00 0.00 N ATOM 1166 CA LEU A 77 2.351 5.218 -6.293 1.00 0.00 C ATOM 1167 C LEU A 77 2.420 6.610 -5.658 1.00 0.00 C ATOM 1168 O LEU A 77 2.682 6.749 -4.482 1.00 0.00 O ATOM 1169 CB LEU A 77 0.912 4.702 -6.291 1.00 0.00 C ATOM 1170 CG LEU A 77 0.081 5.496 -7.301 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.172 4.698 -7.669 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.331 6.835 -6.682 1.00 0.00 C ATOM 0 H LEU A 77 2.948 4.295 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 77 2.752 5.307 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.895 3.642 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.482 4.799 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 77 0.674 5.677 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.765 5.263 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.880 3.744 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.765 4.518 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.923 7.401 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.924 6.654 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.561 7.404 -6.418 1.00 0.00 H new ATOM 1184 N HIS A 78 2.259 7.641 -6.440 1.00 0.00 N ATOM 1185 CA HIS A 78 2.398 9.019 -5.886 1.00 0.00 C ATOM 1186 C HIS A 78 1.189 9.380 -5.019 1.00 0.00 C ATOM 1187 O HIS A 78 0.055 9.308 -5.451 1.00 0.00 O ATOM 1188 CB HIS A 78 2.470 9.932 -7.110 1.00 0.00 C ATOM 1189 CG HIS A 78 3.792 9.732 -7.798 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.897 9.120 -9.037 1.00 0.00 N ATOM 1191 CD2 HIS A 78 5.073 10.055 -7.428 1.00 0.00 C ATOM 1192 CE1 HIS A 78 5.202 9.093 -9.365 1.00 0.00 C ATOM 1193 NE2 HIS A 78 5.963 9.651 -8.419 1.00 0.00 N ATOM 0 H HIS A 78 2.038 7.591 -7.435 1.00 0.00 H new ATOM 0 HA HIS A 78 3.277 9.114 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.652 9.707 -7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.357 10.973 -6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.349 10.548 -6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.587 8.671 -10.282 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.977 9.758 -8.422 1.00 0.00 H new ATOM 1201 N THR A 79 1.433 9.850 -3.826 1.00 0.00 N ATOM 1202 CA THR A 79 0.313 10.313 -2.955 1.00 0.00 C ATOM 1203 C THR A 79 0.760 11.525 -2.134 1.00 0.00 C ATOM 1204 O THR A 79 1.936 11.801 -2.008 1.00 0.00 O ATOM 1205 CB THR A 79 -0.004 9.133 -2.033 1.00 0.00 C ATOM 1206 OG1 THR A 79 -1.120 9.463 -1.216 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.207 8.834 -1.148 1.00 0.00 C ATOM 0 H THR A 79 2.363 9.934 -3.415 1.00 0.00 H new ATOM 0 HA THR A 79 -0.559 10.615 -3.535 1.00 0.00 H new ATOM 0 HB THR A 79 -0.237 8.253 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.175 8.833 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.980 7.994 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.063 8.584 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.443 9.711 -0.545 1.00 0.00 H new ATOM 1215 N GLN A 80 -0.167 12.252 -1.578 1.00 0.00 N ATOM 1216 CA GLN A 80 0.208 13.450 -0.773 1.00 0.00 C ATOM 1217 C GLN A 80 1.096 13.038 0.406 1.00 0.00 C ATOM 1218 O GLN A 80 1.798 13.848 0.979 1.00 0.00 O ATOM 1219 CB GLN A 80 -1.118 14.020 -0.267 1.00 0.00 C ATOM 1220 CG GLN A 80 -1.909 14.598 -1.442 1.00 0.00 C ATOM 1221 CD GLN A 80 -3.281 15.065 -0.952 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -3.672 14.779 0.161 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -4.035 15.776 -1.747 1.00 0.00 N ATOM 0 H GLN A 80 -1.168 12.070 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 80 0.770 14.179 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.697 13.239 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.932 14.795 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.366 15.433 -1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.026 13.845 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.706 16.016 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.953 16.091 -1.433 1.00 0.00 H new ATOM 1232 N PHE A 81 0.998 11.808 0.831 1.00 0.00 N ATOM 1233 CA PHE A 81 1.753 11.369 2.042 1.00 0.00 C ATOM 1234 C PHE A 81 3.168 10.911 1.669 1.00 0.00 C ATOM 1235 O PHE A 81 3.909 10.429 2.502 1.00 0.00 O ATOM 1236 CB PHE A 81 0.954 10.188 2.591 1.00 0.00 C ATOM 1237 CG PHE A 81 -0.425 10.646 3.002 1.00 0.00 C ATOM 1238 CD1 PHE A 81 -1.477 10.620 2.075 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.656 11.088 4.312 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -2.760 11.036 2.458 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.939 11.505 4.695 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.991 11.479 3.768 1.00 0.00 C ATOM 0 H PHE A 81 0.427 11.086 0.392 1.00 0.00 H new ATOM 0 HA PHE A 81 1.863 12.178 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.877 9.407 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.472 9.753 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.299 10.279 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.154 11.107 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.570 11.015 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.117 11.846 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.979 11.800 4.063 1.00 0.00 H new ATOM 1252 N GLY A 82 3.510 10.947 0.410 1.00 0.00 N ATOM 1253 CA GLY A 82 4.826 10.391 -0.017 1.00 0.00 C ATOM 1254 C GLY A 82 4.590 9.325 -1.088 1.00 0.00 C ATOM 1255 O GLY A 82 3.703 9.447 -1.911 1.00 0.00 O ATOM 0 H GLY A 82 2.938 11.336 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.461 11.185 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.347 9.958 0.837 1.00 0.00 H new ATOM 1259 N TYR A 83 5.290 8.228 -1.010 1.00 0.00 N ATOM 1260 CA TYR A 83 5.003 7.098 -1.938 1.00 0.00 C ATOM 1261 C TYR A 83 4.157 6.038 -1.225 1.00 0.00 C ATOM 1262 O TYR A 83 4.493 5.586 -0.151 1.00 0.00 O ATOM 1263 CB TYR A 83 6.373 6.533 -2.319 1.00 0.00 C ATOM 1264 CG TYR A 83 7.072 7.496 -3.248 1.00 0.00 C ATOM 1265 CD1 TYR A 83 6.589 7.685 -4.551 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.202 8.202 -2.810 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.236 8.579 -5.416 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.849 9.095 -3.676 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.366 9.283 -4.978 1.00 0.00 C ATOM 1270 OH TYR A 83 9.003 10.162 -5.831 1.00 0.00 O ATOM 0 H TYR A 83 6.047 8.065 -0.346 1.00 0.00 H new ATOM 0 HA TYR A 83 4.442 7.415 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 83 6.974 6.373 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.257 5.563 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.719 7.142 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.574 8.058 -1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 83 6.864 8.725 -6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.720 9.638 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 83 9.019 9.786 -6.736 1.00 0.00 H new ATOM 1280 N HIS A 84 3.083 5.615 -1.830 1.00 0.00 N ATOM 1281 CA HIS A 84 2.241 4.555 -1.198 1.00 0.00 C ATOM 1282 C HIS A 84 2.221 3.298 -2.066 1.00 0.00 C ATOM 1283 O HIS A 84 1.714 3.310 -3.170 1.00 0.00 O ATOM 1284 CB HIS A 84 0.827 5.138 -1.108 1.00 0.00 C ATOM 1285 CG HIS A 84 0.695 5.970 0.137 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.402 6.786 0.362 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.503 6.116 1.236 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.227 7.380 1.555 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.919 7.007 2.131 1.00 0.00 N ATOM 0 H HIS A 84 2.750 5.955 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 84 2.632 4.275 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.619 5.748 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.092 4.333 -1.097 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.197 6.913 -0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.449 5.616 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.928 8.074 1.994 1.00 0.00 H new ATOM 1297 N ILE A 85 2.594 2.178 -1.512 1.00 0.00 N ATOM 1298 CA ILE A 85 2.388 0.899 -2.250 1.00 0.00 C ATOM 1299 C ILE A 85 1.294 0.081 -1.563 1.00 0.00 C ATOM 1300 O ILE A 85 1.250 -0.007 -0.352 1.00 0.00 O ATOM 1301 CB ILE A 85 3.733 0.174 -2.192 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.708 -1.009 -3.166 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.978 -0.338 -0.772 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.129 -1.320 -3.645 1.00 0.00 C ATOM 0 H ILE A 85 3.027 2.092 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 85 2.071 1.058 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 85 4.532 0.861 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.280 -1.884 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.070 -0.776 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.937 -0.855 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.990 0.503 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.182 -1.028 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.104 -2.162 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.542 -0.447 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.754 -1.573 -2.789 1.00 0.00 H new ATOM 1316 N ILE A 86 0.329 -0.389 -2.307 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.846 -1.042 -1.662 1.00 0.00 C ATOM 1318 C ILE A 86 -1.264 -2.297 -2.435 1.00 0.00 C ATOM 1319 O ILE A 86 -1.491 -2.245 -3.628 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.965 0.002 -1.734 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.436 1.368 -1.290 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.113 -0.420 -0.815 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.466 2.447 -1.635 1.00 0.00 C ATOM 0 H ILE A 86 0.303 -0.350 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.623 -1.353 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.322 0.073 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.242 1.364 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.489 1.582 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.910 0.322 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.498 -1.388 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.750 -0.494 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.092 3.421 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.638 2.455 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.403 2.234 -1.120 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.585 -3.355 -1.739 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.245 -4.504 -2.422 1.00 0.00 C ATOM 1337 C LYS A 87 -3.695 -4.615 -1.940 1.00 0.00 C ATOM 1338 O LYS A 87 -3.994 -4.368 -0.788 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.438 -5.742 -2.024 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.424 -5.876 -0.505 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.969 -7.285 -0.120 1.00 0.00 C ATOM 1342 CE LYS A 87 0.450 -7.527 -0.636 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.637 -9.002 -0.555 1.00 0.00 N ATOM 0 H LYS A 87 -1.421 -3.473 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.270 -4.388 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.875 -6.634 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.419 -5.661 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.754 -5.135 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.418 -5.681 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.998 -7.404 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.650 -8.025 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.565 -7.169 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.187 -7.001 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.632 -9.214 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.029 -9.388 0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.381 -9.435 -1.465 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.610 -4.811 -2.850 1.00 0.00 N ATOM 1358 CA VAL A 88 -6.057 -4.732 -2.488 1.00 0.00 C ATOM 1359 C VAL A 88 -6.699 -6.123 -2.551 1.00 0.00 C ATOM 1360 O VAL A 88 -6.314 -6.957 -3.344 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.661 -3.808 -3.543 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -8.127 -3.531 -3.204 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.885 -2.490 -3.571 1.00 0.00 C ATOM 0 H VAL A 88 -4.419 -5.023 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.218 -4.363 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.600 -4.286 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.556 -2.871 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.680 -4.470 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.190 -3.054 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.316 -1.830 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.944 -2.012 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.841 -2.687 -3.816 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.622 -6.408 -1.666 1.00 0.00 N ATOM 1374 CA LEU A 89 -8.211 -7.766 -1.620 1.00 0.00 C ATOM 1375 C LEU A 89 -9.729 -7.680 -1.357 1.00 0.00 C ATOM 1376 O LEU A 89 -10.147 -7.152 -0.347 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.523 -8.444 -0.435 1.00 0.00 C ATOM 1378 CG LEU A 89 -6.005 -8.359 -0.597 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.328 -9.041 0.595 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.586 -9.064 -1.889 1.00 0.00 C ATOM 0 H LEU A 89 -7.988 -5.753 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.072 -8.307 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.826 -7.964 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.833 -9.487 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.704 -7.312 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.246 -8.982 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.624 -8.541 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.632 -10.087 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.504 -9.002 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.887 -10.111 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.068 -8.582 -2.739 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.525 -8.349 -2.159 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.993 -8.516 -1.863 1.00 0.00 C ATOM 1394 C TYR A 90 -12.803 -7.282 -2.280 1.00 0.00 C ATOM 1395 O TYR A 90 -14.001 -7.356 -2.466 1.00 0.00 O ATOM 1396 CB TYR A 90 -12.107 -8.757 -0.353 1.00 0.00 C ATOM 1397 CG TYR A 90 -13.412 -9.455 -0.052 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -13.537 -10.833 -0.278 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -14.497 -8.725 0.455 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -14.748 -11.482 0.002 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -15.709 -9.375 0.735 1.00 0.00 C ATOM 1402 CZ TYR A 90 -15.833 -10.753 0.508 1.00 0.00 C ATOM 1403 OH TYR A 90 -17.026 -11.392 0.784 1.00 0.00 O ATOM 0 H TYR A 90 -10.217 -8.796 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.402 -9.351 -2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.270 -9.363 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.057 -7.809 0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.701 -11.394 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.400 -7.664 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.845 -12.543 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -16.545 -8.814 1.125 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.673 -10.742 1.129 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.187 -6.136 -2.340 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.957 -4.895 -2.640 1.00 0.00 C ATOM 1415 C ARG A 91 -14.035 -4.683 -1.572 1.00 0.00 C ATOM 1416 O ARG A 91 -13.988 -5.262 -0.508 1.00 0.00 O ATOM 1417 CB ARG A 91 -13.603 -5.145 -4.007 1.00 0.00 C ATOM 1418 CG ARG A 91 -13.824 -3.813 -4.732 1.00 0.00 C ATOM 1419 CD ARG A 91 -15.159 -3.857 -5.480 1.00 0.00 C ATOM 1420 NE ARG A 91 -14.931 -4.793 -6.617 1.00 0.00 N ATOM 1421 CZ ARG A 91 -14.331 -4.381 -7.703 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.908 -3.148 -7.796 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -14.148 -5.207 -8.697 1.00 0.00 N ATOM 0 H ARG A 91 -11.186 -6.003 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.326 -4.006 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.965 -5.794 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.554 -5.662 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.823 -2.992 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.009 -3.627 -5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.963 -4.209 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.446 -2.867 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.245 -5.761 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.045 -2.502 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.440 -2.832 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.473 -6.171 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.680 -4.888 -9.545 1.00 0.00 H new ATOM 1437 N ASN A 92 -15.037 -3.902 -1.867 1.00 0.00 N ATOM 1438 CA ASN A 92 -16.137 -3.702 -0.883 1.00 0.00 C ATOM 1439 C ASN A 92 -17.279 -4.682 -1.156 1.00 0.00 C ATOM 1440 O ASN A 92 -17.711 -4.755 -2.295 1.00 0.00 O ATOM 1441 CB ASN A 92 -16.598 -2.261 -1.100 1.00 0.00 C ATOM 1442 CG ASN A 92 -15.447 -1.302 -0.791 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -15.224 -0.945 0.444 1.00 0.00 O flip ATOM 1444 ND2 ASN A 92 -14.745 -0.869 -1.683 1.00 0.00 N flip ATOM 1445 OXT ASN A 92 -17.703 -5.344 -0.223 1.00 0.00 O ATOM 0 H ASN A 92 -15.142 -3.394 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.813 -3.877 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.931 -2.126 -2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.451 -2.041 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.918 -1.147 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.982 -0.227 -1.466 1.00 0.00 H new TER 1452 ASN A 92