USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 911 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 75 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.19) USER MOD Set 1.2: A 79 THR OG1 : rot -130:sc= 0.00175 USER MOD Set 2.1: A 47 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.035) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0161 (180deg=-0.294) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 25 CYS SG : rot 59:sc= -0.546 USER MOD Single : A 27 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.21) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -6.96! C(o=-7!,f=-8.9!) USER MOD Single : A 39 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 52 SER OG : rot 38:sc= -0.504 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00538) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0644 F(o=-0.68,f=-0.064) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 67 ASN : amide:sc=-0.00588 K(o=-0.0059,f=-0.52) USER MOD Single : A 72 GLN : amide:sc= 0.00226 X(o=0.0023,f=0) USER MOD Single : A 74 ASN : amide:sc=-0.000615 X(o=-0.00061,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -113:sc= -0.017 (180deg=-0.657) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.116 F(o=-0.9,f=-0.12) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.0941 (180deg=-0.479) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 155:sc= 0.114 USER MOD Single : A 105 HIS : no HD1:sc=-0.00631 X(o=-0.0063,f=-0.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.191 14.816 -10.931 1.00 14.04 N ATOM 2 CA GLY A 1 13.835 13.474 -10.942 1.00 13.85 C ATOM 3 C GLY A 1 15.021 13.394 -10.002 1.00 13.29 C ATOM 4 O GLY A 1 14.935 12.791 -8.932 1.00 13.45 O ATOM 0 H1 GLY A 1 12.386 14.820 -11.589 1.00 14.04 H new ATOM 0 H2 GLY A 1 12.854 15.032 -9.971 1.00 14.04 H new ATOM 0 H3 GLY A 1 13.882 15.535 -11.225 1.00 14.04 H new ATOM 0 HA2 GLY A 1 13.101 12.719 -10.661 1.00 13.85 H new ATOM 0 HA3 GLY A 1 14.161 13.239 -11.955 1.00 13.85 H new ATOM 10 N SER A 2 16.132 14.006 -10.402 1.00 12.81 N ATOM 11 CA SER A 2 17.342 14.004 -9.589 1.00 12.44 C ATOM 12 C SER A 2 17.646 15.404 -9.066 1.00 11.66 C ATOM 13 O SER A 2 18.596 15.600 -8.307 1.00 11.62 O ATOM 14 CB SER A 2 18.528 13.481 -10.403 1.00 13.00 C ATOM 15 OG SER A 2 18.433 12.081 -10.602 1.00 13.39 O ATOM 0 H SER A 2 16.218 14.510 -11.285 1.00 12.81 H new ATOM 0 HA SER A 2 17.177 13.345 -8.737 1.00 12.44 H new ATOM 0 HB2 SER A 2 18.562 13.987 -11.368 1.00 13.00 H new ATOM 0 HB3 SER A 2 19.459 13.716 -9.887 1.00 13.00 H new ATOM 0 HG SER A 2 19.201 11.772 -11.126 1.00 13.39 H new ATOM 21 N HIS A 3 16.833 16.373 -9.477 1.00 11.24 N ATOM 22 CA HIS A 3 17.014 17.756 -9.051 1.00 10.68 C ATOM 23 C HIS A 3 16.288 18.022 -7.735 1.00 9.83 C ATOM 24 O HIS A 3 16.918 18.186 -6.690 1.00 9.74 O ATOM 25 CB HIS A 3 16.506 18.715 -10.130 1.00 11.22 C ATOM 26 CG HIS A 3 17.502 19.763 -10.517 1.00 11.78 C ATOM 27 ND1 HIS A 3 17.543 21.013 -9.938 1.00 12.09 N ATOM 28 CD2 HIS A 3 18.501 19.741 -11.432 1.00 12.30 C ATOM 29 CE1 HIS A 3 18.522 21.717 -10.480 1.00 12.74 C ATOM 30 NE2 HIS A 3 19.118 20.967 -11.388 1.00 12.87 N ATOM 0 H HIS A 3 16.043 16.225 -10.105 1.00 11.24 H new ATOM 0 HA HIS A 3 18.080 17.925 -8.897 1.00 10.68 H new ATOM 0 HB2 HIS A 3 16.233 18.141 -11.015 1.00 11.22 H new ATOM 0 HB3 HIS A 3 15.598 19.202 -9.773 1.00 11.22 H new ATOM 0 HD2 HIS A 3 18.763 18.914 -12.075 1.00 12.30 H new ATOM 0 HE1 HIS A 3 18.788 22.732 -10.224 1.00 12.74 H new ATOM 0 HE2 HIS A 3 19.910 21.252 -11.964 1.00 12.87 H new ATOM 39 N MET A 4 14.960 18.061 -7.793 1.00 9.43 N ATOM 40 CA MET A 4 14.149 18.307 -6.606 1.00 8.83 C ATOM 41 C MET A 4 14.122 17.080 -5.702 1.00 8.04 C ATOM 42 O MET A 4 13.699 16.000 -6.117 1.00 8.16 O ATOM 43 CB MET A 4 12.723 18.691 -7.008 1.00 9.24 C ATOM 44 CG MET A 4 12.505 20.190 -7.117 1.00 9.89 C ATOM 45 SD MET A 4 11.988 20.699 -8.769 1.00 10.81 S ATOM 46 CE MET A 4 11.921 22.478 -8.570 1.00 11.46 C ATOM 0 H MET A 4 14.423 17.925 -8.650 1.00 9.43 H new ATOM 0 HA MET A 4 14.598 19.132 -6.054 1.00 8.83 H new ATOM 0 HB2 MET A 4 12.487 18.227 -7.966 1.00 9.24 H new ATOM 0 HB3 MET A 4 12.026 18.283 -6.276 1.00 9.24 H new ATOM 0 HG2 MET A 4 11.750 20.497 -6.394 1.00 9.89 H new ATOM 0 HG3 MET A 4 13.427 20.707 -6.854 1.00 9.89 H new ATOM 0 HE1 MET A 4 11.615 22.938 -9.510 1.00 11.46 H new ATOM 0 HE2 MET A 4 11.201 22.730 -7.791 1.00 11.46 H new ATOM 0 HE3 MET A 4 12.906 22.850 -8.288 1.00 11.46 H new ATOM 56 N SER A 5 14.576 17.252 -4.463 1.00 7.48 N ATOM 57 CA SER A 5 14.605 16.157 -3.500 1.00 6.96 C ATOM 58 C SER A 5 13.413 16.235 -2.551 1.00 5.97 C ATOM 59 O SER A 5 12.634 15.287 -2.441 1.00 5.85 O ATOM 60 CB SER A 5 15.908 16.188 -2.701 1.00 7.28 C ATOM 61 OG SER A 5 17.023 16.406 -3.549 1.00 7.75 O ATOM 0 H SER A 5 14.928 18.139 -4.103 1.00 7.48 H new ATOM 0 HA SER A 5 14.547 15.219 -4.053 1.00 6.96 H new ATOM 0 HB2 SER A 5 15.859 16.977 -1.950 1.00 7.28 H new ATOM 0 HB3 SER A 5 16.033 15.246 -2.166 1.00 7.28 H new ATOM 0 HG SER A 5 17.843 16.423 -3.013 1.00 7.75 H new ATOM 67 N HIS A 6 13.279 17.370 -1.870 1.00 5.62 N ATOM 68 CA HIS A 6 12.184 17.577 -0.926 1.00 5.03 C ATOM 69 C HIS A 6 12.136 16.456 0.108 1.00 4.34 C ATOM 70 O HIS A 6 11.356 15.511 -0.021 1.00 4.70 O ATOM 71 CB HIS A 6 10.848 17.667 -1.668 1.00 5.60 C ATOM 72 CG HIS A 6 10.257 19.043 -1.667 1.00 6.21 C ATOM 73 ND1 HIS A 6 9.643 19.598 -0.562 1.00 6.80 N ATOM 74 CD2 HIS A 6 10.187 19.979 -2.643 1.00 6.70 C ATOM 75 CE1 HIS A 6 9.221 20.815 -0.860 1.00 7.53 C ATOM 76 NE2 HIS A 6 9.539 21.069 -2.116 1.00 7.49 N ATOM 0 H HIS A 6 13.916 18.162 -1.954 1.00 5.62 H new ATOM 0 HA HIS A 6 12.362 18.518 -0.404 1.00 5.03 H new ATOM 0 HB2 HIS A 6 10.991 17.342 -2.699 1.00 5.60 H new ATOM 0 HB3 HIS A 6 10.140 16.976 -1.211 1.00 5.60 H new ATOM 0 HD2 HIS A 6 10.570 19.886 -3.649 1.00 6.70 H new ATOM 0 HE1 HIS A 6 8.704 21.487 -0.190 1.00 7.53 H new ATOM 0 HE2 HIS A 6 9.336 21.935 -2.615 1.00 7.49 H new ATOM 85 N LEU A 7 12.977 16.571 1.134 1.00 3.79 N ATOM 86 CA LEU A 7 13.041 15.572 2.198 1.00 3.54 C ATOM 87 C LEU A 7 13.352 14.187 1.631 1.00 3.05 C ATOM 88 O LEU A 7 14.517 13.837 1.436 1.00 3.39 O ATOM 89 CB LEU A 7 11.727 15.543 2.984 1.00 4.07 C ATOM 90 CG LEU A 7 11.392 16.837 3.727 1.00 4.94 C ATOM 91 CD1 LEU A 7 10.454 17.701 2.899 1.00 5.66 C ATOM 92 CD2 LEU A 7 10.776 16.529 5.084 1.00 5.67 C ATOM 0 H LEU A 7 13.626 17.349 1.251 1.00 3.79 H new ATOM 0 HA LEU A 7 13.848 15.851 2.875 1.00 3.54 H new ATOM 0 HB2 LEU A 7 10.913 15.316 2.295 1.00 4.07 H new ATOM 0 HB3 LEU A 7 11.770 14.728 3.706 1.00 4.07 H new ATOM 0 HG LEU A 7 12.317 17.391 3.887 1.00 4.94 H new ATOM 0 HD11 LEU A 7 10.227 18.617 3.444 1.00 5.66 H new ATOM 0 HD12 LEU A 7 10.931 17.951 1.951 1.00 5.66 H new ATOM 0 HD13 LEU A 7 9.530 17.155 2.707 1.00 5.66 H new ATOM 0 HD21 LEU A 7 10.544 17.462 5.598 1.00 5.67 H new ATOM 0 HD22 LEU A 7 9.861 15.953 4.946 1.00 5.67 H new ATOM 0 HD23 LEU A 7 11.481 15.951 5.681 1.00 5.67 H new ATOM 104 N ASP A 8 12.309 13.402 1.369 1.00 2.65 N ATOM 105 CA ASP A 8 12.481 12.059 0.826 1.00 2.38 C ATOM 106 C ASP A 8 11.151 11.493 0.339 1.00 2.22 C ATOM 107 O ASP A 8 10.485 10.739 1.049 1.00 2.74 O ATOM 108 CB ASP A 8 13.088 11.132 1.883 1.00 2.57 C ATOM 109 CG ASP A 8 14.118 10.186 1.298 1.00 3.32 C ATOM 110 OD1 ASP A 8 15.310 10.556 1.261 1.00 3.77 O ATOM 111 OD2 ASP A 8 13.732 9.076 0.876 1.00 3.86 O ATOM 0 H ASP A 8 11.338 13.673 1.524 1.00 2.65 H new ATOM 0 HA ASP A 8 13.160 12.123 -0.024 1.00 2.38 H new ATOM 0 HB2 ASP A 8 13.553 11.732 2.665 1.00 2.57 H new ATOM 0 HB3 ASP A 8 12.294 10.554 2.355 1.00 2.57 H new ATOM 116 N ASN A 9 10.768 11.864 -0.880 1.00 1.98 N ATOM 117 CA ASN A 9 9.518 11.393 -1.467 1.00 2.16 C ATOM 118 C ASN A 9 9.785 10.530 -2.693 1.00 1.77 C ATOM 119 O ASN A 9 10.569 10.902 -3.568 1.00 2.00 O ATOM 120 CB ASN A 9 8.632 12.580 -1.847 1.00 2.89 C ATOM 121 CG ASN A 9 7.559 12.856 -0.812 1.00 3.63 C ATOM 122 OD1 ASN A 9 7.795 12.733 0.390 1.00 4.06 O ATOM 123 ND2 ASN A 9 6.372 13.228 -1.274 1.00 4.31 N ATOM 0 H ASN A 9 11.306 12.489 -1.480 1.00 1.98 H new ATOM 0 HA ASN A 9 9.001 10.786 -0.724 1.00 2.16 H new ATOM 0 HB2 ASN A 9 9.252 13.468 -1.969 1.00 2.89 H new ATOM 0 HB3 ASN A 9 8.162 12.385 -2.811 1.00 2.89 H new ATOM 0 HD21 ASN A 9 5.611 13.425 -0.624 1.00 4.31 H new ATOM 0 HD22 ASN A 9 6.221 13.317 -2.279 1.00 4.31 H new ATOM 130 N THR A 10 9.129 9.376 -2.753 1.00 1.51 N ATOM 131 CA THR A 10 9.296 8.461 -3.874 1.00 1.25 C ATOM 132 C THR A 10 8.263 8.733 -4.963 1.00 1.22 C ATOM 133 O THR A 10 7.454 9.653 -4.848 1.00 1.93 O ATOM 134 CB THR A 10 9.180 6.992 -3.425 1.00 1.11 C ATOM 135 OG1 THR A 10 8.896 6.930 -2.022 1.00 1.23 O ATOM 136 CG2 THR A 10 10.466 6.234 -3.720 1.00 1.18 C ATOM 0 H THR A 10 8.477 9.053 -2.038 1.00 1.51 H new ATOM 0 HA THR A 10 10.296 8.631 -4.274 1.00 1.25 H new ATOM 0 HB THR A 10 8.366 6.527 -3.982 1.00 1.11 H new ATOM 0 HG1 THR A 10 8.822 5.993 -1.744 1.00 1.23 H new ATOM 0 HG21 THR A 10 10.361 5.199 -3.395 1.00 1.18 H new ATOM 0 HG22 THR A 10 10.666 6.259 -4.791 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.294 6.700 -3.186 1.00 1.18 H new ATOM 144 N MET A 11 8.301 7.928 -6.020 1.00 0.77 N ATOM 145 CA MET A 11 7.372 8.079 -7.134 1.00 0.68 C ATOM 146 C MET A 11 5.923 8.021 -6.654 1.00 0.61 C ATOM 147 O MET A 11 5.565 7.175 -5.834 1.00 0.63 O ATOM 148 CB MET A 11 7.617 6.992 -8.181 1.00 0.70 C ATOM 149 CG MET A 11 7.517 5.579 -7.627 1.00 0.72 C ATOM 150 SD MET A 11 8.566 4.411 -8.510 1.00 1.23 S ATOM 151 CE MET A 11 7.402 3.088 -8.834 1.00 0.74 C ATOM 0 H MET A 11 8.967 7.163 -6.128 1.00 0.77 H new ATOM 0 HA MET A 11 7.545 9.056 -7.585 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.895 7.108 -8.989 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.607 7.134 -8.615 1.00 0.70 H new ATOM 0 HG2 MET A 11 7.795 5.586 -6.573 1.00 0.72 H new ATOM 0 HG3 MET A 11 6.481 5.244 -7.682 1.00 0.72 H new ATOM 0 HE1 MET A 11 7.804 2.430 -9.604 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.236 2.518 -7.920 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.457 3.510 -9.175 1.00 0.74 H new ATOM 161 N ALA A 12 5.100 8.933 -7.166 1.00 0.57 N ATOM 162 CA ALA A 12 3.688 8.988 -6.802 1.00 0.56 C ATOM 163 C ALA A 12 3.020 7.633 -6.970 1.00 0.48 C ATOM 164 O ALA A 12 3.312 6.890 -7.905 1.00 0.46 O ATOM 165 CB ALA A 12 2.969 10.041 -7.632 1.00 0.62 C ATOM 0 H ALA A 12 5.389 9.646 -7.836 1.00 0.57 H new ATOM 0 HA ALA A 12 3.623 9.264 -5.749 1.00 0.56 H new ATOM 0 HB1 ALA A 12 1.917 10.071 -7.350 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.421 11.017 -7.452 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.054 9.791 -8.690 1.00 0.62 H new ATOM 171 N ILE A 13 2.124 7.326 -6.045 1.00 0.46 N ATOM 172 CA ILE A 13 1.396 6.069 -6.062 1.00 0.44 C ATOM 173 C ILE A 13 0.629 5.895 -7.371 1.00 0.43 C ATOM 174 O ILE A 13 0.474 4.778 -7.866 1.00 0.45 O ATOM 175 CB ILE A 13 0.423 6.003 -4.870 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.191 5.694 -3.582 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.670 4.966 -5.107 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.337 5.750 -2.332 1.00 0.58 C ATOM 0 H ILE A 13 1.883 7.938 -5.266 1.00 0.46 H new ATOM 0 HA ILE A 13 2.120 5.258 -5.980 1.00 0.44 H new ATOM 0 HB ILE A 13 -0.060 6.975 -4.768 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.634 4.702 -3.664 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.013 6.403 -3.481 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.341 4.942 -4.249 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.234 5.230 -6.002 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.217 3.984 -5.240 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.951 5.520 -1.461 1.00 0.58 H new ATOM 0 HD12 ILE A 13 -0.085 6.749 -2.224 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.470 5.021 -2.410 1.00 0.58 H new ATOM 190 N ARG A 14 0.154 7.006 -7.928 1.00 0.47 N ATOM 191 CA ARG A 14 -0.593 6.975 -9.182 1.00 0.53 C ATOM 192 C ARG A 14 0.216 6.291 -10.281 1.00 0.51 C ATOM 193 O ARG A 14 -0.343 5.649 -11.169 1.00 0.66 O ATOM 194 CB ARG A 14 -0.965 8.394 -9.614 1.00 0.62 C ATOM 195 CG ARG A 14 0.225 9.335 -9.704 1.00 1.28 C ATOM 196 CD ARG A 14 0.487 9.767 -11.137 1.00 1.42 C ATOM 197 NE ARG A 14 0.516 11.221 -11.272 1.00 1.82 N ATOM 198 CZ ARG A 14 -0.317 11.908 -12.049 1.00 2.23 C ATOM 199 NH1 ARG A 14 -1.243 11.277 -12.759 1.00 2.63 N ATOM 200 NH2 ARG A 14 -0.225 13.230 -12.116 1.00 2.82 N ATOM 0 H ARG A 14 0.273 7.938 -7.531 1.00 0.47 H new ATOM 0 HA ARG A 14 -1.506 6.402 -9.018 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -1.458 8.352 -10.585 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -1.688 8.802 -8.907 1.00 0.62 H new ATOM 0 HG2 ARG A 14 0.043 10.214 -9.086 1.00 1.28 H new ATOM 0 HG3 ARG A 14 1.111 8.842 -9.304 1.00 1.28 H new ATOM 0 HD2 ARG A 14 1.437 9.352 -11.473 1.00 1.42 H new ATOM 0 HD3 ARG A 14 -0.287 9.358 -11.787 1.00 1.42 H new ATOM 0 HE ARG A 14 1.215 11.739 -10.740 1.00 1.82 H new ATOM 0 HH11 ARG A 14 -1.318 10.261 -12.710 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -1.880 11.808 -13.353 1.00 2.63 H new ATOM 0 HH21 ARG A 14 0.485 13.720 -11.572 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -0.864 13.756 -12.712 1.00 2.82 H new ATOM 214 N LEU A 15 1.535 6.435 -10.212 1.00 0.43 N ATOM 215 CA LEU A 15 2.425 5.832 -11.196 1.00 0.46 C ATOM 216 C LEU A 15 2.520 4.323 -10.992 1.00 0.42 C ATOM 217 O LEU A 15 2.670 3.568 -11.953 1.00 0.44 O ATOM 218 CB LEU A 15 3.817 6.458 -11.108 1.00 0.54 C ATOM 219 CG LEU A 15 4.862 5.873 -12.062 1.00 0.64 C ATOM 220 CD1 LEU A 15 4.301 5.739 -13.472 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.109 6.741 -12.069 1.00 1.51 C ATOM 0 H LEU A 15 2.012 6.965 -9.483 1.00 0.43 H new ATOM 0 HA LEU A 15 2.011 6.022 -12.186 1.00 0.46 H new ATOM 0 HB2 LEU A 15 3.729 7.527 -11.304 1.00 0.54 H new ATOM 0 HB3 LEU A 15 4.181 6.350 -10.086 1.00 0.54 H new ATOM 0 HG LEU A 15 5.127 4.877 -11.708 1.00 0.64 H new ATOM 0 HD11 LEU A 15 5.064 5.321 -14.129 1.00 1.44 H new ATOM 0 HD12 LEU A 15 3.434 5.079 -13.457 1.00 1.44 H new ATOM 0 HD13 LEU A 15 4.003 6.721 -13.840 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.845 6.315 -12.751 1.00 1.51 H new ATOM 0 HD22 LEU A 15 5.850 7.748 -12.397 1.00 1.51 H new ATOM 0 HD23 LEU A 15 6.528 6.784 -11.064 1.00 1.51 H new ATOM 233 N LEU A 16 2.431 3.894 -9.736 1.00 0.38 N ATOM 234 CA LEU A 16 2.509 2.476 -9.400 1.00 0.38 C ATOM 235 C LEU A 16 1.535 1.656 -10.249 1.00 0.36 C ATOM 236 O LEU A 16 0.321 1.763 -10.080 1.00 0.35 O ATOM 237 CB LEU A 16 2.208 2.265 -7.914 1.00 0.39 C ATOM 238 CG LEU A 16 3.126 1.270 -7.194 1.00 0.67 C ATOM 239 CD1 LEU A 16 2.963 -0.127 -7.773 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.578 1.719 -7.283 1.00 0.93 C ATOM 0 H LEU A 16 2.305 4.510 -8.933 1.00 0.38 H new ATOM 0 HA LEU A 16 3.522 2.135 -9.612 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.274 3.227 -7.407 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.178 1.922 -7.814 1.00 0.39 H new ATOM 0 HG LEU A 16 2.839 1.241 -6.143 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.623 -0.818 -7.248 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.929 -0.452 -7.654 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.220 -0.114 -8.832 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.214 1.000 -6.766 1.00 0.93 H new ATOM 0 HD22 LEU A 16 4.876 1.781 -8.330 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.685 2.699 -6.817 1.00 0.93 H new ATOM 252 N PRO A 17 2.056 0.828 -11.179 1.00 0.38 N ATOM 253 CA PRO A 17 1.219 -0.005 -12.050 1.00 0.40 C ATOM 254 C PRO A 17 0.192 -0.817 -11.268 1.00 0.35 C ATOM 255 O PRO A 17 0.547 -1.615 -10.399 1.00 0.35 O ATOM 256 CB PRO A 17 2.226 -0.933 -12.731 1.00 0.46 C ATOM 257 CG PRO A 17 3.507 -0.176 -12.719 1.00 0.48 C ATOM 258 CD PRO A 17 3.495 0.641 -11.457 1.00 0.43 C ATOM 0 HA PRO A 17 0.634 0.597 -12.746 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.319 -1.877 -12.195 1.00 0.46 H new ATOM 0 HB3 PRO A 17 1.918 -1.173 -13.749 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.361 -0.854 -12.737 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.590 0.464 -13.597 1.00 0.48 H new ATOM 0 HD2 PRO A 17 3.998 0.124 -10.640 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.005 1.595 -11.592 1.00 0.43 H new ATOM 266 N LEU A 18 -1.081 -0.606 -11.584 1.00 0.40 N ATOM 267 CA LEU A 18 -2.170 -1.314 -10.916 1.00 0.41 C ATOM 268 C LEU A 18 -2.035 -2.836 -11.063 1.00 0.36 C ATOM 269 O LEU A 18 -2.144 -3.558 -10.072 1.00 0.37 O ATOM 270 CB LEU A 18 -3.524 -0.849 -11.458 1.00 0.51 C ATOM 271 CG LEU A 18 -4.707 -1.056 -10.510 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.635 -0.086 -9.340 1.00 1.36 C ATOM 273 CD2 LEU A 18 -6.022 -0.893 -11.258 1.00 1.64 C ATOM 0 H LEU A 18 -1.386 0.052 -12.301 1.00 0.40 H new ATOM 0 HA LEU A 18 -2.110 -1.076 -9.854 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.456 0.211 -11.703 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.727 -1.379 -12.389 1.00 0.51 H new ATOM 0 HG LEU A 18 -4.657 -2.071 -10.115 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.485 -0.250 -8.678 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -3.709 -0.249 -8.788 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -4.659 0.938 -9.714 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -6.853 -1.043 -10.569 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -6.078 0.110 -11.681 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -6.078 -1.629 -12.060 1.00 1.64 H new ATOM 285 N PRO A 19 -1.802 -3.356 -12.293 1.00 0.36 N ATOM 286 CA PRO A 19 -1.662 -4.802 -12.516 1.00 0.41 C ATOM 287 C PRO A 19 -0.603 -5.431 -11.614 1.00 0.39 C ATOM 288 O PRO A 19 -0.651 -6.628 -11.330 1.00 0.44 O ATOM 289 CB PRO A 19 -1.247 -4.916 -13.991 1.00 0.49 C ATOM 290 CG PRO A 19 -0.856 -3.537 -14.406 1.00 0.59 C ATOM 291 CD PRO A 19 -1.661 -2.603 -13.551 1.00 0.40 C ATOM 0 HA PRO A 19 -2.586 -5.332 -12.285 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.417 -5.612 -14.112 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.069 -5.291 -14.601 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.212 -3.375 -14.262 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.064 -3.374 -15.464 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.151 -1.652 -13.399 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.629 -2.377 -13.998 1.00 0.40 H new ATOM 299 N VAL A 20 0.352 -4.620 -11.169 1.00 0.38 N ATOM 300 CA VAL A 20 1.415 -5.101 -10.294 1.00 0.44 C ATOM 301 C VAL A 20 0.975 -5.053 -8.834 1.00 0.42 C ATOM 302 O VAL A 20 1.232 -5.982 -8.066 1.00 0.46 O ATOM 303 CB VAL A 20 2.705 -4.273 -10.462 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.784 -4.753 -9.502 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.197 -4.340 -11.900 1.00 0.56 C ATOM 0 H VAL A 20 0.411 -3.628 -11.400 1.00 0.38 H new ATOM 0 HA VAL A 20 1.623 -6.132 -10.579 1.00 0.44 H new ATOM 0 HB VAL A 20 2.478 -3.234 -10.224 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.685 -4.155 -9.638 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.431 -4.649 -8.476 1.00 0.65 H new ATOM 0 HG13 VAL A 20 4.010 -5.800 -9.703 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.108 -3.750 -12.001 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.405 -5.377 -12.166 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.431 -3.941 -12.565 1.00 0.56 H new ATOM 315 N ARG A 21 0.314 -3.963 -8.458 1.00 0.42 N ATOM 316 CA ARG A 21 -0.168 -3.787 -7.092 1.00 0.46 C ATOM 317 C ARG A 21 -1.149 -4.892 -6.715 1.00 0.39 C ATOM 318 O ARG A 21 -1.149 -5.376 -5.583 1.00 0.38 O ATOM 319 CB ARG A 21 -0.844 -2.424 -6.943 1.00 0.54 C ATOM 320 CG ARG A 21 -0.933 -1.943 -5.505 1.00 1.17 C ATOM 321 CD ARG A 21 -0.035 -0.741 -5.262 1.00 0.77 C ATOM 322 NE ARG A 21 1.349 -1.135 -5.013 1.00 1.75 N ATOM 323 CZ ARG A 21 2.228 -0.373 -4.370 1.00 2.57 C ATOM 324 NH1 ARG A 21 1.870 0.820 -3.913 1.00 2.82 N ATOM 325 NH2 ARG A 21 3.468 -0.804 -4.182 1.00 3.62 N ATOM 0 H ARG A 21 0.099 -3.186 -9.082 1.00 0.42 H new ATOM 0 HA ARG A 21 0.689 -3.840 -6.421 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.293 -1.689 -7.530 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.849 -2.478 -7.362 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -1.965 -1.680 -5.271 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -0.650 -2.752 -4.832 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.074 -0.079 -6.127 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.410 -0.175 -4.410 1.00 0.77 H new ATOM 0 HE ARG A 21 1.658 -2.046 -5.352 1.00 1.75 H new ATOM 0 HH11 ARG A 21 0.917 1.155 -4.055 1.00 2.82 H new ATOM 0 HH12 ARG A 21 2.548 1.402 -3.420 1.00 2.82 H new ATOM 0 HH21 ARG A 21 3.748 -1.721 -4.531 1.00 3.62 H new ATOM 0 HH22 ARG A 21 4.142 -0.219 -3.689 1.00 3.62 H new ATOM 339 N ALA A 22 -1.982 -5.284 -7.674 1.00 0.40 N ATOM 340 CA ALA A 22 -2.980 -6.325 -7.455 1.00 0.40 C ATOM 341 C ALA A 22 -2.344 -7.625 -6.971 1.00 0.35 C ATOM 342 O ALA A 22 -3.010 -8.457 -6.354 1.00 0.37 O ATOM 343 CB ALA A 22 -3.767 -6.567 -8.733 1.00 0.48 C ATOM 0 H ALA A 22 -1.985 -4.893 -8.616 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.657 -5.980 -6.673 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.510 -7.346 -8.561 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.269 -5.646 -9.031 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.087 -6.883 -9.525 1.00 0.48 H new ATOM 349 N GLN A 23 -1.056 -7.795 -7.252 1.00 0.36 N ATOM 350 CA GLN A 23 -0.339 -8.998 -6.843 1.00 0.39 C ATOM 351 C GLN A 23 -0.206 -9.059 -5.326 1.00 0.34 C ATOM 352 O GLN A 23 -0.256 -10.136 -4.731 1.00 0.42 O ATOM 353 CB GLN A 23 1.047 -9.038 -7.488 1.00 0.49 C ATOM 354 CG GLN A 23 1.010 -9.196 -8.999 1.00 0.96 C ATOM 355 CD GLN A 23 0.832 -10.638 -9.431 1.00 1.44 C ATOM 356 OE1 GLN A 23 -0.287 -11.150 -9.477 1.00 2.14 O ATOM 357 NE2 GLN A 23 1.936 -11.302 -9.748 1.00 2.10 N ATOM 0 H GLN A 23 -0.488 -7.117 -7.760 1.00 0.36 H new ATOM 0 HA GLN A 23 -0.912 -9.863 -7.177 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.581 -8.121 -7.240 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.615 -9.863 -7.058 1.00 0.49 H new ATOM 0 HG2 GLN A 23 0.194 -8.596 -9.403 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.934 -8.805 -9.424 1.00 0.96 H new ATOM 0 HE21 GLN A 23 2.843 -10.838 -9.696 1.00 2.10 H new ATOM 0 HE22 GLN A 23 1.878 -12.276 -10.044 1.00 2.10 H new ATOM 366 N LEU A 24 -0.038 -7.896 -4.706 1.00 0.29 N ATOM 367 CA LEU A 24 0.104 -7.813 -3.257 1.00 0.30 C ATOM 368 C LEU A 24 -1.254 -7.633 -2.587 1.00 0.30 C ATOM 369 O LEU A 24 -1.490 -8.148 -1.494 1.00 0.31 O ATOM 370 CB LEU A 24 1.026 -6.654 -2.880 1.00 0.38 C ATOM 371 CG LEU A 24 1.303 -6.501 -1.385 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.745 -6.083 -1.147 1.00 1.51 C ATOM 373 CD2 LEU A 24 0.344 -5.489 -0.778 1.00 1.40 C ATOM 0 H LEU A 24 0.003 -6.996 -5.185 1.00 0.29 H new ATOM 0 HA LEU A 24 0.542 -8.747 -2.906 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.976 -6.784 -3.398 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.587 -5.727 -3.248 1.00 0.38 H new ATOM 0 HG LEU A 24 1.146 -7.465 -0.900 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.922 -5.979 -0.076 1.00 1.51 H new ATOM 0 HD12 LEU A 24 3.415 -6.840 -1.554 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.933 -5.129 -1.640 1.00 1.51 H new ATOM 0 HD21 LEU A 24 0.549 -5.387 0.288 1.00 1.40 H new ATOM 0 HD22 LEU A 24 0.476 -4.524 -1.267 1.00 1.40 H new ATOM 0 HD23 LEU A 24 -0.682 -5.830 -0.919 1.00 1.40 H new ATOM 385 N CYS A 25 -2.146 -6.902 -3.250 1.00 0.34 N ATOM 386 CA CYS A 25 -3.479 -6.654 -2.712 1.00 0.39 C ATOM 387 C CYS A 25 -4.213 -7.968 -2.483 1.00 0.39 C ATOM 388 O CYS A 25 -4.904 -8.140 -1.478 1.00 0.42 O ATOM 389 CB CYS A 25 -4.279 -5.764 -3.665 1.00 0.47 C ATOM 390 SG CYS A 25 -3.482 -4.184 -4.039 1.00 0.55 S ATOM 0 H CYS A 25 -1.970 -6.472 -4.158 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.375 -6.141 -1.756 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.446 -6.305 -4.597 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.259 -5.571 -3.229 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.318 -4.401 -4.576 1.00 0.55 H new ATOM 396 N ALA A 26 -4.063 -8.889 -3.426 1.00 0.40 N ATOM 397 CA ALA A 26 -4.696 -10.198 -3.331 1.00 0.45 C ATOM 398 C ALA A 26 -4.186 -10.960 -2.114 1.00 0.42 C ATOM 399 O ALA A 26 -4.954 -11.618 -1.411 1.00 0.46 O ATOM 400 CB ALA A 26 -4.431 -10.998 -4.595 1.00 0.52 C ATOM 0 H ALA A 26 -3.506 -8.753 -4.269 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.770 -10.052 -3.219 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.908 -11.975 -4.514 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.838 -10.465 -5.455 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.357 -11.129 -4.724 1.00 0.52 H new ATOM 406 N HIS A 27 -2.881 -10.864 -1.876 1.00 0.37 N ATOM 407 CA HIS A 27 -2.248 -11.547 -0.754 1.00 0.37 C ATOM 408 C HIS A 27 -2.800 -11.047 0.578 1.00 0.38 C ATOM 409 O HIS A 27 -3.304 -11.827 1.386 1.00 0.44 O ATOM 410 CB HIS A 27 -0.732 -11.337 -0.811 1.00 0.37 C ATOM 411 CG HIS A 27 -0.015 -11.731 0.445 1.00 0.42 C ATOM 412 ND1 HIS A 27 -0.222 -12.935 1.085 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.917 -11.074 1.175 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.550 -13.001 2.155 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.251 -11.885 2.232 1.00 0.68 N ATOM 0 H HIS A 27 -2.239 -10.316 -2.449 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.469 -12.612 -0.829 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.327 -11.911 -1.644 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.528 -10.287 -1.019 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.322 -10.095 0.965 1.00 0.55 H new ATOM 0 HE1 HIS A 27 0.599 -13.827 2.849 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.931 -11.661 2.959 1.00 0.68 H new ATOM 424 N LEU A 28 -2.697 -9.741 0.797 1.00 0.37 N ATOM 425 CA LEU A 28 -3.175 -9.125 2.029 1.00 0.45 C ATOM 426 C LEU A 28 -4.664 -9.382 2.233 1.00 0.49 C ATOM 427 O LEU A 28 -5.105 -9.686 3.341 1.00 0.51 O ATOM 428 CB LEU A 28 -2.905 -7.617 2.005 1.00 0.51 C ATOM 429 CG LEU A 28 -1.480 -7.200 2.382 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.173 -7.581 3.822 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.466 -7.828 1.433 1.00 0.99 C ATOM 0 H LEU A 28 -2.284 -9.085 0.133 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.634 -9.575 2.861 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.123 -7.242 1.005 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.601 -7.129 2.687 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.407 -6.116 2.291 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.156 -7.276 4.070 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.875 -7.080 4.489 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.267 -8.660 3.941 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.540 -7.519 1.718 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.541 -8.914 1.487 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.670 -7.501 0.414 1.00 0.99 H new ATOM 443 N ASP A 29 -5.433 -9.257 1.158 1.00 0.60 N ATOM 444 CA ASP A 29 -6.875 -9.471 1.219 1.00 0.69 C ATOM 445 C ASP A 29 -7.200 -10.916 1.582 1.00 0.57 C ATOM 446 O ASP A 29 -8.250 -11.198 2.161 1.00 0.55 O ATOM 447 CB ASP A 29 -7.523 -9.112 -0.118 1.00 0.94 C ATOM 448 CG ASP A 29 -9.000 -8.799 0.023 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.343 -7.896 0.815 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.814 -9.461 -0.656 1.00 1.12 O ATOM 0 H ASP A 29 -5.083 -9.008 0.233 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.278 -8.822 1.997 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.011 -8.251 -0.548 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.394 -9.940 -0.815 1.00 0.94 H new ATOM 455 N ALA A 30 -6.297 -11.827 1.236 1.00 0.56 N ATOM 456 CA ALA A 30 -6.490 -13.242 1.527 1.00 0.58 C ATOM 457 C ALA A 30 -6.429 -13.502 3.027 1.00 0.46 C ATOM 458 O ALA A 30 -7.159 -14.343 3.553 1.00 0.54 O ATOM 459 CB ALA A 30 -5.446 -14.078 0.801 1.00 0.68 C ATOM 0 H ALA A 30 -5.425 -11.610 0.754 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.479 -13.531 1.172 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.602 -15.133 1.028 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.537 -13.920 -0.274 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.450 -13.780 1.128 1.00 0.68 H new ATOM 465 N LEU A 31 -5.551 -12.775 3.710 1.00 0.37 N ATOM 466 CA LEU A 31 -5.392 -12.919 5.151 1.00 0.40 C ATOM 467 C LEU A 31 -6.586 -12.325 5.893 1.00 0.40 C ATOM 468 O LEU A 31 -6.640 -12.352 7.124 1.00 0.45 O ATOM 469 CB LEU A 31 -4.101 -12.241 5.611 1.00 0.45 C ATOM 470 CG LEU A 31 -2.886 -13.165 5.702 1.00 0.64 C ATOM 471 CD1 LEU A 31 -2.277 -13.382 4.324 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.853 -12.593 6.660 1.00 1.16 C ATOM 0 H LEU A 31 -4.938 -12.079 3.287 1.00 0.37 H new ATOM 0 HA LEU A 31 -5.338 -13.983 5.382 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.870 -11.428 4.923 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.272 -11.792 6.589 1.00 0.45 H new ATOM 0 HG LEU A 31 -3.214 -14.130 6.088 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -1.414 -14.042 4.408 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -3.018 -13.836 3.666 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.963 -12.424 3.910 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.995 -13.263 6.713 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.528 -11.615 6.304 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.294 -12.490 7.651 1.00 1.16 H new ATOM 484 N ASP A 32 -7.542 -11.791 5.135 1.00 0.40 N ATOM 485 CA ASP A 32 -8.737 -11.186 5.715 1.00 0.46 C ATOM 486 C ASP A 32 -8.362 -10.084 6.702 1.00 0.46 C ATOM 487 O ASP A 32 -8.754 -10.120 7.868 1.00 0.57 O ATOM 488 CB ASP A 32 -9.589 -12.249 6.412 1.00 0.52 C ATOM 489 CG ASP A 32 -9.941 -13.402 5.493 1.00 1.20 C ATOM 490 OD1 ASP A 32 -10.945 -13.290 4.758 1.00 1.57 O ATOM 491 OD2 ASP A 32 -9.215 -14.418 5.509 1.00 2.03 O ATOM 0 H ASP A 32 -7.511 -11.766 4.116 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.319 -10.742 4.907 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.051 -12.631 7.279 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -10.506 -11.790 6.782 1.00 0.52 H new ATOM 496 N VAL A 33 -7.601 -9.106 6.222 1.00 0.42 N ATOM 497 CA VAL A 33 -7.168 -7.992 7.059 1.00 0.43 C ATOM 498 C VAL A 33 -7.327 -6.661 6.332 1.00 0.42 C ATOM 499 O VAL A 33 -6.653 -5.683 6.656 1.00 0.52 O ATOM 500 CB VAL A 33 -5.698 -8.155 7.491 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.527 -9.386 8.366 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.787 -8.229 6.273 1.00 0.50 C ATOM 0 H VAL A 33 -7.271 -9.062 5.258 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.804 -7.996 7.944 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.415 -7.281 8.077 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.482 -9.482 8.659 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.146 -9.288 9.257 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.830 -10.273 7.810 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.753 -8.344 6.598 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -5.071 -9.083 5.658 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.884 -7.313 5.690 1.00 0.50 H new ATOM 512 N TRP A 34 -8.224 -6.627 5.350 1.00 0.39 N ATOM 513 CA TRP A 34 -8.464 -5.412 4.580 1.00 0.38 C ATOM 514 C TRP A 34 -8.905 -4.266 5.489 1.00 0.33 C ATOM 515 O TRP A 34 -8.560 -3.107 5.255 1.00 0.34 O ATOM 516 CB TRP A 34 -9.517 -5.665 3.496 1.00 0.40 C ATOM 517 CG TRP A 34 -10.917 -5.765 4.025 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.515 -6.870 4.560 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.894 -4.720 4.068 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.804 -6.575 4.932 1.00 0.50 N ATOM 521 CE2 TRP A 34 -13.060 -5.260 4.641 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.895 -3.377 3.676 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.214 -4.504 4.832 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.040 -2.629 3.866 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.187 -3.194 4.441 1.00 0.50 C ATOM 0 H TRP A 34 -8.795 -7.425 5.070 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.528 -5.126 4.101 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.472 -4.859 2.763 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.270 -6.588 2.971 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -11.043 -7.835 4.674 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.463 -7.228 5.356 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.016 -2.933 3.233 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.099 -4.937 5.274 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.052 -1.591 3.567 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.067 -2.583 4.578 1.00 0.50 H new ATOM 536 N GLN A 35 -9.668 -4.598 6.527 1.00 0.32 N ATOM 537 CA GLN A 35 -10.151 -3.599 7.473 1.00 0.33 C ATOM 538 C GLN A 35 -8.989 -2.946 8.212 1.00 0.32 C ATOM 539 O GLN A 35 -9.077 -1.794 8.637 1.00 0.35 O ATOM 540 CB GLN A 35 -11.113 -4.237 8.477 1.00 0.38 C ATOM 541 CG GLN A 35 -12.572 -4.154 8.058 1.00 1.12 C ATOM 542 CD GLN A 35 -13.418 -3.374 9.045 1.00 1.61 C ATOM 543 OE1 GLN A 35 -14.111 -3.954 9.881 1.00 2.15 O ATOM 544 NE2 GLN A 35 -13.365 -2.050 8.954 1.00 2.32 N ATOM 0 H GLN A 35 -9.965 -5.552 6.734 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.681 -2.830 6.911 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -10.842 -5.284 8.613 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.993 -3.748 9.444 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.638 -3.684 7.077 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.975 -5.162 7.956 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -12.777 -1.611 8.246 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -13.912 -1.473 9.592 1.00 2.32 H new ATOM 553 N GLN A 36 -7.899 -3.693 8.361 1.00 0.33 N ATOM 554 CA GLN A 36 -6.715 -3.191 9.046 1.00 0.38 C ATOM 555 C GLN A 36 -6.000 -2.157 8.184 1.00 0.37 C ATOM 556 O GLN A 36 -5.395 -1.221 8.701 1.00 0.46 O ATOM 557 CB GLN A 36 -5.785 -4.362 9.417 1.00 0.45 C ATOM 558 CG GLN A 36 -4.317 -4.182 9.036 1.00 1.54 C ATOM 559 CD GLN A 36 -3.891 -5.114 7.919 1.00 2.38 C ATOM 560 OE1 GLN A 36 -3.326 -6.180 8.165 1.00 3.29 O ATOM 561 NE2 GLN A 36 -4.157 -4.716 6.682 1.00 2.41 N ATOM 0 H GLN A 36 -7.812 -4.649 8.016 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.017 -2.696 9.969 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.846 -4.524 10.493 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -6.159 -5.266 8.937 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -4.148 -3.150 8.729 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -3.693 -4.360 9.912 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -4.627 -3.825 6.523 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -3.891 -5.301 5.890 1.00 2.41 H new ATOM 570 N LEU A 37 -6.073 -2.330 6.869 1.00 0.37 N ATOM 571 CA LEU A 37 -5.438 -1.400 5.945 1.00 0.40 C ATOM 572 C LEU A 37 -6.134 -0.045 5.995 1.00 0.38 C ATOM 573 O LEU A 37 -5.502 0.981 6.247 1.00 0.42 O ATOM 574 CB LEU A 37 -5.470 -1.956 4.519 1.00 0.43 C ATOM 575 CG LEU A 37 -4.276 -2.835 4.142 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.715 -3.966 3.226 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.189 -2.002 3.478 1.00 0.65 C ATOM 0 H LEU A 37 -6.564 -3.103 6.421 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.398 -1.272 6.246 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.384 -2.536 4.392 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.522 -1.121 3.820 1.00 0.43 H new ATOM 0 HG LEU A 37 -3.867 -3.270 5.054 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -3.853 -4.581 2.968 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.459 -4.579 3.735 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.149 -3.550 2.317 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.347 -2.644 3.217 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.586 -1.539 2.575 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.854 -1.226 4.166 1.00 0.65 H new ATOM 589 N ALA A 38 -7.440 -0.049 5.743 1.00 0.36 N ATOM 590 CA ALA A 38 -8.234 1.173 5.769 1.00 0.37 C ATOM 591 C ALA A 38 -8.036 1.935 7.077 1.00 0.36 C ATOM 592 O ALA A 38 -7.662 3.107 7.074 1.00 0.41 O ATOM 593 CB ALA A 38 -9.705 0.852 5.561 1.00 0.39 C ATOM 0 H ALA A 38 -7.972 -0.890 5.518 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.894 1.812 4.954 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.285 1.774 5.583 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.838 0.363 4.596 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -10.048 0.188 6.355 1.00 0.39 H new ATOM 599 N THR A 39 -8.297 1.260 8.192 1.00 0.33 N ATOM 600 CA THR A 39 -8.157 1.869 9.511 1.00 0.36 C ATOM 601 C THR A 39 -6.721 2.319 9.775 1.00 0.37 C ATOM 602 O THR A 39 -6.494 3.306 10.474 1.00 0.40 O ATOM 603 CB THR A 39 -8.591 0.901 10.626 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.835 0.279 10.280 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.737 1.632 11.952 1.00 0.51 C ATOM 0 H THR A 39 -8.607 0.289 8.209 1.00 0.33 H new ATOM 0 HA THR A 39 -8.810 2.742 9.518 1.00 0.36 H new ATOM 0 HB THR A 39 -7.820 0.138 10.732 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.661 -0.528 9.752 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.044 0.927 12.724 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.782 2.079 12.228 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.489 2.415 11.855 1.00 0.51 H new ATOM 613 N ALA A 40 -5.756 1.586 9.223 1.00 0.38 N ATOM 614 CA ALA A 40 -4.344 1.922 9.405 1.00 0.43 C ATOM 615 C ALA A 40 -4.052 3.355 8.967 1.00 0.42 C ATOM 616 O ALA A 40 -3.188 4.022 9.537 1.00 0.47 O ATOM 617 CB ALA A 40 -3.461 0.949 8.638 1.00 0.47 C ATOM 0 H ALA A 40 -5.924 0.760 8.649 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.119 1.841 10.468 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.414 1.214 8.785 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.633 -0.064 9.003 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.702 0.998 7.576 1.00 0.47 H new ATOM 623 N VAL A 41 -4.772 3.822 7.952 1.00 0.38 N ATOM 624 CA VAL A 41 -4.583 5.177 7.443 1.00 0.40 C ATOM 625 C VAL A 41 -5.716 6.096 7.886 1.00 0.41 C ATOM 626 O VAL A 41 -5.790 7.251 7.469 1.00 0.47 O ATOM 627 CB VAL A 41 -4.493 5.197 5.905 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.127 4.718 5.443 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.599 4.354 5.290 1.00 0.45 C ATOM 0 H VAL A 41 -5.490 3.284 7.466 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.642 5.538 7.858 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.625 6.225 5.568 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -3.083 4.739 4.354 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.355 5.371 5.850 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.961 3.699 5.793 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.517 4.382 4.203 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.506 3.324 5.634 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.569 4.751 5.591 1.00 0.45 H new ATOM 639 N LYS A 42 -6.596 5.572 8.738 1.00 0.38 N ATOM 640 CA LYS A 42 -7.730 6.337 9.249 1.00 0.41 C ATOM 641 C LYS A 42 -8.597 6.862 8.109 1.00 0.43 C ATOM 642 O LYS A 42 -8.333 7.929 7.556 1.00 0.53 O ATOM 643 CB LYS A 42 -7.242 7.500 10.113 1.00 0.51 C ATOM 644 CG LYS A 42 -8.249 7.942 11.162 1.00 0.77 C ATOM 645 CD LYS A 42 -8.300 9.457 11.283 1.00 1.05 C ATOM 646 CE LYS A 42 -9.318 10.057 10.325 1.00 1.32 C ATOM 647 NZ LYS A 42 -9.286 11.545 10.345 1.00 2.14 N ATOM 0 H LYS A 42 -6.544 4.616 9.090 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.336 5.669 9.861 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.316 7.209 10.610 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.006 8.347 9.468 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -9.237 7.563 10.901 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.986 7.508 12.126 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -8.554 9.733 12.306 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -7.314 9.873 11.076 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -9.118 9.703 9.314 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.317 9.711 10.592 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -9.994 11.916 9.679 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -9.501 11.884 11.304 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -8.340 11.876 10.065 1.00 2.14 H new ATOM 661 N LEU A 43 -9.636 6.106 7.768 1.00 0.41 N ATOM 662 CA LEU A 43 -10.544 6.495 6.694 1.00 0.49 C ATOM 663 C LEU A 43 -11.968 6.653 7.214 1.00 0.49 C ATOM 664 O LEU A 43 -12.352 6.027 8.203 1.00 0.52 O ATOM 665 CB LEU A 43 -10.513 5.458 5.570 1.00 0.56 C ATOM 666 CG LEU A 43 -9.147 5.248 4.915 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.195 4.076 3.949 1.00 0.78 C ATOM 668 CD2 LEU A 43 -8.698 6.513 4.197 1.00 1.03 C ATOM 0 H LEU A 43 -9.870 5.222 8.219 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.211 7.456 6.303 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.858 4.504 5.968 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.225 5.758 4.801 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.422 5.021 5.697 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.215 3.941 3.492 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -9.472 3.170 4.489 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.933 4.275 3.172 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -7.724 6.344 3.737 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -9.424 6.771 3.426 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -8.624 7.331 4.913 1.00 1.03 H new ATOM 680 N TYR A 44 -12.748 7.493 6.541 1.00 0.50 N ATOM 681 CA TYR A 44 -14.131 7.731 6.933 1.00 0.53 C ATOM 682 C TYR A 44 -14.986 6.491 6.671 1.00 0.48 C ATOM 683 O TYR A 44 -14.926 5.913 5.586 1.00 0.48 O ATOM 684 CB TYR A 44 -14.702 8.928 6.169 1.00 0.60 C ATOM 685 CG TYR A 44 -14.029 10.240 6.506 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.356 10.932 7.666 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.068 10.786 5.665 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.743 12.131 7.977 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.450 11.985 5.970 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.795 12.655 7.125 1.00 1.16 C ATOM 691 OH TYR A 44 -12.178 13.846 7.435 1.00 1.41 O ATOM 0 H TYR A 44 -12.445 8.020 5.722 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.150 7.950 8.001 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.606 8.745 5.099 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.767 9.010 6.384 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -15.101 10.527 8.335 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.799 10.266 4.758 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -14.006 12.655 8.884 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.702 12.394 5.308 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.535 14.074 6.731 1.00 1.41 H new ATOM 701 N PRO A 45 -15.797 6.062 7.659 1.00 0.62 N ATOM 702 CA PRO A 45 -16.658 4.881 7.515 1.00 0.65 C ATOM 703 C PRO A 45 -17.631 5.010 6.348 1.00 0.65 C ATOM 704 O PRO A 45 -18.253 4.030 5.936 1.00 0.70 O ATOM 705 CB PRO A 45 -17.419 4.821 8.845 1.00 0.86 C ATOM 706 CG PRO A 45 -16.582 5.598 9.800 1.00 1.32 C ATOM 707 CD PRO A 45 -15.940 6.684 8.987 1.00 0.87 C ATOM 0 HA PRO A 45 -16.078 3.982 7.303 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.415 5.253 8.750 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.549 3.792 9.180 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.190 6.017 10.602 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -15.830 4.963 10.268 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.560 7.580 8.949 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -14.976 6.981 9.400 1.00 0.87 H new ATOM 715 N ASP A 46 -17.761 6.224 5.821 1.00 0.67 N ATOM 716 CA ASP A 46 -18.657 6.477 4.698 1.00 0.74 C ATOM 717 C ASP A 46 -17.968 6.166 3.374 1.00 0.69 C ATOM 718 O ASP A 46 -18.595 5.672 2.436 1.00 0.76 O ATOM 719 CB ASP A 46 -19.126 7.933 4.708 1.00 0.89 C ATOM 720 CG ASP A 46 -19.678 8.353 6.056 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.761 7.861 6.433 1.00 1.77 O ATOM 722 OD2 ASP A 46 -19.025 9.175 6.733 1.00 2.01 O ATOM 0 H ASP A 46 -17.258 7.047 6.153 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.522 5.823 4.803 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -18.292 8.582 4.442 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.893 8.070 3.946 1.00 0.89 H new ATOM 727 N GLN A 47 -16.673 6.461 3.305 1.00 0.63 N ATOM 728 CA GLN A 47 -15.896 6.213 2.096 1.00 0.68 C ATOM 729 C GLN A 47 -15.519 4.737 1.988 1.00 0.61 C ATOM 730 O GLN A 47 -15.510 4.167 0.897 1.00 0.65 O ATOM 731 CB GLN A 47 -14.643 7.102 2.080 1.00 0.75 C ATOM 732 CG GLN A 47 -13.327 6.337 2.128 1.00 0.78 C ATOM 733 CD GLN A 47 -12.122 7.242 1.964 1.00 1.21 C ATOM 734 OE1 GLN A 47 -11.747 7.972 2.882 1.00 1.94 O ATOM 735 NE2 GLN A 47 -11.505 7.197 0.788 1.00 1.56 N ATOM 0 H GLN A 47 -16.140 6.872 4.072 1.00 0.63 H new ATOM 0 HA GLN A 47 -16.509 6.465 1.231 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -14.660 7.716 1.179 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -14.685 7.783 2.930 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -13.253 5.808 3.078 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.320 5.583 1.341 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.850 6.577 0.055 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -10.687 7.782 0.619 1.00 1.56 H new ATOM 744 N VAL A 48 -15.209 4.125 3.128 1.00 0.57 N ATOM 745 CA VAL A 48 -14.835 2.716 3.161 1.00 0.57 C ATOM 746 C VAL A 48 -15.999 1.832 2.725 1.00 0.55 C ATOM 747 O VAL A 48 -15.800 0.703 2.276 1.00 0.51 O ATOM 748 CB VAL A 48 -14.371 2.288 4.568 1.00 0.61 C ATOM 749 CG1 VAL A 48 -13.833 0.866 4.546 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.321 3.251 5.101 1.00 0.75 C ATOM 0 H VAL A 48 -15.210 4.583 4.039 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.006 2.590 2.465 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.232 2.316 5.236 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -13.511 0.583 5.548 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -14.616 0.186 4.211 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -12.986 0.808 3.863 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.006 2.932 6.095 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.460 3.257 4.432 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.743 4.254 5.159 1.00 0.75 H new ATOM 760 N GLU A 49 -17.215 2.355 2.861 1.00 0.60 N ATOM 761 CA GLU A 49 -18.413 1.614 2.482 1.00 0.63 C ATOM 762 C GLU A 49 -18.377 1.246 1.003 1.00 0.57 C ATOM 763 O GLU A 49 -18.925 0.222 0.594 1.00 0.57 O ATOM 764 CB GLU A 49 -19.666 2.437 2.783 1.00 0.73 C ATOM 765 CG GLU A 49 -20.635 1.745 3.728 1.00 0.87 C ATOM 766 CD GLU A 49 -21.836 1.164 3.008 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.756 -0.001 2.567 1.00 2.44 O ATOM 768 OE2 GLU A 49 -22.856 1.874 2.887 1.00 1.73 O ATOM 0 H GLU A 49 -17.396 3.288 3.231 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.442 0.695 3.068 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.368 3.392 3.216 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.179 2.658 1.847 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.113 0.948 4.258 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.976 2.458 4.479 1.00 0.87 H new ATOM 775 N GLN A 50 -17.729 2.090 0.207 1.00 0.56 N ATOM 776 CA GLN A 50 -17.615 1.859 -1.229 1.00 0.55 C ATOM 777 C GLN A 50 -16.905 0.539 -1.518 1.00 0.48 C ATOM 778 O GLN A 50 -17.311 -0.214 -2.404 1.00 0.56 O ATOM 779 CB GLN A 50 -16.861 3.012 -1.892 1.00 0.59 C ATOM 780 CG GLN A 50 -17.503 4.370 -1.663 1.00 0.91 C ATOM 781 CD GLN A 50 -17.092 5.393 -2.704 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.935 6.080 -3.282 1.00 2.12 O ATOM 783 NE2 GLN A 50 -15.792 5.499 -2.950 1.00 1.46 N ATOM 0 H GLN A 50 -17.274 2.942 0.533 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.622 1.804 -1.642 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -15.840 3.033 -1.512 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.798 2.825 -2.964 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.588 4.261 -1.674 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -17.229 4.735 -0.673 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.128 4.910 -2.448 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.457 6.170 -3.641 1.00 1.46 H new ATOM 792 N ILE A 51 -15.845 0.266 -0.764 1.00 0.40 N ATOM 793 CA ILE A 51 -15.077 -0.962 -0.940 1.00 0.38 C ATOM 794 C ILE A 51 -15.868 -2.182 -0.477 1.00 0.41 C ATOM 795 O ILE A 51 -16.004 -3.159 -1.213 1.00 0.47 O ATOM 796 CB ILE A 51 -13.742 -0.909 -0.170 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.017 0.410 -0.449 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.864 -2.092 -0.548 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.151 0.877 0.701 1.00 0.42 C ATOM 0 H ILE A 51 -15.498 0.878 -0.025 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.870 -1.050 -2.007 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.955 -0.966 0.898 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.396 0.293 -1.337 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.754 1.180 -0.674 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.926 -2.040 0.004 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.379 -3.021 -0.302 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.657 -2.065 -1.618 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.668 1.817 0.434 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.770 1.026 1.586 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.391 0.125 0.913 1.00 0.42 H new ATOM 811 N SER A 52 -16.381 -2.118 0.749 1.00 0.43 N ATOM 812 CA SER A 52 -17.160 -3.216 1.315 1.00 0.50 C ATOM 813 C SER A 52 -18.305 -3.615 0.388 1.00 0.52 C ATOM 814 O SER A 52 -18.784 -4.748 0.433 1.00 0.59 O ATOM 815 CB SER A 52 -17.712 -2.825 2.686 1.00 0.57 C ATOM 816 OG SER A 52 -18.042 -1.449 2.729 1.00 1.42 O ATOM 0 H SER A 52 -16.271 -1.316 1.370 1.00 0.43 H new ATOM 0 HA SER A 52 -16.496 -4.073 1.428 1.00 0.50 H new ATOM 0 HB2 SER A 52 -18.597 -3.421 2.909 1.00 0.57 H new ATOM 0 HB3 SER A 52 -16.974 -3.049 3.456 1.00 0.57 H new ATOM 0 HG SER A 52 -18.432 -1.179 1.871 1.00 1.42 H new ATOM 822 N SER A 53 -18.739 -2.676 -0.448 1.00 0.54 N ATOM 823 CA SER A 53 -19.823 -2.931 -1.389 1.00 0.60 C ATOM 824 C SER A 53 -19.483 -4.108 -2.297 1.00 0.63 C ATOM 825 O SER A 53 -20.114 -5.163 -2.225 1.00 0.70 O ATOM 826 CB SER A 53 -20.103 -1.685 -2.230 1.00 0.68 C ATOM 827 OG SER A 53 -21.361 -1.775 -2.876 1.00 0.93 O ATOM 0 H SER A 53 -18.356 -1.732 -0.492 1.00 0.54 H new ATOM 0 HA SER A 53 -20.718 -3.180 -0.818 1.00 0.60 H new ATOM 0 HB2 SER A 53 -20.081 -0.801 -1.593 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.317 -1.561 -2.975 1.00 0.68 H new ATOM 0 HG SER A 53 -21.516 -0.965 -3.405 1.00 0.93 H new ATOM 833 N GLN A 54 -18.487 -3.918 -3.155 1.00 0.67 N ATOM 834 CA GLN A 54 -18.058 -4.968 -4.073 1.00 0.80 C ATOM 835 C GLN A 54 -17.540 -6.180 -3.304 1.00 0.81 C ATOM 836 O GLN A 54 -17.680 -7.319 -3.752 1.00 0.97 O ATOM 837 CB GLN A 54 -16.969 -4.442 -5.013 1.00 0.94 C ATOM 838 CG GLN A 54 -17.308 -3.105 -5.653 1.00 1.35 C ATOM 839 CD GLN A 54 -18.520 -3.183 -6.564 1.00 1.75 C ATOM 840 OE1 GLN A 54 -18.609 -4.256 -7.341 1.00 2.48 O flip ATOM 841 NE2 GLN A 54 -19.364 -2.287 -6.567 1.00 2.07 N flip ATOM 0 H GLN A 54 -17.961 -3.047 -3.234 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.920 -5.274 -4.665 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -16.037 -4.342 -4.456 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.793 -5.177 -5.799 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.493 -2.369 -4.871 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -16.450 -2.753 -6.226 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -19.254 -1.481 -5.952 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -20.174 -2.351 -7.184 1.00 2.07 H new ATOM 850 N LYS A 55 -16.945 -5.924 -2.142 1.00 0.68 N ATOM 851 CA LYS A 55 -16.399 -6.990 -1.305 1.00 0.73 C ATOM 852 C LYS A 55 -17.485 -7.977 -0.891 1.00 0.86 C ATOM 853 O LYS A 55 -17.195 -9.119 -0.533 1.00 1.12 O ATOM 854 CB LYS A 55 -15.734 -6.397 -0.062 1.00 0.65 C ATOM 855 CG LYS A 55 -14.884 -7.395 0.709 1.00 0.74 C ATOM 856 CD LYS A 55 -14.920 -7.120 2.203 1.00 0.76 C ATOM 857 CE LYS A 55 -16.021 -7.912 2.889 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.590 -8.430 4.217 1.00 1.77 N ATOM 0 H LYS A 55 -16.828 -4.986 -1.758 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.654 -7.528 -1.891 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -15.109 -5.555 -0.361 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.505 -6.002 0.599 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -15.242 -8.406 0.515 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.854 -7.348 0.354 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.957 -7.376 2.644 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -15.076 -6.055 2.374 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.899 -7.279 3.014 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -16.318 -8.746 2.253 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -16.358 -8.993 4.636 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -14.747 -9.028 4.100 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -15.364 -7.632 4.844 1.00 1.77 H new ATOM 872 N GLN A 56 -18.738 -7.531 -0.940 1.00 0.79 N ATOM 873 CA GLN A 56 -19.868 -8.376 -0.569 1.00 0.97 C ATOM 874 C GLN A 56 -19.977 -9.599 -1.480 1.00 1.12 C ATOM 875 O GLN A 56 -20.825 -10.464 -1.266 1.00 1.37 O ATOM 876 CB GLN A 56 -21.171 -7.575 -0.616 1.00 0.96 C ATOM 877 CG GLN A 56 -22.021 -7.723 0.635 1.00 1.58 C ATOM 878 CD GLN A 56 -22.579 -9.125 0.799 1.00 2.14 C ATOM 879 OE1 GLN A 56 -21.776 -10.019 1.363 1.00 2.41 O flip ATOM 880 NE2 GLN A 56 -23.719 -9.400 0.424 1.00 3.02 N flip ATOM 0 H GLN A 56 -18.996 -6.589 -1.233 1.00 0.79 H new ATOM 0 HA GLN A 56 -19.697 -8.726 0.449 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.935 -6.521 -0.762 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -21.753 -7.894 -1.481 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.421 -7.470 1.509 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -22.845 -7.010 0.597 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -24.302 -8.681 -0.005 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -24.080 -10.347 0.542 1.00 3.02 H new ATOM 889 N ARG A 57 -19.119 -9.667 -2.495 1.00 1.15 N ATOM 890 CA ARG A 57 -19.133 -10.792 -3.425 1.00 1.46 C ATOM 891 C ARG A 57 -17.736 -11.088 -3.963 1.00 1.58 C ATOM 892 O ARG A 57 -17.444 -10.837 -5.133 1.00 1.74 O ATOM 893 CB ARG A 57 -20.092 -10.508 -4.585 1.00 1.66 C ATOM 894 CG ARG A 57 -19.924 -9.122 -5.189 1.00 1.38 C ATOM 895 CD ARG A 57 -20.857 -8.912 -6.370 1.00 1.67 C ATOM 896 NE ARG A 57 -20.678 -9.932 -7.401 1.00 1.89 N ATOM 897 CZ ARG A 57 -20.755 -9.685 -8.705 1.00 2.38 C ATOM 898 NH1 ARG A 57 -21.009 -8.456 -9.136 1.00 2.83 N ATOM 899 NH2 ARG A 57 -20.580 -10.666 -9.579 1.00 2.99 N ATOM 0 H ARG A 57 -18.410 -8.961 -2.693 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.478 -11.671 -2.880 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -19.939 -11.255 -5.363 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -21.118 -10.620 -4.233 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.122 -8.366 -4.429 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -18.891 -8.987 -5.511 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -21.890 -8.926 -6.022 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -20.679 -7.927 -6.801 1.00 1.67 H new ATOM 0 HE ARG A 57 -20.483 -10.888 -7.103 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -21.146 -7.699 -8.466 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -21.068 -8.269 -10.137 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -20.386 -11.612 -9.251 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -20.639 -10.475 -10.579 1.00 2.99 H new ATOM 913 N GLY A 58 -16.880 -11.634 -3.100 1.00 1.74 N ATOM 914 CA GLY A 58 -15.522 -11.975 -3.495 1.00 2.05 C ATOM 915 C GLY A 58 -14.837 -10.883 -4.295 1.00 1.56 C ATOM 916 O GLY A 58 -14.800 -10.937 -5.524 1.00 1.61 O ATOM 0 H GLY A 58 -17.105 -11.847 -2.128 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -14.933 -12.185 -2.602 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.542 -12.891 -4.086 1.00 2.05 H new ATOM 920 N ARG A 59 -14.294 -9.890 -3.597 1.00 1.40 N ATOM 921 CA ARG A 59 -13.605 -8.784 -4.255 1.00 1.48 C ATOM 922 C ARG A 59 -12.388 -8.341 -3.448 1.00 1.02 C ATOM 923 O ARG A 59 -12.444 -8.250 -2.221 1.00 1.47 O ATOM 924 CB ARG A 59 -14.559 -7.606 -4.456 1.00 2.32 C ATOM 925 CG ARG A 59 -15.351 -7.682 -5.750 1.00 3.01 C ATOM 926 CD ARG A 59 -14.721 -6.834 -6.843 1.00 3.79 C ATOM 927 NE ARG A 59 -15.582 -6.729 -8.018 1.00 4.29 N ATOM 928 CZ ARG A 59 -15.815 -5.590 -8.666 1.00 4.87 C ATOM 929 NH1 ARG A 59 -15.248 -4.463 -8.256 1.00 5.10 N ATOM 930 NH2 ARG A 59 -16.613 -5.580 -9.724 1.00 5.55 N ATOM 0 H ARG A 59 -14.317 -9.828 -2.579 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.262 -9.132 -5.229 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -15.253 -7.563 -3.617 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -13.986 -6.679 -4.444 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -15.409 -8.719 -6.081 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -16.373 -7.347 -5.572 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -14.514 -5.837 -6.455 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -13.764 -7.268 -7.132 1.00 3.79 H new ATOM 0 HE ARG A 59 -16.031 -7.578 -8.362 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -14.632 -4.468 -7.443 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -15.428 -3.591 -8.754 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -17.049 -6.445 -10.042 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -16.791 -4.707 -10.220 1.00 5.55 H new ATOM 944 N SER A 60 -11.290 -8.065 -4.147 1.00 0.87 N ATOM 945 CA SER A 60 -10.056 -7.631 -3.499 1.00 0.54 C ATOM 946 C SER A 60 -10.204 -6.224 -2.929 1.00 0.42 C ATOM 947 O SER A 60 -10.049 -5.233 -3.645 1.00 0.40 O ATOM 948 CB SER A 60 -8.892 -7.673 -4.491 1.00 0.77 C ATOM 949 OG SER A 60 -7.652 -7.485 -3.832 1.00 1.51 O ATOM 0 H SER A 60 -11.230 -8.134 -5.163 1.00 0.87 H new ATOM 0 HA SER A 60 -9.848 -8.315 -2.676 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.889 -8.630 -5.012 1.00 0.77 H new ATOM 0 HB3 SER A 60 -9.026 -6.899 -5.247 1.00 0.77 H new ATOM 0 HG SER A 60 -6.925 -7.518 -4.488 1.00 1.51 H new ATOM 955 N ALA A 61 -10.506 -6.144 -1.638 1.00 0.38 N ATOM 956 CA ALA A 61 -10.678 -4.862 -0.965 1.00 0.33 C ATOM 957 C ALA A 61 -9.392 -4.040 -0.991 1.00 0.29 C ATOM 958 O ALA A 61 -9.431 -2.817 -1.120 1.00 0.27 O ATOM 959 CB ALA A 61 -11.137 -5.078 0.468 1.00 0.39 C ATOM 0 H ALA A 61 -10.637 -6.956 -1.034 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.442 -4.302 -1.504 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.262 -4.113 0.959 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.088 -5.611 0.469 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.391 -5.665 1.004 1.00 0.39 H new ATOM 965 N SER A 62 -8.255 -4.719 -0.863 1.00 0.33 N ATOM 966 CA SER A 62 -6.957 -4.054 -0.866 1.00 0.34 C ATOM 967 C SER A 62 -6.675 -3.403 -2.216 1.00 0.31 C ATOM 968 O SER A 62 -6.085 -2.325 -2.284 1.00 0.31 O ATOM 969 CB SER A 62 -5.849 -5.052 -0.525 1.00 0.42 C ATOM 970 OG SER A 62 -6.107 -5.698 0.710 1.00 0.66 O ATOM 0 H SER A 62 -8.207 -5.732 -0.756 1.00 0.33 H new ATOM 0 HA SER A 62 -6.979 -3.271 -0.108 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.768 -5.795 -1.318 1.00 0.42 H new ATOM 0 HB3 SER A 62 -4.891 -4.534 -0.475 1.00 0.42 H new ATOM 0 HG SER A 62 -5.385 -6.332 0.905 1.00 0.66 H new ATOM 976 N ASN A 63 -7.096 -4.067 -3.289 1.00 0.32 N ATOM 977 CA ASN A 63 -6.889 -3.550 -4.637 1.00 0.32 C ATOM 978 C ASN A 63 -7.577 -2.200 -4.810 1.00 0.31 C ATOM 979 O ASN A 63 -6.945 -1.215 -5.195 1.00 0.33 O ATOM 980 CB ASN A 63 -7.416 -4.545 -5.675 1.00 0.35 C ATOM 981 CG ASN A 63 -7.583 -3.921 -7.047 1.00 0.92 C ATOM 982 OD1 ASN A 63 -6.646 -3.340 -7.595 1.00 1.40 O ATOM 983 ND2 ASN A 63 -8.780 -4.038 -7.608 1.00 1.79 N ATOM 0 H ASN A 63 -7.582 -4.963 -3.251 1.00 0.32 H new ATOM 0 HA ASN A 63 -5.818 -3.414 -4.789 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -6.730 -5.389 -5.745 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.375 -4.940 -5.340 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -8.952 -3.638 -8.530 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -9.528 -4.528 -7.117 1.00 1.79 H new ATOM 990 N GLU A 64 -8.873 -2.163 -4.522 1.00 0.31 N ATOM 991 CA GLU A 64 -9.647 -0.933 -4.640 1.00 0.33 C ATOM 992 C GLU A 64 -9.156 0.107 -3.640 1.00 0.31 C ATOM 993 O GLU A 64 -9.104 1.299 -3.945 1.00 0.34 O ATOM 994 CB GLU A 64 -11.134 -1.217 -4.414 1.00 0.37 C ATOM 995 CG GLU A 64 -12.050 -0.138 -4.969 1.00 0.87 C ATOM 996 CD GLU A 64 -12.885 -0.627 -6.138 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.718 -1.534 -5.935 1.00 1.72 O ATOM 998 OE2 GLU A 64 -12.706 -0.100 -7.256 1.00 1.66 O ATOM 0 H GLU A 64 -9.410 -2.970 -4.205 1.00 0.31 H new ATOM 0 HA GLU A 64 -9.512 -0.538 -5.647 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.388 -2.171 -4.877 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.317 -1.323 -3.345 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -12.711 0.215 -4.177 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -11.450 0.715 -5.287 1.00 0.87 H new ATOM 1005 N PHE A 65 -8.792 -0.355 -2.447 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.299 0.530 -1.398 1.00 0.29 C ATOM 1007 C PHE A 65 -7.096 1.330 -1.888 1.00 0.30 C ATOM 1008 O PHE A 65 -7.009 2.536 -1.663 1.00 0.33 O ATOM 1009 CB PHE A 65 -7.922 -0.283 -0.153 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.009 0.444 0.796 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.461 1.548 1.503 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.701 0.025 0.981 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.627 2.219 2.377 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -4.862 0.692 1.854 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.317 1.785 2.548 1.00 0.48 C ATOM 0 H PHE A 65 -8.830 -1.340 -2.183 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.094 1.229 -1.137 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.833 -0.562 0.377 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.440 -1.209 -0.468 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.477 1.888 1.369 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.333 -0.832 0.437 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -6.991 3.076 2.924 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -3.846 0.352 1.990 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.658 2.307 3.226 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.171 0.647 -2.556 1.00 0.32 N ATOM 1026 CA LEU A 66 -4.972 1.296 -3.080 1.00 0.35 C ATOM 1027 C LEU A 66 -5.328 2.328 -4.147 1.00 0.37 C ATOM 1028 O LEU A 66 -4.764 3.422 -4.180 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.017 0.253 -3.670 1.00 0.39 C ATOM 1030 CG LEU A 66 -2.707 0.051 -2.899 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -1.957 1.366 -2.754 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -2.981 -0.564 -1.534 1.00 0.61 C ATOM 0 H LEU A 66 -6.228 -0.353 -2.747 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.481 1.808 -2.253 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.538 -0.703 -3.724 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -3.776 0.543 -4.693 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.079 -0.636 -3.467 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.031 1.198 -2.204 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -1.725 1.763 -3.742 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.577 2.080 -2.212 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.040 -0.700 -1.001 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.631 0.097 -0.961 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.469 -1.530 -1.662 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.265 1.969 -5.018 1.00 0.37 N ATOM 1045 CA ASN A 67 -6.696 2.854 -6.098 1.00 0.42 C ATOM 1046 C ASN A 67 -7.338 4.132 -5.560 1.00 0.41 C ATOM 1047 O ASN A 67 -7.302 5.174 -6.214 1.00 0.66 O ATOM 1048 CB ASN A 67 -7.684 2.125 -7.012 1.00 0.47 C ATOM 1049 CG ASN A 67 -7.702 2.693 -8.418 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.213 3.796 -8.662 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.267 1.938 -9.353 1.00 1.48 N ATOM 0 H ASN A 67 -6.743 1.068 -4.998 1.00 0.37 H new ATOM 0 HA ASN A 67 -5.810 3.136 -6.666 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -7.423 1.068 -7.054 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -8.685 2.189 -6.585 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.308 2.266 -10.318 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -8.660 1.030 -9.106 1.00 1.48 H new ATOM 1058 N ILE A 68 -7.924 4.050 -4.369 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.583 5.202 -3.761 1.00 0.35 C ATOM 1060 C ILE A 68 -7.633 5.989 -2.859 1.00 0.35 C ATOM 1061 O ILE A 68 -7.744 7.210 -2.744 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.816 4.771 -2.940 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -10.768 3.943 -3.805 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.534 5.989 -2.377 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.543 2.902 -3.027 1.00 0.52 C ATOM 0 H ILE A 68 -7.956 3.200 -3.807 1.00 0.33 H new ATOM 0 HA ILE A 68 -8.901 5.845 -4.581 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.478 4.155 -2.107 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.471 4.613 -4.300 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.195 3.447 -4.588 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.401 5.666 -1.801 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.855 6.545 -1.730 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.861 6.630 -3.196 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.197 2.354 -3.705 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -10.847 2.209 -2.554 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.143 3.393 -2.261 1.00 0.52 H new ATOM 1077 N TRP A 69 -6.700 5.287 -2.226 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.741 5.922 -1.328 1.00 0.38 C ATOM 1079 C TRP A 69 -4.702 6.729 -2.106 1.00 0.45 C ATOM 1080 O TRP A 69 -4.063 7.625 -1.555 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.048 4.864 -0.466 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.143 5.441 0.581 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.458 6.399 1.502 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -2.773 5.094 0.815 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.367 6.670 2.294 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.321 5.881 1.891 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -1.886 4.195 0.219 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.020 5.795 2.382 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -0.596 4.109 0.707 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.173 4.904 1.779 1.00 0.63 C ATOM 0 H TRP A 69 -6.587 4.277 -2.318 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.287 6.610 -0.683 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -5.806 4.250 0.020 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -4.468 4.204 -1.112 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.423 6.874 1.595 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.340 7.347 3.056 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.203 3.578 -0.609 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.692 6.409 3.208 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 0.098 3.417 0.254 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.842 4.813 2.138 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.543 6.407 -3.384 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.577 7.111 -4.212 1.00 0.74 C ATOM 1103 C GLY A 70 -4.173 7.592 -5.520 1.00 0.86 C ATOM 1104 O GLY A 70 -3.445 7.890 -6.467 1.00 1.08 O ATOM 0 H GLY A 70 -5.064 5.672 -3.863 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.184 7.965 -3.660 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -2.734 6.452 -4.421 1.00 0.74 H new ATOM 1108 N GLY A 71 -5.499 7.670 -5.572 1.00 0.96 N ATOM 1109 CA GLY A 71 -6.169 8.119 -6.778 1.00 1.16 C ATOM 1110 C GLY A 71 -6.939 9.408 -6.571 1.00 1.26 C ATOM 1111 O GLY A 71 -7.503 9.960 -7.516 1.00 1.54 O ATOM 0 H GLY A 71 -6.121 7.430 -4.800 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -5.431 8.264 -7.567 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -6.853 7.342 -7.120 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.961 9.890 -5.332 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.668 11.123 -5.004 1.00 1.31 C ATOM 1117 C GLN A 72 -7.031 11.817 -3.805 1.00 1.31 C ATOM 1118 O GLN A 72 -7.528 12.839 -3.331 1.00 1.64 O ATOM 1119 CB GLN A 72 -9.140 10.827 -4.716 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.345 9.917 -3.520 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.774 9.926 -3.015 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.708 9.612 -3.753 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.953 10.289 -1.750 1.00 1.99 N ATOM 0 H GLN A 72 -6.498 9.446 -4.539 1.00 1.15 H new ATOM 0 HA GLN A 72 -7.599 11.791 -5.862 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -9.666 11.766 -4.544 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -9.590 10.367 -5.596 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -9.067 8.899 -3.792 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.678 10.226 -2.715 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.150 10.541 -1.173 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.893 10.315 -1.355 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.929 11.255 -3.317 1.00 1.08 N ATOM 1133 CA TYR A 73 -5.225 11.821 -2.171 1.00 1.16 C ATOM 1134 C TYR A 73 -3.787 12.174 -2.530 1.00 1.24 C ATOM 1135 O TYR A 73 -3.208 13.099 -1.960 1.00 1.49 O ATOM 1136 CB TYR A 73 -5.236 10.833 -1.003 1.00 1.13 C ATOM 1137 CG TYR A 73 -6.513 10.858 -0.192 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -6.988 12.044 0.354 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -7.245 9.697 0.027 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -8.155 12.072 1.094 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -8.412 9.717 0.765 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.859 10.900 1.300 1.00 1.27 C ATOM 1143 OH TYR A 73 -10.024 10.930 2.033 1.00 1.38 O ATOM 0 H TYR A 73 -5.505 10.409 -3.697 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.742 12.734 -1.878 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -5.083 9.826 -1.390 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -4.395 11.053 -0.345 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -6.436 12.959 0.198 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.895 8.763 -0.387 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -8.514 13.002 1.508 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.971 8.806 0.921 1.00 0.97 H new ATOM 0 HH TYR A 73 -10.400 10.027 2.086 1.00 1.38 H new ATOM 1153 N ASN A 74 -3.221 11.433 -3.481 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.845 11.655 -3.921 1.00 1.34 C ATOM 1155 C ASN A 74 -0.862 11.396 -2.782 1.00 0.95 C ATOM 1156 O ASN A 74 -0.925 12.037 -1.733 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.673 13.081 -4.450 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.266 13.111 -5.910 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -0.203 13.624 -6.260 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -2.112 12.559 -6.773 1.00 3.10 N ATOM 0 H ASN A 74 -3.697 10.670 -3.963 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.632 10.953 -4.728 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -2.608 13.627 -4.325 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.920 13.598 -3.855 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -1.891 12.549 -7.769 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -2.983 12.145 -6.440 1.00 3.10 H new ATOM 1167 N HIS A 75 0.052 10.454 -2.997 1.00 0.64 N ATOM 1168 CA HIS A 75 1.045 10.108 -1.987 1.00 0.65 C ATOM 1169 C HIS A 75 2.249 9.412 -2.619 1.00 0.56 C ATOM 1170 O HIS A 75 2.543 9.615 -3.797 1.00 1.01 O ATOM 1171 CB HIS A 75 0.412 9.206 -0.924 1.00 1.06 C ATOM 1172 CG HIS A 75 0.810 9.549 0.481 1.00 1.69 C ATOM 1173 ND1 HIS A 75 0.152 9.056 1.589 1.00 2.23 N ATOM 1174 CD2 HIS A 75 1.801 10.340 0.959 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.722 9.528 2.684 1.00 2.72 C ATOM 1176 NE2 HIS A 75 1.723 10.310 2.329 1.00 2.80 N ATOM 0 H HIS A 75 0.125 9.917 -3.861 1.00 0.64 H new ATOM 0 HA HIS A 75 1.394 11.028 -1.518 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.673 9.268 -1.009 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.690 8.172 -1.127 1.00 1.06 H new ATOM 0 HD2 HIS A 75 2.519 10.892 0.371 1.00 2.43 H new ATOM 0 HE1 HIS A 75 0.419 9.310 3.698 1.00 2.72 H new ATOM 0 HE2 HIS A 75 2.339 10.811 2.969 1.00 2.80 H new ATOM 1185 N THR A 76 2.941 8.588 -1.834 1.00 0.64 N ATOM 1186 CA THR A 76 4.114 7.868 -2.321 1.00 0.64 C ATOM 1187 C THR A 76 4.194 6.470 -1.713 1.00 0.51 C ATOM 1188 O THR A 76 3.600 6.201 -0.669 1.00 0.43 O ATOM 1189 CB THR A 76 5.419 8.624 -1.994 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.610 8.680 -0.576 1.00 1.17 O ATOM 1191 CG2 THR A 76 5.391 10.036 -2.561 1.00 1.07 C ATOM 0 H THR A 76 2.709 8.403 -0.858 1.00 0.64 H new ATOM 0 HA THR A 76 4.006 7.791 -3.403 1.00 0.64 H new ATOM 0 HB THR A 76 6.247 8.084 -2.454 1.00 0.89 H new ATOM 0 HG1 THR A 76 6.441 9.160 -0.377 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.323 10.545 -2.315 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.277 9.991 -3.644 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.553 10.585 -2.130 1.00 1.07 H new ATOM 1199 N VAL A 77 4.930 5.585 -2.379 1.00 0.53 N ATOM 1200 CA VAL A 77 5.089 4.210 -1.916 1.00 0.49 C ATOM 1201 C VAL A 77 5.820 4.145 -0.579 1.00 0.40 C ATOM 1202 O VAL A 77 5.823 3.108 0.084 1.00 0.39 O ATOM 1203 CB VAL A 77 5.857 3.356 -2.942 1.00 0.61 C ATOM 1204 CG1 VAL A 77 4.949 2.958 -4.094 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.081 4.103 -3.451 1.00 1.25 C ATOM 0 H VAL A 77 5.427 5.797 -3.244 1.00 0.53 H new ATOM 0 HA VAL A 77 4.082 3.810 -1.792 1.00 0.49 H new ATOM 0 HB VAL A 77 6.196 2.446 -2.447 1.00 0.61 H new ATOM 0 HG11 VAL A 77 5.510 2.355 -4.808 1.00 1.22 H new ATOM 0 HG12 VAL A 77 4.109 2.379 -3.712 1.00 1.22 H new ATOM 0 HG13 VAL A 77 4.576 3.854 -4.590 1.00 1.22 H new ATOM 0 HG21 VAL A 77 7.610 3.483 -4.175 1.00 1.25 H new ATOM 0 HG22 VAL A 77 6.768 5.032 -3.928 1.00 1.25 H new ATOM 0 HG23 VAL A 77 7.743 4.330 -2.615 1.00 1.25 H new ATOM 1215 N GLN A 78 6.444 5.253 -0.188 1.00 0.42 N ATOM 1216 CA GLN A 78 7.178 5.310 1.073 1.00 0.42 C ATOM 1217 C GLN A 78 6.267 4.976 2.247 1.00 0.37 C ATOM 1218 O GLN A 78 6.562 4.078 3.037 1.00 0.35 O ATOM 1219 CB GLN A 78 7.801 6.694 1.267 1.00 0.54 C ATOM 1220 CG GLN A 78 9.297 6.655 1.536 1.00 1.05 C ATOM 1221 CD GLN A 78 9.730 7.666 2.580 1.00 1.49 C ATOM 1222 OE1 GLN A 78 8.948 8.053 3.448 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.983 8.100 2.499 1.00 1.87 N ATOM 0 H GLN A 78 6.456 6.121 -0.724 1.00 0.42 H new ATOM 0 HA GLN A 78 7.975 4.568 1.034 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.616 7.295 0.377 1.00 0.54 H new ATOM 0 HB3 GLN A 78 7.304 7.194 2.098 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.577 5.655 1.867 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.834 6.845 0.607 1.00 1.05 H new ATOM 0 HE21 GLN A 78 11.597 7.752 1.762 1.00 1.87 H new ATOM 0 HE22 GLN A 78 11.331 8.781 3.173 1.00 1.87 H new ATOM 1232 N THR A 79 5.161 5.706 2.360 1.00 0.42 N ATOM 1233 CA THR A 79 4.203 5.481 3.437 1.00 0.45 C ATOM 1234 C THR A 79 3.732 4.031 3.455 1.00 0.39 C ATOM 1235 O THR A 79 3.483 3.460 4.518 1.00 0.40 O ATOM 1236 CB THR A 79 2.979 6.406 3.304 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.405 7.745 3.025 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.146 6.389 4.576 1.00 0.71 C ATOM 0 H THR A 79 4.906 6.458 1.719 1.00 0.42 H new ATOM 0 HA THR A 79 4.717 5.706 4.371 1.00 0.45 H new ATOM 0 HB THR A 79 2.364 6.041 2.481 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.962 8.364 3.642 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.287 7.050 4.457 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.799 5.374 4.770 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.754 6.731 5.414 1.00 0.71 H new ATOM 1246 N LEU A 80 3.612 3.441 2.269 1.00 0.35 N ATOM 1247 CA LEU A 80 3.173 2.055 2.139 1.00 0.34 C ATOM 1248 C LEU A 80 4.138 1.112 2.852 1.00 0.32 C ATOM 1249 O LEU A 80 3.728 0.097 3.415 1.00 0.34 O ATOM 1250 CB LEU A 80 3.063 1.672 0.661 1.00 0.37 C ATOM 1251 CG LEU A 80 2.609 0.236 0.390 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.141 0.065 0.749 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.847 -0.130 -1.066 1.00 0.50 C ATOM 0 H LEU A 80 3.813 3.903 1.382 1.00 0.35 H new ATOM 0 HA LEU A 80 2.192 1.962 2.605 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.364 2.354 0.177 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.034 1.824 0.190 1.00 0.37 H new ATOM 0 HG LEU A 80 3.197 -0.436 1.015 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.835 -0.962 0.550 1.00 0.47 H new ATOM 0 HD12 LEU A 80 0.997 0.288 1.806 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.538 0.746 0.149 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.519 -1.154 -1.242 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.284 0.547 -1.708 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.910 -0.045 -1.293 1.00 0.50 H new ATOM 1265 N PHE A 81 5.422 1.451 2.816 1.00 0.33 N ATOM 1266 CA PHE A 81 6.449 0.639 3.461 1.00 0.36 C ATOM 1267 C PHE A 81 6.223 0.565 4.968 1.00 0.37 C ATOM 1268 O PHE A 81 6.032 -0.515 5.526 1.00 0.38 O ATOM 1269 CB PHE A 81 7.836 1.210 3.166 1.00 0.41 C ATOM 1270 CG PHE A 81 8.941 0.200 3.292 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.570 -0.012 4.508 1.00 0.55 C ATOM 1272 CD2 PHE A 81 9.353 -0.537 2.192 1.00 0.59 C ATOM 1273 CE1 PHE A 81 10.586 -0.941 4.627 1.00 0.67 C ATOM 1274 CE2 PHE A 81 10.370 -1.467 2.305 1.00 0.71 C ATOM 1275 CZ PHE A 81 10.987 -1.669 3.524 1.00 0.73 C ATOM 0 H PHE A 81 5.777 2.284 2.346 1.00 0.33 H new ATOM 0 HA PHE A 81 6.385 -0.371 3.057 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.844 1.620 2.156 1.00 0.41 H new ATOM 0 HB3 PHE A 81 8.032 2.037 3.848 1.00 0.41 H new ATOM 0 HD1 PHE A 81 9.262 0.556 5.374 1.00 0.55 H new ATOM 0 HD2 PHE A 81 8.874 -0.383 1.236 1.00 0.59 H new ATOM 0 HE1 PHE A 81 11.066 -1.098 5.582 1.00 0.67 H new ATOM 0 HE2 PHE A 81 10.682 -2.035 1.441 1.00 0.71 H new ATOM 0 HZ PHE A 81 11.782 -2.395 3.615 1.00 0.73 H new ATOM 1285 N ALA A 82 6.247 1.725 5.621 1.00 0.45 N ATOM 1286 CA ALA A 82 6.051 1.800 7.066 1.00 0.52 C ATOM 1287 C ALA A 82 4.674 1.282 7.473 1.00 0.45 C ATOM 1288 O ALA A 82 4.444 0.958 8.639 1.00 0.43 O ATOM 1289 CB ALA A 82 6.238 3.231 7.547 1.00 0.67 C ATOM 0 H ALA A 82 6.401 2.627 5.171 1.00 0.45 H new ATOM 0 HA ALA A 82 6.799 1.162 7.538 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.089 3.275 8.626 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.246 3.567 7.306 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.512 3.878 7.054 1.00 0.67 H new ATOM 1295 N LEU A 83 3.763 1.206 6.509 1.00 0.44 N ATOM 1296 CA LEU A 83 2.409 0.731 6.774 1.00 0.41 C ATOM 1297 C LEU A 83 2.415 -0.737 7.191 1.00 0.36 C ATOM 1298 O LEU A 83 1.988 -1.078 8.295 1.00 0.36 O ATOM 1299 CB LEU A 83 1.530 0.922 5.535 1.00 0.46 C ATOM 1300 CG LEU A 83 0.087 0.433 5.674 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.848 1.597 5.959 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.344 -0.304 4.415 1.00 1.23 C ATOM 0 H LEU A 83 3.937 1.467 5.538 1.00 0.44 H new ATOM 0 HA LEU A 83 1.999 1.317 7.596 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.514 1.982 5.281 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.994 0.401 4.697 1.00 0.46 H new ATOM 0 HG LEU A 83 0.036 -0.258 6.515 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.869 1.228 6.054 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.550 2.084 6.887 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.796 2.314 5.140 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.373 -0.646 4.528 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.277 0.368 3.559 1.00 1.23 H new ATOM 0 HD23 LEU A 83 0.308 -1.162 4.254 1.00 1.23 H new ATOM 1314 N PHE A 84 2.897 -1.603 6.304 1.00 0.37 N ATOM 1315 CA PHE A 84 2.958 -3.034 6.584 1.00 0.39 C ATOM 1316 C PHE A 84 3.805 -3.314 7.822 1.00 0.39 C ATOM 1317 O PHE A 84 3.548 -4.267 8.558 1.00 0.41 O ATOM 1318 CB PHE A 84 3.532 -3.789 5.383 1.00 0.45 C ATOM 1319 CG PHE A 84 2.746 -3.604 4.114 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.363 -3.722 4.113 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.390 -3.313 2.923 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.642 -3.553 2.946 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.673 -3.143 1.755 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.298 -3.264 1.766 1.00 0.42 C ATOM 0 H PHE A 84 3.251 -1.338 5.385 1.00 0.37 H new ATOM 0 HA PHE A 84 1.942 -3.381 6.773 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.557 -3.459 5.215 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.574 -4.852 5.621 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.845 -3.948 5.033 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.466 -3.218 2.907 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.434 -3.647 2.957 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.188 -2.915 0.833 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.736 -3.133 0.853 1.00 0.42 H new ATOM 1334 N LYS A 85 4.819 -2.480 8.041 1.00 0.43 N ATOM 1335 CA LYS A 85 5.714 -2.635 9.185 1.00 0.47 C ATOM 1336 C LYS A 85 4.938 -2.691 10.499 1.00 0.48 C ATOM 1337 O LYS A 85 5.400 -3.279 11.476 1.00 0.51 O ATOM 1338 CB LYS A 85 6.722 -1.485 9.226 1.00 0.56 C ATOM 1339 CG LYS A 85 8.166 -1.948 9.336 1.00 0.83 C ATOM 1340 CD LYS A 85 9.127 -0.770 9.359 1.00 0.64 C ATOM 1341 CE LYS A 85 10.260 -0.995 10.347 1.00 1.03 C ATOM 1342 NZ LYS A 85 9.895 -0.551 11.720 1.00 1.59 N ATOM 0 H LYS A 85 5.042 -1.687 7.439 1.00 0.43 H new ATOM 0 HA LYS A 85 6.245 -3.579 9.065 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.610 -0.882 8.325 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.490 -0.839 10.073 1.00 0.56 H new ATOM 0 HG2 LYS A 85 8.292 -2.540 10.243 1.00 0.83 H new ATOM 0 HG3 LYS A 85 8.406 -2.599 8.495 1.00 0.83 H new ATOM 0 HD2 LYS A 85 9.538 -0.615 8.361 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.585 0.138 9.625 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.521 -2.053 10.365 1.00 1.03 H new ATOM 0 HE3 LYS A 85 11.145 -0.454 10.014 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 10.694 -0.721 12.364 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.670 0.464 11.708 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 9.066 -1.085 12.049 1.00 1.59 H new ATOM 1356 N LYS A 86 3.759 -2.075 10.517 1.00 0.52 N ATOM 1357 CA LYS A 86 2.925 -2.054 11.714 1.00 0.59 C ATOM 1358 C LYS A 86 2.593 -3.469 12.176 1.00 0.61 C ATOM 1359 O LYS A 86 2.734 -3.796 13.355 1.00 0.69 O ATOM 1360 CB LYS A 86 1.633 -1.276 11.451 1.00 0.71 C ATOM 1361 CG LYS A 86 0.795 -1.052 12.700 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.599 -0.555 12.354 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.512 -1.699 11.941 1.00 1.84 C ATOM 1364 NZ LYS A 86 -1.652 -1.793 10.462 1.00 2.31 N ATOM 0 H LYS A 86 3.360 -1.584 9.717 1.00 0.52 H new ATOM 0 HA LYS A 86 3.487 -1.556 12.504 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.883 -0.310 11.013 1.00 0.71 H new ATOM 0 HB3 LYS A 86 1.037 -1.815 10.715 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.721 -1.983 13.262 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.290 -0.328 13.347 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.026 -0.039 13.214 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.537 0.172 11.545 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.115 -2.638 12.328 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -2.495 -1.559 12.390 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -2.629 -1.560 10.190 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -0.998 -1.124 10.008 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -1.428 -2.760 10.153 1.00 2.31 H new ATOM 1378 N LEU A 87 2.150 -4.306 11.242 1.00 0.61 N ATOM 1379 CA LEU A 87 1.795 -5.684 11.558 1.00 0.70 C ATOM 1380 C LEU A 87 2.975 -6.623 11.326 1.00 0.63 C ATOM 1381 O LEU A 87 2.851 -7.839 11.477 1.00 0.74 O ATOM 1382 CB LEU A 87 0.597 -6.132 10.718 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.606 -6.622 11.523 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.904 -6.230 10.835 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -0.535 -8.129 11.720 1.00 1.46 C ATOM 0 H LEU A 87 2.029 -4.053 10.261 1.00 0.61 H new ATOM 0 HA LEU A 87 1.526 -5.727 12.613 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.281 -5.299 10.090 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.919 -6.931 10.050 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.583 -6.147 12.504 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.750 -6.587 11.423 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.956 -5.145 10.747 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.938 -6.676 9.841 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -1.399 -8.462 12.295 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -0.533 -8.623 10.749 1.00 1.46 H new ATOM 0 HD23 LEU A 87 0.378 -8.383 12.258 1.00 1.46 H new ATOM 1397 N LYS A 88 4.117 -6.048 10.959 1.00 0.52 N ATOM 1398 CA LYS A 88 5.325 -6.828 10.707 1.00 0.53 C ATOM 1399 C LYS A 88 5.079 -7.894 9.642 1.00 0.51 C ATOM 1400 O LYS A 88 5.348 -9.077 9.858 1.00 0.56 O ATOM 1401 CB LYS A 88 5.817 -7.480 12.003 1.00 0.69 C ATOM 1402 CG LYS A 88 6.841 -6.646 12.755 1.00 1.16 C ATOM 1403 CD LYS A 88 6.903 -7.029 14.225 1.00 1.45 C ATOM 1404 CE LYS A 88 6.277 -5.960 15.105 1.00 2.05 C ATOM 1405 NZ LYS A 88 6.617 -6.153 16.542 1.00 2.87 N ATOM 0 H LYS A 88 4.231 -5.043 10.829 1.00 0.52 H new ATOM 0 HA LYS A 88 6.094 -6.149 10.337 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.962 -7.664 12.654 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.254 -8.451 11.768 1.00 0.69 H new ATOM 0 HG2 LYS A 88 7.823 -6.779 12.302 1.00 1.16 H new ATOM 0 HG3 LYS A 88 6.589 -5.590 12.664 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.386 -7.976 14.378 1.00 1.45 H new ATOM 0 HD3 LYS A 88 7.941 -7.182 14.519 1.00 1.45 H new ATOM 0 HE2 LYS A 88 6.618 -4.977 14.780 1.00 2.05 H new ATOM 0 HE3 LYS A 88 5.194 -5.978 14.983 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 6.171 -5.403 17.108 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 6.269 -7.080 16.860 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 7.649 -6.110 16.663 1.00 2.87 H new ATOM 1419 N LEU A 89 4.566 -7.470 8.491 1.00 0.47 N ATOM 1420 CA LEU A 89 4.289 -8.389 7.392 1.00 0.46 C ATOM 1421 C LEU A 89 5.513 -8.540 6.495 1.00 0.45 C ATOM 1422 O LEU A 89 5.594 -7.931 5.428 1.00 0.43 O ATOM 1423 CB LEU A 89 3.095 -7.896 6.571 1.00 0.48 C ATOM 1424 CG LEU A 89 1.825 -7.616 7.377 1.00 0.78 C ATOM 1425 CD1 LEU A 89 1.184 -6.314 6.927 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.843 -8.770 7.239 1.00 1.31 C ATOM 0 H LEU A 89 4.334 -6.496 8.295 1.00 0.47 H new ATOM 0 HA LEU A 89 4.046 -9.363 7.816 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.384 -6.984 6.049 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.866 -8.640 5.808 1.00 0.48 H new ATOM 0 HG LEU A 89 2.098 -7.519 8.428 1.00 0.78 H new ATOM 0 HD11 LEU A 89 0.282 -6.131 7.511 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.885 -5.493 7.076 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.924 -6.382 5.871 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.055 -8.555 7.818 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.576 -8.897 6.190 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.303 -9.686 7.610 1.00 1.31 H new ATOM 1438 N HIS A 90 6.464 -9.356 6.941 1.00 0.55 N ATOM 1439 CA HIS A 90 7.693 -9.593 6.192 1.00 0.64 C ATOM 1440 C HIS A 90 7.396 -10.033 4.760 1.00 0.60 C ATOM 1441 O HIS A 90 8.133 -9.700 3.834 1.00 0.69 O ATOM 1442 CB HIS A 90 8.541 -10.654 6.894 1.00 0.81 C ATOM 1443 CG HIS A 90 9.881 -10.154 7.337 1.00 0.97 C ATOM 1444 ND1 HIS A 90 11.059 -10.500 6.709 1.00 1.62 N ATOM 1445 CD2 HIS A 90 10.227 -9.331 8.355 1.00 0.98 C ATOM 1446 CE1 HIS A 90 12.071 -9.912 7.323 1.00 1.84 C ATOM 1447 NE2 HIS A 90 11.593 -9.197 8.323 1.00 1.38 N ATOM 0 H HIS A 90 6.406 -9.866 7.822 1.00 0.55 H new ATOM 0 HA HIS A 90 8.246 -8.654 6.152 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.997 -11.027 7.762 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.682 -11.499 6.220 1.00 0.81 H new ATOM 0 HD2 HIS A 90 9.554 -8.867 9.061 1.00 0.98 H new ATOM 0 HE1 HIS A 90 13.113 -10.002 7.052 1.00 1.84 H new ATOM 0 HE2 HIS A 90 12.148 -8.635 8.968 1.00 1.38 H new ATOM 1456 N ASN A 91 6.312 -10.784 4.588 1.00 0.54 N ATOM 1457 CA ASN A 91 5.922 -11.272 3.270 1.00 0.55 C ATOM 1458 C ASN A 91 5.561 -10.116 2.342 1.00 0.46 C ATOM 1459 O ASN A 91 6.164 -9.947 1.284 1.00 0.45 O ATOM 1460 CB ASN A 91 4.741 -12.235 3.387 1.00 0.63 C ATOM 1461 CG ASN A 91 5.173 -13.634 3.780 1.00 1.13 C ATOM 1462 OD1 ASN A 91 6.240 -14.121 3.157 1.00 1.98 O flip ATOM 1463 ND2 ASN A 91 4.556 -14.270 4.635 1.00 1.60 N flip ATOM 0 H ASN A 91 5.689 -11.067 5.344 1.00 0.54 H new ATOM 0 HA ASN A 91 6.773 -11.802 2.843 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.037 -11.854 4.127 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.212 -12.275 2.435 1.00 0.63 H new ATOM 0 HD21 ASN A 91 3.741 -13.857 5.089 1.00 1.60 H new ATOM 0 HD22 ASN A 91 4.860 -15.210 4.890 1.00 1.60 H new ATOM 1470 N ALA A 92 4.571 -9.328 2.744 1.00 0.42 N ATOM 1471 CA ALA A 92 4.129 -8.187 1.950 1.00 0.39 C ATOM 1472 C ALA A 92 5.292 -7.251 1.627 1.00 0.36 C ATOM 1473 O ALA A 92 5.327 -6.634 0.561 1.00 0.38 O ATOM 1474 CB ALA A 92 3.032 -7.431 2.685 1.00 0.41 C ATOM 0 H ALA A 92 4.058 -9.458 3.616 1.00 0.42 H new ATOM 0 HA ALA A 92 3.732 -8.565 1.008 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.710 -6.581 2.083 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.185 -8.095 2.858 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.414 -7.074 3.641 1.00 0.41 H new ATOM 1480 N MET A 93 6.240 -7.153 2.553 1.00 0.39 N ATOM 1481 CA MET A 93 7.403 -6.287 2.376 1.00 0.43 C ATOM 1482 C MET A 93 8.216 -6.673 1.142 1.00 0.40 C ATOM 1483 O MET A 93 8.401 -5.861 0.235 1.00 0.39 O ATOM 1484 CB MET A 93 8.294 -6.337 3.620 1.00 0.55 C ATOM 1485 CG MET A 93 7.702 -5.617 4.821 1.00 0.71 C ATOM 1486 SD MET A 93 8.713 -4.227 5.368 1.00 1.06 S ATOM 1487 CE MET A 93 10.072 -5.085 6.160 1.00 1.29 C ATOM 0 H MET A 93 6.227 -7.663 3.436 1.00 0.39 H new ATOM 0 HA MET A 93 7.035 -5.271 2.231 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.476 -7.379 3.885 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.261 -5.895 3.382 1.00 0.55 H new ATOM 0 HG2 MET A 93 6.704 -5.258 4.569 1.00 0.71 H new ATOM 0 HG3 MET A 93 7.588 -6.324 5.643 1.00 0.71 H new ATOM 0 HE1 MET A 93 10.784 -4.357 6.550 1.00 1.29 H new ATOM 0 HE2 MET A 93 9.690 -5.694 6.979 1.00 1.29 H new ATOM 0 HE3 MET A 93 10.571 -5.726 5.433 1.00 1.29 H new ATOM 1497 N ARG A 94 8.700 -7.914 1.111 1.00 0.44 N ATOM 1498 CA ARG A 94 9.506 -8.394 -0.010 1.00 0.45 C ATOM 1499 C ARG A 94 8.768 -8.243 -1.337 1.00 0.44 C ATOM 1500 O ARG A 94 9.391 -8.150 -2.395 1.00 0.49 O ATOM 1501 CB ARG A 94 9.907 -9.858 0.203 1.00 0.55 C ATOM 1502 CG ARG A 94 8.734 -10.824 0.205 1.00 1.28 C ATOM 1503 CD ARG A 94 9.160 -12.219 -0.220 1.00 1.44 C ATOM 1504 NE ARG A 94 10.093 -12.820 0.729 1.00 1.97 N ATOM 1505 CZ ARG A 94 10.861 -13.869 0.446 1.00 2.47 C ATOM 1506 NH1 ARG A 94 10.802 -14.436 -0.751 1.00 2.58 N ATOM 1507 NH2 ARG A 94 11.688 -14.353 1.363 1.00 3.39 N ATOM 0 H ARG A 94 8.548 -8.603 1.847 1.00 0.44 H new ATOM 0 HA ARG A 94 10.406 -7.780 -0.052 1.00 0.45 H new ATOM 0 HB2 ARG A 94 10.605 -10.151 -0.581 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.438 -9.945 1.151 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.296 -10.864 1.202 1.00 1.28 H new ATOM 0 HG3 ARG A 94 7.959 -10.458 -0.469 1.00 1.28 H new ATOM 0 HD2 ARG A 94 8.279 -12.854 -0.314 1.00 1.44 H new ATOM 0 HD3 ARG A 94 9.625 -12.172 -1.205 1.00 1.44 H new ATOM 0 HE ARG A 94 10.160 -12.413 1.662 1.00 1.97 H new ATOM 0 HH11 ARG A 94 10.166 -14.068 -1.459 1.00 2.58 H new ATOM 0 HH12 ARG A 94 11.392 -15.240 -0.964 1.00 2.58 H new ATOM 0 HH21 ARG A 94 11.735 -13.921 2.286 1.00 3.39 H new ATOM 0 HH22 ARG A 94 12.276 -15.157 1.145 1.00 3.39 H new ATOM 1521 N LEU A 95 7.439 -8.214 -1.278 1.00 0.44 N ATOM 1522 CA LEU A 95 6.629 -8.072 -2.482 1.00 0.47 C ATOM 1523 C LEU A 95 6.820 -6.692 -3.105 1.00 0.46 C ATOM 1524 O LEU A 95 6.818 -6.547 -4.329 1.00 0.52 O ATOM 1525 CB LEU A 95 5.152 -8.303 -2.162 1.00 0.53 C ATOM 1526 CG LEU A 95 4.599 -9.657 -2.609 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.500 -10.609 -1.428 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.241 -9.485 -3.274 1.00 0.67 C ATOM 0 H LEU A 95 6.903 -8.287 -0.413 1.00 0.44 H new ATOM 0 HA LEU A 95 6.956 -8.824 -3.200 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.009 -8.206 -1.086 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.566 -7.514 -2.633 1.00 0.53 H new ATOM 0 HG LEU A 95 5.286 -10.086 -3.338 1.00 0.55 H new ATOM 0 HD11 LEU A 95 4.105 -11.567 -1.765 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.490 -10.757 -0.996 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.835 -10.187 -0.675 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.863 -10.459 -3.586 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.544 -9.034 -2.567 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.342 -8.839 -4.146 1.00 0.67 H new ATOM 1540 N ILE A 96 6.987 -5.680 -2.257 1.00 0.43 N ATOM 1541 CA ILE A 96 7.183 -4.311 -2.727 1.00 0.50 C ATOM 1542 C ILE A 96 8.501 -3.738 -2.213 1.00 0.61 C ATOM 1543 O ILE A 96 8.573 -2.572 -1.822 1.00 1.29 O ATOM 1544 CB ILE A 96 6.025 -3.391 -2.288 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.805 -3.489 -0.776 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.750 -3.749 -3.039 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.702 -2.142 -0.092 1.00 0.48 C ATOM 0 H ILE A 96 6.991 -5.782 -1.242 1.00 0.43 H new ATOM 0 HA ILE A 96 7.208 -4.351 -3.816 1.00 0.50 H new ATOM 0 HB ILE A 96 6.290 -2.362 -2.529 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.893 -4.055 -0.585 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.627 -4.051 -0.333 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.942 -3.091 -2.718 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.913 -3.629 -4.110 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.481 -4.784 -2.827 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.547 -2.288 0.977 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.623 -1.581 -0.252 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.862 -1.586 -0.508 1.00 0.48 H new ATOM 1559 N LYS A 97 9.542 -4.566 -2.222 1.00 0.66 N ATOM 1560 CA LYS A 97 10.859 -4.146 -1.756 1.00 0.66 C ATOM 1561 C LYS A 97 11.770 -3.790 -2.929 1.00 0.82 C ATOM 1562 O LYS A 97 12.873 -4.325 -3.058 1.00 1.43 O ATOM 1563 CB LYS A 97 11.498 -5.252 -0.913 1.00 0.74 C ATOM 1564 CG LYS A 97 11.343 -5.040 0.583 1.00 1.33 C ATOM 1565 CD LYS A 97 12.684 -4.790 1.252 1.00 1.77 C ATOM 1566 CE LYS A 97 12.688 -5.282 2.689 1.00 2.29 C ATOM 1567 NZ LYS A 97 12.561 -6.763 2.769 1.00 2.85 N ATOM 0 H LYS A 97 9.498 -5.532 -2.547 1.00 0.66 H new ATOM 0 HA LYS A 97 10.732 -3.255 -1.141 1.00 0.66 H new ATOM 0 HB2 LYS A 97 11.052 -6.209 -1.184 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.559 -5.315 -1.155 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.681 -4.193 0.765 1.00 1.33 H new ATOM 0 HG3 LYS A 97 10.871 -5.915 1.029 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.471 -5.294 0.691 1.00 1.77 H new ATOM 0 HD3 LYS A 97 12.910 -3.724 1.230 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.611 -4.970 3.177 1.00 2.29 H new ATOM 0 HE3 LYS A 97 11.867 -4.817 3.234 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 12.992 -7.101 3.653 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 11.555 -7.027 2.751 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 13.047 -7.197 1.959 1.00 2.85 H new ATOM 1581 N ASP A 98 11.301 -2.882 -3.779 1.00 0.74 N ATOM 1582 CA ASP A 98 12.073 -2.450 -4.943 1.00 0.85 C ATOM 1583 C ASP A 98 11.403 -1.281 -5.666 1.00 0.73 C ATOM 1584 O ASP A 98 11.834 -0.886 -6.749 1.00 0.84 O ATOM 1585 CB ASP A 98 12.255 -3.616 -5.919 1.00 1.04 C ATOM 1586 CG ASP A 98 13.528 -3.496 -6.735 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.612 -3.371 -6.128 1.00 1.63 O ATOM 1588 OD2 ASP A 98 13.441 -3.528 -7.980 1.00 1.64 O ATOM 0 H ASP A 98 10.391 -2.430 -3.685 1.00 0.74 H new ATOM 0 HA ASP A 98 13.045 -2.114 -4.583 1.00 0.85 H new ATOM 0 HB2 ASP A 98 12.271 -4.553 -5.362 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.399 -3.660 -6.592 1.00 1.04 H new ATOM 1593 N TYR A 99 10.350 -0.728 -5.067 1.00 0.60 N ATOM 1594 CA TYR A 99 9.632 0.390 -5.666 1.00 0.64 C ATOM 1595 C TYR A 99 9.767 1.644 -4.811 1.00 0.78 C ATOM 1596 O TYR A 99 9.244 2.703 -5.158 1.00 1.08 O ATOM 1597 CB TYR A 99 8.154 0.035 -5.847 1.00 0.63 C ATOM 1598 CG TYR A 99 7.915 -1.122 -6.794 1.00 0.65 C ATOM 1599 CD1 TYR A 99 8.257 -2.420 -6.434 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.351 -0.916 -8.047 1.00 0.74 C ATOM 1601 CE1 TYR A 99 8.043 -3.479 -7.296 1.00 0.92 C ATOM 1602 CE2 TYR A 99 7.134 -1.969 -8.914 1.00 0.84 C ATOM 1603 CZ TYR A 99 7.474 -3.248 -8.533 1.00 0.93 C ATOM 1604 OH TYR A 99 7.265 -4.299 -9.395 1.00 1.13 O ATOM 0 H TYR A 99 9.977 -1.037 -4.169 1.00 0.60 H new ATOM 0 HA TYR A 99 10.072 0.591 -6.643 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.727 -0.210 -4.874 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.622 0.911 -6.217 1.00 0.63 H new ATOM 0 HD1 TYR A 99 8.697 -2.604 -5.465 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.078 0.085 -8.348 1.00 0.74 H new ATOM 0 HE1 TYR A 99 8.319 -4.481 -7.004 1.00 0.92 H new ATOM 0 HE2 TYR A 99 6.700 -1.790 -9.886 1.00 0.84 H new ATOM 0 HH TYR A 99 6.856 -3.968 -10.222 1.00 1.13 H new ATOM 1614 N VAL A 100 10.473 1.516 -3.692 1.00 0.68 N ATOM 1615 CA VAL A 100 10.674 2.638 -2.782 1.00 0.84 C ATOM 1616 C VAL A 100 12.027 3.303 -3.020 1.00 1.12 C ATOM 1617 O VAL A 100 12.701 3.020 -4.011 1.00 1.37 O ATOM 1618 CB VAL A 100 10.575 2.201 -1.304 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.286 2.715 -0.681 1.00 0.99 C ATOM 1620 CG2 VAL A 100 10.668 0.686 -1.174 1.00 0.84 C ATOM 0 H VAL A 100 10.915 0.647 -3.394 1.00 0.68 H new ATOM 0 HA VAL A 100 9.879 3.354 -2.988 1.00 0.84 H new ATOM 0 HB VAL A 100 11.417 2.636 -0.765 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.233 2.397 0.360 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.267 3.804 -0.730 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.432 2.313 -1.227 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.596 0.406 -0.123 1.00 0.84 H new ATOM 0 HG22 VAL A 100 9.853 0.222 -1.730 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.622 0.344 -1.576 1.00 0.84 H new ATOM 1630 N SER A 101 12.414 4.193 -2.110 1.00 1.24 N ATOM 1631 CA SER A 101 13.684 4.905 -2.217 1.00 1.56 C ATOM 1632 C SER A 101 14.858 3.937 -2.348 1.00 1.20 C ATOM 1633 O SER A 101 14.698 2.725 -2.201 1.00 1.50 O ATOM 1634 CB SER A 101 13.888 5.806 -0.999 1.00 2.21 C ATOM 1635 OG SER A 101 14.626 6.967 -1.339 1.00 2.53 O ATOM 0 H SER A 101 11.864 4.439 -1.287 1.00 1.24 H new ATOM 0 HA SER A 101 13.647 5.517 -3.118 1.00 1.56 H new ATOM 0 HB2 SER A 101 12.920 6.094 -0.590 1.00 2.21 H new ATOM 0 HB3 SER A 101 14.412 5.254 -0.219 1.00 2.21 H new ATOM 0 HG SER A 101 14.415 7.685 -0.707 1.00 2.53 H new ATOM 1641 N GLU A 102 16.035 4.482 -2.630 1.00 1.32 N ATOM 1642 CA GLU A 102 17.241 3.672 -2.776 1.00 1.81 C ATOM 1643 C GLU A 102 18.030 3.635 -1.470 1.00 1.95 C ATOM 1644 O GLU A 102 19.032 2.929 -1.358 1.00 2.25 O ATOM 1645 CB GLU A 102 18.119 4.224 -3.901 1.00 2.43 C ATOM 1646 CG GLU A 102 18.762 3.143 -4.756 1.00 3.30 C ATOM 1647 CD GLU A 102 19.409 3.699 -6.010 1.00 3.82 C ATOM 1648 OE1 GLU A 102 19.771 4.894 -6.013 1.00 4.26 O ATOM 1649 OE2 GLU A 102 19.554 2.938 -6.989 1.00 4.07 O ATOM 0 H GLU A 102 16.182 5.483 -2.763 1.00 1.32 H new ATOM 0 HA GLU A 102 16.939 2.655 -3.027 1.00 1.81 H new ATOM 0 HB2 GLU A 102 17.515 4.869 -4.539 1.00 2.43 H new ATOM 0 HB3 GLU A 102 18.902 4.847 -3.468 1.00 2.43 H new ATOM 0 HG2 GLU A 102 19.513 2.618 -4.166 1.00 3.30 H new ATOM 0 HG3 GLU A 102 18.006 2.409 -5.036 1.00 3.30 H new ATOM 1656 N ASP A 103 17.571 4.403 -0.486 1.00 1.90 N ATOM 1657 CA ASP A 103 18.235 4.466 0.812 1.00 2.17 C ATOM 1658 C ASP A 103 18.124 3.140 1.559 1.00 1.97 C ATOM 1659 O ASP A 103 18.994 2.798 2.361 1.00 2.18 O ATOM 1660 CB ASP A 103 17.636 5.591 1.659 1.00 2.39 C ATOM 1661 CG ASP A 103 18.315 5.724 3.007 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.337 6.439 3.089 1.00 3.12 O ATOM 1663 OD2 ASP A 103 17.826 5.113 3.981 1.00 3.15 O ATOM 0 H ASP A 103 16.741 4.991 -0.563 1.00 1.90 H new ATOM 0 HA ASP A 103 19.291 4.669 0.636 1.00 2.17 H new ATOM 0 HB2 ASP A 103 17.721 6.534 1.118 1.00 2.39 H new ATOM 0 HB3 ASP A 103 16.573 5.403 1.808 1.00 2.39 H new ATOM 1668 N LEU A 104 17.053 2.396 1.295 1.00 1.66 N ATOM 1669 CA LEU A 104 16.840 1.112 1.955 1.00 1.57 C ATOM 1670 C LEU A 104 17.598 -0.004 1.242 1.00 1.70 C ATOM 1671 O LEU A 104 17.761 -1.098 1.782 1.00 1.91 O ATOM 1672 CB LEU A 104 15.345 0.782 2.020 1.00 1.43 C ATOM 1673 CG LEU A 104 14.729 0.260 0.719 1.00 1.27 C ATOM 1674 CD1 LEU A 104 14.063 -1.088 0.949 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.727 1.260 0.165 1.00 1.73 C ATOM 0 H LEU A 104 16.323 2.658 0.633 1.00 1.66 H new ATOM 0 HA LEU A 104 17.226 1.189 2.971 1.00 1.57 H new ATOM 0 HB2 LEU A 104 15.189 0.037 2.800 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.805 1.679 2.323 1.00 1.43 H new ATOM 0 HG LEU A 104 15.527 0.131 -0.012 1.00 1.27 H new ATOM 0 HD11 LEU A 104 13.630 -1.444 0.014 1.00 1.68 H new ATOM 0 HD12 LEU A 104 14.804 -1.805 1.302 1.00 1.68 H new ATOM 0 HD13 LEU A 104 13.276 -0.982 1.696 1.00 1.68 H new ATOM 0 HD21 LEU A 104 13.299 0.872 -0.760 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.932 1.420 0.893 1.00 1.73 H new ATOM 0 HD23 LEU A 104 14.230 2.206 -0.037 1.00 1.73 H new ATOM 1687 N HIS A 105 18.059 0.279 0.028 1.00 1.83 N ATOM 1688 CA HIS A 105 18.805 -0.702 -0.753 1.00 2.15 C ATOM 1689 C HIS A 105 20.185 -0.933 -0.145 1.00 2.44 C ATOM 1690 O HIS A 105 21.168 -0.321 -0.565 1.00 2.79 O ATOM 1691 CB HIS A 105 18.944 -0.235 -2.203 1.00 2.42 C ATOM 1692 CG HIS A 105 17.951 -0.859 -3.132 1.00 2.36 C ATOM 1693 ND1 HIS A 105 17.876 -2.219 -3.352 1.00 2.91 N ATOM 1694 CD2 HIS A 105 16.987 -0.303 -3.904 1.00 2.29 C ATOM 1695 CE1 HIS A 105 16.912 -2.471 -4.217 1.00 3.15 C ATOM 1696 NE2 HIS A 105 16.356 -1.325 -4.568 1.00 2.81 N ATOM 0 H HIS A 105 17.930 1.178 -0.436 1.00 1.83 H new ATOM 0 HA HIS A 105 18.254 -1.642 -0.737 1.00 2.15 H new ATOM 0 HB2 HIS A 105 18.831 0.849 -2.239 1.00 2.42 H new ATOM 0 HB3 HIS A 105 19.950 -0.463 -2.554 1.00 2.42 H new ATOM 0 HD2 HIS A 105 16.757 0.749 -3.983 1.00 2.29 H new ATOM 0 HE1 HIS A 105 16.626 -3.448 -4.577 1.00 3.15 H new ATOM 0 HE2 HIS A 105 15.584 -1.217 -5.225 1.00 2.81 H new ATOM 1705 N LYS A 106 20.255 -1.822 0.843 1.00 2.38 N ATOM 1706 CA LYS A 106 21.519 -2.123 1.506 1.00 2.72 C ATOM 1707 C LYS A 106 21.410 -3.373 2.376 1.00 2.73 C ATOM 1708 O LYS A 106 22.307 -4.216 2.383 1.00 3.11 O ATOM 1709 CB LYS A 106 21.961 -0.934 2.362 1.00 2.83 C ATOM 1710 CG LYS A 106 20.898 -0.453 3.339 1.00 2.56 C ATOM 1711 CD LYS A 106 21.208 -0.892 4.760 1.00 2.86 C ATOM 1712 CE LYS A 106 21.472 0.299 5.667 1.00 3.00 C ATOM 1713 NZ LYS A 106 21.112 0.012 7.083 1.00 3.43 N ATOM 0 H LYS A 106 19.455 -2.344 1.200 1.00 2.38 H new ATOM 0 HA LYS A 106 22.263 -2.312 0.732 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.855 -1.212 2.920 1.00 2.83 H new ATOM 0 HB3 LYS A 106 22.239 -0.109 1.706 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.831 0.634 3.299 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.925 -0.843 3.041 1.00 2.56 H new ATOM 0 HD2 LYS A 106 20.373 -1.472 5.153 1.00 2.86 H new ATOM 0 HD3 LYS A 106 22.078 -1.548 4.757 1.00 2.86 H new ATOM 0 HE2 LYS A 106 22.526 0.572 5.609 1.00 3.00 H new ATOM 0 HE3 LYS A 106 20.900 1.157 5.314 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 21.307 0.850 7.668 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 20.101 -0.224 7.143 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 21.676 -0.791 7.429 1.00 3.43 H new ATOM 1727 N TYR A 107 20.308 -3.485 3.110 1.00 2.40 N ATOM 1728 CA TYR A 107 20.088 -4.625 3.993 1.00 2.46 C ATOM 1729 C TYR A 107 19.323 -5.727 3.272 1.00 2.35 C ATOM 1730 O TYR A 107 19.163 -6.830 3.795 1.00 2.42 O ATOM 1731 CB TYR A 107 19.321 -4.189 5.244 1.00 2.46 C ATOM 1732 CG TYR A 107 17.886 -3.802 4.967 1.00 2.20 C ATOM 1733 CD1 TYR A 107 17.562 -2.513 4.565 1.00 2.03 C ATOM 1734 CD2 TYR A 107 16.858 -4.723 5.114 1.00 2.20 C ATOM 1735 CE1 TYR A 107 16.253 -2.152 4.317 1.00 1.88 C ATOM 1736 CE2 TYR A 107 15.546 -4.371 4.868 1.00 2.07 C ATOM 1737 CZ TYR A 107 15.249 -3.096 4.447 1.00 1.92 C ATOM 1738 OH TYR A 107 13.941 -2.729 4.223 1.00 1.91 O ATOM 0 H TYR A 107 19.553 -2.800 3.111 1.00 2.40 H new ATOM 0 HA TYR A 107 21.061 -5.016 4.291 1.00 2.46 H new ATOM 0 HB2 TYR A 107 19.336 -5.001 5.971 1.00 2.46 H new ATOM 0 HB3 TYR A 107 19.836 -3.343 5.700 1.00 2.46 H new ATOM 0 HD1 TYR A 107 18.347 -1.781 4.444 1.00 2.03 H new ATOM 0 HD2 TYR A 107 17.088 -5.731 5.426 1.00 2.20 H new ATOM 0 HE1 TYR A 107 16.014 -1.140 4.024 1.00 1.88 H new ATOM 0 HE2 TYR A 107 14.756 -5.094 5.006 1.00 2.07 H new ATOM 0 HH TYR A 107 13.913 -2.004 3.564 1.00 1.91 H new ATOM 1748 N ILE A 108 18.849 -5.413 2.070 1.00 2.27 N ATOM 1749 CA ILE A 108 18.094 -6.367 1.270 1.00 2.27 C ATOM 1750 C ILE A 108 18.849 -7.694 1.145 1.00 2.49 C ATOM 1751 O ILE A 108 19.953 -7.736 0.602 1.00 2.67 O ATOM 1752 CB ILE A 108 17.798 -5.791 -0.135 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.493 -4.993 -0.114 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.724 -6.895 -1.180 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.656 -3.580 0.401 1.00 1.86 C ATOM 0 H ILE A 108 18.976 -4.502 1.629 1.00 2.27 H new ATOM 0 HA ILE A 108 17.148 -6.553 1.778 1.00 2.27 H new ATOM 0 HB ILE A 108 18.618 -5.126 -0.407 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.082 -4.958 -1.123 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.767 -5.516 0.508 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.515 -6.458 -2.157 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.675 -7.426 -1.216 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.929 -7.593 -0.917 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.691 -3.074 0.388 1.00 1.86 H new ATOM 0 HD12 ILE A 108 17.038 -3.607 1.422 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.357 -3.040 -0.235 1.00 1.86 H new ATOM 1767 N PRO A 109 18.267 -8.798 1.658 1.00 2.54 N ATOM 1768 CA PRO A 109 18.897 -10.116 1.596 1.00 2.77 C ATOM 1769 C PRO A 109 18.667 -10.810 0.259 1.00 3.02 C ATOM 1770 O PRO A 109 17.934 -10.309 -0.594 1.00 3.11 O ATOM 1771 CB PRO A 109 18.200 -10.875 2.722 1.00 2.80 C ATOM 1772 CG PRO A 109 16.828 -10.292 2.774 1.00 2.70 C ATOM 1773 CD PRO A 109 16.955 -8.851 2.337 1.00 2.48 C ATOM 0 HA PRO A 109 19.981 -10.062 1.698 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.169 -11.945 2.519 1.00 2.80 H new ATOM 0 HB3 PRO A 109 18.722 -10.746 3.670 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.150 -10.838 2.118 1.00 2.70 H new ATOM 0 HG3 PRO A 109 16.417 -10.357 3.782 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.146 -8.565 1.665 1.00 2.48 H new ATOM 0 HD3 PRO A 109 16.918 -8.171 3.188 1.00 2.48 H new ATOM 1781 N ARG A 110 19.302 -11.965 0.080 1.00 3.26 N ATOM 1782 CA ARG A 110 19.167 -12.728 -1.156 1.00 3.61 C ATOM 1783 C ARG A 110 17.884 -13.554 -1.147 1.00 3.87 C ATOM 1784 O ARG A 110 17.544 -14.130 -2.202 1.00 4.38 O ATOM 1785 CB ARG A 110 20.375 -13.647 -1.350 1.00 4.21 C ATOM 1786 CG ARG A 110 21.708 -12.963 -1.093 1.00 4.62 C ATOM 1787 CD ARG A 110 22.562 -13.756 -0.117 1.00 5.34 C ATOM 1788 NE ARG A 110 23.771 -13.032 0.265 1.00 5.83 N ATOM 1789 CZ ARG A 110 24.134 -12.813 1.526 1.00 6.55 C ATOM 1790 NH1 ARG A 110 23.383 -13.255 2.526 1.00 6.84 N ATOM 1791 NH2 ARG A 110 25.251 -12.147 1.787 1.00 7.27 N ATOM 1792 OXT ARG A 110 17.232 -13.620 -0.084 1.00 4.05 O ATOM 0 H ARG A 110 19.914 -12.392 0.775 1.00 3.26 H new ATOM 0 HA ARG A 110 19.120 -12.022 -1.985 1.00 3.61 H new ATOM 0 HB2 ARG A 110 20.281 -14.503 -0.682 1.00 4.21 H new ATOM 0 HB3 ARG A 110 20.366 -14.035 -2.369 1.00 4.21 H new ATOM 0 HG2 ARG A 110 22.245 -12.844 -2.034 1.00 4.62 H new ATOM 0 HG3 ARG A 110 21.534 -11.963 -0.697 1.00 4.62 H new ATOM 0 HD2 ARG A 110 21.978 -13.982 0.775 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.838 -14.709 -0.568 1.00 5.34 H new ATOM 0 HE ARG A 110 24.372 -12.674 -0.477 1.00 5.83 H new ATOM 0 HH11 ARG A 110 22.522 -13.766 2.330 1.00 6.84 H new ATOM 0 HH12 ARG A 110 23.666 -13.084 3.491 1.00 6.84 H new ATOM 0 HH21 ARG A 110 25.831 -11.803 1.021 1.00 7.27 H new ATOM 0 HH22 ARG A 110 25.530 -11.978 2.753 1.00 7.27 H new TER 1806 ARG A 110