USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 843 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 62 THR OG1 : rot 180:sc= 0.00805 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 152:sc= -1.4! (180deg=-2.03!) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0199 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00295 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.56) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 28 CYS SG : rot 139:sc= -1.22 USER MOD Single : A 32 SER OG : rot 63:sc= 1.26 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.87) USER MOD Single : A 56 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.4) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc=-0.00851 (180deg=-0.253) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0.0895 (180deg=0.0831) USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= -1.36 (180deg=-3.65!) USER MOD Single : A 74 THR OG1 : rot -61:sc= 0.124 USER MOD Single : A 75 ASN :FLIP amide:sc= -1.03 F(o=-2.6!,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0.00392 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 84:sc= 0.0907 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.24) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 103 SER OG : rot 42:sc= 0.381 USER MOD Single : A 105 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.057) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.354 53.512 0.593 1.00 0.00 N ATOM 2 CA GLY A 1 -16.501 53.050 -0.487 1.00 0.00 C ATOM 3 C GLY A 1 -16.107 51.595 -0.332 1.00 0.00 C ATOM 4 O GLY A 1 -15.992 51.091 0.785 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.336 53.577 0.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.303 52.842 1.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.035 54.449 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.018 53.184 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.602 53.665 -0.524 1.00 0.00 H new ATOM 8 N SER A 2 -15.902 50.916 -1.456 1.00 0.00 N ATOM 9 CA SER A 2 -15.525 49.508 -1.441 1.00 0.00 C ATOM 10 C SER A 2 -14.860 49.109 -2.755 1.00 0.00 C ATOM 11 O SER A 2 -15.017 49.784 -3.772 1.00 0.00 O ATOM 12 CB SER A 2 -16.754 48.631 -1.191 1.00 0.00 C ATOM 13 OG SER A 2 -16.384 47.276 -1.002 1.00 0.00 O ATOM 0 H SER A 2 -15.991 51.319 -2.389 1.00 0.00 H new ATOM 0 HA SER A 2 -14.810 49.358 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.289 48.991 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.439 48.710 -2.035 1.00 0.00 H new ATOM 0 HG SER A 2 -17.187 46.737 -0.842 1.00 0.00 H new ATOM 19 N SER A 3 -14.118 48.007 -2.725 1.00 0.00 N ATOM 20 CA SER A 3 -13.425 47.519 -3.912 1.00 0.00 C ATOM 21 C SER A 3 -13.547 46.003 -4.027 1.00 0.00 C ATOM 22 O SER A 3 -13.839 45.316 -3.049 1.00 0.00 O ATOM 23 CB SER A 3 -11.950 47.922 -3.870 1.00 0.00 C ATOM 24 OG SER A 3 -11.324 47.696 -5.121 1.00 0.00 O ATOM 0 H SER A 3 -13.981 47.435 -1.892 1.00 0.00 H new ATOM 0 HA SER A 3 -13.892 47.971 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.865 48.975 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.436 47.353 -3.095 1.00 0.00 H new ATOM 0 HG SER A 3 -10.383 47.963 -5.069 1.00 0.00 H new ATOM 30 N GLY A 4 -13.320 45.486 -5.231 1.00 0.00 N ATOM 31 CA GLY A 4 -13.409 44.055 -5.453 1.00 0.00 C ATOM 32 C GLY A 4 -12.054 43.421 -5.695 1.00 0.00 C ATOM 33 O GLY A 4 -11.023 43.980 -5.320 1.00 0.00 O ATOM 0 H GLY A 4 -13.076 46.033 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.878 43.585 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.055 43.863 -6.310 1.00 0.00 H new ATOM 37 N SER A 5 -12.054 42.249 -6.323 1.00 0.00 N ATOM 38 CA SER A 5 -10.815 41.535 -6.609 1.00 0.00 C ATOM 39 C SER A 5 -10.928 40.753 -7.914 1.00 0.00 C ATOM 40 O SER A 5 -11.981 40.199 -8.229 1.00 0.00 O ATOM 41 CB SER A 5 -10.472 40.585 -5.460 1.00 0.00 C ATOM 42 OG SER A 5 -9.073 40.370 -5.378 1.00 0.00 O ATOM 0 H SER A 5 -12.898 41.774 -6.643 1.00 0.00 H new ATOM 0 HA SER A 5 -10.017 42.270 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.835 41.000 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.982 39.633 -5.606 1.00 0.00 H new ATOM 0 HG SER A 5 -8.879 39.761 -4.635 1.00 0.00 H new ATOM 48 N SER A 6 -9.835 40.713 -8.670 1.00 0.00 N ATOM 49 CA SER A 6 -9.812 40.002 -9.943 1.00 0.00 C ATOM 50 C SER A 6 -9.386 38.550 -9.747 1.00 0.00 C ATOM 51 O SER A 6 -8.947 38.161 -8.665 1.00 0.00 O ATOM 52 CB SER A 6 -8.862 40.697 -10.921 1.00 0.00 C ATOM 53 OG SER A 6 -7.513 40.554 -10.510 1.00 0.00 O ATOM 0 H SER A 6 -8.954 41.164 -8.423 1.00 0.00 H new ATOM 0 HA SER A 6 -10.821 40.013 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.988 40.275 -11.918 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.115 41.755 -10.989 1.00 0.00 H new ATOM 0 HG SER A 6 -6.926 41.005 -11.152 1.00 0.00 H new ATOM 59 N GLY A 7 -9.519 37.753 -10.803 1.00 0.00 N ATOM 60 CA GLY A 7 -9.144 36.353 -10.727 1.00 0.00 C ATOM 61 C GLY A 7 -8.098 35.977 -11.758 1.00 0.00 C ATOM 62 O GLY A 7 -7.632 36.825 -12.517 1.00 0.00 O ATOM 0 H GLY A 7 -9.880 38.052 -11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.761 36.136 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.030 35.734 -10.870 1.00 0.00 H new ATOM 66 N MET A 8 -7.727 34.701 -11.782 1.00 0.00 N ATOM 67 CA MET A 8 -6.728 34.215 -12.727 1.00 0.00 C ATOM 68 C MET A 8 -7.090 32.821 -13.231 1.00 0.00 C ATOM 69 O MET A 8 -7.873 32.108 -12.604 1.00 0.00 O ATOM 70 CB MET A 8 -5.345 34.189 -12.073 1.00 0.00 C ATOM 71 CG MET A 8 -4.854 35.560 -11.636 1.00 0.00 C ATOM 72 SD MET A 8 -3.384 35.473 -10.596 1.00 0.00 S ATOM 73 CE MET A 8 -2.151 36.168 -11.693 1.00 0.00 C ATOM 0 H MET A 8 -8.102 33.986 -11.159 1.00 0.00 H new ATOM 0 HA MET A 8 -6.707 34.897 -13.577 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.374 33.529 -11.206 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.628 33.762 -12.774 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.635 36.161 -12.518 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.649 36.070 -11.092 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.184 36.182 -11.191 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.083 35.560 -12.595 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.435 37.186 -11.961 1.00 0.00 H new ATOM 83 N ASP A 9 -6.516 32.441 -14.368 1.00 0.00 N ATOM 84 CA ASP A 9 -6.778 31.132 -14.956 1.00 0.00 C ATOM 85 C ASP A 9 -5.476 30.379 -15.208 1.00 0.00 C ATOM 86 O ASP A 9 -5.189 29.976 -16.335 1.00 0.00 O ATOM 87 CB ASP A 9 -7.556 31.284 -16.264 1.00 0.00 C ATOM 88 CG ASP A 9 -6.983 32.367 -17.156 1.00 0.00 C ATOM 89 OD1 ASP A 9 -5.825 32.218 -17.602 1.00 0.00 O ATOM 90 OD2 ASP A 9 -7.691 33.363 -17.410 1.00 0.00 O ATOM 0 H ASP A 9 -5.867 33.020 -14.900 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.378 30.557 -14.250 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.549 30.335 -16.800 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.597 31.516 -16.039 1.00 0.00 H new ATOM 95 N ALA A 10 -4.691 30.194 -14.152 1.00 0.00 N ATOM 96 CA ALA A 10 -3.420 29.489 -14.259 1.00 0.00 C ATOM 97 C ALA A 10 -3.600 27.993 -14.027 1.00 0.00 C ATOM 98 O ALA A 10 -2.799 27.362 -13.337 1.00 0.00 O ATOM 99 CB ALA A 10 -2.414 30.061 -13.271 1.00 0.00 C ATOM 0 H ALA A 10 -4.913 30.523 -13.212 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.039 29.630 -15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.469 29.525 -13.362 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.254 31.118 -13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.797 29.951 -12.257 1.00 0.00 H new ATOM 105 N ILE A 11 -4.657 27.433 -14.605 1.00 0.00 N ATOM 106 CA ILE A 11 -4.942 26.011 -14.461 1.00 0.00 C ATOM 107 C ILE A 11 -4.929 25.307 -15.814 1.00 0.00 C ATOM 108 O ILE A 11 -5.627 25.713 -16.744 1.00 0.00 O ATOM 109 CB ILE A 11 -6.306 25.775 -13.786 1.00 0.00 C ATOM 110 CG1 ILE A 11 -6.439 26.650 -12.538 1.00 0.00 C ATOM 111 CG2 ILE A 11 -6.473 24.306 -13.429 1.00 0.00 C ATOM 112 CD1 ILE A 11 -5.842 26.028 -11.296 1.00 0.00 C ATOM 0 H ILE A 11 -5.330 27.942 -15.177 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.157 25.595 -13.830 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.094 26.050 -14.486 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.954 27.608 -12.723 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.494 26.856 -12.360 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.442 24.155 -12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.416 23.703 -14.335 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.681 24.006 -12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.973 26.704 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.343 25.083 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.779 25.847 -11.455 1.00 0.00 H new ATOM 124 N LEU A 12 -4.132 24.249 -15.917 1.00 0.00 N ATOM 125 CA LEU A 12 -4.029 23.487 -17.156 1.00 0.00 C ATOM 126 C LEU A 12 -4.146 21.990 -16.886 1.00 0.00 C ATOM 127 O LEU A 12 -3.989 21.540 -15.752 1.00 0.00 O ATOM 128 CB LEU A 12 -2.702 23.788 -17.855 1.00 0.00 C ATOM 129 CG LEU A 12 -1.438 23.530 -17.034 1.00 0.00 C ATOM 130 CD1 LEU A 12 -0.978 22.090 -17.201 1.00 0.00 C ATOM 131 CD2 LEU A 12 -0.333 24.495 -17.439 1.00 0.00 C ATOM 0 H LEU A 12 -3.548 23.900 -15.157 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.851 23.786 -17.806 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.649 23.189 -18.764 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.705 24.834 -18.162 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.671 23.696 -15.982 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.077 21.925 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.764 21.415 -16.861 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.763 21.896 -18.252 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.559 24.297 -16.845 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.102 24.361 -18.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.663 25.519 -17.267 1.00 0.00 H new ATOM 143 N ASN A 13 -4.421 21.224 -17.937 1.00 0.00 N ATOM 144 CA ASN A 13 -4.558 19.777 -17.813 1.00 0.00 C ATOM 145 C ASN A 13 -3.383 19.062 -18.474 1.00 0.00 C ATOM 146 O ASN A 13 -3.456 18.674 -19.640 1.00 0.00 O ATOM 147 CB ASN A 13 -5.872 19.312 -18.443 1.00 0.00 C ATOM 148 CG ASN A 13 -6.200 20.064 -19.718 1.00 0.00 C ATOM 149 OD1 ASN A 13 -6.705 21.186 -19.678 1.00 0.00 O ATOM 150 ND2 ASN A 13 -5.914 19.448 -20.859 1.00 0.00 N ATOM 0 H ASN A 13 -4.553 21.581 -18.883 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.564 19.527 -16.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.811 18.245 -18.659 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.683 19.446 -17.727 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.113 19.905 -21.749 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.496 18.518 -20.845 1.00 0.00 H new ATOM 157 N TYR A 14 -2.303 18.889 -17.720 1.00 0.00 N ATOM 158 CA TYR A 14 -1.112 18.222 -18.233 1.00 0.00 C ATOM 159 C TYR A 14 -0.826 16.943 -17.452 1.00 0.00 C ATOM 160 O TYR A 14 -0.501 16.987 -16.265 1.00 0.00 O ATOM 161 CB TYR A 14 0.095 19.159 -18.159 1.00 0.00 C ATOM 162 CG TYR A 14 1.421 18.435 -18.101 1.00 0.00 C ATOM 163 CD1 TYR A 14 1.835 17.620 -19.147 1.00 0.00 C ATOM 164 CD2 TYR A 14 2.258 18.565 -17.001 1.00 0.00 C ATOM 165 CE1 TYR A 14 3.046 16.955 -19.099 1.00 0.00 C ATOM 166 CE2 TYR A 14 3.471 17.906 -16.944 1.00 0.00 C ATOM 167 CZ TYR A 14 3.860 17.102 -17.995 1.00 0.00 C ATOM 168 OH TYR A 14 5.067 16.443 -17.942 1.00 0.00 O ATOM 0 H TYR A 14 -2.228 19.201 -16.752 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.294 17.958 -19.275 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.087 19.817 -19.028 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.002 19.794 -17.278 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.200 17.504 -20.013 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.956 19.192 -16.175 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.353 16.325 -19.920 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.111 18.020 -16.081 1.00 0.00 H new ATOM 0 HH TYR A 14 5.518 16.654 -17.098 1.00 0.00 H new ATOM 178 N ARG A 15 -0.948 15.805 -18.127 1.00 0.00 N ATOM 179 CA ARG A 15 -0.703 14.513 -17.498 1.00 0.00 C ATOM 180 C ARG A 15 -0.707 13.394 -18.535 1.00 0.00 C ATOM 181 O ARG A 15 -1.386 13.484 -19.558 1.00 0.00 O ATOM 182 CB ARG A 15 -1.760 14.235 -16.427 1.00 0.00 C ATOM 183 CG ARG A 15 -3.108 13.820 -16.995 1.00 0.00 C ATOM 184 CD ARG A 15 -3.814 12.827 -16.085 1.00 0.00 C ATOM 185 NE ARG A 15 -4.681 13.493 -15.117 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.896 13.944 -15.408 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.385 13.800 -16.632 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.626 14.540 -14.473 1.00 0.00 N ATOM 0 H ARG A 15 -1.215 15.751 -19.110 1.00 0.00 H new ATOM 0 HA ARG A 15 0.280 14.546 -17.029 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.396 13.449 -15.765 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.892 15.129 -15.818 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.735 14.702 -17.129 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.968 13.376 -17.981 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.406 12.139 -16.689 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.072 12.229 -15.556 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.335 13.619 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.828 13.342 -17.353 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.318 14.147 -16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.254 14.652 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.559 14.886 -14.698 1.00 0.00 H new ATOM 202 N SER A 16 0.056 12.340 -18.263 1.00 0.00 N ATOM 203 CA SER A 16 0.144 11.205 -19.174 1.00 0.00 C ATOM 204 C SER A 16 -0.088 9.893 -18.431 1.00 0.00 C ATOM 205 O SER A 16 -1.135 9.261 -18.578 1.00 0.00 O ATOM 206 CB SER A 16 1.510 11.180 -19.862 1.00 0.00 C ATOM 207 OG SER A 16 1.549 12.084 -20.953 1.00 0.00 O ATOM 0 H SER A 16 0.622 12.249 -17.419 1.00 0.00 H new ATOM 0 HA SER A 16 -0.633 11.317 -19.930 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.287 11.439 -19.143 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.725 10.171 -20.214 1.00 0.00 H new ATOM 0 HG SER A 16 2.433 12.050 -21.374 1.00 0.00 H new ATOM 213 N GLU A 17 0.896 9.489 -17.634 1.00 0.00 N ATOM 214 CA GLU A 17 0.800 8.251 -16.869 1.00 0.00 C ATOM 215 C GLU A 17 0.700 8.542 -15.375 1.00 0.00 C ATOM 216 O GLU A 17 1.688 8.450 -14.646 1.00 0.00 O ATOM 217 CB GLU A 17 2.011 7.359 -17.146 1.00 0.00 C ATOM 218 CG GLU A 17 1.715 5.874 -17.019 1.00 0.00 C ATOM 219 CD GLU A 17 1.882 5.365 -15.600 1.00 0.00 C ATOM 220 OE1 GLU A 17 3.016 4.988 -15.236 1.00 0.00 O ATOM 221 OE2 GLU A 17 0.881 5.344 -14.855 1.00 0.00 O ATOM 0 H GLU A 17 1.768 10.001 -17.501 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.105 7.730 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.379 7.563 -18.151 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.811 7.622 -16.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.695 5.681 -17.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.378 5.317 -17.681 1.00 0.00 H new ATOM 228 N ASP A 18 -0.500 8.895 -14.925 1.00 0.00 N ATOM 229 CA ASP A 18 -0.730 9.199 -13.518 1.00 0.00 C ATOM 230 C ASP A 18 -2.084 8.666 -13.061 1.00 0.00 C ATOM 231 O ASP A 18 -3.129 9.231 -13.388 1.00 0.00 O ATOM 232 CB ASP A 18 -0.656 10.709 -13.282 1.00 0.00 C ATOM 233 CG ASP A 18 0.720 11.274 -13.576 1.00 0.00 C ATOM 234 OD1 ASP A 18 1.690 10.852 -12.912 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.826 12.137 -14.472 1.00 0.00 O ATOM 0 H ASP A 18 -1.328 8.977 -15.515 1.00 0.00 H new ATOM 0 HA ASP A 18 0.049 8.709 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.393 11.209 -13.911 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.921 10.926 -12.247 1.00 0.00 H new ATOM 240 N THR A 19 -2.060 7.574 -12.304 1.00 0.00 N ATOM 241 CA THR A 19 -3.285 6.962 -11.804 1.00 0.00 C ATOM 242 C THR A 19 -3.017 6.139 -10.550 1.00 0.00 C ATOM 243 O THR A 19 -2.151 5.265 -10.544 1.00 0.00 O ATOM 244 CB THR A 19 -3.936 6.059 -12.868 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.321 6.839 -14.005 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.154 5.346 -12.300 1.00 0.00 C ATOM 0 H THR A 19 -1.205 7.095 -12.023 1.00 0.00 H new ATOM 0 HA THR A 19 -3.968 7.776 -11.561 1.00 0.00 H new ATOM 0 HB THR A 19 -3.205 5.310 -13.173 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.733 6.257 -14.677 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.597 4.714 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.853 4.729 -11.453 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.886 6.083 -11.970 1.00 0.00 H new ATOM 254 N GLU A 20 -3.765 6.425 -9.489 1.00 0.00 N ATOM 255 CA GLU A 20 -3.606 5.710 -8.228 1.00 0.00 C ATOM 256 C GLU A 20 -4.873 4.934 -7.879 1.00 0.00 C ATOM 257 O GLU A 20 -5.800 5.476 -7.277 1.00 0.00 O ATOM 258 CB GLU A 20 -3.268 6.687 -7.100 1.00 0.00 C ATOM 259 CG GLU A 20 -2.259 7.751 -7.500 1.00 0.00 C ATOM 260 CD GLU A 20 -2.282 8.953 -6.575 1.00 0.00 C ATOM 261 OE1 GLU A 20 -1.991 8.783 -5.373 1.00 0.00 O ATOM 262 OE2 GLU A 20 -2.590 10.064 -7.056 1.00 0.00 O ATOM 0 H GLU A 20 -4.486 7.146 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.786 5.002 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.184 7.174 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.876 6.127 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.259 7.317 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.465 8.077 -8.519 1.00 0.00 H new ATOM 269 N ASP A 21 -4.905 3.662 -8.263 1.00 0.00 N ATOM 270 CA ASP A 21 -6.057 2.810 -7.991 1.00 0.00 C ATOM 271 C ASP A 21 -5.704 1.726 -6.978 1.00 0.00 C ATOM 272 O ASP A 21 -4.908 0.830 -7.264 1.00 0.00 O ATOM 273 CB ASP A 21 -6.562 2.172 -9.286 1.00 0.00 C ATOM 274 CG ASP A 21 -7.967 1.619 -9.149 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.790 2.255 -8.457 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.244 0.552 -9.734 1.00 0.00 O ATOM 0 H ASP A 21 -4.147 3.199 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.847 3.431 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.543 2.914 -10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.886 1.369 -9.580 1.00 0.00 H new ATOM 281 N TYR A 22 -6.299 1.813 -5.794 1.00 0.00 N ATOM 282 CA TYR A 22 -6.045 0.841 -4.737 1.00 0.00 C ATOM 283 C TYR A 22 -6.097 -0.583 -5.282 1.00 0.00 C ATOM 284 O TYR A 22 -5.310 -1.441 -4.885 1.00 0.00 O ATOM 285 CB TYR A 22 -7.064 1.006 -3.609 1.00 0.00 C ATOM 286 CG TYR A 22 -6.711 2.101 -2.628 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.652 3.429 -3.032 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.437 1.808 -1.298 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.330 4.433 -2.140 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.115 2.806 -0.398 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.062 4.117 -0.824 1.00 0.00 C ATOM 292 OH TYR A 22 -5.741 5.114 0.068 1.00 0.00 O ATOM 0 H TYR A 22 -6.961 2.547 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.045 1.023 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.041 1.219 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.153 0.062 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.862 3.680 -4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.476 0.782 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.288 5.460 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.906 2.561 0.633 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.583 4.723 0.953 1.00 0.00 H new ATOM 302 N TYR A 23 -7.031 -0.825 -6.195 1.00 0.00 N ATOM 303 CA TYR A 23 -7.189 -2.145 -6.795 1.00 0.00 C ATOM 304 C TYR A 23 -5.982 -2.499 -7.657 1.00 0.00 C ATOM 305 O TYR A 23 -5.547 -3.651 -7.696 1.00 0.00 O ATOM 306 CB TYR A 23 -8.465 -2.195 -7.638 1.00 0.00 C ATOM 307 CG TYR A 23 -9.706 -2.522 -6.838 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.942 -3.813 -6.382 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.643 -1.540 -6.541 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.075 -4.116 -5.652 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.778 -1.834 -5.810 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.990 -3.124 -5.368 1.00 0.00 C ATOM 313 OH TYR A 23 -13.120 -3.421 -4.641 1.00 0.00 O ATOM 0 H TYR A 23 -7.690 -0.125 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.264 -2.876 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.603 -1.232 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.342 -2.940 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.228 -4.593 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.481 -0.530 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.243 -5.125 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.495 -1.058 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.659 -2.610 -4.528 1.00 0.00 H new ATOM 323 N THR A 24 -5.443 -1.500 -8.349 1.00 0.00 N ATOM 324 CA THR A 24 -4.287 -1.705 -9.212 1.00 0.00 C ATOM 325 C THR A 24 -3.022 -1.931 -8.392 1.00 0.00 C ATOM 326 O THR A 24 -2.231 -2.828 -8.686 1.00 0.00 O ATOM 327 CB THR A 24 -4.067 -0.504 -10.152 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.219 -0.314 -10.981 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.839 -0.716 -11.023 1.00 0.00 C ATOM 0 H THR A 24 -5.789 -0.541 -8.328 1.00 0.00 H new ATOM 0 HA THR A 24 -4.493 -2.593 -9.810 1.00 0.00 H new ATOM 0 HB THR A 24 -3.909 0.384 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.072 0.452 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.704 0.145 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.959 -0.831 -10.390 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.972 -1.614 -11.627 1.00 0.00 H new ATOM 337 N LEU A 25 -2.836 -1.113 -7.361 1.00 0.00 N ATOM 338 CA LEU A 25 -1.667 -1.225 -6.497 1.00 0.00 C ATOM 339 C LEU A 25 -1.327 -2.687 -6.226 1.00 0.00 C ATOM 340 O LEU A 25 -0.197 -3.124 -6.446 1.00 0.00 O ATOM 341 CB LEU A 25 -1.913 -0.494 -5.176 1.00 0.00 C ATOM 342 CG LEU A 25 -2.418 0.945 -5.289 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.323 1.651 -3.946 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.633 1.704 -6.349 1.00 0.00 C ATOM 0 H LEU A 25 -3.480 -0.365 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.822 -0.764 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.636 -1.067 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.982 -0.488 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.465 0.919 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.687 2.674 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.930 1.120 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.284 1.666 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.006 2.726 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.577 1.720 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.753 1.210 -7.313 1.00 0.00 H new ATOM 356 N LEU A 26 -2.313 -3.439 -5.750 1.00 0.00 N ATOM 357 CA LEU A 26 -2.120 -4.854 -5.451 1.00 0.00 C ATOM 358 C LEU A 26 -2.450 -5.717 -6.665 1.00 0.00 C ATOM 359 O LEU A 26 -2.236 -6.928 -6.655 1.00 0.00 O ATOM 360 CB LEU A 26 -2.992 -5.269 -4.264 1.00 0.00 C ATOM 361 CG LEU A 26 -2.909 -4.375 -3.027 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.910 -4.826 -1.974 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.497 -4.380 -2.459 1.00 0.00 C ATOM 0 H LEU A 26 -3.254 -3.093 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.072 -5.006 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.030 -5.302 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.718 -6.283 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.157 -3.356 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.836 -4.178 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.919 -4.770 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.693 -5.854 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.457 -3.738 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.221 -5.397 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.801 -4.009 -3.211 1.00 0.00 H new ATOM 375 N GLY A 27 -2.972 -5.083 -7.711 1.00 0.00 N ATOM 376 CA GLY A 27 -3.321 -5.808 -8.919 1.00 0.00 C ATOM 377 C GLY A 27 -4.450 -6.794 -8.697 1.00 0.00 C ATOM 378 O GLY A 27 -4.428 -7.904 -9.231 1.00 0.00 O ATOM 0 H GLY A 27 -3.159 -4.081 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.610 -5.098 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.444 -6.341 -9.285 1.00 0.00 H new ATOM 382 N CYS A 28 -5.439 -6.391 -7.907 1.00 0.00 N ATOM 383 CA CYS A 28 -6.582 -7.249 -7.614 1.00 0.00 C ATOM 384 C CYS A 28 -7.880 -6.609 -8.095 1.00 0.00 C ATOM 385 O CYS A 28 -7.933 -5.406 -8.351 1.00 0.00 O ATOM 386 CB CYS A 28 -6.663 -7.529 -6.113 1.00 0.00 C ATOM 387 SG CYS A 28 -7.381 -6.180 -5.147 1.00 0.00 S ATOM 0 H CYS A 28 -5.473 -5.476 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.444 -8.191 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.255 -8.430 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.661 -7.736 -5.738 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.176 -6.669 -4.242 1.00 0.00 H new ATOM 393 N ASP A 29 -8.924 -7.421 -8.218 1.00 0.00 N ATOM 394 CA ASP A 29 -10.222 -6.935 -8.669 1.00 0.00 C ATOM 395 C ASP A 29 -11.329 -7.375 -7.716 1.00 0.00 C ATOM 396 O ASP A 29 -11.110 -8.212 -6.840 1.00 0.00 O ATOM 397 CB ASP A 29 -10.518 -7.441 -10.082 1.00 0.00 C ATOM 398 CG ASP A 29 -10.408 -8.949 -10.191 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.622 -9.543 -9.424 1.00 0.00 O ATOM 400 OD2 ASP A 29 -11.108 -9.535 -11.044 1.00 0.00 O ATOM 0 H ASP A 29 -8.896 -8.419 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.189 -5.846 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.521 -7.131 -10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.825 -6.977 -10.784 1.00 0.00 H new ATOM 405 N GLU A 30 -12.517 -6.804 -7.892 1.00 0.00 N ATOM 406 CA GLU A 30 -13.656 -7.137 -7.045 1.00 0.00 C ATOM 407 C GLU A 30 -13.877 -8.646 -6.998 1.00 0.00 C ATOM 408 O GLU A 30 -14.435 -9.174 -6.035 1.00 0.00 O ATOM 409 CB GLU A 30 -14.920 -6.442 -7.556 1.00 0.00 C ATOM 410 CG GLU A 30 -15.234 -6.743 -9.012 1.00 0.00 C ATOM 411 CD GLU A 30 -16.562 -6.161 -9.455 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.686 -4.919 -9.483 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.478 -6.948 -9.774 1.00 0.00 O ATOM 0 H GLU A 30 -12.715 -6.110 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.440 -6.787 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.766 -6.747 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.807 -5.365 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.439 -6.344 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.247 -7.823 -9.161 1.00 0.00 H new ATOM 420 N LEU A 31 -13.435 -9.335 -8.044 1.00 0.00 N ATOM 421 CA LEU A 31 -13.583 -10.784 -8.124 1.00 0.00 C ATOM 422 C LEU A 31 -12.565 -11.486 -7.231 1.00 0.00 C ATOM 423 O LEU A 31 -12.888 -12.458 -6.548 1.00 0.00 O ATOM 424 CB LEU A 31 -13.421 -11.255 -9.570 1.00 0.00 C ATOM 425 CG LEU A 31 -14.532 -10.847 -10.538 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.990 -10.724 -11.953 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.677 -11.849 -10.488 1.00 0.00 C ATOM 0 H LEU A 31 -12.971 -8.914 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.583 -11.041 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.475 -10.871 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.347 -12.343 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.914 -9.873 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.796 -10.433 -12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.205 -9.968 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.580 -11.683 -12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.459 -11.543 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.309 -12.836 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.084 -11.886 -9.478 1.00 0.00 H new ATOM 439 N SER A 32 -11.334 -10.986 -7.240 1.00 0.00 N ATOM 440 CA SER A 32 -10.267 -11.566 -6.433 1.00 0.00 C ATOM 441 C SER A 32 -10.632 -11.541 -4.952 1.00 0.00 C ATOM 442 O SER A 32 -11.088 -10.524 -4.430 1.00 0.00 O ATOM 443 CB SER A 32 -8.957 -10.807 -6.659 1.00 0.00 C ATOM 444 OG SER A 32 -8.363 -11.173 -7.892 1.00 0.00 O ATOM 0 H SER A 32 -11.051 -10.180 -7.797 1.00 0.00 H new ATOM 0 HA SER A 32 -10.136 -12.603 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.148 -9.734 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.266 -11.016 -5.842 1.00 0.00 H new ATOM 0 HG SER A 32 -8.960 -10.927 -8.629 1.00 0.00 H new ATOM 450 N SER A 33 -10.429 -12.670 -4.280 1.00 0.00 N ATOM 451 CA SER A 33 -10.740 -12.781 -2.860 1.00 0.00 C ATOM 452 C SER A 33 -9.541 -12.375 -2.008 1.00 0.00 C ATOM 453 O SER A 33 -8.400 -12.396 -2.470 1.00 0.00 O ATOM 454 CB SER A 33 -11.162 -14.211 -2.518 1.00 0.00 C ATOM 455 OG SER A 33 -12.460 -14.492 -3.014 1.00 0.00 O ATOM 0 H SER A 33 -10.050 -13.521 -4.696 1.00 0.00 H new ATOM 0 HA SER A 33 -11.566 -12.104 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.447 -14.916 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.144 -14.350 -1.437 1.00 0.00 H new ATOM 0 HG SER A 33 -12.706 -15.412 -2.784 1.00 0.00 H new ATOM 461 N VAL A 34 -9.808 -12.006 -0.759 1.00 0.00 N ATOM 462 CA VAL A 34 -8.753 -11.596 0.160 1.00 0.00 C ATOM 463 C VAL A 34 -7.538 -12.510 0.043 1.00 0.00 C ATOM 464 O VAL A 34 -6.422 -12.047 -0.194 1.00 0.00 O ATOM 465 CB VAL A 34 -9.246 -11.600 1.619 1.00 0.00 C ATOM 466 CG1 VAL A 34 -8.129 -11.178 2.561 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.457 -10.693 1.774 1.00 0.00 C ATOM 0 H VAL A 34 -10.747 -11.983 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.469 -10.581 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.545 -12.615 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.496 -11.187 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.293 -11.872 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.796 -10.173 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.792 -10.708 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.187 -9.675 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.261 -11.046 1.128 1.00 0.00 H new ATOM 477 N GLU A 35 -7.762 -13.809 0.210 1.00 0.00 N ATOM 478 CA GLU A 35 -6.685 -14.788 0.124 1.00 0.00 C ATOM 479 C GLU A 35 -5.764 -14.480 -1.054 1.00 0.00 C ATOM 480 O GLU A 35 -4.541 -14.492 -0.918 1.00 0.00 O ATOM 481 CB GLU A 35 -7.258 -16.199 -0.017 1.00 0.00 C ATOM 482 CG GLU A 35 -7.670 -16.824 1.305 1.00 0.00 C ATOM 483 CD GLU A 35 -7.978 -18.303 1.181 1.00 0.00 C ATOM 484 OE1 GLU A 35 -8.960 -18.648 0.490 1.00 0.00 O ATOM 485 OE2 GLU A 35 -7.238 -19.116 1.774 1.00 0.00 O ATOM 0 H GLU A 35 -8.680 -14.208 0.406 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.102 -14.732 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.123 -16.166 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.515 -16.838 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.872 -16.683 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.548 -16.305 1.690 1.00 0.00 H new ATOM 492 N GLN A 36 -6.362 -14.206 -2.209 1.00 0.00 N ATOM 493 CA GLN A 36 -5.596 -13.897 -3.410 1.00 0.00 C ATOM 494 C GLN A 36 -4.939 -12.525 -3.300 1.00 0.00 C ATOM 495 O GLN A 36 -3.751 -12.370 -3.584 1.00 0.00 O ATOM 496 CB GLN A 36 -6.500 -13.945 -4.643 1.00 0.00 C ATOM 497 CG GLN A 36 -5.829 -13.438 -5.910 1.00 0.00 C ATOM 498 CD GLN A 36 -4.907 -14.468 -6.534 1.00 0.00 C ATOM 499 OE1 GLN A 36 -3.609 -14.321 -6.298 1.00 0.00 O flip ATOM 500 NE2 GLN A 36 -5.357 -15.385 -7.221 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.374 -14.192 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.812 -14.647 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.829 -14.972 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.393 -13.350 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.594 -13.155 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.259 -12.538 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.362 -15.460 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.725 -16.070 -7.635 1.00 0.00 H new ATOM 509 N ILE A 37 -5.720 -11.533 -2.886 1.00 0.00 N ATOM 510 CA ILE A 37 -5.214 -10.174 -2.737 1.00 0.00 C ATOM 511 C ILE A 37 -3.910 -10.157 -1.946 1.00 0.00 C ATOM 512 O ILE A 37 -2.894 -9.639 -2.413 1.00 0.00 O ATOM 513 CB ILE A 37 -6.239 -9.265 -2.035 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.523 -9.173 -2.862 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.650 -7.881 -1.805 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.688 -8.573 -2.106 1.00 0.00 C ATOM 0 H ILE A 37 -6.705 -11.645 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.032 -9.793 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.484 -9.700 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.330 -8.573 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.798 -10.171 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.387 -7.250 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.761 -7.963 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.379 -7.437 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.564 -8.539 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.908 -9.185 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.433 -7.562 -1.787 1.00 0.00 H new ATOM 528 N LEU A 38 -3.945 -10.727 -0.747 1.00 0.00 N ATOM 529 CA LEU A 38 -2.765 -10.779 0.109 1.00 0.00 C ATOM 530 C LEU A 38 -1.529 -11.182 -0.689 1.00 0.00 C ATOM 531 O LEU A 38 -0.645 -10.363 -0.938 1.00 0.00 O ATOM 532 CB LEU A 38 -2.988 -11.765 1.258 1.00 0.00 C ATOM 533 CG LEU A 38 -4.231 -11.528 2.115 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.582 -12.779 2.905 1.00 0.00 C ATOM 535 CD2 LEU A 38 -4.017 -10.346 3.050 1.00 0.00 C ATOM 0 H LEU A 38 -4.777 -11.159 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.600 -9.783 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.045 -12.771 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.113 -11.739 1.908 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.066 -11.296 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.470 -12.591 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.779 -13.601 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.749 -13.044 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.912 -10.192 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.169 -10.549 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.816 -9.450 2.463 1.00 0.00 H new ATOM 547 N ALA A 39 -1.477 -12.448 -1.090 1.00 0.00 N ATOM 548 CA ALA A 39 -0.353 -12.958 -1.865 1.00 0.00 C ATOM 549 C ALA A 39 0.141 -11.919 -2.866 1.00 0.00 C ATOM 550 O ALA A 39 1.331 -11.608 -2.915 1.00 0.00 O ATOM 551 CB ALA A 39 -0.745 -14.240 -2.583 1.00 0.00 C ATOM 0 H ALA A 39 -2.200 -13.139 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 39 0.462 -13.176 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.104 -14.609 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.042 -14.991 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.579 -14.040 -3.256 1.00 0.00 H new ATOM 557 N GLU A 40 -0.781 -11.385 -3.661 1.00 0.00 N ATOM 558 CA GLU A 40 -0.437 -10.382 -4.662 1.00 0.00 C ATOM 559 C GLU A 40 0.320 -9.218 -4.028 1.00 0.00 C ATOM 560 O GLU A 40 1.300 -8.723 -4.586 1.00 0.00 O ATOM 561 CB GLU A 40 -1.700 -9.866 -5.354 1.00 0.00 C ATOM 562 CG GLU A 40 -2.322 -10.869 -6.312 1.00 0.00 C ATOM 563 CD GLU A 40 -3.594 -10.350 -6.955 1.00 0.00 C ATOM 564 OE1 GLU A 40 -4.383 -9.682 -6.255 1.00 0.00 O ATOM 565 OE2 GLU A 40 -3.799 -10.613 -8.158 1.00 0.00 O ATOM 0 H GLU A 40 -1.771 -11.630 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 40 0.209 -10.852 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.435 -9.596 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.458 -8.955 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.601 -11.117 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.541 -11.792 -5.774 1.00 0.00 H new ATOM 572 N PHE A 41 -0.142 -8.787 -2.859 1.00 0.00 N ATOM 573 CA PHE A 41 0.490 -7.680 -2.149 1.00 0.00 C ATOM 574 C PHE A 41 1.902 -8.053 -1.708 1.00 0.00 C ATOM 575 O PHE A 41 2.820 -7.235 -1.768 1.00 0.00 O ATOM 576 CB PHE A 41 -0.349 -7.282 -0.933 1.00 0.00 C ATOM 577 CG PHE A 41 0.457 -6.669 0.176 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.827 -5.335 0.126 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.845 -7.427 1.269 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.569 -4.768 1.145 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.586 -6.866 2.291 1.00 0.00 C ATOM 582 CZ PHE A 41 1.950 -5.534 2.229 1.00 0.00 C ATOM 0 H PHE A 41 -0.951 -9.187 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 41 0.554 -6.832 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.117 -6.575 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.864 -8.164 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.532 -4.731 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.565 -8.469 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.851 -3.727 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.881 -7.468 3.138 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.531 -5.094 3.026 1.00 0.00 H new ATOM 592 N LYS A 42 2.068 -9.294 -1.263 1.00 0.00 N ATOM 593 CA LYS A 42 3.367 -9.778 -0.811 1.00 0.00 C ATOM 594 C LYS A 42 4.373 -9.788 -1.957 1.00 0.00 C ATOM 595 O LYS A 42 5.453 -9.206 -1.854 1.00 0.00 O ATOM 596 CB LYS A 42 3.234 -11.185 -0.223 1.00 0.00 C ATOM 597 CG LYS A 42 2.574 -11.212 1.145 1.00 0.00 C ATOM 598 CD LYS A 42 1.827 -12.515 1.377 1.00 0.00 C ATOM 599 CE LYS A 42 1.518 -12.725 2.852 1.00 0.00 C ATOM 600 NZ LYS A 42 2.694 -13.255 3.595 1.00 0.00 N ATOM 0 H LYS A 42 1.318 -9.983 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 42 3.730 -9.100 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.655 -11.803 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.225 -11.634 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.331 -11.083 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.882 -10.374 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.898 -12.510 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.424 -13.349 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.204 -11.780 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.682 -13.418 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.443 -13.384 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.978 -14.169 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.484 -12.582 3.520 1.00 0.00 H new ATOM 614 N VAL A 43 4.011 -10.451 -3.051 1.00 0.00 N ATOM 615 CA VAL A 43 4.881 -10.534 -4.218 1.00 0.00 C ATOM 616 C VAL A 43 5.163 -9.150 -4.792 1.00 0.00 C ATOM 617 O VAL A 43 6.313 -8.802 -5.062 1.00 0.00 O ATOM 618 CB VAL A 43 4.262 -11.417 -5.318 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.228 -12.873 -4.878 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.866 -10.926 -5.672 1.00 0.00 C ATOM 0 H VAL A 43 3.121 -10.938 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 43 5.816 -10.984 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 43 4.885 -11.346 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.788 -13.482 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.243 -13.217 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.629 -12.965 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.443 -11.561 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.231 -10.966 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.922 -9.899 -6.032 1.00 0.00 H new ATOM 630 N ARG A 44 4.107 -8.365 -4.976 1.00 0.00 N ATOM 631 CA ARG A 44 4.242 -7.018 -5.519 1.00 0.00 C ATOM 632 C ARG A 44 5.106 -6.149 -4.610 1.00 0.00 C ATOM 633 O ARG A 44 5.934 -5.372 -5.082 1.00 0.00 O ATOM 634 CB ARG A 44 2.864 -6.377 -5.696 1.00 0.00 C ATOM 635 CG ARG A 44 2.189 -6.737 -7.010 1.00 0.00 C ATOM 636 CD ARG A 44 0.747 -6.256 -7.045 1.00 0.00 C ATOM 637 NE ARG A 44 0.269 -6.059 -8.411 1.00 0.00 N ATOM 638 CZ ARG A 44 0.730 -5.114 -9.222 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.677 -4.284 -8.806 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.245 -4.998 -10.451 1.00 0.00 N ATOM 0 H ARG A 44 3.149 -8.638 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 44 4.729 -7.092 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.221 -6.684 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.966 -5.294 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.742 -6.293 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.217 -7.818 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.110 -6.982 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.664 -5.320 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.459 -6.682 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.053 -4.371 -7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.030 -3.559 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.483 -5.635 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.600 -4.272 -11.073 1.00 0.00 H new ATOM 654 N ALA A 45 4.906 -6.287 -3.303 1.00 0.00 N ATOM 655 CA ALA A 45 5.667 -5.516 -2.328 1.00 0.00 C ATOM 656 C ALA A 45 7.096 -6.036 -2.213 1.00 0.00 C ATOM 657 O ALA A 45 8.031 -5.267 -1.983 1.00 0.00 O ATOM 658 CB ALA A 45 4.979 -5.554 -0.972 1.00 0.00 C ATOM 0 H ALA A 45 4.223 -6.926 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 45 5.710 -4.483 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.558 -4.974 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.979 -5.129 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.906 -6.586 -0.630 1.00 0.00 H new ATOM 664 N LEU A 46 7.260 -7.345 -2.373 1.00 0.00 N ATOM 665 CA LEU A 46 8.576 -7.967 -2.286 1.00 0.00 C ATOM 666 C LEU A 46 9.427 -7.615 -3.502 1.00 0.00 C ATOM 667 O LEU A 46 10.573 -7.189 -3.367 1.00 0.00 O ATOM 668 CB LEU A 46 8.437 -9.486 -2.171 1.00 0.00 C ATOM 669 CG LEU A 46 8.086 -10.024 -0.783 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.553 -11.445 -0.880 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.300 -9.970 0.133 1.00 0.00 C ATOM 0 H LEU A 46 6.498 -7.996 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 46 9.073 -7.584 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.669 -9.815 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.375 -9.942 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 46 7.306 -9.393 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.309 -11.811 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.657 -11.456 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.311 -12.088 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.031 -10.357 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.101 -10.576 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.638 -8.938 0.229 1.00 0.00 H new ATOM 683 N GLU A 47 8.856 -7.794 -4.690 1.00 0.00 N ATOM 684 CA GLU A 47 9.562 -7.493 -5.929 1.00 0.00 C ATOM 685 C GLU A 47 10.087 -6.060 -5.922 1.00 0.00 C ATOM 686 O GLU A 47 11.151 -5.775 -6.474 1.00 0.00 O ATOM 687 CB GLU A 47 8.640 -7.703 -7.132 1.00 0.00 C ATOM 688 CG GLU A 47 8.235 -9.153 -7.342 1.00 0.00 C ATOM 689 CD GLU A 47 7.126 -9.306 -8.365 1.00 0.00 C ATOM 690 OE1 GLU A 47 6.019 -8.782 -8.122 1.00 0.00 O ATOM 691 OE2 GLU A 47 7.365 -9.951 -9.407 1.00 0.00 O ATOM 0 H GLU A 47 7.907 -8.146 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 47 10.410 -8.173 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.742 -7.099 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.140 -7.340 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.104 -9.726 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.909 -9.577 -6.392 1.00 0.00 H new ATOM 698 N CYS A 48 9.334 -5.163 -5.295 1.00 0.00 N ATOM 699 CA CYS A 48 9.722 -3.759 -5.216 1.00 0.00 C ATOM 700 C CYS A 48 10.008 -3.354 -3.774 1.00 0.00 C ATOM 701 O CYS A 48 9.717 -2.230 -3.365 1.00 0.00 O ATOM 702 CB CYS A 48 8.622 -2.872 -5.800 1.00 0.00 C ATOM 703 SG CYS A 48 8.720 -2.658 -7.593 1.00 0.00 S ATOM 0 H CYS A 48 8.451 -5.383 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 48 10.634 -3.626 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.652 -3.301 -5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.670 -1.892 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 48 7.747 -1.895 -7.993 1.00 0.00 H new ATOM 709 N HIS A 49 10.578 -4.278 -3.007 1.00 0.00 N ATOM 710 CA HIS A 49 10.902 -4.017 -1.609 1.00 0.00 C ATOM 711 C HIS A 49 12.222 -3.261 -1.489 1.00 0.00 C ATOM 712 O HIS A 49 13.183 -3.521 -2.214 1.00 0.00 O ATOM 713 CB HIS A 49 10.980 -5.329 -0.828 1.00 0.00 C ATOM 714 CG HIS A 49 10.597 -5.192 0.613 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.519 -5.023 1.624 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.383 -5.198 1.211 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.889 -4.933 2.782 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.591 -5.036 2.558 1.00 0.00 N ATOM 0 H HIS A 49 10.825 -5.214 -3.330 1.00 0.00 H new ATOM 0 HA HIS A 49 10.110 -3.398 -1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.327 -6.063 -1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.996 -5.719 -0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.428 -5.310 0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.355 -4.798 3.747 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.862 -5.001 3.270 1.00 0.00 H new ATOM 726 N PRO A 50 12.272 -2.300 -0.554 1.00 0.00 N ATOM 727 CA PRO A 50 13.468 -1.487 -0.318 1.00 0.00 C ATOM 728 C PRO A 50 14.602 -2.291 0.308 1.00 0.00 C ATOM 729 O PRO A 50 15.745 -2.226 -0.145 1.00 0.00 O ATOM 730 CB PRO A 50 12.978 -0.409 0.653 1.00 0.00 C ATOM 731 CG PRO A 50 11.817 -1.028 1.351 1.00 0.00 C ATOM 732 CD PRO A 50 11.164 -1.936 0.345 1.00 0.00 C ATOM 0 HA PRO A 50 13.880 -1.090 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.760 -0.127 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.684 0.497 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.142 -1.587 2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.120 -0.266 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.727 -2.814 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.361 -1.431 -0.191 1.00 0.00 H new ATOM 740 N ASP A 51 14.279 -3.049 1.350 1.00 0.00 N ATOM 741 CA ASP A 51 15.271 -3.868 2.037 1.00 0.00 C ATOM 742 C ASP A 51 16.008 -4.770 1.051 1.00 0.00 C ATOM 743 O ASP A 51 17.191 -5.062 1.226 1.00 0.00 O ATOM 744 CB ASP A 51 14.602 -4.715 3.120 1.00 0.00 C ATOM 745 CG ASP A 51 15.568 -5.677 3.782 1.00 0.00 C ATOM 746 OD1 ASP A 51 16.228 -5.275 4.764 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.665 -6.833 3.320 1.00 0.00 O ATOM 0 H ASP A 51 13.338 -3.113 1.738 1.00 0.00 H new ATOM 0 HA ASP A 51 15.996 -3.202 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.172 -4.059 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.778 -5.277 2.680 1.00 0.00 H new ATOM 752 N LYS A 52 15.300 -5.209 0.016 1.00 0.00 N ATOM 753 CA LYS A 52 15.886 -6.077 -0.998 1.00 0.00 C ATOM 754 C LYS A 52 16.566 -5.257 -2.090 1.00 0.00 C ATOM 755 O LYS A 52 17.611 -5.646 -2.613 1.00 0.00 O ATOM 756 CB LYS A 52 14.809 -6.974 -1.615 1.00 0.00 C ATOM 757 CG LYS A 52 14.579 -8.264 -0.847 1.00 0.00 C ATOM 758 CD LYS A 52 13.623 -8.058 0.315 1.00 0.00 C ATOM 759 CE LYS A 52 13.639 -9.244 1.267 1.00 0.00 C ATOM 760 NZ LYS A 52 12.499 -9.203 2.224 1.00 0.00 N ATOM 0 H LYS A 52 14.319 -4.978 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 52 16.638 -6.701 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.872 -6.420 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.093 -7.216 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.178 -9.022 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.531 -8.641 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.896 -7.152 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.613 -7.909 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.599 -10.170 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.578 -9.252 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.546 -10.028 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.551 -8.331 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.603 -9.221 1.697 1.00 0.00 H new ATOM 774 N HIS A 53 15.967 -4.120 -2.429 1.00 0.00 N ATOM 775 CA HIS A 53 16.517 -3.243 -3.457 1.00 0.00 C ATOM 776 C HIS A 53 16.819 -1.860 -2.888 1.00 0.00 C ATOM 777 O HIS A 53 16.023 -0.928 -3.001 1.00 0.00 O ATOM 778 CB HIS A 53 15.543 -3.123 -4.629 1.00 0.00 C ATOM 779 CG HIS A 53 14.945 -4.432 -5.048 1.00 0.00 C ATOM 780 ND1 HIS A 53 15.595 -5.327 -5.871 1.00 0.00 N ATOM 781 CD2 HIS A 53 13.751 -4.995 -4.751 1.00 0.00 C ATOM 782 CE1 HIS A 53 14.826 -6.383 -6.063 1.00 0.00 C ATOM 783 NE2 HIS A 53 13.701 -6.207 -5.394 1.00 0.00 N ATOM 0 H HIS A 53 15.101 -3.784 -2.007 1.00 0.00 H new ATOM 0 HA HIS A 53 17.450 -3.682 -3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.741 -2.438 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.063 -2.682 -5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.981 -4.570 -4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.075 -7.244 -6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.922 -6.864 -5.360 1.00 0.00 H new ATOM 791 N PRO A 54 17.997 -1.723 -2.261 1.00 0.00 N ATOM 792 CA PRO A 54 18.431 -0.457 -1.661 1.00 0.00 C ATOM 793 C PRO A 54 18.755 0.600 -2.711 1.00 0.00 C ATOM 794 O PRO A 54 18.284 1.734 -2.628 1.00 0.00 O ATOM 795 CB PRO A 54 19.693 -0.846 -0.887 1.00 0.00 C ATOM 796 CG PRO A 54 20.207 -2.057 -1.585 1.00 0.00 C ATOM 797 CD PRO A 54 18.996 -2.791 -2.089 1.00 0.00 C ATOM 0 HA PRO A 54 17.654 -0.012 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.428 -0.041 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.467 -1.057 0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.867 -1.782 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.787 -2.682 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.200 -3.306 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.659 -3.546 -1.379 1.00 0.00 H new ATOM 805 N GLU A 55 19.562 0.221 -3.697 1.00 0.00 N ATOM 806 CA GLU A 55 19.948 1.139 -4.763 1.00 0.00 C ATOM 807 C GLU A 55 18.753 1.964 -5.230 1.00 0.00 C ATOM 808 O GLU A 55 18.897 3.125 -5.612 1.00 0.00 O ATOM 809 CB GLU A 55 20.540 0.365 -5.943 1.00 0.00 C ATOM 810 CG GLU A 55 21.920 -0.208 -5.664 1.00 0.00 C ATOM 811 CD GLU A 55 21.879 -1.392 -4.717 1.00 0.00 C ATOM 812 OE1 GLU A 55 20.966 -2.232 -4.855 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.761 -1.478 -3.837 1.00 0.00 O ATOM 0 H GLU A 55 19.961 -0.714 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 55 20.703 1.818 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.865 -0.449 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.598 1.026 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.379 -0.515 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.554 0.571 -5.239 1.00 0.00 H new ATOM 820 N ASN A 56 17.572 1.356 -5.197 1.00 0.00 N ATOM 821 CA ASN A 56 16.351 2.033 -5.618 1.00 0.00 C ATOM 822 C ASN A 56 15.483 2.388 -4.414 1.00 0.00 C ATOM 823 O ASN A 56 14.578 1.647 -4.030 1.00 0.00 O ATOM 824 CB ASN A 56 15.562 1.150 -6.587 1.00 0.00 C ATOM 825 CG ASN A 56 14.556 1.942 -7.401 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.860 3.025 -7.901 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.350 1.402 -7.538 1.00 0.00 N ATOM 0 H ASN A 56 17.434 0.395 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 56 16.633 2.956 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.254 0.646 -7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.041 0.374 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.632 1.888 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.142 0.502 -7.106 1.00 0.00 H new ATOM 834 N PRO A 57 15.763 3.549 -3.804 1.00 0.00 N ATOM 835 CA PRO A 57 15.019 4.030 -2.637 1.00 0.00 C ATOM 836 C PRO A 57 13.595 4.445 -2.988 1.00 0.00 C ATOM 837 O PRO A 57 12.753 4.622 -2.107 1.00 0.00 O ATOM 838 CB PRO A 57 15.831 5.242 -2.173 1.00 0.00 C ATOM 839 CG PRO A 57 16.538 5.714 -3.396 1.00 0.00 C ATOM 840 CD PRO A 57 16.828 4.482 -4.208 1.00 0.00 C ATOM 0 HA PRO A 57 14.910 3.257 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.185 6.019 -1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.536 4.969 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.921 6.415 -3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.459 6.237 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.796 4.689 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.818 4.081 -3.990 1.00 0.00 H new ATOM 848 N LYS A 58 13.330 4.601 -4.280 1.00 0.00 N ATOM 849 CA LYS A 58 12.007 4.994 -4.749 1.00 0.00 C ATOM 850 C LYS A 58 10.993 3.879 -4.515 1.00 0.00 C ATOM 851 O LYS A 58 9.785 4.116 -4.514 1.00 0.00 O ATOM 852 CB LYS A 58 12.055 5.349 -6.237 1.00 0.00 C ATOM 853 CG LYS A 58 12.611 6.735 -6.514 1.00 0.00 C ATOM 854 CD LYS A 58 11.616 7.820 -6.139 1.00 0.00 C ATOM 855 CE LYS A 58 12.279 9.188 -6.078 1.00 0.00 C ATOM 856 NZ LYS A 58 13.171 9.424 -7.246 1.00 0.00 N ATOM 0 H LYS A 58 14.015 4.461 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 58 11.694 5.871 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.665 4.611 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.049 5.281 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.534 6.877 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.864 6.822 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.806 7.840 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.170 7.587 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.512 9.962 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.856 9.271 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.429 10.431 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.032 8.850 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.676 9.157 -8.121 1.00 0.00 H new ATOM 870 N ALA A 59 11.492 2.664 -4.314 1.00 0.00 N ATOM 871 CA ALA A 59 10.629 1.514 -4.074 1.00 0.00 C ATOM 872 C ALA A 59 9.875 1.658 -2.757 1.00 0.00 C ATOM 873 O ALA A 59 8.756 1.165 -2.613 1.00 0.00 O ATOM 874 CB ALA A 59 11.447 0.231 -4.079 1.00 0.00 C ATOM 0 H ALA A 59 12.489 2.451 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 59 9.895 1.468 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.790 -0.620 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.935 0.114 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.203 0.278 -3.295 1.00 0.00 H new ATOM 880 N VAL A 60 10.495 2.337 -1.796 1.00 0.00 N ATOM 881 CA VAL A 60 9.882 2.547 -0.490 1.00 0.00 C ATOM 882 C VAL A 60 8.510 3.197 -0.625 1.00 0.00 C ATOM 883 O VAL A 60 7.530 2.727 -0.048 1.00 0.00 O ATOM 884 CB VAL A 60 10.769 3.426 0.411 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.083 3.688 1.743 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.127 2.773 0.621 1.00 0.00 C ATOM 0 H VAL A 60 11.422 2.751 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 60 9.771 1.565 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 60 10.925 4.384 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.725 4.311 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.137 4.201 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.895 2.741 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.741 3.408 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.994 1.801 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.621 2.642 -0.342 1.00 0.00 H new ATOM 896 N GLU A 61 8.449 4.282 -1.392 1.00 0.00 N ATOM 897 CA GLU A 61 7.196 4.998 -1.602 1.00 0.00 C ATOM 898 C GLU A 61 6.065 4.029 -1.934 1.00 0.00 C ATOM 899 O GLU A 61 4.958 4.142 -1.405 1.00 0.00 O ATOM 900 CB GLU A 61 7.351 6.023 -2.727 1.00 0.00 C ATOM 901 CG GLU A 61 6.052 6.715 -3.103 1.00 0.00 C ATOM 902 CD GLU A 61 6.241 7.766 -4.179 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.757 8.858 -3.860 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.873 7.497 -5.342 1.00 0.00 O ATOM 0 H GLU A 61 9.251 4.683 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 61 6.945 5.519 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.079 6.775 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.756 5.525 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.335 5.971 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.623 7.182 -2.216 1.00 0.00 H new ATOM 911 N THR A 62 6.350 3.076 -2.816 1.00 0.00 N ATOM 912 CA THR A 62 5.358 2.088 -3.221 1.00 0.00 C ATOM 913 C THR A 62 4.967 1.190 -2.053 1.00 0.00 C ATOM 914 O THR A 62 3.784 0.955 -1.807 1.00 0.00 O ATOM 915 CB THR A 62 5.878 1.211 -4.376 1.00 0.00 C ATOM 916 OG1 THR A 62 5.974 1.988 -5.576 1.00 0.00 O ATOM 917 CG2 THR A 62 4.958 0.022 -4.609 1.00 0.00 C ATOM 0 H THR A 62 7.260 2.968 -3.264 1.00 0.00 H new ATOM 0 HA THR A 62 4.482 2.641 -3.560 1.00 0.00 H new ATOM 0 HB THR A 62 6.866 0.839 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.307 1.424 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.345 -0.583 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.909 -0.583 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.959 0.379 -4.861 1.00 0.00 H new ATOM 925 N PHE A 63 5.968 0.691 -1.336 1.00 0.00 N ATOM 926 CA PHE A 63 5.728 -0.182 -0.193 1.00 0.00 C ATOM 927 C PHE A 63 4.748 0.458 0.785 1.00 0.00 C ATOM 928 O PHE A 63 4.062 -0.235 1.536 1.00 0.00 O ATOM 929 CB PHE A 63 7.045 -0.497 0.521 1.00 0.00 C ATOM 930 CG PHE A 63 6.925 -1.586 1.548 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.479 -2.848 1.190 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.257 -1.348 2.872 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.367 -3.853 2.133 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.148 -2.349 3.819 1.00 0.00 C ATOM 935 CZ PHE A 63 6.702 -3.602 3.449 1.00 0.00 C ATOM 0 H PHE A 63 6.953 0.876 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 63 5.291 -1.110 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.790 -0.788 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.412 0.408 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.216 -3.049 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.605 -0.369 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.018 -4.832 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.412 -2.151 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.615 -4.385 4.188 1.00 0.00 H new ATOM 945 N GLN A 64 4.688 1.786 0.769 1.00 0.00 N ATOM 946 CA GLN A 64 3.793 2.521 1.655 1.00 0.00 C ATOM 947 C GLN A 64 2.346 2.403 1.186 1.00 0.00 C ATOM 948 O GLN A 64 1.438 2.185 1.988 1.00 0.00 O ATOM 949 CB GLN A 64 4.202 3.993 1.722 1.00 0.00 C ATOM 950 CG GLN A 64 5.541 4.222 2.404 1.00 0.00 C ATOM 951 CD GLN A 64 5.623 5.572 3.090 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.158 6.581 2.558 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.217 5.597 4.277 1.00 0.00 N ATOM 0 H GLN A 64 5.248 2.374 0.152 1.00 0.00 H new ATOM 0 HA GLN A 64 3.870 2.085 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.246 4.396 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.432 4.551 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.710 3.435 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.339 4.145 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.588 4.736 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.302 6.477 4.786 1.00 0.00 H new ATOM 962 N LYS A 65 2.138 2.551 -0.118 1.00 0.00 N ATOM 963 CA LYS A 65 0.803 2.460 -0.695 1.00 0.00 C ATOM 964 C LYS A 65 0.395 1.005 -0.899 1.00 0.00 C ATOM 965 O LYS A 65 -0.791 0.692 -1.015 1.00 0.00 O ATOM 966 CB LYS A 65 0.750 3.207 -2.030 1.00 0.00 C ATOM 967 CG LYS A 65 1.599 2.571 -3.117 1.00 0.00 C ATOM 968 CD LYS A 65 1.485 3.328 -4.429 1.00 0.00 C ATOM 969 CE LYS A 65 2.747 3.187 -5.266 1.00 0.00 C ATOM 970 NZ LYS A 65 3.731 4.266 -4.973 1.00 0.00 N ATOM 0 H LYS A 65 2.878 2.735 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 65 0.102 2.921 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.285 3.254 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.082 4.234 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.641 2.548 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.288 1.537 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.630 2.955 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.297 4.382 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.204 2.217 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.486 3.211 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.693 3.918 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.537 5.087 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.651 4.548 -3.975 1.00 0.00 H new ATOM 984 N LEU A 66 1.384 0.118 -0.939 1.00 0.00 N ATOM 985 CA LEU A 66 1.127 -1.305 -1.127 1.00 0.00 C ATOM 986 C LEU A 66 0.626 -1.943 0.165 1.00 0.00 C ATOM 987 O LEU A 66 -0.243 -2.815 0.141 1.00 0.00 O ATOM 988 CB LEU A 66 2.398 -2.014 -1.599 1.00 0.00 C ATOM 989 CG LEU A 66 2.600 -2.093 -3.112 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.942 -2.728 -3.440 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.466 -2.874 -3.761 1.00 0.00 C ATOM 0 H LEU A 66 2.370 0.360 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 66 0.354 -1.412 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.257 -1.504 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.394 -3.028 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 66 2.594 -1.079 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.067 -2.775 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.743 -2.129 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.979 -3.736 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.626 -2.920 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.441 -3.885 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.518 -2.377 -3.556 1.00 0.00 H new ATOM 1003 N GLN A 67 1.177 -1.501 1.290 1.00 0.00 N ATOM 1004 CA GLN A 67 0.784 -2.028 2.592 1.00 0.00 C ATOM 1005 C GLN A 67 -0.459 -1.315 3.115 1.00 0.00 C ATOM 1006 O GLN A 67 -1.117 -1.790 4.041 1.00 0.00 O ATOM 1007 CB GLN A 67 1.931 -1.880 3.593 1.00 0.00 C ATOM 1008 CG GLN A 67 2.153 -0.450 4.056 1.00 0.00 C ATOM 1009 CD GLN A 67 2.827 -0.373 5.412 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.197 -0.599 6.445 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.116 -0.054 5.416 1.00 0.00 N ATOM 0 H GLN A 67 1.897 -0.779 1.327 1.00 0.00 H new ATOM 0 HA GLN A 67 0.550 -3.086 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.728 -2.507 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.849 -2.253 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.763 0.075 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.194 0.066 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.600 0.125 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.622 0.012 6.299 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.775 -0.172 2.516 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.939 0.607 2.920 1.00 0.00 C ATOM 1022 C LYS A 68 -3.211 0.053 2.286 1.00 0.00 C ATOM 1023 O LYS A 68 -4.186 -0.237 2.979 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.758 2.075 2.526 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.996 2.924 2.758 1.00 0.00 C ATOM 1026 CD LYS A 68 -3.045 3.462 4.179 1.00 0.00 C ATOM 1027 CE LYS A 68 -4.332 4.229 4.440 1.00 0.00 C ATOM 1028 NZ LYS A 68 -4.581 4.416 5.896 1.00 0.00 N ATOM 0 H LYS A 68 -0.241 0.236 1.749 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.034 0.537 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.928 2.495 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.483 2.129 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.006 3.755 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.888 2.329 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.963 2.636 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.190 4.115 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.280 5.203 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.170 3.694 3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.529 4.821 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.522 3.497 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.867 5.061 6.290 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.194 -0.092 0.965 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.345 -0.614 0.239 1.00 0.00 C ATOM 1044 C ALA A 69 -4.758 -1.981 0.774 1.00 0.00 C ATOM 1045 O ALA A 69 -5.946 -2.283 0.884 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.035 -0.700 -1.249 1.00 0.00 C ATOM 0 H ALA A 69 -2.396 0.145 0.376 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.179 0.072 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.903 -1.091 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.795 0.293 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.185 -1.363 -1.406 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.770 -2.804 1.106 1.00 0.00 N ATOM 1053 CA LYS A 70 -4.030 -4.140 1.631 1.00 0.00 C ATOM 1054 C LYS A 70 -5.007 -4.083 2.801 1.00 0.00 C ATOM 1055 O LYS A 70 -6.046 -4.743 2.785 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.722 -4.798 2.077 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.924 -6.001 2.981 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.626 -6.420 3.651 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.886 -7.223 4.917 1.00 0.00 C ATOM 1060 NZ LYS A 70 -2.016 -8.679 4.633 1.00 0.00 N ATOM 0 H LYS A 70 -2.781 -2.570 1.021 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.477 -4.736 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.161 -5.107 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.113 -4.060 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.667 -5.764 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.319 -6.833 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.033 -7.015 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.039 -5.535 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.071 -7.062 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.797 -6.863 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.921 -9.027 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.985 -8.836 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.233 -9.192 5.086 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.667 -3.291 3.813 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.516 -3.149 4.990 1.00 0.00 C ATOM 1076 C GLU A 71 -6.906 -2.652 4.602 1.00 0.00 C ATOM 1077 O GLU A 71 -7.914 -3.109 5.141 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.879 -2.186 5.993 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.243 -2.483 7.438 1.00 0.00 C ATOM 1080 CD GLU A 71 -6.533 -1.810 7.865 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -7.133 -1.097 7.034 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -6.941 -1.995 9.031 1.00 0.00 O ATOM 0 H GLU A 71 -3.810 -2.738 3.841 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.617 -4.130 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.795 -2.226 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.186 -1.168 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.339 -3.561 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.433 -2.153 8.088 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.950 -1.712 3.663 1.00 0.00 N ATOM 1090 CA ILE A 72 -8.214 -1.153 3.202 1.00 0.00 C ATOM 1091 C ILE A 72 -9.106 -2.232 2.598 1.00 0.00 C ATOM 1092 O ILE A 72 -10.288 -2.335 2.931 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.992 -0.043 2.157 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -7.233 1.130 2.780 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.323 0.423 1.587 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.887 1.678 4.029 1.00 0.00 C ATOM 0 H ILE A 72 -6.125 -1.322 3.207 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.706 -0.726 4.076 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.392 -0.447 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.220 0.809 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.148 1.929 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.149 1.207 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.829 -0.417 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.947 0.813 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.295 2.507 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.891 2.030 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.948 0.893 4.782 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.533 -3.037 1.711 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.275 -4.112 1.061 1.00 0.00 C ATOM 1110 C LEU A 73 -9.462 -5.294 2.008 1.00 0.00 C ATOM 1111 O LEU A 73 -10.587 -5.642 2.369 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.547 -4.569 -0.205 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.354 -3.507 -1.288 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.458 -4.034 -2.398 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.698 -3.066 -1.848 1.00 0.00 C ATOM 0 H LEU A 73 -7.557 -2.966 1.425 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.258 -3.728 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.567 -4.950 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.100 -5.403 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.869 -2.641 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.332 -3.265 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.485 -4.299 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.914 -4.917 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.541 -2.310 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.211 -3.924 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.306 -2.647 -1.046 1.00 0.00 H new ATOM 1127 N THR A 74 -8.353 -5.907 2.408 1.00 0.00 N ATOM 1128 CA THR A 74 -8.394 -7.048 3.313 1.00 0.00 C ATOM 1129 C THR A 74 -9.538 -6.916 4.312 1.00 0.00 C ATOM 1130 O THR A 74 -10.211 -7.895 4.632 1.00 0.00 O ATOM 1131 CB THR A 74 -7.069 -7.202 4.084 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.764 -5.989 4.781 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.930 -7.549 3.138 1.00 0.00 C ATOM 0 H THR A 74 -7.414 -5.632 2.119 1.00 0.00 H new ATOM 0 HA THR A 74 -8.552 -7.934 2.698 1.00 0.00 H new ATOM 0 HB THR A 74 -7.184 -8.014 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.659 -5.259 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.005 -7.653 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.152 -8.488 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.816 -6.756 2.399 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.753 -5.699 4.802 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.816 -5.439 5.765 1.00 0.00 C ATOM 1143 C ASN A 75 -12.136 -5.155 5.055 1.00 0.00 C ATOM 1144 O ASN A 75 -12.218 -4.263 4.211 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.442 -4.258 6.663 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.647 -4.687 7.881 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -8.614 -3.921 8.213 1.00 0.00 O flip ATOM 1148 ND2 ASN A 75 -9.959 -5.695 8.516 1.00 0.00 N flip ATOM 0 H ASN A 75 -9.205 -4.877 4.548 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.940 -6.330 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.860 -3.538 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.350 -3.749 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.761 -6.254 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.415 -5.971 9.334 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.167 -5.918 5.404 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.482 -5.748 4.799 1.00 0.00 C ATOM 1157 C GLU A 76 -15.085 -4.398 5.179 1.00 0.00 C ATOM 1158 O GLU A 76 -15.817 -3.792 4.397 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.419 -6.877 5.235 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.797 -6.821 6.705 1.00 0.00 C ATOM 1161 CD GLU A 76 -14.728 -7.408 7.606 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -13.993 -8.307 7.147 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -14.626 -6.967 8.770 1.00 0.00 O ATOM 0 H GLU A 76 -13.117 -6.660 6.102 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.362 -5.782 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.327 -6.837 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.941 -7.835 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.978 -5.785 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.731 -7.361 6.857 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.772 -3.935 6.385 1.00 0.00 N ATOM 1171 CA GLU A 77 -15.284 -2.659 6.869 1.00 0.00 C ATOM 1172 C GLU A 77 -14.698 -1.499 6.068 1.00 0.00 C ATOM 1173 O GLU A 77 -15.429 -0.639 5.577 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.957 -2.483 8.354 1.00 0.00 C ATOM 1175 CG GLU A 77 -13.468 -2.482 8.654 1.00 0.00 C ATOM 1176 CD GLU A 77 -13.163 -2.838 10.096 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -13.757 -3.810 10.606 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -12.329 -2.143 10.714 1.00 0.00 O ATOM 0 H GLU A 77 -14.167 -4.424 7.044 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.366 -2.658 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.390 -1.546 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.432 -3.285 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.968 -3.192 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.057 -1.497 8.432 1.00 0.00 H new ATOM 1185 N SER A 78 -13.375 -1.483 5.941 1.00 0.00 N ATOM 1186 CA SER A 78 -12.691 -0.428 5.204 1.00 0.00 C ATOM 1187 C SER A 78 -12.986 -0.529 3.711 1.00 0.00 C ATOM 1188 O SER A 78 -13.243 0.476 3.048 1.00 0.00 O ATOM 1189 CB SER A 78 -11.182 -0.506 5.444 1.00 0.00 C ATOM 1190 OG SER A 78 -10.846 -0.040 6.739 1.00 0.00 O ATOM 0 H SER A 78 -12.756 -2.189 6.339 1.00 0.00 H new ATOM 0 HA SER A 78 -13.060 0.532 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.845 -1.536 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.660 0.088 4.694 1.00 0.00 H new ATOM 0 HG SER A 78 -9.876 -0.102 6.868 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.946 -1.750 3.188 1.00 0.00 N ATOM 1197 CA ARG A 79 -13.208 -1.984 1.773 1.00 0.00 C ATOM 1198 C ARG A 79 -14.528 -1.344 1.351 1.00 0.00 C ATOM 1199 O ARG A 79 -14.612 -0.703 0.304 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.240 -3.485 1.479 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.377 -3.814 0.002 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.988 -5.255 -0.287 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.947 -5.535 -1.720 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.911 -6.761 -2.229 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.913 -7.816 -1.425 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.875 -6.935 -3.544 1.00 0.00 N ATOM 0 H ARG A 79 -12.735 -2.592 3.723 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.402 -1.526 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.326 -3.941 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.071 -3.935 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.406 -3.643 -0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.747 -3.142 -0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.011 -5.461 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.700 -5.926 0.193 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.946 -4.745 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.942 -7.686 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.885 -8.757 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.875 -6.126 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.847 -7.877 -3.933 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.556 -1.524 2.174 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.871 -0.964 1.887 1.00 0.00 C ATOM 1222 C ALA A 80 -16.809 0.557 1.785 1.00 0.00 C ATOM 1223 O ALA A 80 -17.255 1.141 0.797 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.868 -1.383 2.957 1.00 0.00 C ATOM 0 H ALA A 80 -15.503 -2.053 3.044 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.203 -1.354 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.846 -0.958 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.942 -2.470 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.532 -1.022 3.929 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.255 1.192 2.813 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.138 2.645 2.839 1.00 0.00 C ATOM 1232 C ARG A 81 -15.478 3.160 1.564 1.00 0.00 C ATOM 1233 O ARG A 81 -15.982 4.081 0.920 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.330 3.090 4.060 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.017 2.799 5.384 1.00 0.00 C ATOM 1236 CD ARG A 81 -17.050 3.863 5.721 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.464 3.799 7.121 1.00 0.00 N ATOM 1238 CZ ARG A 81 -18.123 4.774 7.737 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -18.440 5.881 7.082 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -18.465 4.642 9.012 1.00 0.00 N ATOM 0 H ARG A 81 -15.881 0.723 3.638 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.142 3.065 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.361 2.591 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.138 4.161 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.500 1.823 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.272 2.749 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.637 4.849 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.922 3.738 5.079 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.234 2.960 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.178 5.986 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.946 6.628 7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.222 3.791 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.971 5.391 9.484 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.348 2.561 1.204 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.618 2.961 0.008 1.00 0.00 C ATOM 1256 C TYR A 82 -14.563 3.124 -1.179 1.00 0.00 C ATOM 1257 O TYR A 82 -14.599 4.176 -1.818 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.538 1.929 -0.325 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.842 2.185 -1.643 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.141 3.364 -1.863 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.886 1.247 -2.667 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.504 3.602 -3.066 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -11.251 1.476 -3.873 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.562 2.655 -4.067 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.929 2.887 -5.267 1.00 0.00 O ATOM 0 H TYR A 82 -13.918 1.796 1.724 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.145 3.922 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.796 1.922 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.990 0.937 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.093 4.107 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.426 0.323 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.964 4.524 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.294 0.736 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.066 2.121 -5.863 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.327 2.077 -1.466 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.275 2.103 -2.574 1.00 0.00 C ATOM 1277 C ASP A 83 -17.166 3.339 -2.498 1.00 0.00 C ATOM 1278 O ASP A 83 -17.578 3.884 -3.522 1.00 0.00 O ATOM 1279 CB ASP A 83 -17.135 0.838 -2.568 1.00 0.00 C ATOM 1280 CG ASP A 83 -16.331 -0.410 -2.878 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -15.267 -0.602 -2.252 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.766 -1.195 -3.747 1.00 0.00 O ATOM 0 H ASP A 83 -15.309 1.199 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.708 2.143 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.609 0.729 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.935 0.943 -3.301 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.461 3.775 -1.277 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.305 4.946 -1.067 1.00 0.00 C ATOM 1289 C HIS A 84 -17.635 6.203 -1.615 1.00 0.00 C ATOM 1290 O HIS A 84 -18.294 7.063 -2.201 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.606 5.123 0.421 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.690 6.119 0.699 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.023 5.870 0.447 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.633 7.370 1.211 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.738 6.926 0.790 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.918 7.851 1.257 1.00 0.00 N ATOM 0 H HIS A 84 -17.128 3.335 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.241 4.790 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.893 4.159 0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.696 5.437 0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.742 7.893 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.811 7.018 0.704 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.195 8.772 1.596 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.325 6.302 -1.421 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.568 7.454 -1.896 1.00 0.00 C ATOM 1306 C TRP A 85 -15.530 7.490 -3.420 1.00 0.00 C ATOM 1307 O TRP A 85 -15.666 8.552 -4.028 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.144 7.419 -1.339 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.226 8.408 -1.990 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -12.928 9.665 -1.547 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.489 8.224 -3.204 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.050 10.273 -2.412 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.765 9.409 -3.436 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.370 7.172 -4.116 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.935 9.570 -4.543 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.546 7.333 -5.214 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.837 8.524 -5.419 1.00 0.00 C ATOM 0 H TRP A 85 -15.765 5.599 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.067 8.356 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.176 7.615 -0.267 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.736 6.416 -1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.324 10.115 -0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.672 11.215 -2.308 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.912 6.250 -3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.389 10.488 -4.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.447 6.527 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.200 8.618 -6.286 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.344 6.325 -4.031 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.287 6.225 -5.484 1.00 0.00 C ATOM 1330 C ARG A 86 -16.551 6.799 -6.118 1.00 0.00 C ATOM 1331 O ARG A 86 -16.483 7.534 -7.104 1.00 0.00 O ATOM 1332 CB ARG A 86 -15.108 4.766 -5.909 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.694 4.244 -5.713 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.398 3.075 -6.640 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.399 3.477 -8.044 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.344 3.999 -8.660 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -11.210 4.182 -7.998 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.423 4.339 -9.940 1.00 0.00 N ATOM 0 H ARG A 86 -15.230 5.437 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.432 6.805 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.798 4.143 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.381 4.666 -6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.980 5.046 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.561 3.931 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.428 2.647 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.141 2.293 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.257 3.350 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.146 3.922 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.401 4.583 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.294 4.200 -10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.613 4.740 -10.412 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.701 6.458 -5.547 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.979 6.938 -6.057 1.00 0.00 C ATOM 1354 C ARG A 87 -19.146 8.431 -5.788 1.00 0.00 C ATOM 1355 O ARG A 87 -19.886 9.120 -6.491 1.00 0.00 O ATOM 1356 CB ARG A 87 -20.132 6.162 -5.418 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.265 6.392 -3.921 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.705 6.230 -3.459 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.596 7.197 -4.094 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.892 7.294 -3.818 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -24.445 6.487 -2.923 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.637 8.200 -4.437 1.00 0.00 N ATOM 0 H ARG A 87 -17.774 5.851 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.995 6.776 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -21.065 6.447 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.988 5.097 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.628 5.688 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.912 7.393 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.047 5.220 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.754 6.349 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.202 7.833 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.875 5.789 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.440 6.564 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.215 8.823 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.632 8.274 -4.224 1.00 0.00 H new ATOM 1376 N SER A 88 -18.455 8.923 -4.765 1.00 0.00 N ATOM 1377 CA SER A 88 -18.530 10.333 -4.400 1.00 0.00 C ATOM 1378 C SER A 88 -17.655 11.180 -5.319 1.00 0.00 C ATOM 1379 O SER A 88 -18.027 12.291 -5.695 1.00 0.00 O ATOM 1380 CB SER A 88 -18.099 10.528 -2.945 1.00 0.00 C ATOM 1381 OG SER A 88 -19.117 10.114 -2.051 1.00 0.00 O ATOM 0 H SER A 88 -17.837 8.367 -4.174 1.00 0.00 H new ATOM 0 HA SER A 88 -19.565 10.657 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.189 9.960 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.862 11.578 -2.770 1.00 0.00 H new ATOM 0 HG SER A 88 -19.059 9.145 -1.915 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.492 10.645 -5.677 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.564 11.351 -6.552 1.00 0.00 C ATOM 1389 C GLN A 89 -15.139 12.680 -5.935 1.00 0.00 C ATOM 1390 O GLN A 89 -15.046 13.694 -6.626 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.203 11.592 -7.921 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.312 10.337 -8.771 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.970 10.595 -10.112 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -16.468 11.372 -10.924 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -18.102 9.944 -10.351 1.00 0.00 N ATOM 0 H GLN A 89 -16.170 9.725 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.678 10.729 -6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.199 12.012 -7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.617 12.336 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.316 9.925 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.884 9.584 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.483 9.309 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -18.591 10.079 -11.236 1.00 0.00 H new ATOM 1404 N MET A 90 -14.882 12.666 -4.631 1.00 0.00 N ATOM 1405 CA MET A 90 -14.465 13.870 -3.922 1.00 0.00 C ATOM 1406 C MET A 90 -13.331 14.572 -4.662 1.00 0.00 C ATOM 1407 O MET A 90 -12.599 13.948 -5.430 1.00 0.00 O ATOM 1408 CB MET A 90 -14.024 13.523 -2.499 1.00 0.00 C ATOM 1409 CG MET A 90 -15.082 12.780 -1.699 1.00 0.00 C ATOM 1410 SD MET A 90 -16.269 13.890 -0.918 1.00 0.00 S ATOM 1411 CE MET A 90 -17.065 12.776 0.236 1.00 0.00 C ATOM 0 H MET A 90 -14.955 11.835 -4.044 1.00 0.00 H new ATOM 0 HA MET A 90 -15.318 14.547 -3.875 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.121 12.914 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.762 14.442 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.613 12.092 -2.357 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.595 12.177 -0.932 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.828 13.317 0.796 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.530 11.956 -0.312 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.323 12.376 0.927 1.00 0.00 H new ATOM 1421 N SER A 91 -13.191 15.872 -4.425 1.00 0.00 N ATOM 1422 CA SER A 91 -12.148 16.659 -5.072 1.00 0.00 C ATOM 1423 C SER A 91 -10.763 16.153 -4.681 1.00 0.00 C ATOM 1424 O SER A 91 -9.814 16.246 -5.458 1.00 0.00 O ATOM 1425 CB SER A 91 -12.288 18.136 -4.699 1.00 0.00 C ATOM 1426 OG SER A 91 -13.505 18.673 -5.187 1.00 0.00 O ATOM 0 H SER A 91 -13.787 16.403 -3.790 1.00 0.00 H new ATOM 0 HA SER A 91 -12.263 16.552 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.247 18.246 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.449 18.699 -5.108 1.00 0.00 H new ATOM 0 HG SER A 91 -13.571 19.617 -4.934 1.00 0.00 H new ATOM 1432 N MET A 92 -10.657 15.616 -3.469 1.00 0.00 N ATOM 1433 CA MET A 92 -9.389 15.093 -2.974 1.00 0.00 C ATOM 1434 C MET A 92 -9.384 13.568 -2.998 1.00 0.00 C ATOM 1435 O MET A 92 -10.428 12.919 -2.943 1.00 0.00 O ATOM 1436 CB MET A 92 -9.127 15.594 -1.552 1.00 0.00 C ATOM 1437 CG MET A 92 -9.684 14.679 -0.473 1.00 0.00 C ATOM 1438 SD MET A 92 -11.487 14.645 -0.453 1.00 0.00 S ATOM 1439 CE MET A 92 -11.825 15.529 1.067 1.00 0.00 C ATOM 0 H MET A 92 -11.433 15.532 -2.813 1.00 0.00 H new ATOM 0 HA MET A 92 -8.595 15.451 -3.630 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.052 15.702 -1.406 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.566 16.585 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.307 13.668 -0.629 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.320 15.008 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.902 15.591 1.220 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.370 15.000 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.409 16.534 1.003 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.180 12.981 -3.081 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.010 11.525 -3.114 1.00 0.00 C ATOM 1451 C PRO A 93 -8.345 10.873 -1.777 1.00 0.00 C ATOM 1452 O PRO A 93 -8.224 11.497 -0.723 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.525 11.349 -3.439 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.880 12.601 -2.952 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.893 13.693 -3.150 1.00 0.00 C ATOM 0 HA PRO A 93 -8.676 11.052 -3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.112 10.471 -2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.367 11.213 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.601 12.513 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.966 12.811 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.815 14.458 -2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.762 14.194 -4.109 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.765 9.613 -1.827 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.117 8.876 -0.620 1.00 0.00 C ATOM 1465 C PHE A 94 -8.103 9.135 0.491 1.00 0.00 C ATOM 1466 O PHE A 94 -8.472 9.342 1.646 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.194 7.376 -0.916 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.722 6.565 0.232 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.087 6.410 0.418 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.855 5.956 1.125 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.576 5.664 1.473 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.338 5.209 2.183 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.701 5.062 2.356 1.00 0.00 C ATOM 0 H PHE A 94 -8.870 9.081 -2.691 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.094 9.224 -0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.832 7.218 -1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.200 7.014 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.776 6.878 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.789 6.066 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.642 5.552 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.651 4.741 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.082 4.477 3.180 1.00 0.00 H new ATOM 1483 N GLN A 95 -6.823 9.120 0.131 1.00 0.00 N ATOM 1484 CA GLN A 95 -5.756 9.352 1.097 1.00 0.00 C ATOM 1485 C GLN A 95 -6.111 10.500 2.036 1.00 0.00 C ATOM 1486 O GLN A 95 -6.123 10.335 3.255 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.443 9.657 0.374 1.00 0.00 C ATOM 1488 CG GLN A 95 -3.242 9.739 1.302 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.068 10.465 0.675 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.024 11.695 0.653 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -1.108 9.705 0.162 1.00 0.00 N ATOM 0 H GLN A 95 -6.500 8.950 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.635 8.446 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.262 8.885 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.543 10.601 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.532 10.250 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.934 8.731 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.186 8.689 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.293 10.137 -0.272 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.400 11.662 1.459 1.00 0.00 N ATOM 1501 CA GLN A 96 -6.754 12.838 2.246 1.00 0.00 C ATOM 1502 C GLN A 96 -8.016 12.584 3.064 1.00 0.00 C ATOM 1503 O GLN A 96 -8.059 12.869 4.261 1.00 0.00 O ATOM 1504 CB GLN A 96 -6.959 14.046 1.331 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.433 15.291 2.065 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.613 15.585 3.306 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -5.383 15.542 3.275 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.292 15.885 4.407 1.00 0.00 N ATOM 0 H GLN A 96 -6.396 11.814 0.450 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.934 13.047 2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.021 14.269 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.686 13.789 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.384 16.146 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.479 15.166 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.312 15.909 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.794 16.092 5.273 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.041 12.049 2.411 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.304 11.758 3.079 1.00 0.00 C ATOM 1519 C TRP A 97 -10.066 11.081 4.424 1.00 0.00 C ATOM 1520 O TRP A 97 -10.494 11.580 5.464 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.179 10.868 2.194 1.00 0.00 C ATOM 1522 CG TRP A 97 -12.617 10.841 2.616 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.444 11.916 2.779 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.396 9.682 2.931 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -14.690 11.495 3.176 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -14.687 10.128 3.275 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.130 8.310 2.952 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -15.706 9.251 3.638 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.142 7.441 3.313 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.417 7.914 3.651 1.00 0.00 C ATOM 0 H TRP A 97 -9.022 11.808 1.420 1.00 0.00 H new ATOM 0 HA TRP A 97 -10.819 12.702 3.255 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.117 11.219 1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -10.784 9.852 2.209 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.160 12.946 2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.488 12.101 3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.151 7.936 2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -16.689 9.613 3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -13.947 6.379 3.335 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.187 7.209 3.927 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.380 9.943 4.396 1.00 0.00 N ATOM 1542 CA GLU A 98 -9.086 9.198 5.615 1.00 0.00 C ATOM 1543 C GLU A 98 -8.783 10.146 6.771 1.00 0.00 C ATOM 1544 O GLU A 98 -9.184 9.902 7.909 1.00 0.00 O ATOM 1545 CB GLU A 98 -7.903 8.255 5.390 1.00 0.00 C ATOM 1546 CG GLU A 98 -7.816 7.714 3.973 1.00 0.00 C ATOM 1547 CD GLU A 98 -7.033 6.418 3.890 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -7.216 5.556 4.773 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -6.235 6.268 2.940 1.00 0.00 O ATOM 0 H GLU A 98 -9.017 9.517 3.543 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.966 8.609 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.979 8.783 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.979 7.419 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.823 7.551 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.346 8.460 3.332 1.00 0.00 H new ATOM 1556 N ALA A 99 -8.072 11.228 6.471 1.00 0.00 N ATOM 1557 CA ALA A 99 -7.716 12.213 7.484 1.00 0.00 C ATOM 1558 C ALA A 99 -8.929 12.602 8.322 1.00 0.00 C ATOM 1559 O ALA A 99 -8.903 12.512 9.550 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.106 13.445 6.831 1.00 0.00 C ATOM 0 H ALA A 99 -7.731 11.444 5.534 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.978 11.764 8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.845 14.173 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.209 13.159 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.827 13.887 6.143 1.00 0.00 H new ATOM 1566 N LEU A 100 -9.991 13.036 7.651 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.214 13.440 8.335 1.00 0.00 C ATOM 1568 C LEU A 100 -11.538 12.488 9.482 1.00 0.00 C ATOM 1569 O LEU A 100 -11.548 12.884 10.646 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.382 13.483 7.348 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.191 14.375 6.120 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -13.061 13.892 4.970 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -12.509 15.824 6.459 1.00 0.00 C ATOM 0 H LEU A 100 -10.029 13.117 6.635 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.057 14.436 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.581 12.467 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.271 13.820 7.882 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.148 14.316 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.912 14.538 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.786 12.870 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.109 13.922 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.368 16.444 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.543 15.901 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.844 16.167 7.252 1.00 0.00 H new ATOM 1585 N ASN A 101 -11.799 11.229 9.143 1.00 0.00 N ATOM 1586 CA ASN A 101 -12.121 10.219 10.145 1.00 0.00 C ATOM 1587 C ASN A 101 -11.188 10.329 11.347 1.00 0.00 C ATOM 1588 O ASN A 101 -11.633 10.561 12.472 1.00 0.00 O ATOM 1589 CB ASN A 101 -12.024 8.819 9.537 1.00 0.00 C ATOM 1590 CG ASN A 101 -12.918 7.818 10.244 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -12.953 7.760 11.473 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -13.646 7.025 9.467 1.00 0.00 N ATOM 0 H ASN A 101 -11.794 10.884 8.183 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.143 10.391 10.483 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.297 8.864 8.483 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.990 8.476 9.585 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.267 6.332 9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.585 7.109 8.452 1.00 0.00 H new ATOM 1599 N ASP A 102 -9.893 10.162 11.102 1.00 0.00 N ATOM 1600 CA ASP A 102 -8.897 10.244 12.164 1.00 0.00 C ATOM 1601 C ASP A 102 -8.038 11.495 12.007 1.00 0.00 C ATOM 1602 O ASP A 102 -7.167 11.557 11.139 1.00 0.00 O ATOM 1603 CB ASP A 102 -8.011 8.998 12.158 1.00 0.00 C ATOM 1604 CG ASP A 102 -7.206 8.854 13.435 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -7.811 8.906 14.527 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -5.972 8.688 13.343 1.00 0.00 O ATOM 0 H ASP A 102 -9.508 9.969 10.177 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.422 10.302 13.118 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.634 8.114 12.023 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.332 9.043 11.307 1.00 0.00 H new ATOM 1611 N SER A 103 -8.289 12.489 12.852 1.00 0.00 N ATOM 1612 CA SER A 103 -7.542 13.741 12.804 1.00 0.00 C ATOM 1613 C SER A 103 -6.049 13.489 12.987 1.00 0.00 C ATOM 1614 O SER A 103 -5.584 13.213 14.093 1.00 0.00 O ATOM 1615 CB SER A 103 -8.045 14.701 13.884 1.00 0.00 C ATOM 1616 OG SER A 103 -8.059 14.075 15.156 1.00 0.00 O ATOM 0 H SER A 103 -9.004 12.452 13.579 1.00 0.00 H new ATOM 0 HA SER A 103 -7.699 14.193 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.406 15.584 13.917 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.049 15.043 13.632 1.00 0.00 H new ATOM 0 HG SER A 103 -7.245 13.540 15.266 1.00 0.00 H new ATOM 1622 N VAL A 104 -5.301 13.586 11.892 1.00 0.00 N ATOM 1623 CA VAL A 104 -3.859 13.370 11.929 1.00 0.00 C ATOM 1624 C VAL A 104 -3.104 14.695 11.908 1.00 0.00 C ATOM 1625 O VAL A 104 -2.812 15.239 10.844 1.00 0.00 O ATOM 1626 CB VAL A 104 -3.390 12.506 10.744 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -1.881 12.315 10.786 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -4.106 11.164 10.748 1.00 0.00 C ATOM 0 H VAL A 104 -5.670 13.813 10.968 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.642 12.846 12.860 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.641 13.023 9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.568 11.702 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.390 13.286 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.603 11.820 11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.763 10.566 9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.888 10.638 11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.181 11.325 10.665 1.00 0.00 H new ATOM 1638 N LYS A 105 -2.790 15.209 13.093 1.00 0.00 N ATOM 1639 CA LYS A 105 -2.067 16.470 13.212 1.00 0.00 C ATOM 1640 C LYS A 105 -0.569 16.258 13.023 1.00 0.00 C ATOM 1641 O LYS A 105 0.247 16.833 13.744 1.00 0.00 O ATOM 1642 CB LYS A 105 -2.334 17.107 14.578 1.00 0.00 C ATOM 1643 CG LYS A 105 -1.825 18.533 14.694 1.00 0.00 C ATOM 1644 CD LYS A 105 -2.380 19.225 15.927 1.00 0.00 C ATOM 1645 CE LYS A 105 -3.763 19.802 15.667 1.00 0.00 C ATOM 1646 NZ LYS A 105 -3.702 21.039 14.841 1.00 0.00 N ATOM 0 H LYS A 105 -3.025 14.772 13.984 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.423 17.140 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.407 17.096 14.771 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -1.865 16.499 15.351 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.736 18.529 14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.107 19.094 13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.430 18.515 16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.703 20.023 16.233 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.378 19.058 15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.248 20.024 16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.628 21.512 14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.980 21.680 15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.455 20.791 13.862 1.00 0.00 H new ATOM 1660 N THR A 106 -0.211 15.429 12.047 1.00 0.00 N ATOM 1661 CA THR A 106 1.189 15.141 11.762 1.00 0.00 C ATOM 1662 C THR A 106 1.476 15.232 10.268 1.00 0.00 C ATOM 1663 O THR A 106 0.651 14.840 9.443 1.00 0.00 O ATOM 1664 CB THR A 106 1.589 13.741 12.266 1.00 0.00 C ATOM 1665 OG1 THR A 106 1.293 13.620 13.662 1.00 0.00 O ATOM 1666 CG2 THR A 106 3.070 13.485 12.033 1.00 0.00 C ATOM 0 H THR A 106 -0.873 14.945 11.440 1.00 0.00 H new ATOM 0 HA THR A 106 1.779 15.891 12.289 1.00 0.00 H new ATOM 0 HB THR A 106 1.016 13.001 11.708 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.549 12.727 13.974 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.329 12.491 12.397 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.287 13.549 10.967 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.657 14.231 12.568 1.00 0.00 H new ATOM 1674 N SER A 107 2.651 15.751 9.927 1.00 0.00 N ATOM 1675 CA SER A 107 3.046 15.896 8.530 1.00 0.00 C ATOM 1676 C SER A 107 4.082 14.843 8.147 1.00 0.00 C ATOM 1677 O SER A 107 4.988 14.536 8.920 1.00 0.00 O ATOM 1678 CB SER A 107 3.609 17.296 8.280 1.00 0.00 C ATOM 1679 OG SER A 107 4.884 17.448 8.881 1.00 0.00 O ATOM 0 H SER A 107 3.346 16.078 10.598 1.00 0.00 H new ATOM 0 HA SER A 107 2.161 15.752 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.685 17.474 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.924 18.044 8.679 1.00 0.00 H new ATOM 0 HG SER A 107 5.223 18.351 8.705 1.00 0.00 H new ATOM 1685 N GLY A 108 3.940 14.293 6.944 1.00 0.00 N ATOM 1686 CA GLY A 108 4.869 13.280 6.478 1.00 0.00 C ATOM 1687 C GLY A 108 5.800 13.800 5.400 1.00 0.00 C ATOM 1688 O GLY A 108 5.453 14.694 4.628 1.00 0.00 O ATOM 0 H GLY A 108 3.199 14.531 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.459 12.918 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.309 12.428 6.091 1.00 0.00 H new ATOM 1692 N PRO A 109 7.014 13.234 5.338 1.00 0.00 N ATOM 1693 CA PRO A 109 8.023 13.631 4.352 1.00 0.00 C ATOM 1694 C PRO A 109 7.647 13.209 2.936 1.00 0.00 C ATOM 1695 O PRO A 109 8.042 12.140 2.471 1.00 0.00 O ATOM 1696 CB PRO A 109 9.281 12.892 4.814 1.00 0.00 C ATOM 1697 CG PRO A 109 8.772 11.713 5.570 1.00 0.00 C ATOM 1698 CD PRO A 109 7.496 12.163 6.226 1.00 0.00 C ATOM 0 HA PRO A 109 8.142 14.713 4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.893 12.584 3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.904 13.527 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.592 10.870 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.498 11.383 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.775 11.349 6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.672 12.529 7.238 1.00 0.00 H new ATOM 1706 N SER A 110 6.882 14.057 2.254 1.00 0.00 N ATOM 1707 CA SER A 110 6.450 13.769 0.892 1.00 0.00 C ATOM 1708 C SER A 110 7.178 14.662 -0.109 1.00 0.00 C ATOM 1709 O SER A 110 7.298 15.870 0.093 1.00 0.00 O ATOM 1710 CB SER A 110 4.938 13.966 0.761 1.00 0.00 C ATOM 1711 OG SER A 110 4.437 13.313 -0.392 1.00 0.00 O ATOM 0 H SER A 110 6.549 14.948 2.623 1.00 0.00 H new ATOM 0 HA SER A 110 6.695 12.730 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.439 13.577 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.710 15.031 0.708 1.00 0.00 H new ATOM 0 HG SER A 110 3.469 13.452 -0.452 1.00 0.00 H new ATOM 1717 N SER A 111 7.663 14.057 -1.188 1.00 0.00 N ATOM 1718 CA SER A 111 8.384 14.795 -2.219 1.00 0.00 C ATOM 1719 C SER A 111 7.756 14.565 -3.591 1.00 0.00 C ATOM 1720 O SER A 111 7.302 13.465 -3.901 1.00 0.00 O ATOM 1721 CB SER A 111 9.855 14.375 -2.243 1.00 0.00 C ATOM 1722 OG SER A 111 10.584 15.016 -1.210 1.00 0.00 O ATOM 0 H SER A 111 7.570 13.058 -1.371 1.00 0.00 H new ATOM 0 HA SER A 111 8.320 15.857 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.930 13.294 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.292 14.624 -3.210 1.00 0.00 H new ATOM 0 HG SER A 111 11.521 14.730 -1.245 1.00 0.00 H new ATOM 1728 N GLY A 112 7.735 15.614 -4.408 1.00 0.00 N ATOM 1729 CA GLY A 112 7.161 15.507 -5.737 1.00 0.00 C ATOM 1730 C GLY A 112 6.170 16.616 -6.031 1.00 0.00 C ATOM 1731 O GLY A 112 5.795 16.832 -7.183 1.00 0.00 O ATOM 0 H GLY A 112 8.105 16.535 -4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.960 15.532 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.663 14.543 -5.838 1.00 0.00 H new TER 1735 GLY A 112