USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 1.09 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 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00355) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -7.92! C(o=-7.9!,f=-7.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 47 ASN : amide:sc= 0.0941 X(o=0.094,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -142:sc= 1.26 (180deg=-0.826) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= 0.433 (180deg=-1.87) USER MOD Single : A 66 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0083 USER MOD Single : A 79 ASN : amide:sc= 0.361 K(o=0.36,f=-3.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 94 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.099) USER MOD Single : A 96 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 67:sc= 0.421 USER MOD Single : A 106 HIS :FLIP no HE2:sc= -0.405 F(o=-1.9,f=-0.41) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 113 SER OG : rot 16:sc= 0.732 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.318 23.039 -16.550 1.00 0.00 N ATOM 2 CA GLY A 1 16.204 23.855 -16.103 1.00 0.00 C ATOM 3 C GLY A 1 15.449 24.487 -17.256 1.00 0.00 C ATOM 4 O GLY A 1 15.349 25.711 -17.345 1.00 0.00 O ATOM 0 H1 GLY A 1 17.801 22.630 -15.725 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.965 22.274 -17.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.987 23.628 -17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.520 23.241 -15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.574 24.639 -15.442 1.00 0.00 H new ATOM 8 N SER A 2 14.917 23.651 -18.142 1.00 0.00 N ATOM 9 CA SER A 2 14.172 24.136 -19.298 1.00 0.00 C ATOM 10 C SER A 2 12.763 24.562 -18.897 1.00 0.00 C ATOM 11 O SER A 2 12.035 23.808 -18.252 1.00 0.00 O ATOM 12 CB SER A 2 14.102 23.053 -20.376 1.00 0.00 C ATOM 13 OG SER A 2 13.826 23.615 -21.647 1.00 0.00 O ATOM 0 H SER A 2 14.988 22.635 -18.082 1.00 0.00 H new ATOM 0 HA SER A 2 14.695 25.005 -19.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.047 22.510 -20.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.328 22.329 -20.119 1.00 0.00 H new ATOM 0 HG SER A 2 13.788 22.902 -22.319 1.00 0.00 H new ATOM 19 N SER A 3 12.386 25.776 -19.283 1.00 0.00 N ATOM 20 CA SER A 3 11.066 26.306 -18.961 1.00 0.00 C ATOM 21 C SER A 3 9.993 25.653 -19.828 1.00 0.00 C ATOM 22 O SER A 3 9.951 25.855 -21.041 1.00 0.00 O ATOM 23 CB SER A 3 11.041 27.823 -19.155 1.00 0.00 C ATOM 24 OG SER A 3 11.036 28.162 -20.531 1.00 0.00 O ATOM 0 H SER A 3 12.976 26.412 -19.820 1.00 0.00 H new ATOM 0 HA SER A 3 10.854 26.077 -17.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.158 28.240 -18.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.910 28.269 -18.671 1.00 0.00 H new ATOM 0 HG SER A 3 10.913 27.351 -21.067 1.00 0.00 H new ATOM 30 N GLY A 4 9.126 24.869 -19.194 1.00 0.00 N ATOM 31 CA GLY A 4 8.064 24.199 -19.921 1.00 0.00 C ATOM 32 C GLY A 4 7.581 22.946 -19.217 1.00 0.00 C ATOM 33 O GLY A 4 7.646 22.850 -17.992 1.00 0.00 O ATOM 0 H GLY A 4 9.140 24.686 -18.191 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.227 24.885 -20.050 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.419 23.938 -20.918 1.00 0.00 H new ATOM 37 N SER A 5 7.094 21.983 -19.994 1.00 0.00 N ATOM 38 CA SER A 5 6.593 20.732 -19.437 1.00 0.00 C ATOM 39 C SER A 5 7.744 19.840 -18.982 1.00 0.00 C ATOM 40 O SER A 5 8.293 19.068 -19.768 1.00 0.00 O ATOM 41 CB SER A 5 5.739 19.995 -20.470 1.00 0.00 C ATOM 42 OG SER A 5 4.717 20.835 -20.979 1.00 0.00 O ATOM 0 H SER A 5 7.036 22.045 -21.010 1.00 0.00 H new ATOM 0 HA SER A 5 5.977 20.970 -18.570 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.370 19.649 -21.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.294 19.111 -20.014 1.00 0.00 H new ATOM 0 HG SER A 5 4.186 20.341 -21.639 1.00 0.00 H new ATOM 48 N SER A 6 8.105 19.953 -17.708 1.00 0.00 N ATOM 49 CA SER A 6 9.193 19.160 -17.148 1.00 0.00 C ATOM 50 C SER A 6 8.862 17.672 -17.198 1.00 0.00 C ATOM 51 O SER A 6 8.145 17.154 -16.343 1.00 0.00 O ATOM 52 CB SER A 6 9.471 19.584 -15.704 1.00 0.00 C ATOM 53 OG SER A 6 9.791 20.963 -15.630 1.00 0.00 O ATOM 0 H SER A 6 7.660 20.586 -17.044 1.00 0.00 H new ATOM 0 HA SER A 6 10.085 19.337 -17.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.597 19.377 -15.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.294 18.994 -15.301 1.00 0.00 H new ATOM 0 HG SER A 6 9.963 21.209 -14.697 1.00 0.00 H new ATOM 59 N GLY A 7 9.392 16.988 -18.208 1.00 0.00 N ATOM 60 CA GLY A 7 9.142 15.566 -18.353 1.00 0.00 C ATOM 61 C GLY A 7 10.394 14.734 -18.156 1.00 0.00 C ATOM 62 O GLY A 7 10.999 14.755 -17.085 1.00 0.00 O ATOM 0 H GLY A 7 9.990 17.394 -18.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.387 15.257 -17.630 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.732 15.371 -19.344 1.00 0.00 H new ATOM 66 N MET A 8 10.783 13.999 -19.193 1.00 0.00 N ATOM 67 CA MET A 8 11.972 13.156 -19.128 1.00 0.00 C ATOM 68 C MET A 8 12.020 12.385 -17.813 1.00 0.00 C ATOM 69 O MET A 8 13.097 12.090 -17.296 1.00 0.00 O ATOM 70 CB MET A 8 13.235 14.006 -19.281 1.00 0.00 C ATOM 71 CG MET A 8 14.391 13.265 -19.932 1.00 0.00 C ATOM 72 SD MET A 8 14.127 12.972 -21.691 1.00 0.00 S ATOM 73 CE MET A 8 15.809 12.704 -22.246 1.00 0.00 C ATOM 0 H MET A 8 10.293 13.970 -20.087 1.00 0.00 H new ATOM 0 HA MET A 8 11.924 12.439 -19.948 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.999 14.889 -19.875 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.547 14.358 -18.298 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.307 13.839 -19.797 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.536 12.310 -19.427 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.812 12.509 -23.318 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.407 13.591 -22.037 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.233 11.848 -21.721 1.00 0.00 H new ATOM 83 N ALA A 9 10.847 12.061 -17.279 1.00 0.00 N ATOM 84 CA ALA A 9 10.757 11.322 -16.026 1.00 0.00 C ATOM 85 C ALA A 9 11.053 9.841 -16.239 1.00 0.00 C ATOM 86 O ALA A 9 10.464 9.199 -17.107 1.00 0.00 O ATOM 87 CB ALA A 9 9.379 11.502 -15.405 1.00 0.00 C ATOM 0 H ALA A 9 9.946 12.299 -17.694 1.00 0.00 H new ATOM 0 HA ALA A 9 11.507 11.721 -15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.326 10.945 -14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.204 12.560 -15.208 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.619 11.131 -16.092 1.00 0.00 H new ATOM 93 N ALA A 10 11.971 9.306 -15.440 1.00 0.00 N ATOM 94 CA ALA A 10 12.345 7.900 -15.541 1.00 0.00 C ATOM 95 C ALA A 10 11.588 7.057 -14.520 1.00 0.00 C ATOM 96 O ALA A 10 11.112 7.554 -13.499 1.00 0.00 O ATOM 97 CB ALA A 10 13.846 7.739 -15.354 1.00 0.00 C ATOM 0 H ALA A 10 12.469 9.824 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 10 12.075 7.547 -16.536 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.111 6.685 -15.432 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.371 8.303 -16.125 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.132 8.114 -14.371 1.00 0.00 H new ATOM 103 N PRO A 11 11.474 5.750 -14.800 1.00 0.00 N ATOM 104 CA PRO A 11 10.776 4.810 -13.917 1.00 0.00 C ATOM 105 C PRO A 11 11.533 4.565 -12.616 1.00 0.00 C ATOM 106 O PRO A 11 12.756 4.422 -12.615 1.00 0.00 O ATOM 107 CB PRO A 11 10.711 3.526 -14.748 1.00 0.00 C ATOM 108 CG PRO A 11 11.859 3.626 -15.691 1.00 0.00 C ATOM 109 CD PRO A 11 12.016 5.089 -15.998 1.00 0.00 C ATOM 0 HA PRO A 11 9.800 5.186 -13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.793 2.641 -14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.765 3.449 -15.283 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.767 3.221 -15.244 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.669 3.055 -16.600 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.060 5.354 -16.166 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.467 5.372 -16.896 1.00 0.00 H new ATOM 117 N LEU A 12 10.799 4.519 -11.510 1.00 0.00 N ATOM 118 CA LEU A 12 11.401 4.290 -10.201 1.00 0.00 C ATOM 119 C LEU A 12 11.232 2.837 -9.770 1.00 0.00 C ATOM 120 O LEU A 12 10.220 2.203 -10.072 1.00 0.00 O ATOM 121 CB LEU A 12 10.774 5.219 -9.160 1.00 0.00 C ATOM 122 CG LEU A 12 10.614 6.682 -9.576 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.723 7.423 -8.590 1.00 0.00 C ATOM 124 CD2 LEU A 12 11.974 7.358 -9.680 1.00 0.00 C ATOM 0 H LEU A 12 9.786 4.637 -11.493 1.00 0.00 H new ATOM 0 HA LEU A 12 12.467 4.505 -10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.791 4.827 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.383 5.183 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 12 10.139 6.711 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.621 8.462 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.740 6.953 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.170 7.385 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.841 8.398 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.475 7.318 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.581 6.843 -10.425 1.00 0.00 H new ATOM 136 N CYS A 13 12.228 2.316 -9.062 1.00 0.00 N ATOM 137 CA CYS A 13 12.189 0.937 -8.587 1.00 0.00 C ATOM 138 C CYS A 13 12.131 0.888 -7.064 1.00 0.00 C ATOM 139 O CYS A 13 13.103 1.218 -6.384 1.00 0.00 O ATOM 140 CB CYS A 13 13.413 0.169 -9.089 1.00 0.00 C ATOM 141 SG CYS A 13 13.397 -0.166 -10.865 1.00 0.00 S ATOM 0 H CYS A 13 13.072 2.827 -8.804 1.00 0.00 H new ATOM 0 HA CYS A 13 11.288 0.467 -8.981 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.310 0.738 -8.846 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.480 -0.777 -8.552 1.00 0.00 H new ATOM 0 HG CYS A 13 14.473 -0.817 -11.194 1.00 0.00 H new ATOM 147 N VAL A 14 10.984 0.475 -6.534 1.00 0.00 N ATOM 148 CA VAL A 14 10.799 0.383 -5.090 1.00 0.00 C ATOM 149 C VAL A 14 10.569 -1.060 -4.657 1.00 0.00 C ATOM 150 O VAL A 14 9.998 -1.860 -5.398 1.00 0.00 O ATOM 151 CB VAL A 14 9.611 1.244 -4.621 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.802 2.693 -5.041 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.304 0.690 -5.168 1.00 0.00 C ATOM 0 H VAL A 14 10.169 0.199 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 14 11.713 0.756 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 14 9.567 1.210 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.953 3.285 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.718 3.083 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.873 2.751 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.475 1.310 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.335 0.693 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.164 -0.331 -4.812 1.00 0.00 H new ATOM 163 N LYS A 15 11.018 -1.388 -3.450 1.00 0.00 N ATOM 164 CA LYS A 15 10.861 -2.735 -2.914 1.00 0.00 C ATOM 165 C LYS A 15 9.710 -2.793 -1.915 1.00 0.00 C ATOM 166 O LYS A 15 9.732 -2.115 -0.888 1.00 0.00 O ATOM 167 CB LYS A 15 12.157 -3.194 -2.242 1.00 0.00 C ATOM 168 CG LYS A 15 13.221 -3.654 -3.224 1.00 0.00 C ATOM 169 CD LYS A 15 14.550 -3.901 -2.530 1.00 0.00 C ATOM 170 CE LYS A 15 15.291 -2.600 -2.265 1.00 0.00 C ATOM 171 NZ LYS A 15 15.950 -2.077 -3.494 1.00 0.00 N ATOM 0 H LYS A 15 11.494 -0.739 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 15 10.633 -3.404 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.556 -2.375 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.931 -4.010 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.891 -4.568 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.350 -2.901 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.378 -4.421 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.168 -4.554 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.593 -1.856 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.041 -2.761 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.473 -1.208 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.610 -2.790 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.228 -1.867 -4.213 1.00 0.00 H new ATOM 185 N VAL A 16 8.705 -3.607 -2.223 1.00 0.00 N ATOM 186 CA VAL A 16 7.546 -3.754 -1.350 1.00 0.00 C ATOM 187 C VAL A 16 7.653 -5.018 -0.504 1.00 0.00 C ATOM 188 O VAL A 16 7.976 -6.091 -1.012 1.00 0.00 O ATOM 189 CB VAL A 16 6.236 -3.801 -2.160 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.044 -3.992 -1.235 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.079 -2.537 -2.992 1.00 0.00 C ATOM 0 H VAL A 16 8.670 -4.174 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 16 7.529 -2.882 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 16 6.279 -4.652 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.127 -4.023 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.155 -4.928 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.994 -3.162 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.149 -2.587 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.057 -1.668 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.919 -2.449 -3.682 1.00 0.00 H new ATOM 201 N GLU A 17 7.379 -4.882 0.790 1.00 0.00 N ATOM 202 CA GLU A 17 7.445 -6.013 1.707 1.00 0.00 C ATOM 203 C GLU A 17 6.178 -6.102 2.554 1.00 0.00 C ATOM 204 O GLU A 17 5.805 -5.147 3.235 1.00 0.00 O ATOM 205 CB GLU A 17 8.670 -5.892 2.615 1.00 0.00 C ATOM 206 CG GLU A 17 9.117 -7.215 3.215 1.00 0.00 C ATOM 207 CD GLU A 17 9.774 -7.048 4.571 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.074 -6.643 5.523 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.987 -7.321 4.681 1.00 0.00 O ATOM 0 H GLU A 17 7.109 -4.000 1.226 1.00 0.00 H new ATOM 0 HA GLU A 17 7.530 -6.923 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.494 -5.465 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.446 -5.194 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.255 -7.875 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.816 -7.701 2.534 1.00 0.00 H new ATOM 216 N PHE A 18 5.520 -7.256 2.504 1.00 0.00 N ATOM 217 CA PHE A 18 4.295 -7.470 3.265 1.00 0.00 C ATOM 218 C PHE A 18 4.519 -8.482 4.385 1.00 0.00 C ATOM 219 O PHE A 18 5.095 -9.547 4.168 1.00 0.00 O ATOM 220 CB PHE A 18 3.175 -7.954 2.342 1.00 0.00 C ATOM 221 CG PHE A 18 2.811 -6.966 1.271 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.875 -5.974 1.514 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.405 -7.029 0.021 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.538 -5.064 0.530 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.073 -6.121 -0.967 1.00 0.00 C ATOM 226 CZ PHE A 18 2.138 -5.137 -0.711 1.00 0.00 C ATOM 0 H PHE A 18 5.815 -8.057 1.945 1.00 0.00 H new ATOM 0 HA PHE A 18 4.004 -6.519 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.480 -8.890 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.290 -8.171 2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.403 -5.911 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.136 -7.797 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.806 -4.296 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.544 -6.181 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.877 -4.426 -1.481 1.00 0.00 H new ATOM 236 N GLY A 19 4.060 -8.139 5.585 1.00 0.00 N ATOM 237 CA GLY A 19 4.221 -9.027 6.722 1.00 0.00 C ATOM 238 C GLY A 19 2.894 -9.439 7.327 1.00 0.00 C ATOM 239 O GLY A 19 1.983 -8.623 7.459 1.00 0.00 O ATOM 0 H GLY A 19 3.580 -7.263 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.767 -9.917 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.826 -8.533 7.482 1.00 0.00 H new ATOM 243 N GLY A 20 2.783 -10.712 7.695 1.00 0.00 N ATOM 244 CA GLY A 20 1.553 -11.210 8.283 1.00 0.00 C ATOM 245 C GLY A 20 0.804 -12.146 7.355 1.00 0.00 C ATOM 246 O GLY A 20 1.116 -13.333 7.275 1.00 0.00 O ATOM 0 H GLY A 20 3.523 -11.407 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.783 -11.732 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.910 -10.368 8.541 1.00 0.00 H new ATOM 250 N GLY A 21 -0.189 -11.610 6.652 1.00 0.00 N ATOM 251 CA GLY A 21 -0.971 -12.420 5.736 1.00 0.00 C ATOM 252 C GLY A 21 -1.143 -11.761 4.382 1.00 0.00 C ATOM 253 O GLY A 21 -1.357 -12.438 3.377 1.00 0.00 O ATOM 0 H GLY A 21 -0.466 -10.629 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.486 -13.388 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.952 -12.611 6.171 1.00 0.00 H new ATOM 257 N ALA A 22 -1.052 -10.435 4.355 1.00 0.00 N ATOM 258 CA ALA A 22 -1.199 -9.685 3.114 1.00 0.00 C ATOM 259 C ALA A 22 -0.328 -10.274 2.010 1.00 0.00 C ATOM 260 O ALA A 22 -0.719 -10.295 0.843 1.00 0.00 O ATOM 261 CB ALA A 22 -0.851 -8.221 3.339 1.00 0.00 C ATOM 0 H ALA A 22 -0.877 -9.859 5.178 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.239 -9.756 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.965 -7.672 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.518 -7.800 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.180 -8.141 3.683 1.00 0.00 H new ATOM 267 N GLU A 23 0.855 -10.751 2.386 1.00 0.00 N ATOM 268 CA GLU A 23 1.781 -11.339 1.425 1.00 0.00 C ATOM 269 C GLU A 23 1.058 -12.309 0.495 1.00 0.00 C ATOM 270 O GLU A 23 1.434 -12.471 -0.666 1.00 0.00 O ATOM 271 CB GLU A 23 2.915 -12.063 2.154 1.00 0.00 C ATOM 272 CG GLU A 23 2.463 -13.313 2.892 1.00 0.00 C ATOM 273 CD GLU A 23 2.034 -13.025 4.317 1.00 0.00 C ATOM 274 OE1 GLU A 23 1.896 -11.835 4.668 1.00 0.00 O ATOM 275 OE2 GLU A 23 1.834 -13.992 5.082 1.00 0.00 O ATOM 0 H GLU A 23 1.194 -10.742 3.348 1.00 0.00 H new ATOM 0 HA GLU A 23 2.201 -10.533 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.684 -12.336 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.375 -11.377 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.634 -13.769 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.276 -14.039 2.901 1.00 0.00 H new ATOM 282 N LEU A 24 0.018 -12.952 1.015 1.00 0.00 N ATOM 283 CA LEU A 24 -0.759 -13.907 0.232 1.00 0.00 C ATOM 284 C LEU A 24 -1.487 -13.209 -0.913 1.00 0.00 C ATOM 285 O LEU A 24 -1.627 -13.765 -2.003 1.00 0.00 O ATOM 286 CB LEU A 24 -1.768 -14.629 1.128 1.00 0.00 C ATOM 287 CG LEU A 24 -1.179 -15.572 2.177 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.200 -15.861 3.267 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.708 -16.865 1.528 1.00 0.00 C ATOM 0 H LEU A 24 -0.306 -12.830 1.974 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.070 -14.637 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.371 -13.879 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.444 -15.201 0.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.318 -15.084 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.764 -16.534 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.488 -14.928 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.081 -16.328 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.292 -17.524 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.551 -17.357 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.057 -16.641 0.785 1.00 0.00 H new ATOM 301 N LEU A 25 -1.945 -11.988 -0.659 1.00 0.00 N ATOM 302 CA LEU A 25 -2.656 -11.213 -1.669 1.00 0.00 C ATOM 303 C LEU A 25 -1.739 -10.873 -2.840 1.00 0.00 C ATOM 304 O LEU A 25 -2.185 -10.344 -3.858 1.00 0.00 O ATOM 305 CB LEU A 25 -3.214 -9.928 -1.054 1.00 0.00 C ATOM 306 CG LEU A 25 -4.533 -10.066 -0.292 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.741 -8.879 0.635 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.698 -10.198 -1.262 1.00 0.00 C ATOM 0 H LEU A 25 -1.837 -11.514 0.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.482 -11.819 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.466 -9.520 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.353 -9.198 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.487 -10.970 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.684 -8.995 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.922 -8.830 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.766 -7.960 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.628 -10.295 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.746 -9.312 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.555 -11.081 -1.884 1.00 0.00 H new ATOM 320 N PHE A 26 -0.456 -11.182 -2.689 1.00 0.00 N ATOM 321 CA PHE A 26 0.524 -10.911 -3.734 1.00 0.00 C ATOM 322 C PHE A 26 1.369 -12.149 -4.021 1.00 0.00 C ATOM 323 O PHE A 26 2.475 -12.294 -3.500 1.00 0.00 O ATOM 324 CB PHE A 26 1.428 -9.746 -3.325 1.00 0.00 C ATOM 325 CG PHE A 26 0.674 -8.553 -2.814 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.227 -8.509 -1.503 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.411 -7.475 -3.644 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.468 -7.412 -1.029 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.283 -6.375 -3.175 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.724 -6.344 -1.867 1.00 0.00 C ATOM 0 H PHE A 26 -0.070 -11.620 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.015 -10.642 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.119 -10.086 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.030 -9.445 -4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.424 -9.342 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.752 -7.494 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.810 -7.390 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.480 -5.540 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.268 -5.486 -1.500 1.00 0.00 H new ATOM 340 N ASP A 27 0.840 -13.039 -4.854 1.00 0.00 N ATOM 341 CA ASP A 27 1.545 -14.264 -5.212 1.00 0.00 C ATOM 342 C ASP A 27 2.248 -14.861 -3.997 1.00 0.00 C ATOM 343 O ASP A 27 3.291 -15.501 -4.124 1.00 0.00 O ATOM 344 CB ASP A 27 2.561 -13.988 -6.321 1.00 0.00 C ATOM 345 CG ASP A 27 2.784 -15.192 -7.215 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.847 -16.320 -6.685 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.896 -15.005 -8.445 1.00 0.00 O ATOM 0 H ASP A 27 -0.074 -12.935 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 27 0.811 -14.984 -5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.216 -13.149 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.510 -13.690 -5.875 1.00 0.00 H new ATOM 352 N GLY A 28 1.670 -14.646 -2.819 1.00 0.00 N ATOM 353 CA GLY A 28 2.257 -15.168 -1.599 1.00 0.00 C ATOM 354 C GLY A 28 3.767 -15.038 -1.579 1.00 0.00 C ATOM 355 O GLY A 28 4.484 -16.025 -1.747 1.00 0.00 O ATOM 0 H GLY A 28 0.806 -14.120 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.839 -14.638 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.985 -16.218 -1.489 1.00 0.00 H new ATOM 359 N VAL A 29 4.252 -13.817 -1.376 1.00 0.00 N ATOM 360 CA VAL A 29 5.687 -13.562 -1.336 1.00 0.00 C ATOM 361 C VAL A 29 6.030 -12.518 -0.279 1.00 0.00 C ATOM 362 O VAL A 29 5.250 -11.601 -0.019 1.00 0.00 O ATOM 363 CB VAL A 29 6.210 -13.083 -2.703 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.699 -12.780 -2.629 1.00 0.00 C ATOM 365 CG2 VAL A 29 5.921 -14.121 -3.777 1.00 0.00 C ATOM 0 H VAL A 29 3.672 -12.989 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 29 6.169 -14.506 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 29 5.690 -12.163 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.051 -12.443 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.875 -11.998 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.240 -13.681 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.297 -13.766 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.413 -15.059 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.845 -14.283 -3.847 1.00 0.00 H new ATOM 375 N LYS A 30 7.202 -12.663 0.329 1.00 0.00 N ATOM 376 CA LYS A 30 7.651 -11.732 1.358 1.00 0.00 C ATOM 377 C LYS A 30 8.062 -10.398 0.743 1.00 0.00 C ATOM 378 O LYS A 30 7.568 -9.342 1.138 1.00 0.00 O ATOM 379 CB LYS A 30 8.825 -12.329 2.138 1.00 0.00 C ATOM 380 CG LYS A 30 8.437 -13.509 3.012 1.00 0.00 C ATOM 381 CD LYS A 30 9.656 -14.301 3.453 1.00 0.00 C ATOM 382 CE LYS A 30 9.345 -15.180 4.655 1.00 0.00 C ATOM 383 NZ LYS A 30 8.701 -16.461 4.254 1.00 0.00 N ATOM 0 H LYS A 30 7.859 -13.417 0.127 1.00 0.00 H new ATOM 0 HA LYS A 30 6.820 -11.557 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.594 -12.646 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.266 -11.553 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.898 -13.151 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.757 -14.161 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.006 -14.922 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.466 -13.615 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.266 -15.391 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.688 -14.642 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.505 -17.031 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.809 -16.261 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.338 -16.987 3.622 1.00 0.00 H new ATOM 397 N LYS A 31 8.968 -10.453 -0.228 1.00 0.00 N ATOM 398 CA LYS A 31 9.444 -9.250 -0.900 1.00 0.00 C ATOM 399 C LYS A 31 9.010 -9.237 -2.362 1.00 0.00 C ATOM 400 O LYS A 31 9.092 -10.253 -3.054 1.00 0.00 O ATOM 401 CB LYS A 31 10.969 -9.159 -0.808 1.00 0.00 C ATOM 402 CG LYS A 31 11.503 -9.308 0.606 1.00 0.00 C ATOM 403 CD LYS A 31 11.796 -10.761 0.941 1.00 0.00 C ATOM 404 CE LYS A 31 13.057 -11.250 0.245 1.00 0.00 C ATOM 405 NZ LYS A 31 14.288 -10.835 0.972 1.00 0.00 N ATOM 0 H LYS A 31 9.387 -11.319 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 31 9.004 -8.386 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.409 -9.933 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.292 -8.199 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.413 -8.718 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.776 -8.910 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.908 -10.871 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.951 -11.382 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.030 -12.337 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.086 -10.858 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.125 -11.188 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.327 -9.797 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.273 -11.230 1.934 1.00 0.00 H new ATOM 419 N HIS A 32 8.550 -8.080 -2.828 1.00 0.00 N ATOM 420 CA HIS A 32 8.106 -7.934 -4.210 1.00 0.00 C ATOM 421 C HIS A 32 8.761 -6.723 -4.866 1.00 0.00 C ATOM 422 O HIS A 32 8.641 -5.600 -4.376 1.00 0.00 O ATOM 423 CB HIS A 32 6.584 -7.799 -4.267 1.00 0.00 C ATOM 424 CG HIS A 32 5.871 -8.614 -3.232 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.032 -9.663 -3.546 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.878 -8.531 -1.881 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.552 -10.188 -2.433 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.050 -9.520 -1.408 1.00 0.00 N ATOM 0 H HIS A 32 8.475 -7.230 -2.269 1.00 0.00 H new ATOM 0 HA HIS A 32 8.405 -8.828 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.316 -6.750 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.238 -8.099 -5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.431 -7.820 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.868 -11.022 -2.371 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.852 -9.708 -0.425 1.00 0.00 H new ATOM 437 N GLN A 33 9.453 -6.959 -5.976 1.00 0.00 N ATOM 438 CA GLN A 33 10.127 -5.887 -6.698 1.00 0.00 C ATOM 439 C GLN A 33 9.126 -5.046 -7.484 1.00 0.00 C ATOM 440 O GLN A 33 8.308 -5.578 -8.235 1.00 0.00 O ATOM 441 CB GLN A 33 11.181 -6.465 -7.645 1.00 0.00 C ATOM 442 CG GLN A 33 11.891 -5.412 -8.481 1.00 0.00 C ATOM 443 CD GLN A 33 13.054 -4.772 -7.748 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.171 -5.289 -7.763 1.00 0.00 O ATOM 445 NE2 GLN A 33 12.797 -3.640 -7.103 1.00 0.00 N ATOM 0 H GLN A 33 9.561 -7.883 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 33 10.619 -5.244 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.921 -7.013 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.704 -7.184 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.254 -5.869 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.178 -4.639 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.856 -3.247 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.541 -3.163 -6.593 1.00 0.00 H new ATOM 454 N VAL A 34 9.197 -3.731 -7.306 1.00 0.00 N ATOM 455 CA VAL A 34 8.298 -2.816 -8.000 1.00 0.00 C ATOM 456 C VAL A 34 9.077 -1.812 -8.841 1.00 0.00 C ATOM 457 O VAL A 34 10.107 -1.294 -8.411 1.00 0.00 O ATOM 458 CB VAL A 34 7.400 -2.053 -7.008 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.375 -1.212 -7.754 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.716 -3.020 -6.055 1.00 0.00 C ATOM 0 H VAL A 34 9.868 -3.275 -6.687 1.00 0.00 H new ATOM 0 HA VAL A 34 7.671 -3.422 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 34 8.027 -1.382 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.750 -0.680 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.889 -0.492 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.751 -1.860 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.086 -2.463 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.101 -3.718 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.470 -3.574 -5.495 1.00 0.00 H new ATOM 470 N ALA A 35 8.578 -1.540 -10.042 1.00 0.00 N ATOM 471 CA ALA A 35 9.225 -0.595 -10.943 1.00 0.00 C ATOM 472 C ALA A 35 8.214 0.381 -11.535 1.00 0.00 C ATOM 473 O ALA A 35 7.645 0.133 -12.599 1.00 0.00 O ATOM 474 CB ALA A 35 9.955 -1.339 -12.052 1.00 0.00 C ATOM 0 H ALA A 35 7.727 -1.961 -10.414 1.00 0.00 H new ATOM 0 HA ALA A 35 9.950 -0.020 -10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.434 -0.621 -12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.712 -1.990 -11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.242 -1.939 -12.618 1.00 0.00 H new ATOM 480 N LEU A 36 7.994 1.491 -10.839 1.00 0.00 N ATOM 481 CA LEU A 36 7.050 2.505 -11.295 1.00 0.00 C ATOM 482 C LEU A 36 7.572 3.215 -12.540 1.00 0.00 C ATOM 483 O LEU A 36 8.773 3.429 -12.704 1.00 0.00 O ATOM 484 CB LEU A 36 6.789 3.524 -10.184 1.00 0.00 C ATOM 485 CG LEU A 36 6.536 2.949 -8.791 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.741 4.016 -7.727 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.133 2.366 -8.701 1.00 0.00 C ATOM 0 H LEU A 36 8.456 1.712 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 36 6.115 2.007 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.645 4.197 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.927 4.128 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 36 7.253 2.147 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.556 3.588 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.765 4.386 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.049 4.840 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.971 1.961 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.400 3.148 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.022 1.570 -9.438 1.00 0.00 H new ATOM 499 N PRO A 37 6.650 3.591 -13.438 1.00 0.00 N ATOM 500 CA PRO A 37 6.994 4.285 -14.683 1.00 0.00 C ATOM 501 C PRO A 37 7.478 5.710 -14.437 1.00 0.00 C ATOM 502 O PRO A 37 7.715 6.108 -13.297 1.00 0.00 O ATOM 503 CB PRO A 37 5.674 4.295 -15.459 1.00 0.00 C ATOM 504 CG PRO A 37 4.618 4.206 -14.412 1.00 0.00 C ATOM 505 CD PRO A 37 5.200 3.369 -13.307 1.00 0.00 C ATOM 0 HA PRO A 37 7.811 3.794 -15.211 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.569 5.205 -16.050 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.616 3.456 -16.152 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.344 5.197 -14.049 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.711 3.751 -14.810 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.832 3.682 -12.330 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.943 2.316 -13.422 1.00 0.00 H new ATOM 513 N GLY A 38 7.623 6.475 -15.515 1.00 0.00 N ATOM 514 CA GLY A 38 8.078 7.848 -15.394 1.00 0.00 C ATOM 515 C GLY A 38 7.128 8.833 -16.045 1.00 0.00 C ATOM 516 O GLY A 38 6.724 8.649 -17.193 1.00 0.00 O ATOM 0 H GLY A 38 7.434 6.169 -16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.190 8.099 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.063 7.943 -15.850 1.00 0.00 H new ATOM 520 N GLN A 39 6.769 9.881 -15.309 1.00 0.00 N ATOM 521 CA GLN A 39 5.858 10.897 -15.822 1.00 0.00 C ATOM 522 C GLN A 39 6.210 12.273 -15.267 1.00 0.00 C ATOM 523 O GLN A 39 7.033 12.395 -14.360 1.00 0.00 O ATOM 524 CB GLN A 39 4.413 10.544 -15.464 1.00 0.00 C ATOM 525 CG GLN A 39 4.282 9.761 -14.168 1.00 0.00 C ATOM 526 CD GLN A 39 2.888 9.838 -13.578 1.00 0.00 C ATOM 527 OE1 GLN A 39 1.911 10.067 -14.292 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.787 9.648 -12.267 1.00 0.00 N ATOM 0 H GLN A 39 7.095 10.048 -14.357 1.00 0.00 H new ATOM 0 HA GLN A 39 5.959 10.926 -16.907 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.832 11.463 -15.384 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.978 9.962 -16.276 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.538 8.717 -14.351 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.001 10.143 -13.443 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.623 9.461 -11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.874 9.689 -11.815 1.00 0.00 H new ATOM 537 N GLU A 40 5.582 13.307 -15.820 1.00 0.00 N ATOM 538 CA GLU A 40 5.831 14.675 -15.380 1.00 0.00 C ATOM 539 C GLU A 40 5.792 14.773 -13.858 1.00 0.00 C ATOM 540 O GLU A 40 6.598 15.477 -13.250 1.00 0.00 O ATOM 541 CB GLU A 40 4.800 15.626 -15.990 1.00 0.00 C ATOM 542 CG GLU A 40 5.333 17.028 -16.233 1.00 0.00 C ATOM 543 CD GLU A 40 4.258 18.090 -16.111 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.207 17.950 -16.771 1.00 0.00 O ATOM 545 OE2 GLU A 40 4.469 19.062 -15.355 1.00 0.00 O ATOM 0 H GLU A 40 4.898 13.223 -16.572 1.00 0.00 H new ATOM 0 HA GLU A 40 6.826 14.963 -15.720 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.450 15.211 -16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.936 15.685 -15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.129 17.239 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.776 17.077 -17.228 1.00 0.00 H new ATOM 552 N GLU A 41 4.848 14.062 -13.249 1.00 0.00 N ATOM 553 CA GLU A 41 4.703 14.070 -11.798 1.00 0.00 C ATOM 554 C GLU A 41 5.270 12.792 -11.187 1.00 0.00 C ATOM 555 O GLU A 41 5.130 11.697 -11.733 1.00 0.00 O ATOM 556 CB GLU A 41 3.230 14.223 -11.411 1.00 0.00 C ATOM 557 CG GLU A 41 2.347 13.097 -11.922 1.00 0.00 C ATOM 558 CD GLU A 41 0.891 13.504 -12.038 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.556 14.244 -12.987 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.087 13.084 -11.180 1.00 0.00 O ATOM 0 H GLU A 41 4.173 13.474 -13.737 1.00 0.00 H new ATOM 0 HA GLU A 41 5.264 14.919 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.151 14.271 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.857 15.171 -11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.708 12.771 -12.898 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.429 12.243 -11.250 1.00 0.00 H new ATOM 567 N PRO A 42 5.929 12.933 -10.027 1.00 0.00 N ATOM 568 CA PRO A 42 6.531 11.801 -9.316 1.00 0.00 C ATOM 569 C PRO A 42 5.484 10.866 -8.721 1.00 0.00 C ATOM 570 O PRO A 42 4.330 11.251 -8.533 1.00 0.00 O ATOM 571 CB PRO A 42 7.342 12.471 -8.205 1.00 0.00 C ATOM 572 CG PRO A 42 6.667 13.780 -7.979 1.00 0.00 C ATOM 573 CD PRO A 42 6.135 14.208 -9.319 1.00 0.00 C ATOM 0 HA PRO A 42 7.127 11.174 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.346 11.866 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.382 12.608 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.861 13.683 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.366 14.517 -7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.205 14.769 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.841 14.850 -9.845 1.00 0.00 H new ATOM 581 N TRP A 43 5.893 9.638 -8.427 1.00 0.00 N ATOM 582 CA TRP A 43 4.989 8.648 -7.852 1.00 0.00 C ATOM 583 C TRP A 43 4.790 8.893 -6.361 1.00 0.00 C ATOM 584 O TRP A 43 5.741 8.835 -5.580 1.00 0.00 O ATOM 585 CB TRP A 43 5.532 7.237 -8.082 1.00 0.00 C ATOM 586 CG TRP A 43 5.125 6.650 -9.400 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.845 6.666 -10.560 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.903 5.964 -9.692 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.143 6.031 -11.557 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.949 5.590 -11.049 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.775 5.628 -8.938 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.910 4.899 -11.666 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.745 4.941 -9.552 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.818 4.582 -10.905 1.00 0.00 C ATOM 0 H TRP A 43 6.845 9.303 -8.577 1.00 0.00 H new ATOM 0 HA TRP A 43 4.023 8.743 -8.348 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.620 7.260 -8.024 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.184 6.586 -7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.822 7.112 -10.677 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.459 5.908 -12.519 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.710 5.900 -7.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.964 4.623 -12.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.868 4.676 -8.979 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.996 4.045 -11.355 1.00 0.00 H new ATOM 605 N ASP A 44 3.550 9.167 -5.971 1.00 0.00 N ATOM 606 CA ASP A 44 3.227 9.420 -4.571 1.00 0.00 C ATOM 607 C ASP A 44 2.448 8.252 -3.974 1.00 0.00 C ATOM 608 O ASP A 44 1.734 7.542 -4.683 1.00 0.00 O ATOM 609 CB ASP A 44 2.417 10.711 -4.438 1.00 0.00 C ATOM 610 CG ASP A 44 1.437 10.900 -5.579 1.00 0.00 C ATOM 611 OD1 ASP A 44 1.889 11.174 -6.710 1.00 0.00 O ATOM 612 OD2 ASP A 44 0.217 10.774 -5.341 1.00 0.00 O ATOM 0 H ASP A 44 2.752 9.220 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 44 4.162 9.529 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.873 10.699 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.098 11.562 -4.403 1.00 0.00 H new ATOM 617 N ILE A 45 2.592 8.059 -2.667 1.00 0.00 N ATOM 618 CA ILE A 45 1.902 6.978 -1.975 1.00 0.00 C ATOM 619 C ILE A 45 0.479 6.809 -2.498 1.00 0.00 C ATOM 620 O ILE A 45 0.044 5.696 -2.794 1.00 0.00 O ATOM 621 CB ILE A 45 1.852 7.223 -0.455 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.249 7.548 0.077 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.276 6.009 0.259 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.307 6.559 -0.359 1.00 0.00 C ATOM 0 H ILE A 45 3.180 8.637 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 45 2.469 6.068 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 45 1.202 8.076 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.534 8.545 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.217 7.576 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.247 6.198 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.266 5.819 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.902 5.139 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.272 6.852 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.045 5.564 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.368 6.547 -1.447 1.00 0.00 H new ATOM 636 N ARG A 46 -0.239 7.921 -2.612 1.00 0.00 N ATOM 637 CA ARG A 46 -1.613 7.897 -3.101 1.00 0.00 C ATOM 638 C ARG A 46 -1.741 6.983 -4.316 1.00 0.00 C ATOM 639 O ARG A 46 -2.494 6.011 -4.297 1.00 0.00 O ATOM 640 CB ARG A 46 -2.073 9.311 -3.461 1.00 0.00 C ATOM 641 CG ARG A 46 -3.567 9.529 -3.282 1.00 0.00 C ATOM 642 CD ARG A 46 -3.950 10.981 -3.522 1.00 0.00 C ATOM 643 NE ARG A 46 -5.328 11.113 -3.990 1.00 0.00 N ATOM 644 CZ ARG A 46 -6.053 12.214 -3.836 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.536 13.274 -3.231 1.00 0.00 N ATOM 646 NH2 ARG A 46 -7.300 12.258 -4.288 1.00 0.00 N ATOM 0 H ARG A 46 0.107 8.850 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.249 7.507 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.533 10.028 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.806 9.518 -4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.115 8.888 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.861 9.236 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.825 11.546 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.274 11.418 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.756 10.316 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.578 13.245 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.096 14.118 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.702 11.445 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.856 13.105 -4.169 1.00 0.00 H new ATOM 660 N ASN A 47 -1.001 7.304 -5.372 1.00 0.00 N ATOM 661 CA ASN A 47 -1.033 6.513 -6.597 1.00 0.00 C ATOM 662 C ASN A 47 -0.376 5.153 -6.383 1.00 0.00 C ATOM 663 O ASN A 47 -0.915 4.121 -6.785 1.00 0.00 O ATOM 664 CB ASN A 47 -0.328 7.261 -7.730 1.00 0.00 C ATOM 665 CG ASN A 47 -1.149 8.422 -8.256 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.670 8.374 -9.370 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.266 9.474 -7.454 1.00 0.00 N ATOM 0 H ASN A 47 -0.372 8.106 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.076 6.353 -6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.633 7.631 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.120 6.568 -8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.805 10.286 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.817 9.470 -6.538 1.00 0.00 H new ATOM 674 N LEU A 48 0.791 5.159 -5.748 1.00 0.00 N ATOM 675 CA LEU A 48 1.522 3.926 -5.479 1.00 0.00 C ATOM 676 C LEU A 48 0.563 2.778 -5.180 1.00 0.00 C ATOM 677 O LEU A 48 0.779 1.646 -5.614 1.00 0.00 O ATOM 678 CB LEU A 48 2.481 4.124 -4.304 1.00 0.00 C ATOM 679 CG LEU A 48 3.362 2.926 -3.947 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.505 2.789 -4.941 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.899 3.063 -2.530 1.00 0.00 C ATOM 0 H LEU A 48 1.251 6.004 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 48 2.097 3.672 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.129 4.972 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.896 4.394 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 48 2.753 2.023 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.121 1.931 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.101 2.644 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.114 3.693 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.524 2.202 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.492 3.974 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.066 3.111 -1.828 1.00 0.00 H new ATOM 693 N LEU A 49 -0.497 3.078 -4.438 1.00 0.00 N ATOM 694 CA LEU A 49 -1.491 2.072 -4.082 1.00 0.00 C ATOM 695 C LEU A 49 -2.149 1.492 -5.330 1.00 0.00 C ATOM 696 O LEU A 49 -2.016 0.303 -5.619 1.00 0.00 O ATOM 697 CB LEU A 49 -2.555 2.679 -3.166 1.00 0.00 C ATOM 698 CG LEU A 49 -2.274 2.598 -1.665 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.784 1.208 -1.289 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.259 3.654 -1.255 1.00 0.00 C ATOM 0 H LEU A 49 -0.690 4.010 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.983 1.266 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.682 3.727 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.504 2.181 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.203 2.790 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.589 1.169 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.545 0.472 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.866 0.986 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.071 3.582 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.328 3.494 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.650 4.644 -1.489 1.00 0.00 H new ATOM 712 N VAL A 50 -2.859 2.340 -6.068 1.00 0.00 N ATOM 713 CA VAL A 50 -3.535 1.913 -7.287 1.00 0.00 C ATOM 714 C VAL A 50 -2.732 0.840 -8.013 1.00 0.00 C ATOM 715 O VAL A 50 -3.277 -0.183 -8.428 1.00 0.00 O ATOM 716 CB VAL A 50 -3.770 3.098 -8.242 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.449 2.627 -9.520 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.595 4.178 -7.558 1.00 0.00 C ATOM 0 H VAL A 50 -2.981 3.327 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.499 1.501 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.803 3.525 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.607 3.478 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.817 1.892 -10.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.410 2.174 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.751 5.008 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.560 3.766 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.066 4.535 -6.674 1.00 0.00 H new ATOM 728 N TRP A 51 -1.435 1.080 -8.164 1.00 0.00 N ATOM 729 CA TRP A 51 -0.555 0.134 -8.840 1.00 0.00 C ATOM 730 C TRP A 51 -0.471 -1.179 -8.069 1.00 0.00 C ATOM 731 O TRP A 51 -0.848 -2.234 -8.578 1.00 0.00 O ATOM 732 CB TRP A 51 0.842 0.733 -9.007 1.00 0.00 C ATOM 733 CG TRP A 51 1.727 -0.067 -9.914 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.954 0.156 -11.243 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.502 -1.218 -9.560 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.822 -0.788 -11.736 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.174 -1.641 -10.724 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.695 -1.930 -8.374 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.023 -2.745 -10.732 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.537 -3.026 -8.385 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.193 -3.424 -9.557 1.00 0.00 C ATOM 0 H TRP A 51 -0.969 1.922 -7.827 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.973 -0.072 -9.825 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.751 1.745 -9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.315 0.813 -8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.516 0.956 -11.821 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.151 -0.844 -12.700 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.195 -1.630 -7.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.529 -3.054 -11.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.692 -3.585 -7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.846 -4.284 -9.532 1.00 0.00 H new ATOM 752 N ILE A 52 0.024 -1.105 -6.838 1.00 0.00 N ATOM 753 CA ILE A 52 0.156 -2.288 -5.996 1.00 0.00 C ATOM 754 C ILE A 52 -1.194 -2.963 -5.782 1.00 0.00 C ATOM 755 O ILE A 52 -1.264 -4.120 -5.368 1.00 0.00 O ATOM 756 CB ILE A 52 0.766 -1.939 -4.626 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.146 -1.301 -4.805 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.860 -3.183 -3.755 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.686 -0.667 -3.543 1.00 0.00 C ATOM 0 H ILE A 52 0.340 -0.239 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 52 0.824 -2.974 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 52 0.116 -1.220 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.847 -2.061 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.089 -0.544 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.293 -2.920 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.137 -3.598 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.491 -3.924 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.666 -0.235 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.006 0.116 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.776 -1.425 -2.765 1.00 0.00 H new ATOM 771 N LYS A 53 -2.267 -2.233 -6.068 1.00 0.00 N ATOM 772 CA LYS A 53 -3.617 -2.760 -5.910 1.00 0.00 C ATOM 773 C LYS A 53 -4.080 -3.460 -7.184 1.00 0.00 C ATOM 774 O LYS A 53 -5.084 -4.173 -7.183 1.00 0.00 O ATOM 775 CB LYS A 53 -4.588 -1.634 -5.552 1.00 0.00 C ATOM 776 CG LYS A 53 -4.694 -1.373 -4.059 1.00 0.00 C ATOM 777 CD LYS A 53 -5.785 -0.363 -3.745 1.00 0.00 C ATOM 778 CE LYS A 53 -7.170 -0.977 -3.880 1.00 0.00 C ATOM 779 NZ LYS A 53 -8.246 0.030 -3.668 1.00 0.00 N ATOM 0 H LYS A 53 -2.227 -1.273 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.603 -3.489 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.269 -0.719 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.576 -1.881 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.902 -2.308 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.739 -1.006 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.651 0.015 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.697 0.490 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.276 -1.419 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.281 -1.785 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.032 -0.407 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.870 0.830 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.589 0.371 -4.589 1.00 0.00 H new ATOM 793 N LYS A 54 -3.342 -3.252 -8.269 1.00 0.00 N ATOM 794 CA LYS A 54 -3.675 -3.865 -9.550 1.00 0.00 C ATOM 795 C LYS A 54 -2.493 -4.658 -10.097 1.00 0.00 C ATOM 796 O LYS A 54 -2.576 -5.873 -10.272 1.00 0.00 O ATOM 797 CB LYS A 54 -4.093 -2.792 -10.558 1.00 0.00 C ATOM 798 CG LYS A 54 -5.414 -2.122 -10.220 1.00 0.00 C ATOM 799 CD LYS A 54 -6.108 -1.596 -11.465 1.00 0.00 C ATOM 800 CE LYS A 54 -7.356 -0.801 -11.115 1.00 0.00 C ATOM 801 NZ LYS A 54 -8.474 -1.685 -10.684 1.00 0.00 N ATOM 0 H LYS A 54 -2.509 -2.664 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.508 -4.550 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.313 -2.032 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.167 -3.244 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.065 -2.834 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.239 -1.300 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.420 -0.965 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.377 -2.430 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.125 -0.094 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.668 -0.216 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.306 -1.105 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.712 -2.343 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.185 -2.225 -9.843 1.00 0.00 H new ATOM 815 N ASN A 55 -1.392 -3.962 -10.365 1.00 0.00 N ATOM 816 CA ASN A 55 -0.192 -4.602 -10.892 1.00 0.00 C ATOM 817 C ASN A 55 0.259 -5.743 -9.984 1.00 0.00 C ATOM 818 O ASN A 55 0.305 -6.901 -10.400 1.00 0.00 O ATOM 819 CB ASN A 55 0.934 -3.578 -11.041 1.00 0.00 C ATOM 820 CG ASN A 55 0.921 -2.897 -12.396 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.775 -3.159 -13.243 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.051 -2.017 -12.606 1.00 0.00 N ATOM 0 H ASN A 55 -1.306 -2.955 -10.226 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.431 -5.014 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.843 -2.825 -10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.894 -4.074 -10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.111 -1.527 -13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.738 -1.831 -11.875 1.00 0.00 H new ATOM 829 N LEU A 56 0.590 -5.407 -8.742 1.00 0.00 N ATOM 830 CA LEU A 56 1.037 -6.403 -7.774 1.00 0.00 C ATOM 831 C LEU A 56 -0.131 -7.258 -7.294 1.00 0.00 C ATOM 832 O LEU A 56 -0.145 -8.474 -7.489 1.00 0.00 O ATOM 833 CB LEU A 56 1.706 -5.718 -6.581 1.00 0.00 C ATOM 834 CG LEU A 56 2.806 -6.516 -5.879 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.079 -6.517 -6.711 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.073 -5.950 -4.492 1.00 0.00 C ATOM 0 H LEU A 56 0.557 -4.453 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 56 1.761 -7.053 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.131 -4.774 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.936 -5.476 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 56 2.467 -7.546 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.850 -7.089 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.879 -6.970 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.422 -5.492 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.858 -6.530 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.390 -4.911 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.162 -6.003 -3.896 1.00 0.00 H new ATOM 848 N LEU A 57 -1.111 -6.615 -6.667 1.00 0.00 N ATOM 849 CA LEU A 57 -2.285 -7.317 -6.161 1.00 0.00 C ATOM 850 C LEU A 57 -3.168 -7.799 -7.308 1.00 0.00 C ATOM 851 O LEU A 57 -3.387 -7.079 -8.282 1.00 0.00 O ATOM 852 CB LEU A 57 -3.089 -6.404 -5.234 1.00 0.00 C ATOM 853 CG LEU A 57 -4.475 -6.908 -4.831 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.367 -7.913 -3.694 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.371 -5.744 -4.434 1.00 0.00 C ATOM 0 H LEU A 57 -1.115 -5.609 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.943 -8.186 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.507 -6.237 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.204 -5.436 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.923 -7.408 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.363 -8.261 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.762 -8.761 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.899 -7.438 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.353 -6.121 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.928 -5.215 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.474 -5.061 -5.277 1.00 0.00 H new ATOM 867 N LYS A 58 -3.673 -9.022 -7.185 1.00 0.00 N ATOM 868 CA LYS A 58 -4.535 -9.601 -8.208 1.00 0.00 C ATOM 869 C LYS A 58 -5.910 -9.934 -7.637 1.00 0.00 C ATOM 870 O LYS A 58 -6.896 -9.999 -8.370 1.00 0.00 O ATOM 871 CB LYS A 58 -3.894 -10.862 -8.791 1.00 0.00 C ATOM 872 CG LYS A 58 -2.665 -10.584 -9.639 1.00 0.00 C ATOM 873 CD LYS A 58 -3.040 -10.250 -11.073 1.00 0.00 C ATOM 874 CE LYS A 58 -1.918 -9.512 -11.786 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.871 -8.073 -11.407 1.00 0.00 N ATOM 0 H LYS A 58 -3.500 -9.632 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.660 -8.864 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.618 -11.530 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.632 -11.387 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.103 -9.756 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.009 -11.455 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.273 -11.168 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.942 -9.638 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.964 -9.982 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.054 -9.599 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.105 -7.488 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.559 -7.891 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.916 -7.833 -11.072 1.00 0.00 H new ATOM 889 N GLU A 59 -5.966 -10.142 -6.326 1.00 0.00 N ATOM 890 CA GLU A 59 -7.221 -10.467 -5.658 1.00 0.00 C ATOM 891 C GLU A 59 -8.088 -9.222 -5.491 1.00 0.00 C ATOM 892 O GLU A 59 -7.743 -8.144 -5.974 1.00 0.00 O ATOM 893 CB GLU A 59 -6.948 -11.099 -4.291 1.00 0.00 C ATOM 894 CG GLU A 59 -6.779 -12.608 -4.342 1.00 0.00 C ATOM 895 CD GLU A 59 -7.837 -13.287 -5.189 1.00 0.00 C ATOM 896 OE1 GLU A 59 -9.023 -12.916 -5.064 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.480 -14.188 -5.977 1.00 0.00 O ATOM 0 H GLU A 59 -5.158 -10.091 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.759 -11.182 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.047 -10.655 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.770 -10.856 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.793 -12.846 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.818 -13.008 -3.329 1.00 0.00 H new ATOM 904 N ARG A 60 -9.214 -9.381 -4.804 1.00 0.00 N ATOM 905 CA ARG A 60 -10.131 -8.271 -4.574 1.00 0.00 C ATOM 906 C ARG A 60 -9.463 -7.175 -3.749 1.00 0.00 C ATOM 907 O ARG A 60 -8.999 -7.401 -2.631 1.00 0.00 O ATOM 908 CB ARG A 60 -11.393 -8.762 -3.862 1.00 0.00 C ATOM 909 CG ARG A 60 -12.496 -9.200 -4.812 1.00 0.00 C ATOM 910 CD ARG A 60 -13.272 -8.008 -5.350 1.00 0.00 C ATOM 911 NE ARG A 60 -14.415 -8.420 -6.162 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.101 -7.590 -6.939 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.763 -6.310 -7.010 1.00 0.00 N ATOM 914 NH2 ARG A 60 -16.129 -8.040 -7.648 1.00 0.00 N ATOM 0 H ARG A 60 -9.513 -10.267 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.407 -7.855 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.132 -9.597 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.772 -7.966 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.063 -9.758 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.177 -9.876 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.620 -7.397 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.608 -7.384 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.701 -9.398 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.974 -5.960 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.292 -5.675 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.393 -9.024 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.655 -7.402 -8.245 1.00 0.00 H new ATOM 928 N PRO A 61 -9.411 -5.958 -4.311 1.00 0.00 N ATOM 929 CA PRO A 61 -8.802 -4.804 -3.645 1.00 0.00 C ATOM 930 C PRO A 61 -9.621 -4.324 -2.451 1.00 0.00 C ATOM 931 O PRO A 61 -9.071 -4.019 -1.394 1.00 0.00 O ATOM 932 CB PRO A 61 -8.777 -3.735 -4.740 1.00 0.00 C ATOM 933 CG PRO A 61 -9.881 -4.114 -5.665 1.00 0.00 C ATOM 934 CD PRO A 61 -9.943 -5.616 -5.641 1.00 0.00 C ATOM 0 HA PRO A 61 -7.819 -5.041 -3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.933 -2.739 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.817 -3.719 -5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.827 -3.679 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.689 -3.747 -6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.963 -5.978 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.344 -6.056 -6.439 1.00 0.00 H new ATOM 942 N GLU A 62 -10.937 -4.262 -2.629 1.00 0.00 N ATOM 943 CA GLU A 62 -11.830 -3.819 -1.565 1.00 0.00 C ATOM 944 C GLU A 62 -11.533 -4.557 -0.263 1.00 0.00 C ATOM 945 O GLU A 62 -11.902 -4.101 0.820 1.00 0.00 O ATOM 946 CB GLU A 62 -13.289 -4.042 -1.969 1.00 0.00 C ATOM 947 CG GLU A 62 -13.548 -5.404 -2.591 1.00 0.00 C ATOM 948 CD GLU A 62 -14.960 -5.899 -2.346 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.539 -5.546 -1.297 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.486 -6.639 -3.204 1.00 0.00 O ATOM 0 H GLU A 62 -11.408 -4.513 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.663 -2.754 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.922 -3.928 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.584 -3.267 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.368 -5.349 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.839 -6.125 -2.185 1.00 0.00 H new ATOM 957 N LEU A 63 -10.864 -5.699 -0.376 1.00 0.00 N ATOM 958 CA LEU A 63 -10.517 -6.501 0.792 1.00 0.00 C ATOM 959 C LEU A 63 -9.228 -6.000 1.433 1.00 0.00 C ATOM 960 O LEU A 63 -9.182 -5.733 2.634 1.00 0.00 O ATOM 961 CB LEU A 63 -10.366 -7.972 0.398 1.00 0.00 C ATOM 962 CG LEU A 63 -11.633 -8.823 0.483 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.822 -8.070 -0.091 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.436 -10.146 -0.243 1.00 0.00 C ATOM 0 H LEU A 63 -10.551 -6.090 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.323 -6.407 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.990 -8.017 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.606 -8.422 1.037 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.836 -9.034 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.714 -8.692 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.976 -7.150 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.629 -7.828 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.348 -10.739 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.208 -9.955 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.611 -10.693 0.214 1.00 0.00 H new ATOM 976 N PHE A 64 -8.181 -5.871 0.624 1.00 0.00 N ATOM 977 CA PHE A 64 -6.891 -5.400 1.113 1.00 0.00 C ATOM 978 C PHE A 64 -6.934 -3.903 1.406 1.00 0.00 C ATOM 979 O PHE A 64 -6.616 -3.468 2.513 1.00 0.00 O ATOM 980 CB PHE A 64 -5.794 -5.698 0.088 1.00 0.00 C ATOM 981 CG PHE A 64 -4.413 -5.355 0.571 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.889 -5.962 1.701 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.640 -4.426 -0.106 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.620 -5.647 2.147 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.370 -4.107 0.335 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.858 -4.719 1.463 1.00 0.00 C ATOM 0 H PHE A 64 -8.201 -6.086 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.667 -5.928 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.827 -6.756 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.000 -5.140 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.479 -6.689 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.035 -3.945 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.224 -6.126 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.778 -3.380 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.865 -4.473 1.809 1.00 0.00 H new ATOM 996 N ILE A 65 -7.329 -3.121 0.407 1.00 0.00 N ATOM 997 CA ILE A 65 -7.415 -1.674 0.558 1.00 0.00 C ATOM 998 C ILE A 65 -8.684 -1.128 -0.086 1.00 0.00 C ATOM 999 O ILE A 65 -9.124 -1.619 -1.125 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.194 -0.970 -0.064 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.921 -1.340 0.701 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.397 0.537 -0.068 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.649 -1.008 -0.048 1.00 0.00 C ATOM 0 H ILE A 65 -7.595 -3.465 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.437 -1.469 1.628 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.086 -1.305 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.917 -0.818 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.936 -2.408 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.526 1.020 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.284 0.783 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.527 0.889 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.787 -1.297 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.631 -1.551 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.612 0.064 -0.244 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.267 -0.109 0.538 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.486 0.504 0.024 1.00 0.00 C ATOM 1017 C GLN A 66 -10.190 1.864 -0.599 1.00 0.00 C ATOM 1018 O GLN A 66 -9.942 2.841 0.106 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.516 0.656 1.145 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.950 0.740 0.645 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.365 -0.486 -0.145 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.512 -1.575 0.408 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.555 -0.313 -1.448 1.00 0.00 N ATOM 0 H GLN A 66 -8.915 0.309 1.399 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.894 -0.148 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.426 -0.190 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.287 1.554 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.621 0.864 1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.061 1.626 0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.422 0.608 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.834 -1.101 -2.032 1.00 0.00 H new ATOM 1032 N GLY A 67 -10.218 1.919 -1.928 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.951 3.164 -2.624 1.00 0.00 C ATOM 1034 C GLY A 67 -8.472 3.378 -2.882 1.00 0.00 C ATOM 1035 O GLY A 67 -7.689 2.429 -2.867 1.00 0.00 O ATOM 0 H GLY A 67 -10.421 1.124 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.487 3.168 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.338 3.996 -2.036 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.090 4.628 -3.121 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.696 4.964 -3.384 1.00 0.00 C ATOM 1041 C ASP A 68 -5.876 4.928 -2.098 1.00 0.00 C ATOM 1042 O ASP A 68 -4.680 4.636 -2.120 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.595 6.346 -4.030 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.385 6.476 -4.934 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -4.696 5.458 -5.153 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.127 7.596 -5.424 1.00 0.00 O ATOM 0 H ASP A 68 -8.726 5.425 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.293 4.220 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.499 6.541 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.545 7.106 -3.250 1.00 0.00 H new ATOM 1051 N SER A 69 -6.527 5.229 -0.979 1.00 0.00 N ATOM 1052 CA SER A 69 -5.857 5.236 0.316 1.00 0.00 C ATOM 1053 C SER A 69 -5.890 3.850 0.953 1.00 0.00 C ATOM 1054 O SER A 69 -6.782 3.048 0.676 1.00 0.00 O ATOM 1055 CB SER A 69 -6.516 6.254 1.249 1.00 0.00 C ATOM 1056 OG SER A 69 -7.927 6.122 1.234 1.00 0.00 O ATOM 0 H SER A 69 -7.517 5.471 -0.943 1.00 0.00 H new ATOM 0 HA SER A 69 -4.816 5.519 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.145 6.114 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.239 7.263 0.945 1.00 0.00 H new ATOM 0 HG SER A 69 -8.324 6.783 1.840 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.911 3.575 1.809 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.828 2.287 2.487 1.00 0.00 C ATOM 1064 C VAL A 70 -5.827 2.205 3.636 1.00 0.00 C ATOM 1065 O VAL A 70 -5.959 3.140 4.425 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.411 2.032 3.034 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.421 1.856 1.893 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -2.982 3.167 3.952 1.00 0.00 C ATOM 0 H VAL A 70 -4.164 4.227 2.049 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.067 1.523 1.747 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.426 1.110 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.426 1.677 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.721 1.007 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.406 2.758 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.979 2.970 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.983 4.105 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.676 3.240 4.789 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.527 1.079 3.724 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.516 0.875 4.776 1.00 0.00 C ATOM 1080 C ARG A 71 -7.010 1.418 6.109 1.00 0.00 C ATOM 1081 O ARG A 71 -5.812 1.614 6.314 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.847 -0.613 4.912 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.960 -1.075 3.985 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.110 -2.589 4.008 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.052 -3.029 5.033 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.367 -2.873 4.940 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.894 -2.289 3.872 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.159 -3.301 5.915 1.00 0.00 N ATOM 0 H ARG A 71 -6.428 0.294 3.080 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.420 1.418 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.949 -1.197 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.134 -0.820 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.900 -0.610 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.749 -0.744 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.449 -2.935 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.138 -3.047 4.188 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.679 -3.482 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.289 -1.959 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.905 -2.170 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.758 -3.751 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.169 -3.180 5.842 1.00 0.00 H new ATOM 1102 N PRO A 72 -7.944 1.667 7.039 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.617 2.191 8.369 1.00 0.00 C ATOM 1104 C PRO A 72 -6.890 1.166 9.233 1.00 0.00 C ATOM 1105 O PRO A 72 -6.591 1.423 10.398 1.00 0.00 O ATOM 1106 CB PRO A 72 -8.988 2.519 8.967 1.00 0.00 C ATOM 1107 CG PRO A 72 -9.937 1.618 8.256 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.391 1.456 6.865 1.00 0.00 C ATOM 0 HA PRO A 72 -6.944 3.047 8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.004 2.341 10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.246 3.567 8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.012 0.655 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.939 2.046 8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.607 0.467 6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.823 2.182 6.177 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.608 0.003 8.653 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.918 -1.043 9.385 1.00 0.00 C ATOM 1118 C GLY A 73 -4.536 -1.325 8.829 1.00 0.00 C ATOM 1119 O GLY A 73 -3.617 -1.663 9.575 1.00 0.00 O ATOM 0 H GLY A 73 -6.845 -0.233 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.833 -0.754 10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.512 -1.956 9.354 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.390 -1.187 7.515 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.110 -1.430 6.861 1.00 0.00 C ATOM 1125 C ILE A 74 -2.091 -0.358 7.231 1.00 0.00 C ATOM 1126 O ILE A 74 -2.171 0.778 6.762 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.261 -1.472 5.328 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.409 -2.404 4.933 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.960 -1.920 4.680 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.055 -3.871 5.024 1.00 0.00 C ATOM 0 H ILE A 74 -5.141 -0.909 6.884 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.756 -2.400 7.210 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.494 -0.468 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.266 -2.205 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.717 -2.176 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.082 -1.945 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.165 -1.221 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.699 -2.916 5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.915 -4.472 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.218 -4.085 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.776 -4.115 6.049 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.132 -0.727 8.072 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.094 0.203 8.505 1.00 0.00 C ATOM 1144 C LEU A 75 1.125 0.120 7.592 1.00 0.00 C ATOM 1145 O LEU A 75 1.784 -0.916 7.510 1.00 0.00 O ATOM 1146 CB LEU A 75 0.315 -0.094 9.948 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.829 -0.274 10.947 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.312 -0.859 12.252 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.532 1.053 11.196 1.00 0.00 C ATOM 0 H LEU A 75 -1.051 -1.663 8.468 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.499 1.213 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.921 -1.000 9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.952 0.718 10.298 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.551 -0.971 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.140 -0.980 12.950 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.145 -1.830 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.431 -0.187 12.683 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.343 0.907 11.909 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.819 1.772 11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.938 1.432 10.258 1.00 0.00 H new ATOM 1161 N VAL A 76 1.421 1.221 6.908 1.00 0.00 N ATOM 1162 CA VAL A 76 2.563 1.275 6.003 1.00 0.00 C ATOM 1163 C VAL A 76 3.757 1.956 6.664 1.00 0.00 C ATOM 1164 O VAL A 76 3.605 2.681 7.648 1.00 0.00 O ATOM 1165 CB VAL A 76 2.215 2.023 4.703 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.991 1.406 4.043 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.991 3.502 4.983 1.00 0.00 C ATOM 0 H VAL A 76 0.886 2.087 6.964 1.00 0.00 H new ATOM 0 HA VAL A 76 2.824 0.245 5.762 1.00 0.00 H new ATOM 0 HB VAL A 76 3.055 1.930 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.760 1.948 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.193 0.361 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.142 1.466 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.746 4.015 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.169 3.618 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.898 3.933 5.408 1.00 0.00 H new ATOM 1177 N LEU A 77 4.944 1.719 6.117 1.00 0.00 N ATOM 1178 CA LEU A 77 6.165 2.310 6.653 1.00 0.00 C ATOM 1179 C LEU A 77 7.173 2.579 5.541 1.00 0.00 C ATOM 1180 O LEU A 77 7.596 1.661 4.837 1.00 0.00 O ATOM 1181 CB LEU A 77 6.783 1.387 7.705 1.00 0.00 C ATOM 1182 CG LEU A 77 6.321 1.608 9.146 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.368 0.304 9.927 1.00 0.00 C ATOM 1184 CD2 LEU A 77 7.177 2.669 9.823 1.00 0.00 C ATOM 0 H LEU A 77 5.087 1.122 5.303 1.00 0.00 H new ATOM 0 HA LEU A 77 5.905 3.260 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.564 0.356 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.866 1.503 7.670 1.00 0.00 H new ATOM 0 HG LEU A 77 5.289 1.959 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.036 0.480 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.713 -0.427 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.389 -0.077 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.834 2.814 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.218 2.346 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.092 3.608 9.276 1.00 0.00 H new ATOM 1196 N ILE A 78 7.556 3.842 5.389 1.00 0.00 N ATOM 1197 CA ILE A 78 8.517 4.231 4.364 1.00 0.00 C ATOM 1198 C ILE A 78 9.930 4.298 4.934 1.00 0.00 C ATOM 1199 O ILE A 78 10.210 5.085 5.836 1.00 0.00 O ATOM 1200 CB ILE A 78 8.160 5.596 3.746 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.761 5.550 3.129 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.193 5.990 2.701 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.063 6.892 3.114 1.00 0.00 C ATOM 0 H ILE A 78 7.216 4.614 5.963 1.00 0.00 H new ATOM 0 HA ILE A 78 8.476 3.468 3.587 1.00 0.00 H new ATOM 0 HB ILE A 78 8.164 6.348 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.835 5.177 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.151 4.838 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.927 6.957 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.176 6.058 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.217 5.238 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.077 6.784 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.957 7.258 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.652 7.602 2.533 1.00 0.00 H new ATOM 1215 N ASN A 79 10.818 3.467 4.398 1.00 0.00 N ATOM 1216 CA ASN A 79 12.203 3.432 4.851 1.00 0.00 C ATOM 1217 C ASN A 79 12.276 3.344 6.373 1.00 0.00 C ATOM 1218 O ASN A 79 13.061 4.047 7.009 1.00 0.00 O ATOM 1219 CB ASN A 79 12.953 4.674 4.365 1.00 0.00 C ATOM 1220 CG ASN A 79 12.933 4.807 2.854 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.580 3.866 2.142 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.313 5.978 2.358 1.00 0.00 N ATOM 0 H ASN A 79 10.603 2.809 3.649 1.00 0.00 H new ATOM 0 HA ASN A 79 12.674 2.544 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.506 5.563 4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.986 4.629 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.320 6.126 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.598 6.730 2.986 1.00 0.00 H new ATOM 1229 N ASP A 80 11.451 2.476 6.950 1.00 0.00 N ATOM 1230 CA ASP A 80 11.422 2.295 8.396 1.00 0.00 C ATOM 1231 C ASP A 80 10.989 3.579 9.096 1.00 0.00 C ATOM 1232 O ASP A 80 11.583 3.983 10.096 1.00 0.00 O ATOM 1233 CB ASP A 80 12.798 1.861 8.905 1.00 0.00 C ATOM 1234 CG ASP A 80 13.189 0.481 8.414 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.280 -0.333 8.149 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.403 0.215 8.295 1.00 0.00 O ATOM 0 H ASP A 80 10.794 1.887 6.438 1.00 0.00 H new ATOM 0 HA ASP A 80 10.696 1.515 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.546 2.584 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.798 1.869 9.995 1.00 0.00 H new ATOM 1241 N ALA A 81 9.951 4.216 8.564 1.00 0.00 N ATOM 1242 CA ALA A 81 9.437 5.453 9.138 1.00 0.00 C ATOM 1243 C ALA A 81 7.960 5.639 8.809 1.00 0.00 C ATOM 1244 O ALA A 81 7.577 5.700 7.641 1.00 0.00 O ATOM 1245 CB ALA A 81 10.245 6.642 8.639 1.00 0.00 C ATOM 0 H ALA A 81 9.449 3.895 7.736 1.00 0.00 H new ATOM 0 HA ALA A 81 9.535 5.390 10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.850 7.559 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.288 6.521 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.176 6.698 7.553 1.00 0.00 H new ATOM 1251 N ASP A 82 7.135 5.729 9.846 1.00 0.00 N ATOM 1252 CA ASP A 82 5.699 5.909 9.667 1.00 0.00 C ATOM 1253 C ASP A 82 5.411 6.879 8.525 1.00 0.00 C ATOM 1254 O ASP A 82 5.951 7.985 8.486 1.00 0.00 O ATOM 1255 CB ASP A 82 5.062 6.421 10.960 1.00 0.00 C ATOM 1256 CG ASP A 82 5.245 5.457 12.116 1.00 0.00 C ATOM 1257 OD1 ASP A 82 4.629 4.371 12.086 1.00 0.00 O ATOM 1258 OD2 ASP A 82 6.003 5.789 13.052 1.00 0.00 O ATOM 0 H ASP A 82 7.436 5.680 10.819 1.00 0.00 H new ATOM 0 HA ASP A 82 5.265 4.941 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.500 7.384 11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.998 6.589 10.796 1.00 0.00 H new ATOM 1263 N TRP A 83 4.558 6.457 7.599 1.00 0.00 N ATOM 1264 CA TRP A 83 4.200 7.289 6.455 1.00 0.00 C ATOM 1265 C TRP A 83 3.388 8.501 6.897 1.00 0.00 C ATOM 1266 O TRP A 83 3.243 9.468 6.149 1.00 0.00 O ATOM 1267 CB TRP A 83 3.406 6.472 5.434 1.00 0.00 C ATOM 1268 CG TRP A 83 2.013 6.151 5.884 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.621 5.785 7.140 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.828 6.167 5.081 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.264 5.571 7.165 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.246 5.800 5.915 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.569 6.457 3.738 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.555 5.715 5.449 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.731 6.372 3.277 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.780 6.005 4.130 1.00 0.00 C ATOM 0 H TRP A 83 4.102 5.545 7.617 1.00 0.00 H new ATOM 0 HA TRP A 83 5.121 7.642 5.991 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.359 7.024 4.495 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.938 5.542 5.231 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.281 5.679 7.989 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.276 5.287 7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.371 6.742 3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.365 5.430 6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.942 6.592 2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.785 5.950 3.740 1.00 0.00 H new ATOM 1287 N GLU A 84 2.860 8.443 8.116 1.00 0.00 N ATOM 1288 CA GLU A 84 2.062 9.538 8.655 1.00 0.00 C ATOM 1289 C GLU A 84 2.948 10.720 9.036 1.00 0.00 C ATOM 1290 O GLU A 84 2.612 11.875 8.768 1.00 0.00 O ATOM 1291 CB GLU A 84 1.269 9.067 9.875 1.00 0.00 C ATOM 1292 CG GLU A 84 2.026 8.084 10.752 1.00 0.00 C ATOM 1293 CD GLU A 84 1.477 8.018 12.164 1.00 0.00 C ATOM 1294 OE1 GLU A 84 1.909 8.831 13.007 1.00 0.00 O ATOM 1295 OE2 GLU A 84 0.615 7.153 12.426 1.00 0.00 O ATOM 0 H GLU A 84 2.970 7.650 8.748 1.00 0.00 H new ATOM 0 HA GLU A 84 1.366 9.862 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.990 9.934 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.343 8.601 9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.981 7.092 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.077 8.370 10.788 1.00 0.00 H new ATOM 1302 N LEU A 85 4.081 10.425 9.664 1.00 0.00 N ATOM 1303 CA LEU A 85 5.017 11.463 10.083 1.00 0.00 C ATOM 1304 C LEU A 85 5.634 12.160 8.875 1.00 0.00 C ATOM 1305 O LEU A 85 6.069 13.309 8.963 1.00 0.00 O ATOM 1306 CB LEU A 85 6.118 10.861 10.958 1.00 0.00 C ATOM 1307 CG LEU A 85 5.805 10.751 12.450 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.333 10.438 12.666 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.679 9.688 13.101 1.00 0.00 C ATOM 0 H LEU A 85 4.374 9.476 9.894 1.00 0.00 H new ATOM 0 HA LEU A 85 4.465 12.203 10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.349 9.865 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.019 11.464 10.840 1.00 0.00 H new ATOM 0 HG LEU A 85 6.023 11.711 12.919 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.130 10.364 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.725 11.234 12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.088 9.492 12.183 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.443 9.623 14.163 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.492 8.724 12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.729 9.955 12.978 1.00 0.00 H new ATOM 1321 N LEU A 86 5.668 11.458 7.748 1.00 0.00 N ATOM 1322 CA LEU A 86 6.231 12.010 6.520 1.00 0.00 C ATOM 1323 C LEU A 86 5.135 12.590 5.632 1.00 0.00 C ATOM 1324 O LEU A 86 5.077 13.798 5.408 1.00 0.00 O ATOM 1325 CB LEU A 86 7.002 10.931 5.759 1.00 0.00 C ATOM 1326 CG LEU A 86 7.864 9.997 6.609 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.969 8.627 5.956 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.247 10.595 6.823 1.00 0.00 C ATOM 0 H LEU A 86 5.313 10.506 7.659 1.00 0.00 H new ATOM 0 HA LEU A 86 6.916 12.813 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.287 10.326 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.645 11.420 5.027 1.00 0.00 H new ATOM 0 HG LEU A 86 7.387 9.878 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.586 7.975 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.973 8.195 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.423 8.728 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.847 9.917 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.732 10.744 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.154 11.553 7.334 1.00 0.00 H new ATOM 1340 N GLY A 87 4.264 11.719 5.130 1.00 0.00 N ATOM 1341 CA GLY A 87 3.180 12.164 4.273 1.00 0.00 C ATOM 1342 C GLY A 87 2.330 11.014 3.770 1.00 0.00 C ATOM 1343 O GLY A 87 2.612 10.440 2.719 1.00 0.00 O ATOM 0 H GLY A 87 4.290 10.714 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.550 12.864 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.593 12.706 3.422 1.00 0.00 H new ATOM 1347 N GLU A 88 1.288 10.677 4.523 1.00 0.00 N ATOM 1348 CA GLU A 88 0.396 9.587 4.147 1.00 0.00 C ATOM 1349 C GLU A 88 0.239 9.509 2.631 1.00 0.00 C ATOM 1350 O GLU A 88 0.666 8.541 2.000 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.974 9.769 4.804 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.943 9.658 6.319 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.288 9.269 6.903 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.017 8.495 6.248 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.611 9.739 8.014 1.00 0.00 O ATOM 0 H GLU A 88 1.041 11.143 5.396 1.00 0.00 H new ATOM 0 HA GLU A 88 0.838 8.654 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.373 10.745 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.660 9.020 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.197 8.919 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.629 10.612 6.743 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.375 10.535 2.053 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.589 10.585 0.611 1.00 0.00 C ATOM 1364 C LEU A 89 0.154 11.763 -0.010 1.00 0.00 C ATOM 1365 O LEU A 89 0.256 11.871 -1.232 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.084 10.688 0.300 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.974 9.608 0.916 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.442 9.944 0.707 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.646 8.246 0.324 1.00 0.00 C ATOM 0 H LEU A 89 -0.734 11.344 2.561 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.197 9.664 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.439 11.661 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.212 10.662 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.780 9.571 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.061 9.165 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.667 10.900 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.652 10.009 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.289 7.489 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.811 8.268 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.603 8.003 0.527 1.00 0.00 H new ATOM 1381 N ASP A 90 0.672 12.643 0.840 1.00 0.00 N ATOM 1382 CA ASP A 90 1.409 13.812 0.375 1.00 0.00 C ATOM 1383 C ASP A 90 2.853 13.449 0.046 1.00 0.00 C ATOM 1384 O ASP A 90 3.500 14.109 -0.767 1.00 0.00 O ATOM 1385 CB ASP A 90 1.376 14.916 1.434 1.00 0.00 C ATOM 1386 CG ASP A 90 0.121 15.763 1.349 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.892 15.268 0.813 1.00 0.00 O ATOM 1388 OD2 ASP A 90 0.153 16.920 1.818 1.00 0.00 O ATOM 0 H ASP A 90 0.595 12.569 1.854 1.00 0.00 H new ATOM 0 HA ASP A 90 0.929 14.176 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.441 14.467 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.251 15.555 1.316 1.00 0.00 H new ATOM 1393 N TYR A 91 3.353 12.396 0.684 1.00 0.00 N ATOM 1394 CA TYR A 91 4.722 11.947 0.461 1.00 0.00 C ATOM 1395 C TYR A 91 4.907 11.450 -0.969 1.00 0.00 C ATOM 1396 O TYR A 91 4.079 10.701 -1.488 1.00 0.00 O ATOM 1397 CB TYR A 91 5.084 10.837 1.450 1.00 0.00 C ATOM 1398 CG TYR A 91 6.562 10.520 1.490 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.131 9.654 0.564 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.388 11.085 2.453 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.481 9.360 0.597 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.739 10.798 2.492 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.281 9.935 1.562 1.00 0.00 C ATOM 1404 OH TYR A 91 10.625 9.646 1.599 1.00 0.00 O ATOM 0 H TYR A 91 2.831 11.838 1.359 1.00 0.00 H new ATOM 0 HA TYR A 91 5.386 12.797 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.757 11.130 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.534 9.934 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.508 9.203 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.967 11.760 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.907 8.684 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.368 11.247 3.247 1.00 0.00 H new ATOM 0 HH TYR A 91 11.044 10.134 2.338 1.00 0.00 H new ATOM 1414 N GLN A 92 5.999 11.871 -1.599 1.00 0.00 N ATOM 1415 CA GLN A 92 6.293 11.469 -2.969 1.00 0.00 C ATOM 1416 C GLN A 92 7.593 10.675 -3.036 1.00 0.00 C ATOM 1417 O GLN A 92 8.683 11.237 -2.921 1.00 0.00 O ATOM 1418 CB GLN A 92 6.385 12.698 -3.875 1.00 0.00 C ATOM 1419 CG GLN A 92 5.266 13.703 -3.653 1.00 0.00 C ATOM 1420 CD GLN A 92 5.404 14.933 -4.527 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.991 14.934 -5.687 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.988 15.990 -3.975 1.00 0.00 N ATOM 0 H GLN A 92 6.694 12.490 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 92 5.480 10.831 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.343 13.191 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.370 12.374 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.308 13.224 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.257 14.005 -2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.316 15.946 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.109 16.846 -4.516 1.00 0.00 H new ATOM 1431 N LEU A 93 7.471 9.365 -3.223 1.00 0.00 N ATOM 1432 CA LEU A 93 8.638 8.492 -3.305 1.00 0.00 C ATOM 1433 C LEU A 93 9.594 8.964 -4.396 1.00 0.00 C ATOM 1434 O LEU A 93 9.169 9.334 -5.489 1.00 0.00 O ATOM 1435 CB LEU A 93 8.203 7.052 -3.580 1.00 0.00 C ATOM 1436 CG LEU A 93 7.176 6.464 -2.611 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.825 5.038 -3.005 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.703 6.510 -1.184 1.00 0.00 C ATOM 0 H LEU A 93 6.577 8.884 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 93 9.159 8.531 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.791 7.004 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.089 6.417 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 93 6.269 7.067 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.093 4.637 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.406 5.031 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.724 4.423 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.960 6.088 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.624 5.931 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.903 7.544 -0.903 1.00 0.00 H new ATOM 1450 N GLN A 94 10.888 8.944 -4.090 1.00 0.00 N ATOM 1451 CA GLN A 94 11.904 9.368 -5.045 1.00 0.00 C ATOM 1452 C GLN A 94 12.371 8.194 -5.901 1.00 0.00 C ATOM 1453 O GLN A 94 12.008 8.084 -7.072 1.00 0.00 O ATOM 1454 CB GLN A 94 13.097 9.986 -4.313 1.00 0.00 C ATOM 1455 CG GLN A 94 12.759 11.272 -3.577 1.00 0.00 C ATOM 1456 CD GLN A 94 12.498 12.431 -4.519 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.308 12.727 -5.398 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.362 13.096 -4.340 1.00 0.00 N ATOM 0 H GLN A 94 11.256 8.639 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 94 11.460 10.118 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.490 9.261 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.890 10.187 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.879 11.109 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.580 11.530 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.719 12.817 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.133 13.886 -4.943 1.00 0.00 H new ATOM 1467 N ASP A 95 13.177 7.320 -5.308 1.00 0.00 N ATOM 1468 CA ASP A 95 13.692 6.154 -6.016 1.00 0.00 C ATOM 1469 C ASP A 95 14.291 5.147 -5.039 1.00 0.00 C ATOM 1470 O ASP A 95 14.538 5.467 -3.877 1.00 0.00 O ATOM 1471 CB ASP A 95 14.746 6.577 -7.041 1.00 0.00 C ATOM 1472 CG ASP A 95 15.999 7.127 -6.389 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.889 8.110 -5.627 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.091 6.575 -6.642 1.00 0.00 O ATOM 0 H ASP A 95 13.488 7.397 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 95 12.860 5.679 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.009 5.721 -7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.323 7.333 -7.703 1.00 0.00 H new ATOM 1479 N GLN A 96 14.520 3.929 -5.519 1.00 0.00 N ATOM 1480 CA GLN A 96 15.088 2.874 -4.687 1.00 0.00 C ATOM 1481 C GLN A 96 14.527 2.937 -3.270 1.00 0.00 C ATOM 1482 O GLN A 96 15.175 2.509 -2.316 1.00 0.00 O ATOM 1483 CB GLN A 96 16.613 2.991 -4.650 1.00 0.00 C ATOM 1484 CG GLN A 96 17.310 2.206 -5.750 1.00 0.00 C ATOM 1485 CD GLN A 96 17.444 2.996 -7.036 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.408 4.227 -7.028 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.598 2.292 -8.151 1.00 0.00 N ATOM 0 H GLN A 96 14.321 3.648 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 96 14.814 1.914 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.891 4.042 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.973 2.642 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.301 1.908 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.752 1.291 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.622 1.273 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.692 2.770 -9.047 1.00 0.00 H new ATOM 1496 N ASP A 97 13.319 3.474 -3.141 1.00 0.00 N ATOM 1497 CA ASP A 97 12.670 3.593 -1.841 1.00 0.00 C ATOM 1498 C ASP A 97 12.009 2.277 -1.442 1.00 0.00 C ATOM 1499 O ASP A 97 11.453 1.570 -2.282 1.00 0.00 O ATOM 1500 CB ASP A 97 11.629 4.713 -1.867 1.00 0.00 C ATOM 1501 CG ASP A 97 12.250 6.085 -1.692 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.240 6.195 -0.939 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.746 7.048 -2.306 1.00 0.00 O ATOM 0 H ASP A 97 12.769 3.834 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 97 13.434 3.835 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.088 4.680 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.898 4.544 -1.076 1.00 0.00 H new ATOM 1508 N SER A 98 12.075 1.955 -0.154 1.00 0.00 N ATOM 1509 CA SER A 98 11.487 0.722 0.357 1.00 0.00 C ATOM 1510 C SER A 98 10.164 1.002 1.062 1.00 0.00 C ATOM 1511 O SER A 98 10.107 1.785 2.011 1.00 0.00 O ATOM 1512 CB SER A 98 12.455 0.031 1.319 1.00 0.00 C ATOM 1513 OG SER A 98 11.838 -1.073 1.958 1.00 0.00 O ATOM 0 H SER A 98 12.530 2.531 0.555 1.00 0.00 H new ATOM 0 HA SER A 98 11.295 0.063 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.336 -0.307 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.798 0.744 2.069 1.00 0.00 H new ATOM 0 HG SER A 98 12.478 -1.498 2.566 1.00 0.00 H new ATOM 1519 N ILE A 99 9.102 0.356 0.592 1.00 0.00 N ATOM 1520 CA ILE A 99 7.779 0.534 1.178 1.00 0.00 C ATOM 1521 C ILE A 99 7.291 -0.752 1.835 1.00 0.00 C ATOM 1522 O ILE A 99 7.193 -1.795 1.187 1.00 0.00 O ATOM 1523 CB ILE A 99 6.751 0.979 0.121 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.404 1.919 -0.894 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.563 1.656 0.789 1.00 0.00 C ATOM 1526 CD1 ILE A 99 8.005 3.159 -0.270 1.00 0.00 C ATOM 0 H ILE A 99 9.132 -0.295 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 99 7.871 1.313 1.935 1.00 0.00 H new ATOM 0 HB ILE A 99 6.392 0.096 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.184 1.377 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.659 2.218 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.845 1.965 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.086 0.958 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.906 2.531 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.450 3.779 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.225 3.723 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.773 2.870 0.447 1.00 0.00 H new ATOM 1538 N LEU A 100 6.985 -0.671 3.125 1.00 0.00 N ATOM 1539 CA LEU A 100 6.505 -1.829 3.872 1.00 0.00 C ATOM 1540 C LEU A 100 5.030 -1.674 4.227 1.00 0.00 C ATOM 1541 O LEU A 100 4.596 -0.610 4.670 1.00 0.00 O ATOM 1542 CB LEU A 100 7.331 -2.018 5.146 1.00 0.00 C ATOM 1543 CG LEU A 100 6.730 -2.942 6.205 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.057 -4.394 5.894 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.234 -2.565 7.590 1.00 0.00 C ATOM 0 H LEU A 100 7.061 0.184 3.676 1.00 0.00 H new ATOM 0 HA LEU A 100 6.617 -2.710 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.310 -2.408 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.495 -1.039 5.597 1.00 0.00 H new ATOM 0 HG LEU A 100 5.647 -2.824 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.621 -5.037 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.646 -4.659 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.139 -4.529 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.796 -3.233 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.320 -2.654 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.948 -1.537 7.814 1.00 0.00 H new ATOM 1557 N PHE A 101 4.264 -2.742 4.032 1.00 0.00 N ATOM 1558 CA PHE A 101 2.838 -2.726 4.333 1.00 0.00 C ATOM 1559 C PHE A 101 2.478 -3.828 5.325 1.00 0.00 C ATOM 1560 O PHE A 101 2.725 -5.008 5.073 1.00 0.00 O ATOM 1561 CB PHE A 101 2.022 -2.893 3.050 1.00 0.00 C ATOM 1562 CG PHE A 101 2.263 -1.807 2.041 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.375 -1.845 1.215 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.378 -0.748 1.917 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.600 -0.847 0.286 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.597 0.253 0.990 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.709 0.203 0.173 1.00 0.00 C ATOM 0 H PHE A 101 4.608 -3.630 3.667 1.00 0.00 H new ATOM 0 HA PHE A 101 2.599 -1.763 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.261 -3.856 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.962 -2.914 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.074 -2.664 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.506 -0.704 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.471 -0.888 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.900 1.073 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.882 0.983 -0.553 1.00 0.00 H new ATOM 1577 N ILE A 102 1.895 -3.435 6.452 1.00 0.00 N ATOM 1578 CA ILE A 102 1.501 -4.389 7.481 1.00 0.00 C ATOM 1579 C ILE A 102 -0.013 -4.410 7.661 1.00 0.00 C ATOM 1580 O ILE A 102 -0.660 -3.363 7.686 1.00 0.00 O ATOM 1581 CB ILE A 102 2.163 -4.065 8.833 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.682 -4.214 8.731 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.609 -4.968 9.925 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.417 -3.795 9.985 1.00 0.00 C ATOM 0 H ILE A 102 1.685 -2.462 6.676 1.00 0.00 H new ATOM 0 HA ILE A 102 1.838 -5.370 7.147 1.00 0.00 H new ATOM 0 HB ILE A 102 1.935 -3.031 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.923 -5.254 8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.042 -3.618 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.087 -4.726 10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.533 -4.816 10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.809 -6.009 9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.489 -3.928 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.207 -2.747 10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.086 -4.408 10.823 1.00 0.00 H new ATOM 1596 N SER A 103 -0.573 -5.609 7.789 1.00 0.00 N ATOM 1597 CA SER A 103 -2.011 -5.766 7.965 1.00 0.00 C ATOM 1598 C SER A 103 -2.333 -6.292 9.361 1.00 0.00 C ATOM 1599 O SER A 103 -1.988 -7.423 9.707 1.00 0.00 O ATOM 1600 CB SER A 103 -2.575 -6.717 6.907 1.00 0.00 C ATOM 1601 OG SER A 103 -3.990 -6.766 6.968 1.00 0.00 O ATOM 0 H SER A 103 -0.052 -6.486 7.774 1.00 0.00 H new ATOM 0 HA SER A 103 -2.476 -4.787 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.262 -6.390 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.167 -7.716 7.057 1.00 0.00 H new ATOM 0 HG SER A 103 -4.326 -7.379 6.281 1.00 0.00 H new ATOM 1607 N THR A 104 -2.998 -5.464 10.160 1.00 0.00 N ATOM 1608 CA THR A 104 -3.366 -5.843 11.518 1.00 0.00 C ATOM 1609 C THR A 104 -4.869 -5.710 11.738 1.00 0.00 C ATOM 1610 O THR A 104 -5.313 -5.119 12.723 1.00 0.00 O ATOM 1611 CB THR A 104 -2.628 -4.982 12.561 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.084 -3.627 12.489 1.00 0.00 O ATOM 1613 CG2 THR A 104 -1.124 -5.030 12.336 1.00 0.00 C ATOM 0 H THR A 104 -3.293 -4.526 9.890 1.00 0.00 H new ATOM 0 HA THR A 104 -3.074 -6.885 11.645 1.00 0.00 H new ATOM 0 HB THR A 104 -2.844 -5.385 13.551 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.020 -3.581 12.777 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.624 -4.415 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.776 -6.059 12.421 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.893 -4.650 11.341 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.648 -6.264 10.815 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.102 -6.208 10.909 1.00 0.00 C ATOM 1623 C LEU A 105 -7.740 -7.390 10.185 1.00 0.00 C ATOM 1624 O LEU A 105 -7.193 -7.901 9.208 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.621 -4.895 10.320 1.00 0.00 C ATOM 1626 CG LEU A 105 -7.962 -4.916 8.830 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.286 -5.625 8.595 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -8.007 -3.500 8.273 1.00 0.00 C ATOM 0 H LEU A 105 -5.297 -6.757 9.994 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.376 -6.260 11.963 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.513 -4.600 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.871 -4.122 10.490 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.181 -5.467 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.512 -5.630 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.218 -6.651 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.078 -5.103 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.251 -3.534 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.767 -2.925 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.035 -3.025 8.407 1.00 0.00 H new ATOM 1640 N HIS A 106 -8.901 -7.818 10.671 1.00 0.00 N ATOM 1641 CA HIS A 106 -9.615 -8.938 10.069 1.00 0.00 C ATOM 1642 C HIS A 106 -11.103 -8.626 9.937 1.00 0.00 C ATOM 1643 O HIS A 106 -11.760 -8.266 10.913 1.00 0.00 O ATOM 1644 CB HIS A 106 -9.419 -10.203 10.904 1.00 0.00 C ATOM 1645 CG HIS A 106 -8.011 -10.398 11.376 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -6.833 -10.282 10.719 1.00 0.00 N flip ATOM 1647 CD2 HIS A 106 -7.694 -10.757 12.668 1.00 0.00 C flip ATOM 1648 CE1 HIS A 106 -5.836 -10.569 11.617 1.00 0.00 C flip ATOM 1649 NE2 HIS A 106 -6.381 -10.853 12.786 1.00 0.00 N flip ATOM 0 H HIS A 106 -9.367 -7.406 11.480 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.207 -9.103 9.072 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.081 -10.163 11.769 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -9.718 -11.068 10.313 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -6.710 -10.028 9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.407 -10.932 13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -4.777 -10.564 11.403 1.00 0.00 H new ATOM 1658 N GLY A 107 -11.628 -8.766 8.724 1.00 0.00 N ATOM 1659 CA GLY A 107 -13.034 -8.495 8.487 1.00 0.00 C ATOM 1660 C GLY A 107 -13.740 -9.648 7.803 1.00 0.00 C ATOM 1661 O GLY A 107 -14.446 -9.454 6.814 1.00 0.00 O ATOM 0 H GLY A 107 -11.104 -9.063 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.525 -8.285 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.130 -7.599 7.873 1.00 0.00 H new ATOM 1665 N GLY A 108 -13.547 -10.854 8.328 1.00 0.00 N ATOM 1666 CA GLY A 108 -14.176 -12.026 7.747 1.00 0.00 C ATOM 1667 C GLY A 108 -14.869 -12.887 8.785 1.00 0.00 C ATOM 1668 O GLY A 108 -14.775 -12.622 9.983 1.00 0.00 O ATOM 0 H GLY A 108 -12.966 -11.040 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.902 -11.711 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.422 -12.621 7.231 1.00 0.00 H new ATOM 1672 N SER A 109 -15.569 -13.919 8.324 1.00 0.00 N ATOM 1673 CA SER A 109 -16.285 -14.818 9.220 1.00 0.00 C ATOM 1674 C SER A 109 -15.534 -16.135 9.383 1.00 0.00 C ATOM 1675 O SER A 109 -15.136 -16.503 10.488 1.00 0.00 O ATOM 1676 CB SER A 109 -17.695 -15.084 8.690 1.00 0.00 C ATOM 1677 OG SER A 109 -18.521 -15.648 9.695 1.00 0.00 O ATOM 0 H SER A 109 -15.655 -14.153 7.335 1.00 0.00 H new ATOM 0 HA SER A 109 -16.356 -14.338 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.135 -14.152 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.644 -15.759 7.836 1.00 0.00 H new ATOM 0 HG SER A 109 -19.417 -15.807 9.331 1.00 0.00 H new ATOM 1683 N GLY A 110 -15.343 -16.842 8.273 1.00 0.00 N ATOM 1684 CA GLY A 110 -14.640 -18.111 8.313 1.00 0.00 C ATOM 1685 C GLY A 110 -14.725 -18.863 7.000 1.00 0.00 C ATOM 1686 O GLY A 110 -15.781 -19.369 6.617 1.00 0.00 O ATOM 0 H GLY A 110 -15.663 -16.558 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.593 -17.935 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.056 -18.728 9.109 1.00 0.00 H new ATOM 1690 N PRO A 111 -13.594 -18.942 6.284 1.00 0.00 N ATOM 1691 CA PRO A 111 -13.520 -19.635 4.994 1.00 0.00 C ATOM 1692 C PRO A 111 -13.649 -21.147 5.140 1.00 0.00 C ATOM 1693 O PRO A 111 -13.559 -21.885 4.159 1.00 0.00 O ATOM 1694 CB PRO A 111 -12.129 -19.266 4.473 1.00 0.00 C ATOM 1695 CG PRO A 111 -11.333 -18.963 5.696 1.00 0.00 C ATOM 1696 CD PRO A 111 -12.299 -18.363 6.680 1.00 0.00 C ATOM 0 HA PRO A 111 -14.332 -19.343 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.688 -20.087 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.172 -18.405 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -10.877 -19.867 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.522 -18.269 5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -12.040 -18.623 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -12.310 -17.275 6.619 1.00 0.00 H new ATOM 1704 N SER A 112 -13.863 -21.603 6.371 1.00 0.00 N ATOM 1705 CA SER A 112 -14.002 -23.028 6.645 1.00 0.00 C ATOM 1706 C SER A 112 -14.706 -23.737 5.492 1.00 0.00 C ATOM 1707 O SER A 112 -14.274 -24.800 5.047 1.00 0.00 O ATOM 1708 CB SER A 112 -14.781 -23.245 7.944 1.00 0.00 C ATOM 1709 OG SER A 112 -14.279 -22.423 8.983 1.00 0.00 O ATOM 0 H SER A 112 -13.944 -21.006 7.194 1.00 0.00 H new ATOM 0 HA SER A 112 -13.003 -23.451 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.836 -23.026 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.716 -24.292 8.240 1.00 0.00 H new ATOM 0 HG SER A 112 -14.795 -22.579 9.802 1.00 0.00 H new ATOM 1715 N SER A 113 -15.792 -23.140 5.013 1.00 0.00 N ATOM 1716 CA SER A 113 -16.559 -23.715 3.915 1.00 0.00 C ATOM 1717 C SER A 113 -17.375 -22.641 3.201 1.00 0.00 C ATOM 1718 O SER A 113 -17.461 -21.503 3.660 1.00 0.00 O ATOM 1719 CB SER A 113 -17.487 -24.816 4.433 1.00 0.00 C ATOM 1720 OG SER A 113 -16.753 -25.972 4.797 1.00 0.00 O ATOM 0 H SER A 113 -16.161 -22.258 5.368 1.00 0.00 H new ATOM 0 HA SER A 113 -15.857 -24.148 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.045 -24.450 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.217 -25.072 3.665 1.00 0.00 H new ATOM 0 HG SER A 113 -15.804 -25.743 4.883 1.00 0.00 H new ATOM 1726 N GLY A 114 -17.973 -23.013 2.073 1.00 0.00 N ATOM 1727 CA GLY A 114 -18.774 -22.072 1.313 1.00 0.00 C ATOM 1728 C GLY A 114 -20.257 -22.371 1.398 1.00 0.00 C ATOM 1729 O GLY A 114 -20.845 -22.326 2.478 1.00 0.00 O ATOM 0 H GLY A 114 -17.917 -23.949 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.589 -21.063 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.461 -22.094 0.269 1.00 0.00 H new TER 1733 GLY A 114