USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 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+ -117:sc= 0.058 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.128 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.68 K(o=-1.7,f=-9.5!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -39:sc= 1.25 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00709) USER MOD Single : A 51 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.088) USER MOD Single : A 54 HIS : no HD1:sc=-0.00198 X(o=-0.002,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.0195 (180deg=-0.227) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 82:sc= 1.52 USER MOD Single : A 80 SER OG : rot 39:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -23:sc= -0.769 USER MOD Single : A 92 HIS : no HE2:sc= -2.5! K(o=-2.5!,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= -0.418 (180deg=-2.57!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 145:sc= -0.766 (180deg=-2.65!) USER MOD Single : A 103 ASN : amide:sc= -2.42 K(o=-2.4,f=-8.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 114 THR OG1 : rot 21:sc= 0.196 USER MOD Single : A 115 LYS NZ :NH3+ -136:sc= -0.0391 (180deg=-0.941) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.326 -21.341 13.856 1.00 0.00 N ATOM 2 CA GLY A 1 -9.030 -21.254 13.209 1.00 0.00 C ATOM 3 C GLY A 1 -8.994 -20.195 12.125 1.00 0.00 C ATOM 4 O GLY A 1 -10.038 -19.721 11.676 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.229 -21.094 14.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.987 -20.681 13.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.692 -22.311 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.268 -21.031 13.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.778 -22.222 12.776 1.00 0.00 H new ATOM 8 N SER A 2 -7.790 -19.822 11.704 1.00 0.00 N ATOM 9 CA SER A 2 -7.622 -18.808 10.669 1.00 0.00 C ATOM 10 C SER A 2 -7.484 -19.453 9.294 1.00 0.00 C ATOM 11 O SER A 2 -6.444 -20.024 8.966 1.00 0.00 O ATOM 12 CB SER A 2 -6.394 -17.945 10.966 1.00 0.00 C ATOM 13 OG SER A 2 -6.683 -16.966 11.949 1.00 0.00 O ATOM 0 H SER A 2 -6.916 -20.207 12.063 1.00 0.00 H new ATOM 0 HA SER A 2 -8.510 -18.176 10.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.575 -18.578 11.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.058 -17.457 10.051 1.00 0.00 H new ATOM 0 HG SER A 2 -5.881 -16.429 12.122 1.00 0.00 H new ATOM 19 N SER A 3 -8.540 -19.357 8.493 1.00 0.00 N ATOM 20 CA SER A 3 -8.540 -19.934 7.154 1.00 0.00 C ATOM 21 C SER A 3 -7.760 -19.053 6.183 1.00 0.00 C ATOM 22 O SER A 3 -8.082 -17.881 5.994 1.00 0.00 O ATOM 23 CB SER A 3 -9.974 -20.117 6.654 1.00 0.00 C ATOM 24 OG SER A 3 -10.014 -20.957 5.514 1.00 0.00 O ATOM 0 H SER A 3 -9.407 -18.885 8.748 1.00 0.00 H new ATOM 0 HA SER A 3 -8.054 -20.908 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.587 -20.546 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.404 -19.146 6.409 1.00 0.00 H new ATOM 0 HG SER A 3 -10.942 -21.059 5.215 1.00 0.00 H new ATOM 30 N GLY A 4 -6.729 -19.628 5.570 1.00 0.00 N ATOM 31 CA GLY A 4 -5.918 -18.882 4.626 1.00 0.00 C ATOM 32 C GLY A 4 -4.433 -19.080 4.855 1.00 0.00 C ATOM 33 O GLY A 4 -3.995 -19.295 5.985 1.00 0.00 O ATOM 0 H GLY A 4 -6.442 -20.597 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.170 -19.191 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.157 -17.821 4.705 1.00 0.00 H new ATOM 37 N SER A 5 -3.655 -19.009 3.779 1.00 0.00 N ATOM 38 CA SER A 5 -2.211 -19.188 3.866 1.00 0.00 C ATOM 39 C SER A 5 -1.478 -18.002 3.246 1.00 0.00 C ATOM 40 O SER A 5 -0.576 -17.428 3.856 1.00 0.00 O ATOM 41 CB SER A 5 -1.793 -20.483 3.168 1.00 0.00 C ATOM 42 OG SER A 5 -1.914 -21.594 4.038 1.00 0.00 O ATOM 0 H SER A 5 -4.001 -18.829 2.837 1.00 0.00 H new ATOM 0 HA SER A 5 -1.940 -19.249 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.412 -20.640 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.762 -20.398 2.824 1.00 0.00 H new ATOM 0 HG SER A 5 -1.642 -22.409 3.567 1.00 0.00 H new ATOM 48 N SER A 6 -1.873 -17.641 2.029 1.00 0.00 N ATOM 49 CA SER A 6 -1.252 -16.527 1.323 1.00 0.00 C ATOM 50 C SER A 6 -1.326 -15.249 2.153 1.00 0.00 C ATOM 51 O SER A 6 -0.351 -14.505 2.257 1.00 0.00 O ATOM 52 CB SER A 6 -1.932 -16.310 -0.030 1.00 0.00 C ATOM 53 OG SER A 6 -3.213 -15.725 0.131 1.00 0.00 O ATOM 0 H SER A 6 -2.620 -18.104 1.512 1.00 0.00 H new ATOM 0 HA SER A 6 -0.203 -16.773 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.311 -15.667 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.027 -17.263 -0.550 1.00 0.00 H new ATOM 0 HG SER A 6 -3.626 -15.595 -0.748 1.00 0.00 H new ATOM 59 N GLY A 7 -2.492 -15.000 2.743 1.00 0.00 N ATOM 60 CA GLY A 7 -2.673 -13.812 3.556 1.00 0.00 C ATOM 61 C GLY A 7 -3.739 -13.994 4.618 1.00 0.00 C ATOM 62 O GLY A 7 -4.694 -14.747 4.428 1.00 0.00 O ATOM 0 H GLY A 7 -3.314 -15.600 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.728 -13.555 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.943 -12.974 2.914 1.00 0.00 H new ATOM 66 N LYS A 8 -3.576 -13.303 5.742 1.00 0.00 N ATOM 67 CA LYS A 8 -4.532 -13.392 6.840 1.00 0.00 C ATOM 68 C LYS A 8 -4.942 -12.002 7.317 1.00 0.00 C ATOM 69 O LYS A 8 -4.183 -11.038 7.223 1.00 0.00 O ATOM 70 CB LYS A 8 -3.931 -14.185 8.003 1.00 0.00 C ATOM 71 CG LYS A 8 -2.779 -13.475 8.692 1.00 0.00 C ATOM 72 CD LYS A 8 -1.913 -14.448 9.475 1.00 0.00 C ATOM 73 CE LYS A 8 -2.447 -14.659 10.884 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.363 -15.017 11.840 1.00 0.00 N ATOM 0 H LYS A 8 -2.791 -12.675 5.916 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.420 -13.909 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.712 -14.388 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.583 -15.149 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.170 -12.961 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.171 -12.712 9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.874 -15.404 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.892 -14.070 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.945 -13.751 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.198 -15.449 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.767 -15.152 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.904 -15.897 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.659 -14.252 11.870 1.00 0.00 H new ATOM 88 N PRO A 9 -6.172 -11.895 7.842 1.00 0.00 N ATOM 89 CA PRO A 9 -6.710 -10.628 8.345 1.00 0.00 C ATOM 90 C PRO A 9 -6.017 -10.172 9.625 1.00 0.00 C ATOM 91 O PRO A 9 -5.118 -10.844 10.129 1.00 0.00 O ATOM 92 CB PRO A 9 -8.181 -10.951 8.620 1.00 0.00 C ATOM 93 CG PRO A 9 -8.207 -12.421 8.859 1.00 0.00 C ATOM 94 CD PRO A 9 -7.131 -13.003 7.985 1.00 0.00 C ATOM 0 HA PRO A 9 -6.564 -9.813 7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.552 -10.402 9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.812 -10.676 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.022 -12.649 9.909 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.182 -12.840 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.669 -13.877 8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.525 -13.321 7.020 1.00 0.00 H new ATOM 102 N ASN A 10 -6.442 -9.025 10.146 1.00 0.00 N ATOM 103 CA ASN A 10 -5.862 -8.480 11.368 1.00 0.00 C ATOM 104 C ASN A 10 -6.935 -7.834 12.238 1.00 0.00 C ATOM 105 O ASN A 10 -8.125 -7.896 11.925 1.00 0.00 O ATOM 106 CB ASN A 10 -4.779 -7.453 11.029 1.00 0.00 C ATOM 107 CG ASN A 10 -5.322 -6.279 10.238 1.00 0.00 C ATOM 108 OD1 ASN A 10 -6.416 -5.785 10.512 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.558 -5.827 9.250 1.00 0.00 N ATOM 0 H ASN A 10 -7.185 -8.456 9.741 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.413 -9.302 11.926 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.327 -7.088 11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.988 -7.938 10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.871 -5.039 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.658 -6.267 9.059 1.00 0.00 H new ATOM 116 N LEU A 11 -6.507 -7.213 13.333 1.00 0.00 N ATOM 117 CA LEU A 11 -7.431 -6.555 14.249 1.00 0.00 C ATOM 118 C LEU A 11 -7.904 -5.220 13.681 1.00 0.00 C ATOM 119 O LEU A 11 -7.885 -4.200 14.368 1.00 0.00 O ATOM 120 CB LEU A 11 -6.763 -6.335 15.608 1.00 0.00 C ATOM 121 CG LEU A 11 -6.578 -7.582 16.474 1.00 0.00 C ATOM 122 CD1 LEU A 11 -5.453 -7.375 17.475 1.00 0.00 C ATOM 123 CD2 LEU A 11 -7.875 -7.930 17.191 1.00 0.00 C ATOM 0 H LEU A 11 -5.526 -7.152 13.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.299 -7.202 14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.785 -5.885 15.441 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.355 -5.612 16.169 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.310 -8.415 15.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.336 -8.273 18.082 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.524 -7.174 16.942 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.691 -6.529 18.120 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.725 -8.820 17.803 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.173 -7.098 17.828 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.657 -8.122 16.456 1.00 0.00 H new ATOM 135 N GLY A 12 -8.329 -5.237 12.421 1.00 0.00 N ATOM 136 CA GLY A 12 -8.803 -4.023 11.782 1.00 0.00 C ATOM 137 C GLY A 12 -9.464 -4.291 10.445 1.00 0.00 C ATOM 138 O GLY A 12 -9.382 -3.474 9.529 1.00 0.00 O ATOM 0 H GLY A 12 -8.353 -6.069 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.513 -3.523 12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.965 -3.341 11.639 1.00 0.00 H new ATOM 142 N ASN A 13 -10.121 -5.441 10.332 1.00 0.00 N ATOM 143 CA ASN A 13 -10.797 -5.817 9.095 1.00 0.00 C ATOM 144 C ASN A 13 -9.895 -5.578 7.888 1.00 0.00 C ATOM 145 O ASN A 13 -10.350 -5.120 6.841 1.00 0.00 O ATOM 146 CB ASN A 13 -12.097 -5.024 8.940 1.00 0.00 C ATOM 147 CG ASN A 13 -13.062 -5.266 10.084 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.439 -6.405 10.363 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.468 -4.193 10.752 1.00 0.00 N ATOM 0 H ASN A 13 -10.200 -6.128 11.081 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.031 -6.880 9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.866 -3.960 8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.576 -5.298 8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.118 -4.293 11.531 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.130 -3.268 10.486 1.00 0.00 H new ATOM 156 N GLY A 14 -8.613 -5.893 8.043 1.00 0.00 N ATOM 157 CA GLY A 14 -7.667 -5.707 6.958 1.00 0.00 C ATOM 158 C GLY A 14 -6.911 -6.978 6.623 1.00 0.00 C ATOM 159 O GLY A 14 -7.487 -8.066 6.612 1.00 0.00 O ATOM 0 H GLY A 14 -8.212 -6.274 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.199 -5.360 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.957 -4.926 7.229 1.00 0.00 H new ATOM 163 N ALA A 15 -5.618 -6.840 6.348 1.00 0.00 N ATOM 164 CA ALA A 15 -4.783 -7.986 6.011 1.00 0.00 C ATOM 165 C ALA A 15 -3.342 -7.766 6.460 1.00 0.00 C ATOM 166 O ALA A 15 -2.686 -6.817 6.029 1.00 0.00 O ATOM 167 CB ALA A 15 -4.836 -8.257 4.515 1.00 0.00 C ATOM 0 H ALA A 15 -5.126 -5.946 6.352 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.173 -8.856 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.208 -9.116 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.864 -8.467 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.474 -7.383 3.974 1.00 0.00 H new ATOM 173 N ASP A 16 -2.856 -8.647 7.327 1.00 0.00 N ATOM 174 CA ASP A 16 -1.492 -8.549 7.834 1.00 0.00 C ATOM 175 C ASP A 16 -0.504 -9.183 6.860 1.00 0.00 C ATOM 176 O ASP A 16 -0.445 -10.406 6.727 1.00 0.00 O ATOM 177 CB ASP A 16 -1.384 -9.224 9.202 1.00 0.00 C ATOM 178 CG ASP A 16 -0.025 -9.020 9.843 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.383 -7.852 10.010 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.630 -10.029 10.177 1.00 0.00 O ATOM 0 H ASP A 16 -3.386 -9.437 7.694 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.244 -7.493 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.156 -8.828 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.574 -10.292 9.093 1.00 0.00 H new ATOM 185 N LEU A 17 0.271 -8.344 6.182 1.00 0.00 N ATOM 186 CA LEU A 17 1.257 -8.821 5.219 1.00 0.00 C ATOM 187 C LEU A 17 2.671 -8.681 5.773 1.00 0.00 C ATOM 188 O LEU A 17 2.959 -7.811 6.595 1.00 0.00 O ATOM 189 CB LEU A 17 1.133 -8.048 3.905 1.00 0.00 C ATOM 190 CG LEU A 17 -0.286 -7.665 3.483 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.269 -6.402 2.636 1.00 0.00 C ATOM 192 CD2 LEU A 17 -0.944 -8.809 2.726 1.00 0.00 C ATOM 0 H LEU A 17 0.236 -7.329 6.281 1.00 0.00 H new ATOM 0 HA LEU A 17 1.063 -9.877 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.725 -7.136 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.577 -8.648 3.111 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.871 -7.467 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.288 -6.145 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.161 -5.583 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.332 -6.571 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.953 -8.519 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.360 -9.039 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.991 -9.690 3.367 1.00 0.00 H new ATOM 204 N PRO A 18 3.577 -9.557 5.312 1.00 0.00 N ATOM 205 CA PRO A 18 4.977 -9.549 5.746 1.00 0.00 C ATOM 206 C PRO A 18 5.740 -8.336 5.224 1.00 0.00 C ATOM 207 O PRO A 18 6.798 -7.986 5.743 1.00 0.00 O ATOM 208 CB PRO A 18 5.543 -10.837 5.142 1.00 0.00 C ATOM 209 CG PRO A 18 4.676 -11.115 3.962 1.00 0.00 C ATOM 210 CD PRO A 18 3.304 -10.621 4.332 1.00 0.00 C ATOM 0 HA PRO A 18 5.066 -9.495 6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.585 -10.711 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.511 -11.658 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.049 -10.604 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.659 -12.180 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.767 -10.239 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.693 -11.415 4.761 1.00 0.00 H new ATOM 218 N ASN A 19 5.193 -7.698 4.193 1.00 0.00 N ATOM 219 CA ASN A 19 5.823 -6.524 3.601 1.00 0.00 C ATOM 220 C ASN A 19 5.288 -5.243 4.233 1.00 0.00 C ATOM 221 O ASN A 19 5.999 -4.243 4.332 1.00 0.00 O ATOM 222 CB ASN A 19 5.583 -6.498 2.090 1.00 0.00 C ATOM 223 CG ASN A 19 6.417 -7.529 1.355 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.287 -8.731 1.589 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.280 -7.063 0.460 1.00 0.00 N ATOM 0 H ASN A 19 4.316 -7.974 3.751 1.00 0.00 H new ATOM 0 HA ASN A 19 6.895 -6.583 3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.527 -6.679 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.815 -5.505 1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.868 -7.709 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.355 -6.059 0.298 1.00 0.00 H new ATOM 232 N TYR A 20 4.031 -5.281 4.661 1.00 0.00 N ATOM 233 CA TYR A 20 3.399 -4.123 5.283 1.00 0.00 C ATOM 234 C TYR A 20 2.011 -4.476 5.809 1.00 0.00 C ATOM 235 O TYR A 20 1.409 -5.464 5.389 1.00 0.00 O ATOM 236 CB TYR A 20 3.299 -2.971 4.281 1.00 0.00 C ATOM 237 CG TYR A 20 2.887 -3.409 2.894 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.584 -3.813 2.630 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.800 -3.420 1.847 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.203 -4.215 1.365 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.428 -3.818 0.578 1.00 0.00 C ATOM 242 CZ TYR A 20 2.128 -4.215 0.342 1.00 0.00 C ATOM 243 OH TYR A 20 1.753 -4.614 -0.921 1.00 0.00 O ATOM 0 H TYR A 20 3.429 -6.101 4.589 1.00 0.00 H new ATOM 0 HA TYR A 20 4.018 -3.812 6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.580 -2.240 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.264 -2.467 4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.856 -3.813 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.819 -3.112 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.186 -4.528 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.150 -3.818 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 20 2.522 -4.554 -1.525 1.00 0.00 H new ATOM 253 N ARG A 21 1.510 -3.660 6.730 1.00 0.00 N ATOM 254 CA ARG A 21 0.194 -3.885 7.315 1.00 0.00 C ATOM 255 C ARG A 21 -0.745 -2.723 7.005 1.00 0.00 C ATOM 256 O ARG A 21 -0.415 -1.563 7.253 1.00 0.00 O ATOM 257 CB ARG A 21 0.310 -4.071 8.829 1.00 0.00 C ATOM 258 CG ARG A 21 1.205 -3.044 9.502 1.00 0.00 C ATOM 259 CD ARG A 21 2.645 -3.524 9.579 1.00 0.00 C ATOM 260 NE ARG A 21 3.349 -2.963 10.729 1.00 0.00 N ATOM 261 CZ ARG A 21 3.949 -1.778 10.717 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.931 -1.033 9.620 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.570 -1.336 11.803 1.00 0.00 N ATOM 0 H ARG A 21 1.995 -2.837 7.087 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.221 -4.792 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.685 -4.018 9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.697 -5.069 9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.162 -2.105 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.834 -2.840 10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.661 -4.612 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.168 -3.248 8.664 1.00 0.00 H new ATOM 0 HE ARG A 21 3.382 -3.511 11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.456 -1.370 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.393 -0.123 9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.587 -1.906 12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.030 -0.426 11.792 1.00 0.00 H new ATOM 277 N TRP A 22 -1.914 -3.042 6.462 1.00 0.00 N ATOM 278 CA TRP A 22 -2.900 -2.024 6.118 1.00 0.00 C ATOM 279 C TRP A 22 -4.295 -2.442 6.570 1.00 0.00 C ATOM 280 O TRP A 22 -4.704 -3.588 6.379 1.00 0.00 O ATOM 281 CB TRP A 22 -2.895 -1.770 4.610 1.00 0.00 C ATOM 282 CG TRP A 22 -3.441 -2.915 3.812 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.728 -3.799 3.053 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.815 -3.298 3.692 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.576 -4.709 2.470 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.862 -4.424 2.846 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.010 -2.802 4.219 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.057 -5.057 2.516 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.196 -3.432 3.890 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.212 -4.550 3.046 1.00 0.00 C ATOM 0 H TRP A 22 -2.202 -3.997 6.250 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.631 -1.104 6.636 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.482 -0.876 4.398 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.874 -1.566 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.655 -3.785 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.294 -5.473 1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.007 -1.942 4.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.072 -5.918 1.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.126 -3.056 4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.155 -5.021 2.809 1.00 0.00 H new ATOM 301 N THR A 23 -5.023 -1.506 7.172 1.00 0.00 N ATOM 302 CA THR A 23 -6.371 -1.778 7.652 1.00 0.00 C ATOM 303 C THR A 23 -7.396 -0.900 6.943 1.00 0.00 C ATOM 304 O THR A 23 -7.052 0.140 6.382 1.00 0.00 O ATOM 305 CB THR A 23 -6.483 -1.551 9.172 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.194 -0.184 9.486 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.526 -2.463 9.926 1.00 0.00 C ATOM 0 H THR A 23 -4.701 -0.553 7.338 1.00 0.00 H new ATOM 0 HA THR A 23 -6.579 -2.825 7.431 1.00 0.00 H new ATOM 0 HB THR A 23 -7.502 -1.786 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.269 -0.048 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.622 -2.286 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.767 -3.503 9.707 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.503 -2.254 9.614 1.00 0.00 H new ATOM 315 N GLN A 24 -8.654 -1.325 6.972 1.00 0.00 N ATOM 316 CA GLN A 24 -9.728 -0.576 6.331 1.00 0.00 C ATOM 317 C GLN A 24 -10.953 -0.498 7.236 1.00 0.00 C ATOM 318 O GLN A 24 -11.356 -1.492 7.842 1.00 0.00 O ATOM 319 CB GLN A 24 -10.105 -1.224 4.997 1.00 0.00 C ATOM 320 CG GLN A 24 -10.821 -2.556 5.149 1.00 0.00 C ATOM 321 CD GLN A 24 -10.553 -3.498 3.991 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.077 -3.081 2.934 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.858 -4.776 4.184 1.00 0.00 N ATOM 0 H GLN A 24 -8.955 -2.184 7.432 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.370 0.437 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.743 -0.540 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.201 -1.372 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.505 -3.030 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.894 -2.381 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.250 -5.078 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.700 -5.456 3.440 1.00 0.00 H new ATOM 332 N THR A 25 -11.543 0.690 7.324 1.00 0.00 N ATOM 333 CA THR A 25 -12.722 0.899 8.156 1.00 0.00 C ATOM 334 C THR A 25 -13.792 1.685 7.407 1.00 0.00 C ATOM 335 O THR A 25 -13.482 2.576 6.615 1.00 0.00 O ATOM 336 CB THR A 25 -12.367 1.646 9.455 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.919 2.972 9.151 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.286 0.905 10.228 1.00 0.00 C ATOM 0 H THR A 25 -11.223 1.523 6.829 1.00 0.00 H new ATOM 0 HA THR A 25 -13.110 -0.088 8.407 1.00 0.00 H new ATOM 0 HB THR A 25 -13.263 1.698 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.366 2.953 8.342 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.052 1.452 11.141 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.641 -0.093 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.389 0.825 9.613 1.00 0.00 H new ATOM 346 N LEU A 26 -15.052 1.350 7.662 1.00 0.00 N ATOM 347 CA LEU A 26 -16.169 2.026 7.012 1.00 0.00 C ATOM 348 C LEU A 26 -15.871 3.509 6.819 1.00 0.00 C ATOM 349 O LEU A 26 -16.354 4.132 5.874 1.00 0.00 O ATOM 350 CB LEU A 26 -17.445 1.854 7.838 1.00 0.00 C ATOM 351 CG LEU A 26 -18.244 0.576 7.581 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.409 0.471 8.554 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.742 0.539 6.144 1.00 0.00 C ATOM 0 H LEU A 26 -15.325 0.615 8.314 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.314 1.573 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.177 1.885 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.094 2.709 7.649 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.587 -0.279 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.967 -0.445 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.029 0.451 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.067 1.331 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.309 -0.377 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.383 1.401 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.891 0.567 5.463 1.00 0.00 H new ATOM 365 N ALA A 27 -15.069 4.069 7.719 1.00 0.00 N ATOM 366 CA ALA A 27 -14.703 5.477 7.645 1.00 0.00 C ATOM 367 C ALA A 27 -13.638 5.712 6.580 1.00 0.00 C ATOM 368 O ALA A 27 -13.897 6.351 5.561 1.00 0.00 O ATOM 369 CB ALA A 27 -14.213 5.967 9.000 1.00 0.00 C ATOM 0 H ALA A 27 -14.661 3.568 8.508 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.591 6.043 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.943 7.021 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.004 5.844 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.340 5.388 9.302 1.00 0.00 H new ATOM 375 N GLU A 28 -12.439 5.192 6.823 1.00 0.00 N ATOM 376 CA GLU A 28 -11.334 5.347 5.883 1.00 0.00 C ATOM 377 C GLU A 28 -10.387 4.153 5.955 1.00 0.00 C ATOM 378 O GLU A 28 -10.561 3.257 6.782 1.00 0.00 O ATOM 379 CB GLU A 28 -10.567 6.639 6.173 1.00 0.00 C ATOM 380 CG GLU A 28 -9.963 6.689 7.566 1.00 0.00 C ATOM 381 CD GLU A 28 -8.696 5.864 7.683 1.00 0.00 C ATOM 382 OE1 GLU A 28 -7.727 6.158 6.952 1.00 0.00 O ATOM 383 OE2 GLU A 28 -8.674 4.924 8.505 1.00 0.00 O ATOM 0 H GLU A 28 -12.208 4.660 7.662 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.750 5.398 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.771 6.752 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.240 7.487 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.743 7.725 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.695 6.328 8.288 1.00 0.00 H new ATOM 390 N LEU A 29 -9.386 4.147 5.082 1.00 0.00 N ATOM 391 CA LEU A 29 -8.410 3.063 5.044 1.00 0.00 C ATOM 392 C LEU A 29 -7.029 3.559 5.461 1.00 0.00 C ATOM 393 O LEU A 29 -6.602 4.643 5.063 1.00 0.00 O ATOM 394 CB LEU A 29 -8.345 2.457 3.641 1.00 0.00 C ATOM 395 CG LEU A 29 -7.964 0.978 3.566 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.566 0.334 2.327 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.450 0.817 3.571 1.00 0.00 C ATOM 0 H LEU A 29 -9.229 4.880 4.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.729 2.296 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.318 2.586 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.625 3.027 3.054 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.366 0.473 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.284 -0.718 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.652 0.418 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.194 0.840 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.197 -0.242 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.026 1.336 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.042 1.242 4.488 1.00 0.00 H new ATOM 409 N ASP A 30 -6.335 2.758 6.261 1.00 0.00 N ATOM 410 CA ASP A 30 -5.000 3.113 6.729 1.00 0.00 C ATOM 411 C ASP A 30 -3.956 2.148 6.177 1.00 0.00 C ATOM 412 O ASP A 30 -4.271 1.010 5.827 1.00 0.00 O ATOM 413 CB ASP A 30 -4.956 3.114 8.258 1.00 0.00 C ATOM 414 CG ASP A 30 -6.034 3.986 8.868 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.013 5.212 8.629 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.901 3.443 9.585 1.00 0.00 O ATOM 0 H ASP A 30 -6.675 1.858 6.599 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.769 4.115 6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.070 2.093 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.979 3.464 8.590 1.00 0.00 H new ATOM 421 N LEU A 31 -2.713 2.609 6.101 1.00 0.00 N ATOM 422 CA LEU A 31 -1.621 1.787 5.591 1.00 0.00 C ATOM 423 C LEU A 31 -0.311 2.121 6.298 1.00 0.00 C ATOM 424 O LEU A 31 -0.049 3.278 6.626 1.00 0.00 O ATOM 425 CB LEU A 31 -1.466 1.989 4.083 1.00 0.00 C ATOM 426 CG LEU A 31 -0.059 1.788 3.520 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.339 0.322 3.587 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.021 2.299 2.088 1.00 0.00 C ATOM 0 H LEU A 31 -2.436 3.548 6.386 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.863 0.743 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.141 1.302 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.793 2.999 3.836 1.00 0.00 H new ATOM 0 HG LEU A 31 0.640 2.361 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.343 0.199 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.323 -0.012 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.363 -0.273 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.030 2.148 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.690 1.754 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.220 3.362 2.067 1.00 0.00 H new ATOM 440 N ALA A 32 0.509 1.101 6.527 1.00 0.00 N ATOM 441 CA ALA A 32 1.793 1.287 7.190 1.00 0.00 C ATOM 442 C ALA A 32 2.862 0.387 6.580 1.00 0.00 C ATOM 443 O ALA A 32 2.845 -0.830 6.768 1.00 0.00 O ATOM 444 CB ALA A 32 1.661 1.016 8.681 1.00 0.00 C ATOM 0 H ALA A 32 0.307 0.137 6.263 1.00 0.00 H new ATOM 0 HA ALA A 32 2.101 2.322 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.628 1.159 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.935 1.704 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.326 -0.010 8.836 1.00 0.00 H new ATOM 450 N VAL A 33 3.791 0.992 5.847 1.00 0.00 N ATOM 451 CA VAL A 33 4.868 0.245 5.208 1.00 0.00 C ATOM 452 C VAL A 33 6.186 0.439 5.950 1.00 0.00 C ATOM 453 O VAL A 33 6.843 1.474 5.840 1.00 0.00 O ATOM 454 CB VAL A 33 5.052 0.669 3.739 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.215 -0.080 3.108 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.769 0.437 2.954 1.00 0.00 C ATOM 0 H VAL A 33 3.820 1.998 5.681 1.00 0.00 H new ATOM 0 HA VAL A 33 4.586 -0.807 5.241 1.00 0.00 H new ATOM 0 HB VAL A 33 5.281 1.734 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.329 0.233 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.131 0.141 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.020 -1.152 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.916 0.742 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.508 -0.621 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.962 1.024 3.394 1.00 0.00 H new ATOM 466 N PRO A 34 6.584 -0.581 6.725 1.00 0.00 N ATOM 467 CA PRO A 34 7.828 -0.547 7.500 1.00 0.00 C ATOM 468 C PRO A 34 9.066 -0.610 6.612 1.00 0.00 C ATOM 469 O PRO A 34 9.244 -1.556 5.844 1.00 0.00 O ATOM 470 CB PRO A 34 7.734 -1.799 8.376 1.00 0.00 C ATOM 471 CG PRO A 34 6.839 -2.722 7.623 1.00 0.00 C ATOM 472 CD PRO A 34 5.851 -1.845 6.904 1.00 0.00 C ATOM 0 HA PRO A 34 7.931 0.379 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.716 -2.244 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.325 -1.565 9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.408 -3.329 6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.331 -3.410 8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.553 -2.275 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.941 -1.703 7.487 1.00 0.00 H new ATOM 480 N PHE A 35 9.920 0.403 6.723 1.00 0.00 N ATOM 481 CA PHE A 35 11.142 0.462 5.929 1.00 0.00 C ATOM 482 C PHE A 35 12.364 0.156 6.789 1.00 0.00 C ATOM 483 O PHE A 35 12.714 0.924 7.685 1.00 0.00 O ATOM 484 CB PHE A 35 11.290 1.842 5.285 1.00 0.00 C ATOM 485 CG PHE A 35 10.487 2.006 4.026 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.753 1.225 2.913 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.466 2.940 3.956 1.00 0.00 C ATOM 488 CE1 PHE A 35 10.016 1.374 1.753 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.725 3.093 2.799 1.00 0.00 C ATOM 490 CZ PHE A 35 9.000 2.308 1.697 1.00 0.00 C ATOM 0 H PHE A 35 9.788 1.193 7.354 1.00 0.00 H new ATOM 0 HA PHE A 35 11.074 -0.292 5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.985 2.604 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.342 2.018 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.545 0.492 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.246 3.556 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.234 0.761 0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.932 3.825 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.421 2.424 0.792 1.00 0.00 H new ATOM 500 N ARG A 36 13.009 -0.972 6.510 1.00 0.00 N ATOM 501 CA ARG A 36 14.191 -1.382 7.258 1.00 0.00 C ATOM 502 C ARG A 36 15.323 -0.374 7.081 1.00 0.00 C ATOM 503 O ARG A 36 16.250 -0.596 6.302 1.00 0.00 O ATOM 504 CB ARG A 36 14.653 -2.768 6.805 1.00 0.00 C ATOM 505 CG ARG A 36 13.875 -3.908 7.443 1.00 0.00 C ATOM 506 CD ARG A 36 13.945 -5.171 6.599 1.00 0.00 C ATOM 507 NE ARG A 36 13.201 -5.036 5.349 1.00 0.00 N ATOM 508 CZ ARG A 36 12.675 -6.064 4.692 1.00 0.00 C ATOM 509 NH1 ARG A 36 12.811 -7.296 5.164 1.00 0.00 N ATOM 510 NH2 ARG A 36 12.012 -5.861 3.562 1.00 0.00 N ATOM 0 H ARG A 36 12.733 -1.618 5.771 1.00 0.00 H new ATOM 0 HA ARG A 36 13.925 -1.423 8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.559 -2.837 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.711 -2.884 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.274 -4.111 8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.834 -3.612 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.987 -5.402 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.547 -6.010 7.169 1.00 0.00 H new ATOM 0 HE ARG A 36 13.079 -4.101 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.320 -7.456 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.406 -8.084 4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.905 -4.915 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.609 -6.651 3.058 1.00 0.00 H new ATOM 524 N VAL A 37 15.240 0.735 7.809 1.00 0.00 N ATOM 525 CA VAL A 37 16.257 1.778 7.734 1.00 0.00 C ATOM 526 C VAL A 37 16.788 2.129 9.119 1.00 0.00 C ATOM 527 O VAL A 37 16.063 2.051 10.111 1.00 0.00 O ATOM 528 CB VAL A 37 15.706 3.052 7.068 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.338 2.781 5.617 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.507 3.580 7.841 1.00 0.00 C ATOM 0 H VAL A 37 14.479 0.935 8.458 1.00 0.00 H new ATOM 0 HA VAL A 37 17.071 1.383 7.126 1.00 0.00 H new ATOM 0 HB VAL A 37 16.485 3.815 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.951 3.693 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.223 2.453 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.576 2.003 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.130 4.481 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.723 2.822 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.807 3.816 8.862 1.00 0.00 H new ATOM 540 N SER A 38 18.057 2.518 9.179 1.00 0.00 N ATOM 541 CA SER A 38 18.687 2.879 10.443 1.00 0.00 C ATOM 542 C SER A 38 18.845 4.392 10.559 1.00 0.00 C ATOM 543 O SER A 38 19.687 4.885 11.310 1.00 0.00 O ATOM 544 CB SER A 38 20.053 2.202 10.569 1.00 0.00 C ATOM 545 OG SER A 38 19.936 0.925 11.172 1.00 0.00 O ATOM 0 H SER A 38 18.669 2.591 8.367 1.00 0.00 H new ATOM 0 HA SER A 38 18.043 2.535 11.252 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.505 2.102 9.582 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.719 2.828 11.162 1.00 0.00 H new ATOM 0 HG SER A 38 20.822 0.513 11.239 1.00 0.00 H new ATOM 551 N PHE A 39 18.027 5.125 9.811 1.00 0.00 N ATOM 552 CA PHE A 39 18.075 6.582 9.827 1.00 0.00 C ATOM 553 C PHE A 39 16.683 7.174 9.625 1.00 0.00 C ATOM 554 O PHE A 39 15.691 6.448 9.564 1.00 0.00 O ATOM 555 CB PHE A 39 19.022 7.095 8.741 1.00 0.00 C ATOM 556 CG PHE A 39 18.698 6.576 7.369 1.00 0.00 C ATOM 557 CD1 PHE A 39 19.176 5.345 6.949 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.915 7.318 6.500 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.881 4.865 5.688 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.616 6.843 5.237 1.00 0.00 C ATOM 561 CZ PHE A 39 18.098 5.615 4.831 1.00 0.00 C ATOM 0 H PHE A 39 17.323 4.733 9.186 1.00 0.00 H new ATOM 0 HA PHE A 39 18.447 6.897 10.802 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.989 8.184 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.043 6.811 8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.786 4.754 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.534 8.279 6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.262 3.905 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 39 17.006 7.432 4.568 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.864 5.241 3.845 1.00 0.00 H new ATOM 571 N ARG A 40 16.619 8.498 9.524 1.00 0.00 N ATOM 572 CA ARG A 40 15.349 9.189 9.331 1.00 0.00 C ATOM 573 C ARG A 40 15.030 9.335 7.846 1.00 0.00 C ATOM 574 O ARG A 40 15.865 9.788 7.062 1.00 0.00 O ATOM 575 CB ARG A 40 15.389 10.567 9.993 1.00 0.00 C ATOM 576 CG ARG A 40 14.014 11.177 10.212 1.00 0.00 C ATOM 577 CD ARG A 40 13.418 10.745 11.543 1.00 0.00 C ATOM 578 NE ARG A 40 14.231 11.181 12.674 1.00 0.00 N ATOM 579 CZ ARG A 40 15.168 10.427 13.240 1.00 0.00 C ATOM 580 NH1 ARG A 40 15.408 9.207 12.781 1.00 0.00 N ATOM 581 NH2 ARG A 40 15.867 10.894 14.266 1.00 0.00 N ATOM 0 H ARG A 40 17.431 9.113 9.573 1.00 0.00 H new ATOM 0 HA ARG A 40 14.564 8.592 9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.898 10.485 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.982 11.241 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.088 12.264 10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.349 10.879 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.413 11.155 11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.323 9.659 11.562 1.00 0.00 H new ATOM 0 HE ARG A 40 14.071 12.115 13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.873 8.845 11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.128 8.630 13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.686 11.833 14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.586 10.314 14.699 1.00 0.00 H new ATOM 595 N LEU A 41 13.818 8.948 7.466 1.00 0.00 N ATOM 596 CA LEU A 41 13.388 9.035 6.075 1.00 0.00 C ATOM 597 C LEU A 41 12.832 10.421 5.763 1.00 0.00 C ATOM 598 O LEU A 41 12.001 10.950 6.501 1.00 0.00 O ATOM 599 CB LEU A 41 12.329 7.971 5.780 1.00 0.00 C ATOM 600 CG LEU A 41 12.819 6.522 5.768 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.665 5.571 5.493 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.921 6.340 4.734 1.00 0.00 C ATOM 0 H LEU A 41 13.115 8.571 8.102 1.00 0.00 H new ATOM 0 HA LEU A 41 14.257 8.860 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.537 8.060 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.882 8.191 4.810 1.00 0.00 H new ATOM 0 HG LEU A 41 13.229 6.289 6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.032 4.545 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.909 5.682 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.225 5.803 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.257 5.303 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.537 6.592 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.758 6.994 4.976 1.00 0.00 H new ATOM 614 N LYS A 42 13.295 11.004 4.662 1.00 0.00 N ATOM 615 CA LYS A 42 12.844 12.327 4.248 1.00 0.00 C ATOM 616 C LYS A 42 11.771 12.222 3.168 1.00 0.00 C ATOM 617 O LYS A 42 11.863 11.390 2.268 1.00 0.00 O ATOM 618 CB LYS A 42 14.024 13.153 3.732 1.00 0.00 C ATOM 619 CG LYS A 42 15.161 13.279 4.730 1.00 0.00 C ATOM 620 CD LYS A 42 14.743 14.076 5.954 1.00 0.00 C ATOM 621 CE LYS A 42 14.501 15.538 5.611 1.00 0.00 C ATOM 622 NZ LYS A 42 14.714 16.427 6.788 1.00 0.00 N ATOM 0 H LYS A 42 13.983 10.580 4.040 1.00 0.00 H new ATOM 0 HA LYS A 42 12.413 12.825 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.403 12.697 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.671 14.150 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.489 12.286 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.013 13.763 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.836 13.645 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.517 14.004 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.170 15.837 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.482 15.661 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.539 17.415 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.058 16.158 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.693 16.329 7.124 1.00 0.00 H new ATOM 636 N GLY A 43 10.755 13.075 3.265 1.00 0.00 N ATOM 637 CA GLY A 43 9.681 13.062 2.289 1.00 0.00 C ATOM 638 C GLY A 43 10.185 12.850 0.875 1.00 0.00 C ATOM 639 O GLY A 43 9.559 12.145 0.084 1.00 0.00 O ATOM 0 H GLY A 43 10.657 13.774 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.974 12.272 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.137 14.005 2.340 1.00 0.00 H new ATOM 643 N LYS A 44 11.319 13.465 0.555 1.00 0.00 N ATOM 644 CA LYS A 44 11.907 13.341 -0.774 1.00 0.00 C ATOM 645 C LYS A 44 12.474 11.941 -0.990 1.00 0.00 C ATOM 646 O LYS A 44 12.372 11.382 -2.082 1.00 0.00 O ATOM 647 CB LYS A 44 13.010 14.384 -0.964 1.00 0.00 C ATOM 648 CG LYS A 44 14.148 14.255 0.033 1.00 0.00 C ATOM 649 CD LYS A 44 14.808 15.597 0.303 1.00 0.00 C ATOM 650 CE LYS A 44 15.892 15.482 1.364 1.00 0.00 C ATOM 651 NZ LYS A 44 17.086 14.747 0.860 1.00 0.00 N ATOM 0 H LYS A 44 11.849 14.054 1.197 1.00 0.00 H new ATOM 0 HA LYS A 44 11.121 13.513 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.411 14.296 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.575 15.380 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.769 13.840 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.890 13.554 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.240 15.983 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.055 16.315 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.190 16.479 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.492 14.968 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.822 14.734 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.818 13.771 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.453 15.222 0.011 1.00 0.00 H new ATOM 665 N ASP A 45 13.069 11.381 0.057 1.00 0.00 N ATOM 666 CA ASP A 45 13.649 10.045 -0.017 1.00 0.00 C ATOM 667 C ASP A 45 12.597 9.017 -0.422 1.00 0.00 C ATOM 668 O ASP A 45 12.864 8.121 -1.222 1.00 0.00 O ATOM 669 CB ASP A 45 14.267 9.658 1.327 1.00 0.00 C ATOM 670 CG ASP A 45 15.434 10.550 1.706 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.498 11.690 1.201 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.282 10.107 2.507 1.00 0.00 O ATOM 0 H ASP A 45 13.163 11.831 0.967 1.00 0.00 H new ATOM 0 HA ASP A 45 14.430 10.057 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.504 9.713 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.604 8.622 1.284 1.00 0.00 H new ATOM 677 N VAL A 46 11.399 9.153 0.138 1.00 0.00 N ATOM 678 CA VAL A 46 10.306 8.236 -0.164 1.00 0.00 C ATOM 679 C VAL A 46 9.443 8.766 -1.304 1.00 0.00 C ATOM 680 O VAL A 46 9.374 9.973 -1.535 1.00 0.00 O ATOM 681 CB VAL A 46 9.416 7.998 1.071 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.220 7.361 2.194 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.782 9.302 1.530 1.00 0.00 C ATOM 0 H VAL A 46 11.161 9.889 0.803 1.00 0.00 H new ATOM 0 HA VAL A 46 10.759 7.291 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 46 8.617 7.310 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.575 7.201 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.621 6.405 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.042 8.021 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.157 9.115 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.564 10.015 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.170 9.712 0.726 1.00 0.00 H new ATOM 693 N VAL A 47 8.786 7.855 -2.014 1.00 0.00 N ATOM 694 CA VAL A 47 7.926 8.230 -3.130 1.00 0.00 C ATOM 695 C VAL A 47 6.523 7.658 -2.959 1.00 0.00 C ATOM 696 O VAL A 47 6.307 6.457 -3.120 1.00 0.00 O ATOM 697 CB VAL A 47 8.505 7.747 -4.473 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.571 8.106 -5.618 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.889 8.336 -4.698 1.00 0.00 C ATOM 0 H VAL A 47 8.833 6.852 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 47 7.873 9.319 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 47 8.598 6.661 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.997 7.757 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.603 7.631 -5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.443 9.188 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.283 7.984 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.824 9.424 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.553 8.022 -3.893 1.00 0.00 H new ATOM 709 N VAL A 48 5.571 8.527 -2.632 1.00 0.00 N ATOM 710 CA VAL A 48 4.188 8.108 -2.441 1.00 0.00 C ATOM 711 C VAL A 48 3.251 8.861 -3.379 1.00 0.00 C ATOM 712 O VAL A 48 3.074 10.073 -3.255 1.00 0.00 O ATOM 713 CB VAL A 48 3.729 8.333 -0.987 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.246 8.028 -0.842 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.553 7.483 -0.032 1.00 0.00 C ATOM 0 H VAL A 48 5.733 9.525 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 48 4.146 7.043 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 48 3.886 9.381 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.940 8.192 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.674 8.683 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.060 6.989 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.216 7.654 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.429 6.430 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.605 7.756 -0.118 1.00 0.00 H new ATOM 725 N ASP A 49 2.654 8.135 -4.317 1.00 0.00 N ATOM 726 CA ASP A 49 1.734 8.733 -5.277 1.00 0.00 C ATOM 727 C ASP A 49 0.291 8.361 -4.951 1.00 0.00 C ATOM 728 O ASP A 49 -0.100 7.198 -5.055 1.00 0.00 O ATOM 729 CB ASP A 49 2.080 8.283 -6.697 1.00 0.00 C ATOM 730 CG ASP A 49 1.558 9.239 -7.751 1.00 0.00 C ATOM 731 OD1 ASP A 49 2.210 10.278 -7.986 1.00 0.00 O ATOM 732 OD2 ASP A 49 0.496 8.949 -8.342 1.00 0.00 O ATOM 0 H ASP A 49 2.791 7.131 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 49 1.835 9.816 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.162 8.196 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.663 7.291 -6.872 1.00 0.00 H new ATOM 737 N ILE A 50 -0.496 9.356 -4.554 1.00 0.00 N ATOM 738 CA ILE A 50 -1.895 9.133 -4.212 1.00 0.00 C ATOM 739 C ILE A 50 -2.820 9.686 -5.292 1.00 0.00 C ATOM 740 O ILE A 50 -2.828 10.887 -5.559 1.00 0.00 O ATOM 741 CB ILE A 50 -2.255 9.782 -2.863 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.363 9.226 -1.751 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.723 9.549 -2.538 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.515 9.954 -0.433 1.00 0.00 C ATOM 0 H ILE A 50 -0.188 10.324 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.033 8.054 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.085 10.856 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.595 8.171 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.322 9.281 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.962 10.014 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.343 9.988 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.917 8.478 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.853 9.506 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.254 11.004 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.547 9.877 -0.092 1.00 0.00 H new ATOM 756 N GLN A 51 -3.597 8.801 -5.907 1.00 0.00 N ATOM 757 CA GLN A 51 -4.526 9.201 -6.957 1.00 0.00 C ATOM 758 C GLN A 51 -5.959 8.832 -6.586 1.00 0.00 C ATOM 759 O GLN A 51 -6.202 8.217 -5.548 1.00 0.00 O ATOM 760 CB GLN A 51 -4.145 8.541 -8.284 1.00 0.00 C ATOM 761 CG GLN A 51 -2.791 8.983 -8.816 1.00 0.00 C ATOM 762 CD GLN A 51 -2.508 8.450 -10.207 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.899 9.053 -11.206 1.00 0.00 O ATOM 764 NE2 GLN A 51 -1.826 7.313 -10.278 1.00 0.00 N ATOM 0 H GLN A 51 -3.602 7.803 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.465 10.284 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.139 7.459 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.910 8.769 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.750 10.072 -8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.010 8.645 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.521 6.847 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.607 6.906 -11.187 1.00 0.00 H new ATOM 773 N ARG A 52 -6.903 9.213 -7.440 1.00 0.00 N ATOM 774 CA ARG A 52 -8.312 8.924 -7.201 1.00 0.00 C ATOM 775 C ARG A 52 -8.539 7.424 -7.040 1.00 0.00 C ATOM 776 O ARG A 52 -9.160 6.980 -6.074 1.00 0.00 O ATOM 777 CB ARG A 52 -9.167 9.460 -8.350 1.00 0.00 C ATOM 778 CG ARG A 52 -10.651 9.519 -8.029 1.00 0.00 C ATOM 779 CD ARG A 52 -10.968 10.648 -7.062 1.00 0.00 C ATOM 780 NE ARG A 52 -11.050 11.940 -7.737 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.005 12.256 -8.605 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.954 11.379 -8.901 1.00 0.00 N ATOM 783 NH2 ARG A 52 -12.013 13.453 -9.179 1.00 0.00 N ATOM 0 H ARG A 52 -6.718 9.723 -8.304 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.607 9.420 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.821 10.459 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.018 8.830 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.218 9.657 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.969 8.570 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.913 10.441 -6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.200 10.690 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.335 12.638 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.953 10.458 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.686 11.625 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.285 14.131 -8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.747 13.694 -9.845 1.00 0.00 H new ATOM 797 N ARG A 53 -8.032 6.648 -7.993 1.00 0.00 N ATOM 798 CA ARG A 53 -8.182 5.199 -7.958 1.00 0.00 C ATOM 799 C ARG A 53 -6.842 4.508 -8.198 1.00 0.00 C ATOM 800 O ARG A 53 -6.769 3.500 -8.901 1.00 0.00 O ATOM 801 CB ARG A 53 -9.198 4.744 -9.007 1.00 0.00 C ATOM 802 CG ARG A 53 -9.925 3.462 -8.635 1.00 0.00 C ATOM 803 CD ARG A 53 -11.238 3.328 -9.391 1.00 0.00 C ATOM 804 NE ARG A 53 -11.051 2.736 -10.713 1.00 0.00 N ATOM 805 CZ ARG A 53 -10.749 3.441 -11.797 1.00 0.00 C ATOM 806 NH1 ARG A 53 -10.600 4.756 -11.717 1.00 0.00 N ATOM 807 NH2 ARG A 53 -10.594 2.830 -12.965 1.00 0.00 N ATOM 0 H ARG A 53 -7.514 6.999 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.543 4.920 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.931 5.536 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.685 4.598 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.289 2.605 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.118 3.450 -7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.928 2.713 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.698 4.311 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.158 1.726 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.717 5.229 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.368 5.295 -12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.707 1.818 -13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.362 3.372 -13.797 1.00 0.00 H new ATOM 821 N HIS A 54 -5.785 5.058 -7.609 1.00 0.00 N ATOM 822 CA HIS A 54 -4.448 4.495 -7.759 1.00 0.00 C ATOM 823 C HIS A 54 -3.513 5.019 -6.672 1.00 0.00 C ATOM 824 O HIS A 54 -3.364 6.229 -6.497 1.00 0.00 O ATOM 825 CB HIS A 54 -3.882 4.830 -9.139 1.00 0.00 C ATOM 826 CG HIS A 54 -2.945 3.790 -9.671 1.00 0.00 C ATOM 827 ND1 HIS A 54 -2.769 3.554 -11.018 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.128 2.923 -9.028 1.00 0.00 C ATOM 829 CE1 HIS A 54 -1.886 2.585 -11.181 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.481 2.185 -9.989 1.00 0.00 N ATOM 0 H HIS A 54 -5.828 5.892 -7.024 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.523 3.412 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.707 4.956 -9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.359 5.785 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.007 2.829 -7.959 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.552 2.187 -12.128 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.799 1.448 -9.811 1.00 0.00 H new ATOM 839 N LEU A 55 -2.887 4.100 -5.945 1.00 0.00 N ATOM 840 CA LEU A 55 -1.967 4.469 -4.874 1.00 0.00 C ATOM 841 C LEU A 55 -0.598 3.831 -5.089 1.00 0.00 C ATOM 842 O LEU A 55 -0.499 2.686 -5.531 1.00 0.00 O ATOM 843 CB LEU A 55 -2.534 4.043 -3.519 1.00 0.00 C ATOM 844 CG LEU A 55 -1.579 4.146 -2.329 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.085 5.575 -2.163 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.258 3.663 -1.056 1.00 0.00 C ATOM 0 H LEU A 55 -2.999 3.095 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.849 5.552 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.413 4.652 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.874 3.010 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.718 3.506 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.407 5.629 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.559 5.885 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.935 6.236 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.563 3.744 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.137 4.276 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.561 2.623 -1.177 1.00 0.00 H new ATOM 858 N ARG A 56 0.454 4.578 -4.770 1.00 0.00 N ATOM 859 CA ARG A 56 1.817 4.085 -4.927 1.00 0.00 C ATOM 860 C ARG A 56 2.690 4.520 -3.754 1.00 0.00 C ATOM 861 O ARG A 56 2.555 5.633 -3.245 1.00 0.00 O ATOM 862 CB ARG A 56 2.417 4.591 -6.240 1.00 0.00 C ATOM 863 CG ARG A 56 3.664 3.837 -6.670 1.00 0.00 C ATOM 864 CD ARG A 56 4.495 4.648 -7.652 1.00 0.00 C ATOM 865 NE ARG A 56 5.475 3.823 -8.352 1.00 0.00 N ATOM 866 CZ ARG A 56 6.564 4.311 -8.936 1.00 0.00 C ATOM 867 NH1 ARG A 56 6.811 5.613 -8.903 1.00 0.00 N ATOM 868 NH2 ARG A 56 7.409 3.496 -9.554 1.00 0.00 N ATOM 0 H ARG A 56 0.388 5.527 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 56 1.783 2.996 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.666 4.513 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.660 5.648 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.266 3.597 -5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.378 2.890 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.836 5.123 -8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.009 5.447 -7.118 1.00 0.00 H new ATOM 0 HE ARG A 56 5.315 2.817 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.164 6.243 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.648 5.985 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.223 2.493 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.245 3.872 -10.002 1.00 0.00 H new ATOM 882 N VAL A 57 3.587 3.635 -3.331 1.00 0.00 N ATOM 883 CA VAL A 57 4.484 3.928 -2.219 1.00 0.00 C ATOM 884 C VAL A 57 5.821 3.215 -2.389 1.00 0.00 C ATOM 885 O VAL A 57 5.876 2.079 -2.857 1.00 0.00 O ATOM 886 CB VAL A 57 3.862 3.514 -0.872 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.847 3.743 0.264 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.567 4.274 -0.628 1.00 0.00 C ATOM 0 H VAL A 57 3.712 2.710 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 57 4.647 5.006 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 57 3.630 2.450 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.390 3.445 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.745 3.149 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.113 4.799 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.141 3.969 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.771 5.345 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.860 4.053 -1.427 1.00 0.00 H new ATOM 898 N GLY A 58 6.899 3.892 -2.005 1.00 0.00 N ATOM 899 CA GLY A 58 8.223 3.308 -2.122 1.00 0.00 C ATOM 900 C GLY A 58 9.325 4.308 -1.837 1.00 0.00 C ATOM 901 O GLY A 58 9.129 5.262 -1.084 1.00 0.00 O ATOM 0 H GLY A 58 6.879 4.834 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.309 2.470 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.352 2.906 -3.127 1.00 0.00 H new ATOM 905 N LEU A 59 10.489 4.090 -2.439 1.00 0.00 N ATOM 906 CA LEU A 59 11.629 4.979 -2.245 1.00 0.00 C ATOM 907 C LEU A 59 12.264 5.351 -3.582 1.00 0.00 C ATOM 908 O LEU A 59 12.366 4.520 -4.485 1.00 0.00 O ATOM 909 CB LEU A 59 12.670 4.317 -1.340 1.00 0.00 C ATOM 910 CG LEU A 59 12.161 3.816 0.012 1.00 0.00 C ATOM 911 CD1 LEU A 59 12.967 2.612 0.473 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.221 4.928 1.049 1.00 0.00 C ATOM 0 H LEU A 59 10.668 3.305 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 59 11.269 5.891 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.106 3.474 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.474 5.031 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 59 11.122 3.509 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.590 2.269 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.874 1.810 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.016 2.892 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.855 4.554 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.251 5.265 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.600 5.762 0.724 1.00 0.00 H new ATOM 924 N LYS A 60 12.691 6.603 -3.700 1.00 0.00 N ATOM 925 CA LYS A 60 13.319 7.085 -4.925 1.00 0.00 C ATOM 926 C LYS A 60 14.268 6.038 -5.498 1.00 0.00 C ATOM 927 O LYS A 60 15.051 5.430 -4.769 1.00 0.00 O ATOM 928 CB LYS A 60 14.081 8.385 -4.654 1.00 0.00 C ATOM 929 CG LYS A 60 14.249 9.259 -5.885 1.00 0.00 C ATOM 930 CD LYS A 60 12.924 9.855 -6.331 1.00 0.00 C ATOM 931 CE LYS A 60 13.128 11.138 -7.122 1.00 0.00 C ATOM 932 NZ LYS A 60 13.592 12.256 -6.255 1.00 0.00 N ATOM 0 H LYS A 60 12.614 7.303 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 60 12.533 7.276 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.555 8.951 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.065 8.143 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.955 10.061 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.675 8.668 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.386 9.131 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.304 10.059 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.858 10.965 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.193 11.418 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.400 13.163 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.087 12.223 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.614 12.163 -6.086 1.00 0.00 H new ATOM 946 N GLY A 61 14.194 5.833 -6.810 1.00 0.00 N ATOM 947 CA GLY A 61 15.053 4.859 -7.458 1.00 0.00 C ATOM 948 C GLY A 61 14.610 3.433 -7.200 1.00 0.00 C ATOM 949 O GLY A 61 14.339 2.682 -8.136 1.00 0.00 O ATOM 0 H GLY A 61 13.555 6.324 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.062 5.045 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.076 4.988 -7.104 1.00 0.00 H new ATOM 953 N GLN A 62 14.540 3.058 -5.926 1.00 0.00 N ATOM 954 CA GLN A 62 14.130 1.711 -5.549 1.00 0.00 C ATOM 955 C GLN A 62 12.709 1.421 -6.023 1.00 0.00 C ATOM 956 O GLN A 62 11.935 2.327 -6.334 1.00 0.00 O ATOM 957 CB GLN A 62 14.219 1.534 -4.032 1.00 0.00 C ATOM 958 CG GLN A 62 15.567 1.013 -3.559 1.00 0.00 C ATOM 959 CD GLN A 62 15.751 1.148 -2.060 1.00 0.00 C ATOM 960 OE1 GLN A 62 15.574 2.228 -1.496 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.109 0.048 -1.406 1.00 0.00 N ATOM 0 H GLN A 62 14.762 3.668 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 62 14.806 1.005 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.019 2.491 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.439 0.845 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.666 -0.035 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.362 1.557 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.245 -0.826 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.248 0.078 -0.396 1.00 0.00 H new ATOM 970 N PRO A 63 12.357 0.128 -6.081 1.00 0.00 N ATOM 971 CA PRO A 63 11.028 -0.311 -6.517 1.00 0.00 C ATOM 972 C PRO A 63 9.941 0.041 -5.507 1.00 0.00 C ATOM 973 O PRO A 63 10.151 0.004 -4.294 1.00 0.00 O ATOM 974 CB PRO A 63 11.177 -1.830 -6.634 1.00 0.00 C ATOM 975 CG PRO A 63 12.285 -2.175 -5.700 1.00 0.00 C ATOM 976 CD PRO A 63 13.228 -1.004 -5.726 1.00 0.00 C ATOM 0 HA PRO A 63 10.722 0.174 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.254 -2.341 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.414 -2.127 -7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.906 -2.349 -4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.789 -3.089 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.708 -0.854 -4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.023 -1.144 -6.458 1.00 0.00 H new ATOM 984 N PRO A 64 8.750 0.390 -6.015 1.00 0.00 N ATOM 985 CA PRO A 64 7.606 0.755 -5.174 1.00 0.00 C ATOM 986 C PRO A 64 7.041 -0.440 -4.415 1.00 0.00 C ATOM 987 O PRO A 64 6.482 -1.361 -5.012 1.00 0.00 O ATOM 988 CB PRO A 64 6.580 1.283 -6.180 1.00 0.00 C ATOM 989 CG PRO A 64 6.934 0.619 -7.466 1.00 0.00 C ATOM 990 CD PRO A 64 8.428 0.456 -7.451 1.00 0.00 C ATOM 0 HA PRO A 64 7.879 1.477 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.563 1.037 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.633 2.368 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.437 -0.347 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.616 1.222 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.739 -0.448 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.928 1.294 -7.937 1.00 0.00 H new ATOM 998 N VAL A 65 7.189 -0.420 -3.094 1.00 0.00 N ATOM 999 CA VAL A 65 6.692 -1.502 -2.252 1.00 0.00 C ATOM 1000 C VAL A 65 5.203 -1.735 -2.480 1.00 0.00 C ATOM 1001 O VAL A 65 4.722 -2.867 -2.408 1.00 0.00 O ATOM 1002 CB VAL A 65 6.932 -1.208 -0.760 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.205 0.061 -0.342 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.493 -2.389 0.093 1.00 0.00 C ATOM 0 H VAL A 65 7.649 0.334 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 65 7.244 -2.399 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 65 8.000 -1.054 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.386 0.253 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.572 0.901 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.135 -0.060 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.670 -2.164 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.431 -2.577 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.063 -3.274 -0.190 1.00 0.00 H new ATOM 1014 N VAL A 66 4.476 -0.657 -2.756 1.00 0.00 N ATOM 1015 CA VAL A 66 3.040 -0.744 -2.996 1.00 0.00 C ATOM 1016 C VAL A 66 2.656 -0.035 -4.290 1.00 0.00 C ATOM 1017 O VAL A 66 2.853 1.172 -4.431 1.00 0.00 O ATOM 1018 CB VAL A 66 2.238 -0.133 -1.831 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.744 -0.262 -2.086 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.623 -0.793 -0.516 1.00 0.00 C ATOM 0 H VAL A 66 4.858 0.287 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 66 2.796 -1.803 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 66 2.480 0.928 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.194 0.175 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.485 0.262 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.481 -1.315 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.047 -0.349 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.412 -1.861 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.687 -0.642 -0.331 1.00 0.00 H new ATOM 1030 N ASP A 67 2.106 -0.794 -5.232 1.00 0.00 N ATOM 1031 CA ASP A 67 1.692 -0.239 -6.516 1.00 0.00 C ATOM 1032 C ASP A 67 0.585 -1.082 -7.140 1.00 0.00 C ATOM 1033 O ASP A 67 0.785 -2.255 -7.451 1.00 0.00 O ATOM 1034 CB ASP A 67 2.886 -0.155 -7.468 1.00 0.00 C ATOM 1035 CG ASP A 67 3.737 -1.409 -7.441 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.334 -1.699 -6.383 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.806 -2.101 -8.478 1.00 0.00 O ATOM 0 H ASP A 67 1.937 -1.795 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 67 1.305 0.765 -6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.527 0.015 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.501 0.704 -7.200 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.584 -0.474 -7.322 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.706 -1.185 -7.907 1.00 0.00 C ATOM 1044 C GLY A 68 -2.991 -0.383 -7.854 1.00 0.00 C ATOM 1045 O GLY A 68 -3.113 0.554 -7.065 1.00 0.00 O ATOM 0 H GLY A 68 -0.774 0.497 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.476 -1.430 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.848 -2.129 -7.381 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.951 -0.749 -8.698 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.232 -0.055 -8.745 1.00 0.00 C ATOM 1051 C GLU A 69 -5.990 -0.221 -7.431 1.00 0.00 C ATOM 1052 O GLU A 69 -6.097 -1.327 -6.898 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.080 -0.580 -9.905 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.398 0.157 -10.078 1.00 0.00 C ATOM 1055 CD GLU A 69 -7.968 0.011 -11.475 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.311 0.468 -12.434 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.071 -0.559 -11.610 1.00 0.00 O ATOM 0 H GLU A 69 -3.865 -1.522 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.035 1.006 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.506 -0.502 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.284 -1.639 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.119 -0.221 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.250 1.214 -9.858 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.513 0.884 -6.912 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.261 0.863 -5.660 1.00 0.00 C ATOM 1066 C LEU A 70 -8.621 0.199 -5.849 1.00 0.00 C ATOM 1067 O LEU A 70 -9.339 0.494 -6.805 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.444 2.285 -5.127 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.208 2.931 -4.500 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.350 4.445 -4.478 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.982 2.394 -3.094 1.00 0.00 C ATOM 0 H LEU A 70 -6.433 1.807 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.691 0.281 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.784 2.918 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.240 2.273 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.340 2.677 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.461 4.887 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.463 4.815 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.228 4.720 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.098 2.864 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.851 2.618 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.835 1.315 -3.136 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.970 -0.696 -4.932 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.244 -1.401 -4.998 1.00 0.00 C ATOM 1085 C TYR A 71 -11.373 -0.451 -5.384 1.00 0.00 C ATOM 1086 O TYR A 71 -12.175 -0.749 -6.267 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.555 -2.062 -3.654 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.971 -2.583 -3.548 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.400 -3.649 -4.329 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.879 -2.008 -2.667 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.693 -4.127 -4.236 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.173 -2.481 -2.567 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.575 -3.540 -3.354 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.864 -4.014 -3.257 1.00 0.00 O ATOM 0 H TYR A 71 -8.388 -0.950 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.165 -2.172 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.861 -2.887 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.381 -1.341 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.711 -4.112 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.568 -1.178 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.011 -4.956 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.866 -2.024 -1.876 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.355 -3.492 -2.589 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.428 0.695 -4.713 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.459 1.691 -4.985 1.00 0.00 C ATOM 1106 C ASN A 72 -11.873 3.099 -4.965 1.00 0.00 C ATOM 1107 O ASN A 72 -10.682 3.283 -4.713 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.586 1.581 -3.956 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.864 2.249 -4.426 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.385 3.150 -3.769 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.376 1.809 -5.570 1.00 0.00 N ATOM 0 H ASN A 72 -10.772 0.957 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.863 1.499 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.784 0.529 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.265 2.036 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.234 2.221 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.911 1.060 -6.082 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.718 4.090 -5.232 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.283 5.482 -5.245 1.00 0.00 C ATOM 1120 C GLU A 73 -11.928 5.954 -3.838 1.00 0.00 C ATOM 1121 O GLU A 73 -12.464 5.454 -2.849 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.377 6.375 -5.834 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.305 6.509 -7.346 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.882 7.819 -7.844 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.720 8.842 -7.146 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -14.496 7.823 -8.932 1.00 0.00 O ATOM 0 H GLU A 73 -13.707 3.955 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.392 5.552 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.351 5.971 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.306 7.366 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.266 6.430 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.844 5.681 -7.806 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.020 6.921 -3.757 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.593 7.463 -2.472 1.00 0.00 C ATOM 1135 C VAL A 74 -10.259 8.946 -2.584 1.00 0.00 C ATOM 1136 O VAL A 74 -9.387 9.341 -3.358 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.364 6.711 -1.927 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.662 5.226 -1.793 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.157 6.941 -2.825 1.00 0.00 C ATOM 0 H VAL A 74 -10.566 7.345 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.426 7.333 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.132 7.102 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.782 4.712 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.497 5.083 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.921 4.817 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.298 6.402 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.377 6.579 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.931 8.007 -2.865 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.959 9.764 -1.806 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.737 11.206 -1.815 1.00 0.00 C ATOM 1151 C LYS A 75 -9.246 11.526 -1.825 1.00 0.00 C ATOM 1152 O LYS A 75 -8.601 11.561 -0.777 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.400 11.852 -0.597 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.886 13.269 -0.850 1.00 0.00 C ATOM 1155 CD LYS A 75 -12.967 13.672 0.139 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.437 15.099 -0.100 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.420 15.539 0.928 1.00 0.00 N ATOM 0 H LYS A 75 -11.685 9.453 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.184 11.612 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.244 11.237 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.690 11.862 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.047 13.961 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.274 13.346 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.813 12.990 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.585 13.579 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.578 15.770 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.889 15.172 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.716 16.516 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.251 14.914 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.981 15.494 1.870 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.704 11.762 -3.016 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.289 12.083 -3.162 1.00 0.00 C ATOM 1173 C VAL A 76 -6.997 13.505 -2.696 1.00 0.00 C ATOM 1174 O VAL A 76 -5.959 13.769 -2.089 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.826 11.928 -4.622 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.630 12.838 -5.537 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.337 12.218 -4.743 1.00 0.00 C ATOM 0 H VAL A 76 -9.223 11.737 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.739 11.379 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.999 10.897 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.288 12.714 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.686 12.578 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.492 13.875 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.027 12.104 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.137 13.238 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.779 11.520 -4.119 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.920 14.418 -2.983 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.761 15.814 -2.594 1.00 0.00 C ATOM 1189 C GLU A 77 -7.624 15.944 -1.079 1.00 0.00 C ATOM 1190 O GLU A 77 -7.065 16.918 -0.578 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.951 16.642 -3.082 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.236 16.481 -4.566 1.00 0.00 C ATOM 1193 CD GLU A 77 -8.349 17.358 -5.429 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -7.146 17.473 -5.116 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -8.858 17.929 -6.416 1.00 0.00 O ATOM 0 H GLU A 77 -8.785 14.216 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.850 16.192 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.838 16.356 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.763 17.694 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.094 15.438 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.281 16.725 -4.760 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.140 14.954 -0.357 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.076 14.958 1.099 1.00 0.00 C ATOM 1204 C GLU A 78 -7.029 13.969 1.602 1.00 0.00 C ATOM 1205 O GLU A 78 -6.305 14.247 2.558 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.444 14.614 1.693 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.340 15.824 1.898 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.916 16.670 3.083 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -8.795 17.220 3.049 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.706 16.783 4.043 1.00 0.00 O ATOM 0 H GLU A 78 -8.607 14.140 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.789 15.959 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.949 13.906 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.300 14.113 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.329 16.437 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.367 15.490 2.044 1.00 0.00 H new ATOM 1217 N SER A 79 -6.955 12.813 0.950 1.00 0.00 N ATOM 1218 CA SER A 79 -6.000 11.780 1.332 1.00 0.00 C ATOM 1219 C SER A 79 -4.597 12.363 1.477 1.00 0.00 C ATOM 1220 O SER A 79 -4.263 13.368 0.850 1.00 0.00 O ATOM 1221 CB SER A 79 -5.991 10.654 0.296 1.00 0.00 C ATOM 1222 OG SER A 79 -7.066 9.756 0.509 1.00 0.00 O ATOM 0 H SER A 79 -7.545 12.569 0.155 1.00 0.00 H new ATOM 0 HA SER A 79 -6.308 11.375 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.060 11.077 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.046 10.114 0.350 1.00 0.00 H new ATOM 0 HG SER A 79 -7.883 10.124 0.113 1.00 0.00 H new ATOM 1228 N SER A 80 -3.781 11.725 2.310 1.00 0.00 N ATOM 1229 CA SER A 80 -2.416 12.182 2.541 1.00 0.00 C ATOM 1230 C SER A 80 -1.611 11.128 3.297 1.00 0.00 C ATOM 1231 O SER A 80 -2.153 10.113 3.734 1.00 0.00 O ATOM 1232 CB SER A 80 -2.421 13.495 3.326 1.00 0.00 C ATOM 1233 OG SER A 80 -2.519 14.609 2.456 1.00 0.00 O ATOM 0 H SER A 80 -4.041 10.891 2.836 1.00 0.00 H new ATOM 0 HA SER A 80 -1.946 12.348 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.257 13.501 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.509 13.572 3.919 1.00 0.00 H new ATOM 0 HG SER A 80 -3.140 14.401 1.727 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.315 11.378 3.446 1.00 0.00 N ATOM 1240 CA TRP A 81 0.565 10.451 4.148 1.00 0.00 C ATOM 1241 C TRP A 81 1.586 11.205 4.994 1.00 0.00 C ATOM 1242 O TRP A 81 1.697 12.428 4.906 1.00 0.00 O ATOM 1243 CB TRP A 81 1.284 9.542 3.149 1.00 0.00 C ATOM 1244 CG TRP A 81 2.103 10.295 2.145 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.644 10.944 1.034 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.524 10.473 2.158 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.694 11.516 0.357 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.858 11.242 1.026 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.546 10.061 3.017 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.170 11.604 0.732 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.848 10.420 2.724 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.150 11.186 1.590 1.00 0.00 C ATOM 0 H TRP A 81 0.149 12.214 3.091 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.047 9.839 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.932 8.855 3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.546 8.935 2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.608 10.999 0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.619 12.057 -0.504 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.322 9.472 3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.405 12.193 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.646 10.105 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.177 11.452 1.389 1.00 0.00 H new ATOM 1263 N LEU A 82 2.328 10.468 5.813 1.00 0.00 N ATOM 1264 CA LEU A 82 3.340 11.068 6.676 1.00 0.00 C ATOM 1265 C LEU A 82 4.372 10.031 7.107 1.00 0.00 C ATOM 1266 O LEU A 82 4.045 8.860 7.302 1.00 0.00 O ATOM 1267 CB LEU A 82 2.683 11.694 7.907 1.00 0.00 C ATOM 1268 CG LEU A 82 2.302 10.727 9.029 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.450 10.575 10.015 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.045 11.205 9.741 1.00 0.00 C ATOM 0 H LEU A 82 2.248 9.455 5.898 1.00 0.00 H new ATOM 0 HA LEU A 82 3.850 11.847 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.362 12.443 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.784 12.220 7.586 1.00 0.00 H new ATOM 0 HG LEU A 82 2.097 9.751 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.161 9.883 10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.326 10.187 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.687 11.546 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.789 10.505 10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.222 12.192 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.222 11.261 9.028 1.00 0.00 H new ATOM 1282 N ILE A 83 5.617 10.469 7.257 1.00 0.00 N ATOM 1283 CA ILE A 83 6.695 9.579 7.669 1.00 0.00 C ATOM 1284 C ILE A 83 6.701 9.386 9.182 1.00 0.00 C ATOM 1285 O ILE A 83 6.747 10.354 9.940 1.00 0.00 O ATOM 1286 CB ILE A 83 8.069 10.117 7.226 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.164 10.139 5.699 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.185 9.270 7.820 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.187 11.121 5.172 1.00 0.00 C ATOM 0 H ILE A 83 5.904 11.435 7.099 1.00 0.00 H new ATOM 0 HA ILE A 83 6.515 8.620 7.184 1.00 0.00 H new ATOM 0 HB ILE A 83 8.179 11.138 7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.415 9.139 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.187 10.388 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.150 9.662 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.125 9.301 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.080 8.240 7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.200 11.083 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.926 12.128 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.173 10.860 5.556 1.00 0.00 H new ATOM 1301 N GLU A 84 6.656 8.129 9.612 1.00 0.00 N ATOM 1302 CA GLU A 84 6.657 7.810 11.035 1.00 0.00 C ATOM 1303 C GLU A 84 8.041 7.354 11.490 1.00 0.00 C ATOM 1304 O GLU A 84 8.638 6.457 10.893 1.00 0.00 O ATOM 1305 CB GLU A 84 5.625 6.721 11.337 1.00 0.00 C ATOM 1306 CG GLU A 84 4.241 7.265 11.651 1.00 0.00 C ATOM 1307 CD GLU A 84 4.212 8.086 12.925 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.552 7.537 13.993 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.848 9.279 12.853 1.00 0.00 O ATOM 0 H GLU A 84 6.618 7.316 8.997 1.00 0.00 H new ATOM 0 HA GLU A 84 6.393 8.714 11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.557 6.049 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.973 6.127 12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.899 7.880 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.541 6.435 11.742 1.00 0.00 H new ATOM 1316 N ASP A 85 8.545 7.979 12.548 1.00 0.00 N ATOM 1317 CA ASP A 85 9.858 7.638 13.084 1.00 0.00 C ATOM 1318 C ASP A 85 10.867 7.434 11.958 1.00 0.00 C ATOM 1319 O ASP A 85 11.732 6.563 12.037 1.00 0.00 O ATOM 1320 CB ASP A 85 9.770 6.375 13.942 1.00 0.00 C ATOM 1321 CG ASP A 85 9.258 6.660 15.340 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.883 7.480 16.046 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.232 6.064 15.729 1.00 0.00 O ATOM 0 H ASP A 85 8.065 8.725 13.052 1.00 0.00 H new ATOM 0 HA ASP A 85 10.196 8.467 13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.111 5.655 13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.755 5.913 14.006 1.00 0.00 H new ATOM 1328 N GLY A 86 10.750 8.244 10.910 1.00 0.00 N ATOM 1329 CA GLY A 86 11.658 8.136 9.784 1.00 0.00 C ATOM 1330 C GLY A 86 12.020 6.698 9.467 1.00 0.00 C ATOM 1331 O GLY A 86 13.093 6.424 8.930 1.00 0.00 O ATOM 0 H GLY A 86 10.042 8.973 10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.201 8.594 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.567 8.697 9.999 1.00 0.00 H new ATOM 1335 N LYS A 87 11.124 5.776 9.803 1.00 0.00 N ATOM 1336 CA LYS A 87 11.354 4.359 9.552 1.00 0.00 C ATOM 1337 C LYS A 87 10.169 3.736 8.820 1.00 0.00 C ATOM 1338 O LYS A 87 10.324 2.763 8.082 1.00 0.00 O ATOM 1339 CB LYS A 87 11.597 3.620 10.870 1.00 0.00 C ATOM 1340 CG LYS A 87 10.470 3.781 11.875 1.00 0.00 C ATOM 1341 CD LYS A 87 10.355 2.568 12.783 1.00 0.00 C ATOM 1342 CE LYS A 87 11.216 2.719 14.027 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.147 1.513 14.899 1.00 0.00 N ATOM 0 H LYS A 87 10.231 5.985 10.250 1.00 0.00 H new ATOM 0 HA LYS A 87 12.238 4.266 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.738 2.559 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.524 3.983 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.643 4.673 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.529 3.932 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.314 2.428 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.656 1.674 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.251 2.896 13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.890 3.594 14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.747 1.655 15.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.164 1.358 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.482 0.683 14.370 1.00 0.00 H new ATOM 1357 N VAL A 88 8.986 4.305 9.028 1.00 0.00 N ATOM 1358 CA VAL A 88 7.775 3.808 8.385 1.00 0.00 C ATOM 1359 C VAL A 88 7.063 4.918 7.621 1.00 0.00 C ATOM 1360 O VAL A 88 7.255 6.101 7.901 1.00 0.00 O ATOM 1361 CB VAL A 88 6.802 3.202 9.414 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.619 2.552 8.712 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.523 2.198 10.301 1.00 0.00 C ATOM 0 H VAL A 88 8.840 5.110 9.637 1.00 0.00 H new ATOM 0 HA VAL A 88 8.084 3.031 7.686 1.00 0.00 H new ATOM 0 HB VAL A 88 6.422 4.005 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.942 2.129 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.089 3.301 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.977 1.760 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.821 1.780 11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.932 1.397 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.334 2.698 10.832 1.00 0.00 H new ATOM 1373 N VAL A 89 6.239 4.528 6.653 1.00 0.00 N ATOM 1374 CA VAL A 89 5.496 5.490 5.848 1.00 0.00 C ATOM 1375 C VAL A 89 4.000 5.195 5.881 1.00 0.00 C ATOM 1376 O VAL A 89 3.517 4.302 5.185 1.00 0.00 O ATOM 1377 CB VAL A 89 5.977 5.488 4.385 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.087 6.377 3.529 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.428 5.935 4.301 1.00 0.00 C ATOM 0 H VAL A 89 6.069 3.553 6.408 1.00 0.00 H new ATOM 0 HA VAL A 89 5.679 6.473 6.281 1.00 0.00 H new ATOM 0 HB VAL A 89 5.911 4.470 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.442 6.363 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.062 6.008 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.118 7.398 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.751 5.928 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.522 6.944 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.052 5.254 4.880 1.00 0.00 H new ATOM 1389 N THR A 90 3.271 5.952 6.694 1.00 0.00 N ATOM 1390 CA THR A 90 1.830 5.772 6.818 1.00 0.00 C ATOM 1391 C THR A 90 1.082 6.581 5.765 1.00 0.00 C ATOM 1392 O THR A 90 1.424 7.732 5.493 1.00 0.00 O ATOM 1393 CB THR A 90 1.331 6.184 8.216 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.609 7.570 8.447 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.992 5.342 9.297 1.00 0.00 C ATOM 0 H THR A 90 3.655 6.696 7.277 1.00 0.00 H new ATOM 0 HA THR A 90 1.630 4.711 6.667 1.00 0.00 H new ATOM 0 HB THR A 90 0.254 6.018 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.351 7.855 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.624 5.651 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.754 4.291 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.072 5.480 9.256 1.00 0.00 H new ATOM 1403 N VAL A 91 0.058 5.973 5.175 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.741 6.638 4.152 1.00 0.00 C ATOM 1405 C VAL A 91 -2.229 6.533 4.463 1.00 0.00 C ATOM 1406 O VAL A 91 -2.795 5.439 4.486 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.476 6.041 2.757 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.302 6.761 1.703 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.007 6.108 2.423 1.00 0.00 C ATOM 0 H VAL A 91 -0.238 5.020 5.388 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.446 7.687 4.152 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.776 4.993 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.102 6.326 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.361 6.656 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.036 7.818 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.177 5.682 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.335 7.147 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.573 5.543 3.164 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.860 7.679 4.702 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.285 7.716 5.011 1.00 0.00 C ATOM 1421 C HIS A 92 -5.115 7.832 3.736 1.00 0.00 C ATOM 1422 O HIS A 92 -4.936 8.762 2.948 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.596 8.888 5.943 1.00 0.00 C ATOM 1424 CG HIS A 92 -6.023 9.339 5.884 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.906 9.182 6.931 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.719 9.946 4.895 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.084 9.672 6.589 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.997 10.142 5.357 1.00 0.00 N ATOM 0 H HIS A 92 -2.407 8.593 4.688 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.547 6.784 5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.357 8.601 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.948 9.726 5.688 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.684 8.754 7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.340 10.225 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.967 9.686 7.210 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.021 6.881 3.537 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.878 6.876 2.357 1.00 0.00 C ATOM 1439 C LEU A 93 -8.333 7.131 2.739 1.00 0.00 C ATOM 1440 O LEU A 93 -8.941 6.345 3.464 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.759 5.540 1.622 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.425 5.275 0.922 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.241 3.787 0.670 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.344 6.053 -0.383 1.00 0.00 C ATOM 0 H LEU A 93 -6.181 6.104 4.178 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.549 7.678 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.937 4.737 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.554 5.485 0.878 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.620 5.614 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.287 3.618 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.254 3.253 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.050 3.422 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.388 5.852 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.156 5.745 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.429 7.120 -0.176 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.885 8.234 2.242 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.269 8.591 2.531 1.00 0.00 C ATOM 1458 C GLU A 94 -11.226 7.861 1.593 1.00 0.00 C ATOM 1459 O GLU A 94 -11.105 7.950 0.371 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.466 10.103 2.404 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.918 10.539 2.510 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.547 10.153 3.834 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.587 8.943 4.141 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.000 11.060 4.563 1.00 0.00 O ATOM 0 H GLU A 94 -8.396 8.895 1.638 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.490 8.288 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.888 10.603 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.065 10.434 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.979 11.620 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.488 10.091 1.696 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.178 7.139 2.174 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.158 6.394 1.392 1.00 0.00 C ATOM 1473 C LYS A 95 -14.307 7.297 0.956 1.00 0.00 C ATOM 1474 O LYS A 95 -15.129 7.710 1.774 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.701 5.217 2.205 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.728 4.055 2.319 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.381 2.842 2.959 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.342 1.853 3.466 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.971 0.698 4.165 1.00 0.00 N ATOM 0 H LYS A 95 -12.292 7.054 3.184 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.660 6.013 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.957 5.565 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.624 4.863 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.358 3.790 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.864 4.359 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.014 3.162 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.029 2.351 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.747 1.490 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.659 2.361 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.388 0.428 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.922 0.965 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.043 -0.107 3.510 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.358 7.598 -0.337 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.409 8.450 -0.881 1.00 0.00 C ATOM 1495 C ILE A 96 -16.725 8.242 -0.140 1.00 0.00 C ATOM 1496 O ILE A 96 -17.424 9.201 0.185 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.630 8.182 -2.382 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.396 8.600 -3.184 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.865 8.921 -2.875 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.084 10.077 -3.088 1.00 0.00 C ATOM 0 H ILE A 96 -13.685 7.265 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.080 9.481 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.788 7.113 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.535 8.032 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.547 8.336 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.008 8.722 -3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.739 8.579 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.734 9.992 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.197 10.301 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.929 10.653 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.901 10.343 -2.047 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.055 6.983 0.127 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.287 6.648 0.832 1.00 0.00 C ATOM 1514 C ASN A 97 -17.984 5.971 2.165 1.00 0.00 C ATOM 1515 O ASN A 97 -17.412 4.882 2.205 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.160 5.735 -0.030 1.00 0.00 C ATOM 1517 CG ASN A 97 -20.016 6.511 -1.013 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -21.001 7.143 -0.631 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.641 6.467 -2.286 1.00 0.00 N ATOM 0 H ASN A 97 -16.486 6.177 -0.134 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.827 7.574 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.524 5.039 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.804 5.138 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.177 6.970 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.817 5.930 -2.557 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.371 6.624 3.255 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.144 6.086 4.592 1.00 0.00 C ATOM 1528 C LYS A 98 -19.014 4.858 4.839 1.00 0.00 C ATOM 1529 O LYS A 98 -18.746 4.068 5.744 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.436 7.153 5.650 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.718 8.468 5.402 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.243 8.373 5.754 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.473 9.588 5.261 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.764 10.799 6.078 1.00 0.00 N ATOM 0 H LYS A 98 -18.844 7.528 3.239 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.098 5.789 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.510 7.336 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.148 6.770 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.826 8.750 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.184 9.255 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.131 8.284 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.820 7.470 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.404 9.377 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.730 9.782 4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.220 11.605 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.780 11.015 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.496 10.623 7.067 1.00 0.00 H new ATOM 1548 N MET A 99 -20.055 4.703 4.028 1.00 0.00 N ATOM 1549 CA MET A 99 -20.962 3.568 4.158 1.00 0.00 C ATOM 1550 C MET A 99 -20.573 2.448 3.199 1.00 0.00 C ATOM 1551 O MET A 99 -21.430 1.719 2.702 1.00 0.00 O ATOM 1552 CB MET A 99 -22.403 4.007 3.889 1.00 0.00 C ATOM 1553 CG MET A 99 -23.061 4.691 5.076 1.00 0.00 C ATOM 1554 SD MET A 99 -23.854 3.524 6.199 1.00 0.00 S ATOM 1555 CE MET A 99 -22.470 3.057 7.235 1.00 0.00 C ATOM 0 H MET A 99 -20.292 5.348 3.274 1.00 0.00 H new ATOM 0 HA MET A 99 -20.888 3.191 5.178 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.414 4.686 3.037 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.994 3.135 3.609 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.311 5.263 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.803 5.403 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.818 2.891 8.254 1.00 0.00 H new ATOM 0 HE2 MET A 99 -22.021 2.141 6.851 1.00 0.00 H new ATOM 0 HE3 MET A 99 -21.727 3.854 7.231 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.274 2.319 2.943 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.773 1.287 2.042 1.00 0.00 C ATOM 1567 C GLU A 100 -17.536 0.610 2.626 1.00 0.00 C ATOM 1568 O GLU A 100 -16.715 1.251 3.281 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.441 1.890 0.676 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.930 0.872 -0.331 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.046 0.238 -1.137 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.995 -0.293 -0.521 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.972 0.272 -2.383 1.00 0.00 O ATOM 0 H GLU A 100 -18.551 2.915 3.346 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.554 0.536 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.333 2.370 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.690 2.669 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.228 1.358 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.378 0.092 0.194 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.412 -0.690 2.382 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.276 -1.456 2.884 1.00 0.00 C ATOM 1582 C TRP A 101 -15.242 -1.678 1.786 1.00 0.00 C ATOM 1583 O TRP A 101 -15.451 -1.289 0.637 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.747 -2.801 3.439 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.238 -2.721 4.853 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.539 -2.708 5.268 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.436 -2.641 6.036 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.593 -2.625 6.639 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.316 -2.584 7.133 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -15.059 -2.615 6.275 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.863 -2.500 8.447 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.611 -2.532 7.579 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.511 -2.476 8.652 1.00 0.00 C ATOM 0 H TRP A 101 -18.083 -1.235 1.841 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.809 -0.884 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.546 -3.188 2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.925 -3.515 3.387 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.398 -2.756 4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.446 -2.598 7.198 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.358 -2.659 5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.555 -2.455 9.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.549 -2.510 7.775 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -15.129 -2.413 9.660 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.129 -2.306 2.146 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.062 -2.580 1.190 1.00 0.00 C ATOM 1606 C TRP A 102 -12.629 -4.040 1.261 1.00 0.00 C ATOM 1607 O TRP A 102 -12.505 -4.608 2.345 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.864 -1.667 1.454 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.955 -0.348 0.748 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.040 0.480 0.695 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.922 0.293 -0.007 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.743 1.597 -0.048 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.449 1.507 -0.489 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.601 -0.039 -0.321 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.702 2.386 -1.268 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.861 0.834 -1.095 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.412 2.036 -1.560 1.00 0.00 C ATOM 0 H TRP A 102 -13.941 -2.635 3.093 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.446 -2.382 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.779 -1.492 2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.952 -2.176 1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.991 0.285 1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.382 2.368 -0.240 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.167 -0.961 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.126 3.311 -1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.840 0.586 -1.346 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.806 2.699 -2.160 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.401 -4.643 0.098 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.981 -6.038 0.030 1.00 0.00 C ATOM 1630 C ASN A 103 -10.464 -6.156 0.141 1.00 0.00 C ATOM 1631 O ASN A 103 -9.940 -7.194 0.546 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.460 -6.672 -1.277 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.523 -8.186 -1.197 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.499 -8.853 -1.048 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -13.728 -8.734 -1.296 1.00 0.00 N ATOM 0 H ASN A 103 -12.500 -4.188 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.430 -6.569 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.447 -6.283 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.789 -6.381 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.833 -9.748 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -14.549 -8.142 -1.419 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.765 -5.086 -0.222 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.308 -5.070 -0.165 1.00 0.00 C ATOM 1644 C ARG A 104 -7.766 -3.687 -0.515 1.00 0.00 C ATOM 1645 O ARG A 104 -8.507 -2.814 -0.968 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.727 -6.115 -1.119 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.067 -5.862 -2.579 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.549 -6.978 -3.473 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.129 -6.920 -4.812 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.061 -7.918 -5.686 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.441 -9.045 -5.364 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -8.614 -7.790 -6.886 1.00 0.00 N ATOM 0 H ARG A 104 -10.184 -4.219 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.006 -5.312 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.643 -6.136 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.096 -7.100 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.148 -5.775 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.636 -4.912 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.463 -6.911 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.779 -7.942 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.613 -6.067 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.015 -9.147 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.390 -9.810 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.092 -6.925 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.561 -8.557 -7.556 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.468 -3.496 -0.303 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.826 -2.219 -0.596 1.00 0.00 C ATOM 1668 C LEU A 105 -5.684 -2.014 -2.100 1.00 0.00 C ATOM 1669 O LEU A 105 -6.190 -1.038 -2.655 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.451 -2.153 0.072 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.606 -0.921 -0.253 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.277 0.340 0.270 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.208 -1.064 0.330 1.00 0.00 C ATOM 0 H LEU A 105 -5.840 -4.208 0.070 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.455 -1.423 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.591 -2.198 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.887 -3.041 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.520 -0.839 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.661 1.206 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.257 0.451 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.395 0.268 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.621 -0.178 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.275 -1.172 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.726 -1.945 -0.093 1.00 0.00 H new ATOM 1685 N VAL A 106 -4.993 -2.940 -2.756 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.787 -2.863 -4.198 1.00 0.00 C ATOM 1687 C VAL A 106 -5.057 -4.207 -4.864 1.00 0.00 C ATOM 1688 O VAL A 106 -4.781 -5.263 -4.293 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.353 -2.413 -4.537 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.180 -0.928 -4.257 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.339 -3.233 -3.754 1.00 0.00 C ATOM 0 H VAL A 106 -4.566 -3.753 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.491 -2.124 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.179 -2.581 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.161 -0.628 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.883 -0.359 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.372 -0.732 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.331 -2.902 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.509 -3.098 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.449 -4.287 -4.009 1.00 0.00 H new ATOM 1701 N THR A 107 -5.597 -4.162 -6.078 1.00 0.00 N ATOM 1702 CA THR A 107 -5.905 -5.376 -6.823 1.00 0.00 C ATOM 1703 C THR A 107 -4.817 -6.427 -6.637 1.00 0.00 C ATOM 1704 O THR A 107 -5.107 -7.612 -6.475 1.00 0.00 O ATOM 1705 CB THR A 107 -6.070 -5.085 -8.327 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.917 -4.396 -8.822 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.315 -4.250 -8.584 1.00 0.00 C ATOM 0 H THR A 107 -5.830 -3.297 -6.566 1.00 0.00 H new ATOM 0 HA THR A 107 -6.846 -5.758 -6.428 1.00 0.00 H new ATOM 0 HB THR A 107 -6.176 -6.036 -8.849 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.029 -4.216 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.410 -4.058 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.194 -4.790 -8.233 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.234 -3.303 -8.051 1.00 0.00 H new ATOM 1715 N SER A 108 -3.564 -5.985 -6.659 1.00 0.00 N ATOM 1716 CA SER A 108 -2.431 -6.888 -6.495 1.00 0.00 C ATOM 1717 C SER A 108 -2.545 -7.670 -5.190 1.00 0.00 C ATOM 1718 O SER A 108 -2.272 -8.870 -5.146 1.00 0.00 O ATOM 1719 CB SER A 108 -1.118 -6.104 -6.521 1.00 0.00 C ATOM 1720 OG SER A 108 -0.014 -6.949 -6.245 1.00 0.00 O ATOM 0 H SER A 108 -3.308 -5.006 -6.789 1.00 0.00 H new ATOM 0 HA SER A 108 -2.439 -7.595 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.988 -5.638 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.157 -5.299 -5.787 1.00 0.00 H new ATOM 0 HG SER A 108 0.813 -6.424 -6.269 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.949 -6.981 -4.129 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.101 -7.610 -2.821 1.00 0.00 C ATOM 1728 C ASP A 109 -4.218 -8.648 -2.844 1.00 0.00 C ATOM 1729 O ASP A 109 -5.093 -8.636 -3.709 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.391 -6.553 -1.754 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.125 -5.950 -1.177 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.211 -5.625 -1.964 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.048 -5.805 0.061 1.00 0.00 O ATOM 0 H ASP A 109 -3.177 -5.987 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.166 -8.114 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.002 -5.761 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.975 -7.002 -0.951 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.188 -9.571 -1.870 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.191 -10.634 -1.756 1.00 0.00 C ATOM 1740 C PRO A 110 -6.558 -10.100 -1.344 1.00 0.00 C ATOM 1741 O PRO A 110 -6.688 -8.942 -0.948 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.621 -11.544 -0.666 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.747 -10.655 0.151 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.174 -9.646 -0.805 1.00 0.00 C ATOM 0 HA PRO A 110 -5.359 -11.139 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.415 -11.983 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.054 -12.370 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.317 -10.165 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.956 -11.225 0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.023 -8.679 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.206 -9.964 -1.193 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.575 -10.951 -1.439 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.932 -10.563 -1.075 1.00 0.00 C ATOM 1754 C GLU A 111 -9.315 -11.135 0.287 1.00 0.00 C ATOM 1755 O GLU A 111 -8.828 -12.192 0.687 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.925 -11.039 -2.138 1.00 0.00 C ATOM 1757 CG GLU A 111 -10.064 -10.085 -3.312 1.00 0.00 C ATOM 1758 CD GLU A 111 -11.408 -10.203 -4.004 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -12.409 -9.706 -3.446 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -11.459 -10.794 -5.103 1.00 0.00 O ATOM 0 H GLU A 111 -7.484 -11.913 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.968 -9.475 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.608 -12.014 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.902 -11.176 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.929 -9.062 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.270 -10.283 -4.032 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.190 -10.428 0.994 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.639 -10.864 2.310 1.00 0.00 C ATOM 1769 C ILE A 112 -12.154 -10.752 2.439 1.00 0.00 C ATOM 1770 O ILE A 112 -12.750 -9.755 2.034 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.977 -10.043 3.432 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.172 -8.546 3.181 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.497 -10.380 3.533 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.969 -7.695 4.414 1.00 0.00 C ATOM 0 H ILE A 112 -10.602 -9.550 0.677 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.344 -11.908 2.414 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.453 -10.299 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.476 -8.222 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -11.178 -8.379 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.043 -9.791 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.380 -11.441 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.006 -10.149 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.123 -6.646 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.683 -7.992 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.955 -7.833 4.788 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.772 -11.782 3.009 1.00 0.00 N ATOM 1787 CA ASN A 113 -14.218 -11.799 3.194 1.00 0.00 C ATOM 1788 C ASN A 113 -14.685 -10.560 3.952 1.00 0.00 C ATOM 1789 O ASN A 113 -14.279 -10.325 5.091 1.00 0.00 O ATOM 1790 CB ASN A 113 -14.643 -13.061 3.948 1.00 0.00 C ATOM 1791 CG ASN A 113 -16.115 -13.374 3.768 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.975 -12.749 4.389 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -16.413 -14.348 2.915 1.00 0.00 N ATOM 0 H ASN A 113 -12.293 -12.615 3.351 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.684 -11.798 2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -14.049 -13.906 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.428 -12.936 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.387 -14.604 2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.668 -14.840 2.422 1.00 0.00 H new ATOM 1800 N THR A 114 -15.540 -9.768 3.312 1.00 0.00 N ATOM 1801 CA THR A 114 -16.062 -8.553 3.924 1.00 0.00 C ATOM 1802 C THR A 114 -17.544 -8.694 4.249 1.00 0.00 C ATOM 1803 O THR A 114 -18.344 -9.080 3.396 1.00 0.00 O ATOM 1804 CB THR A 114 -15.863 -7.332 3.006 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.610 -7.501 1.797 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.391 -7.138 2.676 1.00 0.00 C ATOM 0 H THR A 114 -15.886 -9.947 2.369 1.00 0.00 H new ATOM 0 HA THR A 114 -15.504 -8.399 4.847 1.00 0.00 H new ATOM 0 HB THR A 114 -16.221 -6.447 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 114 -17.325 -8.155 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.275 -6.270 2.027 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.829 -6.980 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 114 -14.012 -8.025 2.168 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.906 -8.377 5.488 1.00 0.00 N ATOM 1815 CA LYS A 115 -19.294 -8.466 5.926 1.00 0.00 C ATOM 1816 C LYS A 115 -19.904 -7.077 6.086 1.00 0.00 C ATOM 1817 O LYS A 115 -19.196 -6.104 6.346 1.00 0.00 O ATOM 1818 CB LYS A 115 -19.385 -9.229 7.249 1.00 0.00 C ATOM 1819 CG LYS A 115 -20.805 -9.598 7.643 1.00 0.00 C ATOM 1820 CD LYS A 115 -21.344 -10.731 6.786 1.00 0.00 C ATOM 1821 CE LYS A 115 -21.030 -12.089 7.395 1.00 0.00 C ATOM 1822 NZ LYS A 115 -19.715 -12.613 6.932 1.00 0.00 N ATOM 0 H LYS A 115 -17.257 -8.056 6.207 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.856 -9.005 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.789 -10.139 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.944 -8.622 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.828 -9.892 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -21.450 -8.725 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -22.423 -10.622 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.912 -10.670 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.026 -12.008 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -21.816 -12.796 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.808 -13.620 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.406 -12.083 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.011 -12.502 7.689 1.00 0.00 H new ATOM 1836 N SER A 116 -21.221 -6.992 5.931 1.00 0.00 N ATOM 1837 CA SER A 116 -21.926 -5.722 6.056 1.00 0.00 C ATOM 1838 C SER A 116 -23.160 -5.870 6.941 1.00 0.00 C ATOM 1839 O SER A 116 -24.024 -6.707 6.686 1.00 0.00 O ATOM 1840 CB SER A 116 -22.334 -5.203 4.676 1.00 0.00 C ATOM 1841 OG SER A 116 -22.881 -3.898 4.763 1.00 0.00 O ATOM 0 H SER A 116 -21.822 -7.788 5.718 1.00 0.00 H new ATOM 0 HA SER A 116 -21.250 -5.004 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.466 -5.194 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 116 -23.065 -5.878 4.232 1.00 0.00 H new ATOM 0 HG SER A 116 -23.132 -3.588 3.868 1.00 0.00 H new ATOM 1847 N GLY A 117 -23.234 -5.049 7.985 1.00 0.00 N ATOM 1848 CA GLY A 117 -24.364 -5.104 8.893 1.00 0.00 C ATOM 1849 C GLY A 117 -24.863 -3.726 9.281 1.00 0.00 C ATOM 1850 O GLY A 117 -24.088 -2.782 9.434 1.00 0.00 O ATOM 0 H GLY A 117 -22.531 -4.347 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -25.175 -5.663 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -24.078 -5.650 9.792 1.00 0.00 H new ATOM 1854 N PRO A 118 -26.188 -3.597 9.445 1.00 0.00 N ATOM 1855 CA PRO A 118 -26.820 -2.328 9.818 1.00 0.00 C ATOM 1856 C PRO A 118 -26.505 -1.924 11.254 1.00 0.00 C ATOM 1857 O PRO A 118 -27.002 -0.912 11.748 1.00 0.00 O ATOM 1858 CB PRO A 118 -28.315 -2.615 9.659 1.00 0.00 C ATOM 1859 CG PRO A 118 -28.438 -4.090 9.835 1.00 0.00 C ATOM 1860 CD PRO A 118 -27.172 -4.680 9.278 1.00 0.00 C ATOM 0 HA PRO A 118 -26.464 -1.500 9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -28.903 -2.077 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -28.676 -2.302 8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -28.559 -4.349 10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -29.312 -4.474 9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -26.876 -5.579 9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -27.286 -4.961 8.231 1.00 0.00 H new ATOM 1868 N SER A 119 -25.675 -2.721 11.919 1.00 0.00 N ATOM 1869 CA SER A 119 -25.296 -2.447 13.301 1.00 0.00 C ATOM 1870 C SER A 119 -25.225 -0.945 13.558 1.00 0.00 C ATOM 1871 O SER A 119 -24.665 -0.193 12.761 1.00 0.00 O ATOM 1872 CB SER A 119 -23.946 -3.094 13.619 1.00 0.00 C ATOM 1873 OG SER A 119 -23.805 -3.320 15.011 1.00 0.00 O ATOM 0 H SER A 119 -25.252 -3.561 11.524 1.00 0.00 H new ATOM 0 HA SER A 119 -26.059 -2.874 13.952 1.00 0.00 H new ATOM 0 HB2 SER A 119 -23.857 -4.039 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 119 -23.139 -2.451 13.268 1.00 0.00 H new ATOM 0 HG SER A 119 -22.935 -3.736 15.189 1.00 0.00 H new ATOM 1879 N SER A 120 -25.799 -0.515 14.677 1.00 0.00 N ATOM 1880 CA SER A 120 -25.806 0.898 15.039 1.00 0.00 C ATOM 1881 C SER A 120 -24.496 1.568 14.634 1.00 0.00 C ATOM 1882 O SER A 120 -23.415 1.128 15.023 1.00 0.00 O ATOM 1883 CB SER A 120 -26.032 1.060 16.543 1.00 0.00 C ATOM 1884 OG SER A 120 -26.170 2.426 16.894 1.00 0.00 O ATOM 0 H SER A 120 -26.265 -1.125 15.349 1.00 0.00 H new ATOM 0 HA SER A 120 -26.623 1.382 14.503 1.00 0.00 H new ATOM 0 HB2 SER A 120 -26.927 0.513 16.840 1.00 0.00 H new ATOM 0 HB3 SER A 120 -25.195 0.624 17.089 1.00 0.00 H new ATOM 0 HG SER A 120 -26.315 2.502 17.860 1.00 0.00 H new ATOM 1890 N GLY A 121 -24.603 2.637 13.851 1.00 0.00 N ATOM 1891 CA GLY A 121 -23.421 3.352 13.406 1.00 0.00 C ATOM 1892 C GLY A 121 -22.804 4.193 14.506 1.00 0.00 C ATOM 1893 O GLY A 121 -23.512 4.880 15.242 1.00 0.00 O ATOM 0 H GLY A 121 -25.487 3.021 13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -22.683 2.637 13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -23.684 3.994 12.566 1.00 0.00 H new TER 1897 GLY A 121