USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 859 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 GLN : amide:sc= -3.25! C(o=-3.3!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= -0.347 (180deg=-0.347) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.708 K(o=-0.71,f=-0.047) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00991 X(o=-0.0099,f=-0.34) USER MOD Single : A 23 SER OG : rot 74:sc= -0.237 USER MOD Single : A 24 MET CE :methyl 170:sc= 0 (180deg=-0.175) USER MOD Single : A 25 ASN : amide:sc=-0.00852 K(o=-0.0085,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= -4.23 K(o=-4.2,f=-9.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -2.42! (180deg=-2.66!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0.917 (180deg=0.81) USER MOD Single : A 48 GLN : amide:sc= -3.41! C(o=-3.4!,f=-8.1!) USER MOD Single : A 50 THR OG1 : rot -66:sc= 0.954 USER MOD Single : A 54 CYS SG : rot 138:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00984 X(o=-0.0098,f=-0.32) USER MOD Single : A 56 MET CE :methyl -137:sc= -0.734 (180deg=-3.76!) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00525) USER MOD Single : A 66 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -0.856 (180deg=-1.78) USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= -0.779 (180deg=-2.74!) USER MOD Single : A 74 ASN : amide:sc= -0.0975 K(o=-0.098,f=-0.71) USER MOD Single : A 78 SER OG : rot -48:sc= 0.611 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.27 X(o=0.27,f=-0.036) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.923 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 66:sc= 0.0139 USER MOD Single : A 96 SER OG : rot 30:sc= -0.643 USER MOD Single : A 98 SER OG : rot 3:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -85:sc= 0.0206 USER MOD Single : A 103 SER OG : rot 180:sc=-0.00992 USER MOD Single : A 104 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.4) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 29:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.154 -5.555 -19.021 1.00 0.00 N ATOM 2 CA GLY A 1 -29.590 -4.224 -18.896 1.00 0.00 C ATOM 3 C GLY A 1 -28.496 -4.154 -17.849 1.00 0.00 C ATOM 4 O GLY A 1 -27.326 -3.954 -18.177 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.897 -5.550 -19.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.406 -6.225 -19.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.563 -5.845 -18.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.187 -3.911 -19.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.381 -3.520 -18.638 1.00 0.00 H new ATOM 8 N SER A 2 -28.876 -4.317 -16.586 1.00 0.00 N ATOM 9 CA SER A 2 -27.918 -4.266 -15.487 1.00 0.00 C ATOM 10 C SER A 2 -27.452 -5.668 -15.107 1.00 0.00 C ATOM 11 O SER A 2 -26.258 -5.911 -14.933 1.00 0.00 O ATOM 12 CB SER A 2 -28.541 -3.576 -14.272 1.00 0.00 C ATOM 13 OG SER A 2 -28.798 -2.208 -14.538 1.00 0.00 O ATOM 0 H SER A 2 -29.840 -4.485 -16.298 1.00 0.00 H new ATOM 0 HA SER A 2 -27.052 -3.692 -15.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.470 -4.078 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.871 -3.664 -13.417 1.00 0.00 H new ATOM 0 HG SER A 2 -29.197 -1.790 -13.747 1.00 0.00 H new ATOM 19 N SER A 3 -28.404 -6.587 -14.980 1.00 0.00 N ATOM 20 CA SER A 3 -28.093 -7.965 -14.616 1.00 0.00 C ATOM 21 C SER A 3 -28.505 -8.926 -15.727 1.00 0.00 C ATOM 22 O SER A 3 -29.691 -9.144 -15.967 1.00 0.00 O ATOM 23 CB SER A 3 -28.799 -8.342 -13.313 1.00 0.00 C ATOM 24 OG SER A 3 -28.557 -9.697 -12.976 1.00 0.00 O ATOM 0 H SER A 3 -29.397 -6.403 -15.124 1.00 0.00 H new ATOM 0 HA SER A 3 -27.015 -8.043 -14.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.451 -7.696 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.871 -8.175 -13.415 1.00 0.00 H new ATOM 0 HG SER A 3 -29.018 -9.913 -12.138 1.00 0.00 H new ATOM 30 N GLY A 4 -27.513 -9.498 -16.404 1.00 0.00 N ATOM 31 CA GLY A 4 -27.791 -10.429 -17.482 1.00 0.00 C ATOM 32 C GLY A 4 -26.685 -10.464 -18.518 1.00 0.00 C ATOM 33 O GLY A 4 -25.756 -11.265 -18.417 1.00 0.00 O ATOM 0 H GLY A 4 -26.522 -9.333 -16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.929 -11.428 -17.068 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.728 -10.152 -17.965 1.00 0.00 H new ATOM 37 N SER A 5 -26.784 -9.593 -19.517 1.00 0.00 N ATOM 38 CA SER A 5 -25.787 -9.531 -20.579 1.00 0.00 C ATOM 39 C SER A 5 -24.406 -9.220 -20.010 1.00 0.00 C ATOM 40 O SER A 5 -23.415 -9.854 -20.373 1.00 0.00 O ATOM 41 CB SER A 5 -26.176 -8.471 -21.612 1.00 0.00 C ATOM 42 OG SER A 5 -27.377 -8.823 -22.276 1.00 0.00 O ATOM 0 H SER A 5 -27.545 -8.920 -19.613 1.00 0.00 H new ATOM 0 HA SER A 5 -25.750 -10.506 -21.066 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.298 -7.506 -21.119 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.374 -8.357 -22.341 1.00 0.00 H new ATOM 0 HG SER A 5 -27.605 -8.129 -22.929 1.00 0.00 H new ATOM 48 N SER A 6 -24.349 -8.239 -19.115 1.00 0.00 N ATOM 49 CA SER A 6 -23.090 -7.840 -18.497 1.00 0.00 C ATOM 50 C SER A 6 -23.201 -7.859 -16.976 1.00 0.00 C ATOM 51 O SER A 6 -23.883 -7.025 -16.381 1.00 0.00 O ATOM 52 CB SER A 6 -22.684 -6.444 -18.973 1.00 0.00 C ATOM 53 OG SER A 6 -21.442 -6.054 -18.411 1.00 0.00 O ATOM 0 H SER A 6 -25.160 -7.706 -18.802 1.00 0.00 H new ATOM 0 HA SER A 6 -22.324 -8.555 -18.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.614 -6.433 -20.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.454 -5.724 -18.696 1.00 0.00 H new ATOM 0 HG SER A 6 -21.204 -5.159 -18.732 1.00 0.00 H new ATOM 59 N GLY A 7 -22.524 -8.818 -16.351 1.00 0.00 N ATOM 60 CA GLY A 7 -22.559 -8.929 -14.904 1.00 0.00 C ATOM 61 C GLY A 7 -21.683 -10.052 -14.387 1.00 0.00 C ATOM 62 O GLY A 7 -22.144 -11.180 -14.216 1.00 0.00 O ATOM 0 H GLY A 7 -21.952 -9.520 -16.821 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.234 -7.987 -14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.586 -9.095 -14.580 1.00 0.00 H new ATOM 66 N MET A 8 -20.414 -9.744 -14.140 1.00 0.00 N ATOM 67 CA MET A 8 -19.470 -10.738 -13.640 1.00 0.00 C ATOM 68 C MET A 8 -18.425 -10.089 -12.738 1.00 0.00 C ATOM 69 O MET A 8 -18.013 -8.953 -12.968 1.00 0.00 O ATOM 70 CB MET A 8 -18.783 -11.452 -14.806 1.00 0.00 C ATOM 71 CG MET A 8 -17.957 -10.525 -15.684 1.00 0.00 C ATOM 72 SD MET A 8 -17.429 -11.311 -17.218 1.00 0.00 S ATOM 73 CE MET A 8 -15.653 -11.353 -16.983 1.00 0.00 C ATOM 0 H MET A 8 -20.016 -8.815 -14.278 1.00 0.00 H new ATOM 0 HA MET A 8 -20.026 -11.469 -13.054 1.00 0.00 H new ATOM 0 HB2 MET A 8 -18.137 -12.236 -14.411 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.540 -11.941 -15.419 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.542 -9.636 -15.918 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.079 -10.192 -15.130 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.182 -11.813 -17.852 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.278 -10.337 -16.862 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.418 -11.935 -16.092 1.00 0.00 H new ATOM 83 N ASN A 9 -18.000 -10.819 -11.712 1.00 0.00 N ATOM 84 CA ASN A 9 -17.003 -10.314 -10.775 1.00 0.00 C ATOM 85 C ASN A 9 -15.618 -10.860 -11.108 1.00 0.00 C ATOM 86 O ASN A 9 -15.480 -11.999 -11.555 1.00 0.00 O ATOM 87 CB ASN A 9 -17.382 -10.691 -9.342 1.00 0.00 C ATOM 88 CG ASN A 9 -18.311 -9.676 -8.703 1.00 0.00 C ATOM 89 OD1 ASN A 9 -19.519 -9.689 -8.939 1.00 0.00 O ATOM 90 ND2 ASN A 9 -17.748 -8.790 -7.890 1.00 0.00 N ATOM 0 H ASN A 9 -18.330 -11.762 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.976 -9.228 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.862 -11.670 -9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.477 -10.780 -8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.322 -8.082 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.742 -8.817 -7.724 1.00 0.00 H new ATOM 97 N ARG A 10 -14.595 -10.041 -10.885 1.00 0.00 N ATOM 98 CA ARG A 10 -13.221 -10.442 -11.161 1.00 0.00 C ATOM 99 C ARG A 10 -12.747 -11.487 -10.155 1.00 0.00 C ATOM 100 O ARG A 10 -12.504 -11.177 -8.989 1.00 0.00 O ATOM 101 CB ARG A 10 -12.295 -9.225 -11.123 1.00 0.00 C ATOM 102 CG ARG A 10 -12.182 -8.504 -12.456 1.00 0.00 C ATOM 103 CD ARG A 10 -11.107 -9.123 -13.335 1.00 0.00 C ATOM 104 NE ARG A 10 -11.280 -8.771 -14.742 1.00 0.00 N ATOM 105 CZ ARG A 10 -12.137 -9.380 -15.552 1.00 0.00 C ATOM 106 NH1 ARG A 10 -12.897 -10.368 -15.098 1.00 0.00 N ATOM 107 NH2 ARG A 10 -12.237 -9.003 -16.820 1.00 0.00 N ATOM 0 H ARG A 10 -14.692 -9.096 -10.514 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.191 -10.882 -12.158 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.659 -8.525 -10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.302 -9.544 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.141 -8.540 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.952 -7.453 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.126 -8.790 -12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.131 -10.207 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.711 -8.015 -15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.824 -10.662 -14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.555 -10.834 -15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.655 -8.244 -17.174 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.896 -9.472 -17.441 1.00 0.00 H new ATOM 121 N THR A 11 -12.619 -12.728 -10.615 1.00 0.00 N ATOM 122 CA THR A 11 -12.176 -13.819 -9.757 1.00 0.00 C ATOM 123 C THR A 11 -10.896 -13.451 -9.015 1.00 0.00 C ATOM 124 O THR A 11 -10.712 -13.818 -7.855 1.00 0.00 O ATOM 125 CB THR A 11 -11.935 -15.108 -10.565 1.00 0.00 C ATOM 126 OG1 THR A 11 -10.928 -14.882 -11.558 1.00 0.00 O ATOM 127 CG2 THR A 11 -13.219 -15.575 -11.235 1.00 0.00 C ATOM 0 H THR A 11 -12.816 -13.002 -11.578 1.00 0.00 H new ATOM 0 HA THR A 11 -12.973 -13.996 -9.035 1.00 0.00 H new ATOM 0 HB THR A 11 -11.600 -15.884 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.779 -15.706 -12.066 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.024 -16.487 -11.800 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.975 -15.774 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.579 -14.800 -11.911 1.00 0.00 H new ATOM 135 N ALA A 12 -10.014 -12.723 -9.692 1.00 0.00 N ATOM 136 CA ALA A 12 -8.752 -12.303 -9.096 1.00 0.00 C ATOM 137 C ALA A 12 -8.183 -11.086 -9.817 1.00 0.00 C ATOM 138 O ALA A 12 -8.296 -10.967 -11.037 1.00 0.00 O ATOM 139 CB ALA A 12 -7.751 -13.448 -9.117 1.00 0.00 C ATOM 0 H ALA A 12 -10.150 -12.412 -10.654 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.943 -12.022 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.813 -13.120 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.149 -14.290 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.572 -13.756 -10.147 1.00 0.00 H new ATOM 145 N MET A 13 -7.571 -10.185 -9.056 1.00 0.00 N ATOM 146 CA MET A 13 -6.983 -8.978 -9.624 1.00 0.00 C ATOM 147 C MET A 13 -5.585 -8.737 -9.061 1.00 0.00 C ATOM 148 O MET A 13 -5.283 -9.131 -7.935 1.00 0.00 O ATOM 149 CB MET A 13 -7.875 -7.768 -9.340 1.00 0.00 C ATOM 150 CG MET A 13 -7.490 -6.529 -10.132 1.00 0.00 C ATOM 151 SD MET A 13 -8.625 -5.154 -9.866 1.00 0.00 S ATOM 152 CE MET A 13 -7.700 -4.174 -8.687 1.00 0.00 C ATOM 0 H MET A 13 -7.469 -10.268 -8.044 1.00 0.00 H new ATOM 0 HA MET A 13 -6.903 -9.116 -10.702 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.909 -8.028 -9.568 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.831 -7.537 -8.276 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.482 -6.222 -9.852 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.465 -6.774 -11.194 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.273 -3.285 -8.423 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.513 -4.765 -7.790 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.749 -3.875 -9.129 1.00 0.00 H new ATOM 162 N ARG A 14 -4.738 -8.088 -9.853 1.00 0.00 N ATOM 163 CA ARG A 14 -3.372 -7.797 -9.434 1.00 0.00 C ATOM 164 C ARG A 14 -2.922 -6.436 -9.957 1.00 0.00 C ATOM 165 O ARG A 14 -3.430 -5.948 -10.966 1.00 0.00 O ATOM 166 CB ARG A 14 -2.420 -8.886 -9.930 1.00 0.00 C ATOM 167 CG ARG A 14 -2.241 -8.897 -11.440 1.00 0.00 C ATOM 168 CD ARG A 14 -3.272 -9.786 -12.117 1.00 0.00 C ATOM 169 NE ARG A 14 -2.803 -11.163 -12.252 1.00 0.00 N ATOM 170 CZ ARG A 14 -3.600 -12.186 -12.537 1.00 0.00 C ATOM 171 NH1 ARG A 14 -4.899 -11.989 -12.716 1.00 0.00 N ATOM 172 NH2 ARG A 14 -3.099 -13.410 -12.644 1.00 0.00 N ATOM 0 H ARG A 14 -4.973 -7.754 -10.788 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.350 -7.774 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.447 -8.749 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.795 -9.858 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.326 -7.881 -11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.239 -9.248 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.197 -9.773 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.506 -9.384 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.809 -11.349 -12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.288 -11.050 -12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.509 -12.777 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.100 -13.566 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.713 -14.195 -12.863 1.00 0.00 H new ATOM 186 N ALA A 15 -1.965 -5.828 -9.262 1.00 0.00 N ATOM 187 CA ALA A 15 -1.446 -4.524 -9.657 1.00 0.00 C ATOM 188 C ALA A 15 0.069 -4.566 -9.827 1.00 0.00 C ATOM 189 O ALA A 15 0.756 -5.349 -9.171 1.00 0.00 O ATOM 190 CB ALA A 15 -1.835 -3.469 -8.633 1.00 0.00 C ATOM 0 H ALA A 15 -1.534 -6.218 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.887 -4.261 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.441 -2.500 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.921 -3.413 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.422 -3.736 -7.660 1.00 0.00 H new ATOM 196 N SER A 16 0.584 -3.718 -10.712 1.00 0.00 N ATOM 197 CA SER A 16 2.018 -3.662 -10.972 1.00 0.00 C ATOM 198 C SER A 16 2.633 -2.409 -10.355 1.00 0.00 C ATOM 199 O SER A 16 1.941 -1.420 -10.115 1.00 0.00 O ATOM 200 CB SER A 16 2.287 -3.687 -12.478 1.00 0.00 C ATOM 201 OG SER A 16 3.540 -4.284 -12.762 1.00 0.00 O ATOM 0 H SER A 16 0.030 -3.061 -11.261 1.00 0.00 H new ATOM 0 HA SER A 16 2.480 -4.537 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.495 -4.239 -12.983 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.267 -2.671 -12.871 1.00 0.00 H new ATOM 0 HG SER A 16 3.688 -4.290 -13.731 1.00 0.00 H new ATOM 207 N GLN A 17 3.936 -2.460 -10.102 1.00 0.00 N ATOM 208 CA GLN A 17 4.645 -1.330 -9.513 1.00 0.00 C ATOM 209 C GLN A 17 4.147 -0.011 -10.097 1.00 0.00 C ATOM 210 O GLN A 17 3.823 0.922 -9.362 1.00 0.00 O ATOM 211 CB GLN A 17 6.150 -1.467 -9.745 1.00 0.00 C ATOM 212 CG GLN A 17 6.994 -0.786 -8.680 1.00 0.00 C ATOM 213 CD GLN A 17 7.324 0.652 -9.028 1.00 0.00 C ATOM 214 OE1 GLN A 17 8.008 0.923 -10.015 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.837 1.585 -8.217 1.00 0.00 N ATOM 0 H GLN A 17 4.523 -3.272 -10.296 1.00 0.00 H new ATOM 0 HA GLN A 17 4.449 -1.330 -8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.409 -2.525 -9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.399 -1.045 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.463 -0.813 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.920 -1.345 -8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.274 1.316 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.026 2.570 -8.402 1.00 0.00 H new ATOM 224 N LYS A 18 4.089 0.059 -11.422 1.00 0.00 N ATOM 225 CA LYS A 18 3.630 1.262 -12.106 1.00 0.00 C ATOM 226 C LYS A 18 2.264 1.698 -11.583 1.00 0.00 C ATOM 227 O LYS A 18 2.050 2.873 -11.285 1.00 0.00 O ATOM 228 CB LYS A 18 3.556 1.019 -13.615 1.00 0.00 C ATOM 229 CG LYS A 18 3.347 2.286 -14.426 1.00 0.00 C ATOM 230 CD LYS A 18 4.347 3.364 -14.044 1.00 0.00 C ATOM 231 CE LYS A 18 4.534 4.374 -15.166 1.00 0.00 C ATOM 232 NZ LYS A 18 5.512 3.897 -16.183 1.00 0.00 N ATOM 0 H LYS A 18 4.354 -0.704 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 18 4.347 2.059 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.477 0.536 -13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.741 0.326 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.443 2.059 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.334 2.656 -14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.005 3.877 -13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.305 2.904 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.574 4.565 -15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.876 5.321 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.612 4.613 -16.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.435 3.738 -15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.173 3.006 -16.599 1.00 0.00 H new ATOM 246 N ASP A 19 1.346 0.744 -11.474 1.00 0.00 N ATOM 247 CA ASP A 19 0.002 1.029 -10.984 1.00 0.00 C ATOM 248 C ASP A 19 0.048 1.588 -9.566 1.00 0.00 C ATOM 249 O ASP A 19 -0.793 2.400 -9.180 1.00 0.00 O ATOM 250 CB ASP A 19 -0.855 -0.237 -11.019 1.00 0.00 C ATOM 251 CG ASP A 19 -1.518 -0.450 -12.366 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.791 -0.559 -13.375 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.765 -0.508 -12.411 1.00 0.00 O ATOM 0 H ASP A 19 1.508 -0.233 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.445 1.779 -11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.233 -1.100 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.621 -0.175 -10.246 1.00 0.00 H new ATOM 258 N PHE A 20 1.035 1.148 -8.793 1.00 0.00 N ATOM 259 CA PHE A 20 1.190 1.603 -7.416 1.00 0.00 C ATOM 260 C PHE A 20 1.539 3.087 -7.370 1.00 0.00 C ATOM 261 O PHE A 20 0.817 3.886 -6.775 1.00 0.00 O ATOM 262 CB PHE A 20 2.275 0.790 -6.707 1.00 0.00 C ATOM 263 CG PHE A 20 2.467 1.174 -5.267 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.321 2.208 -4.921 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.793 0.500 -4.261 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.500 2.565 -3.597 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.968 0.852 -2.936 1.00 0.00 C ATOM 268 CZ PHE A 20 2.823 1.885 -2.604 1.00 0.00 C ATOM 0 H PHE A 20 1.740 0.476 -9.097 1.00 0.00 H new ATOM 0 HA PHE A 20 0.240 1.455 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.019 -0.268 -6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.219 0.917 -7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.853 2.742 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.124 -0.309 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.168 3.374 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.437 0.320 -2.161 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.962 2.160 -1.569 1.00 0.00 H new ATOM 278 N GLU A 21 2.651 3.448 -8.002 1.00 0.00 N ATOM 279 CA GLU A 21 3.097 4.836 -8.031 1.00 0.00 C ATOM 280 C GLU A 21 1.929 5.776 -8.316 1.00 0.00 C ATOM 281 O GLU A 21 1.887 6.899 -7.816 1.00 0.00 O ATOM 282 CB GLU A 21 4.186 5.023 -9.090 1.00 0.00 C ATOM 283 CG GLU A 21 5.593 4.808 -8.560 1.00 0.00 C ATOM 284 CD GLU A 21 6.652 4.971 -9.633 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.438 5.779 -10.561 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.695 4.290 -9.544 1.00 0.00 O ATOM 0 H GLU A 21 3.259 2.799 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 21 3.507 5.080 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.006 4.329 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.112 6.030 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.786 5.516 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.667 3.809 -8.131 1.00 0.00 H new ATOM 293 N ASN A 22 0.983 5.308 -9.123 1.00 0.00 N ATOM 294 CA ASN A 22 -0.185 6.107 -9.476 1.00 0.00 C ATOM 295 C ASN A 22 -1.160 6.191 -8.305 1.00 0.00 C ATOM 296 O ASN A 22 -1.645 7.270 -7.965 1.00 0.00 O ATOM 297 CB ASN A 22 -0.888 5.509 -10.696 1.00 0.00 C ATOM 298 CG ASN A 22 -0.132 5.769 -11.985 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.317 6.887 -12.238 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.013 4.736 -12.805 1.00 0.00 N ATOM 0 H ASN A 22 1.002 4.380 -9.545 1.00 0.00 H new ATOM 0 HA ASN A 22 0.154 7.114 -9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.002 4.434 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.891 5.928 -10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.514 4.851 -13.686 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.376 3.827 -12.554 1.00 0.00 H new ATOM 307 N SER A 23 -1.441 5.046 -7.692 1.00 0.00 N ATOM 308 CA SER A 23 -2.360 4.990 -6.561 1.00 0.00 C ATOM 309 C SER A 23 -1.850 5.843 -5.404 1.00 0.00 C ATOM 310 O SER A 23 -2.554 6.723 -4.910 1.00 0.00 O ATOM 311 CB SER A 23 -2.546 3.543 -6.100 1.00 0.00 C ATOM 312 OG SER A 23 -3.159 2.760 -7.110 1.00 0.00 O ATOM 0 H SER A 23 -1.046 4.145 -7.959 1.00 0.00 H new ATOM 0 HA SER A 23 -3.322 5.387 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.578 3.114 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.157 3.521 -5.198 1.00 0.00 H new ATOM 0 HG SER A 23 -2.511 2.581 -7.823 1.00 0.00 H new ATOM 318 N MET A 24 -0.620 5.576 -4.977 1.00 0.00 N ATOM 319 CA MET A 24 -0.014 6.320 -3.879 1.00 0.00 C ATOM 320 C MET A 24 -0.122 7.823 -4.116 1.00 0.00 C ATOM 321 O MET A 24 -0.315 8.595 -3.178 1.00 0.00 O ATOM 322 CB MET A 24 1.454 5.922 -3.714 1.00 0.00 C ATOM 323 CG MET A 24 2.259 6.020 -5.000 1.00 0.00 C ATOM 324 SD MET A 24 3.994 6.409 -4.705 1.00 0.00 S ATOM 325 CE MET A 24 4.204 7.840 -5.761 1.00 0.00 C ATOM 0 H MET A 24 -0.024 4.850 -5.375 1.00 0.00 H new ATOM 0 HA MET A 24 -0.554 6.075 -2.965 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.912 6.560 -2.959 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.505 4.899 -3.340 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.189 5.076 -5.541 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.822 6.787 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.169 8.304 -5.557 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.164 7.531 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.407 8.557 -5.564 1.00 0.00 H new ATOM 335 N ASN A 25 0.005 8.230 -5.374 1.00 0.00 N ATOM 336 CA ASN A 25 -0.077 9.641 -5.733 1.00 0.00 C ATOM 337 C ASN A 25 -1.456 10.206 -5.407 1.00 0.00 C ATOM 338 O ASN A 25 -1.574 11.267 -4.796 1.00 0.00 O ATOM 339 CB ASN A 25 0.225 9.828 -7.222 1.00 0.00 C ATOM 340 CG ASN A 25 0.321 11.291 -7.612 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.437 12.167 -6.755 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.273 11.560 -8.912 1.00 0.00 N ATOM 0 H ASN A 25 0.165 7.603 -6.162 1.00 0.00 H new ATOM 0 HA ASN A 25 0.666 10.183 -5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.162 9.327 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.556 9.348 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.333 12.525 -9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.176 10.801 -9.587 1.00 0.00 H new ATOM 349 N GLN A 26 -2.496 9.487 -5.819 1.00 0.00 N ATOM 350 CA GLN A 26 -3.867 9.917 -5.571 1.00 0.00 C ATOM 351 C GLN A 26 -4.084 10.218 -4.092 1.00 0.00 C ATOM 352 O GLN A 26 -4.672 11.238 -3.734 1.00 0.00 O ATOM 353 CB GLN A 26 -4.852 8.844 -6.036 1.00 0.00 C ATOM 354 CG GLN A 26 -4.610 8.370 -7.459 1.00 0.00 C ATOM 355 CD GLN A 26 -4.098 9.475 -8.363 1.00 0.00 C ATOM 356 OE1 GLN A 26 -4.622 10.589 -8.357 1.00 0.00 O ATOM 357 NE2 GLN A 26 -3.069 9.171 -9.145 1.00 0.00 N ATOM 0 H GLN A 26 -2.415 8.605 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.043 10.831 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.790 7.990 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.866 9.237 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.890 7.552 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.539 7.972 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.666 8.234 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.681 9.874 -9.774 1.00 0.00 H new ATOM 366 N VAL A 27 -3.606 9.321 -3.235 1.00 0.00 N ATOM 367 CA VAL A 27 -3.746 9.490 -1.793 1.00 0.00 C ATOM 368 C VAL A 27 -3.088 10.783 -1.325 1.00 0.00 C ATOM 369 O VAL A 27 -3.460 11.345 -0.294 1.00 0.00 O ATOM 370 CB VAL A 27 -3.130 8.305 -1.026 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.269 8.511 0.475 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.778 6.998 -1.456 1.00 0.00 C ATOM 0 H VAL A 27 -3.118 8.470 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.814 9.533 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.068 8.252 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.828 7.664 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.754 9.427 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.325 8.590 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.331 6.171 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.847 7.036 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.621 6.848 -2.524 1.00 0.00 H new ATOM 382 N LYS A 28 -2.106 11.251 -2.088 1.00 0.00 N ATOM 383 CA LYS A 28 -1.395 12.479 -1.754 1.00 0.00 C ATOM 384 C LYS A 28 -2.128 13.699 -2.303 1.00 0.00 C ATOM 385 O LYS A 28 -1.946 14.816 -1.817 1.00 0.00 O ATOM 386 CB LYS A 28 0.030 12.435 -2.308 1.00 0.00 C ATOM 387 CG LYS A 28 0.873 11.310 -1.731 1.00 0.00 C ATOM 388 CD LYS A 28 2.344 11.488 -2.066 1.00 0.00 C ATOM 389 CE LYS A 28 3.130 10.208 -1.821 1.00 0.00 C ATOM 390 NZ LYS A 28 4.531 10.315 -2.313 1.00 0.00 N ATOM 0 H LYS A 28 -1.784 10.797 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.353 12.561 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.014 12.326 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.520 13.387 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.747 11.278 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.523 10.355 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.447 11.786 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.761 12.294 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.136 9.984 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.633 9.376 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.033 9.423 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.526 10.504 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.014 11.093 -1.820 1.00 0.00 H new ATOM 404 N LEU A 29 -2.957 13.478 -3.317 1.00 0.00 N ATOM 405 CA LEU A 29 -3.719 14.559 -3.932 1.00 0.00 C ATOM 406 C LEU A 29 -4.805 15.066 -2.988 1.00 0.00 C ATOM 407 O LEU A 29 -4.934 16.269 -2.762 1.00 0.00 O ATOM 408 CB LEU A 29 -4.348 14.085 -5.243 1.00 0.00 C ATOM 409 CG LEU A 29 -3.500 14.273 -6.502 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.019 14.194 -6.163 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.865 13.235 -7.552 1.00 0.00 C ATOM 0 H LEU A 29 -3.119 12.560 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.033 15.380 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.588 13.026 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.291 14.614 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.706 15.262 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.430 14.330 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.767 14.976 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.797 13.219 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.251 13.385 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.688 12.236 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.917 13.339 -7.816 1.00 0.00 H new ATOM 423 N LEU A 30 -5.582 14.139 -2.438 1.00 0.00 N ATOM 424 CA LEU A 30 -6.656 14.491 -1.515 1.00 0.00 C ATOM 425 C LEU A 30 -6.142 15.397 -0.401 1.00 0.00 C ATOM 426 O LEU A 30 -5.314 14.989 0.413 1.00 0.00 O ATOM 427 CB LEU A 30 -7.275 13.227 -0.916 1.00 0.00 C ATOM 428 CG LEU A 30 -6.372 12.413 0.012 1.00 0.00 C ATOM 429 CD1 LEU A 30 -6.495 12.909 1.445 1.00 0.00 C ATOM 430 CD2 LEU A 30 -6.715 10.933 -0.074 1.00 0.00 C ATOM 0 H LEU A 30 -5.489 13.139 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.419 15.032 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.169 13.512 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.598 12.582 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.339 12.545 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.846 12.319 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.200 13.957 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.528 12.807 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.063 10.369 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.753 10.782 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.575 10.586 -1.098 1.00 0.00 H new ATOM 442 N LYS A 31 -6.640 16.628 -0.370 1.00 0.00 N ATOM 443 CA LYS A 31 -6.235 17.592 0.646 1.00 0.00 C ATOM 444 C LYS A 31 -7.210 17.588 1.820 1.00 0.00 C ATOM 445 O LYS A 31 -7.299 18.561 2.570 1.00 0.00 O ATOM 446 CB LYS A 31 -6.152 18.996 0.043 1.00 0.00 C ATOM 447 CG LYS A 31 -5.213 19.926 0.791 1.00 0.00 C ATOM 448 CD LYS A 31 -3.757 19.583 0.521 1.00 0.00 C ATOM 449 CE LYS A 31 -2.823 20.348 1.446 1.00 0.00 C ATOM 450 NZ LYS A 31 -2.590 19.621 2.724 1.00 0.00 N ATOM 0 H LYS A 31 -7.325 16.982 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.250 17.302 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.823 18.918 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.149 19.435 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.406 20.957 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.411 19.861 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.604 18.512 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.514 19.815 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.870 20.514 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.246 21.330 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.949 20.175 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.496 19.485 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.162 18.694 2.523 1.00 0.00 H new ATOM 464 N LYS A 32 -7.939 16.488 1.974 1.00 0.00 N ATOM 465 CA LYS A 32 -8.906 16.356 3.057 1.00 0.00 C ATOM 466 C LYS A 32 -8.421 15.353 4.099 1.00 0.00 C ATOM 467 O LYS A 32 -7.394 14.700 3.915 1.00 0.00 O ATOM 468 CB LYS A 32 -10.264 15.917 2.505 1.00 0.00 C ATOM 469 CG LYS A 32 -11.000 17.015 1.757 1.00 0.00 C ATOM 470 CD LYS A 32 -12.318 16.517 1.190 1.00 0.00 C ATOM 471 CE LYS A 32 -13.402 16.470 2.256 1.00 0.00 C ATOM 472 NZ LYS A 32 -14.763 16.626 1.671 1.00 0.00 N ATOM 0 H LYS A 32 -7.878 15.674 1.362 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.013 17.329 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.118 15.068 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.887 15.570 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.186 17.853 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.373 17.388 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.635 17.169 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.180 15.522 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.344 15.523 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.228 17.260 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.473 16.588 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.828 17.541 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.940 15.857 0.993 1.00 0.00 H new ATOM 486 N ASP A 33 -9.167 15.236 5.193 1.00 0.00 N ATOM 487 CA ASP A 33 -8.814 14.311 6.263 1.00 0.00 C ATOM 488 C ASP A 33 -9.919 13.281 6.478 1.00 0.00 C ATOM 489 O ASP A 33 -10.868 13.501 7.230 1.00 0.00 O ATOM 490 CB ASP A 33 -8.553 15.076 7.562 1.00 0.00 C ATOM 491 CG ASP A 33 -9.586 16.157 7.814 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.716 15.814 8.221 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.265 17.345 7.605 1.00 0.00 O ATOM 0 H ASP A 33 -10.019 15.770 5.361 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.905 13.786 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.551 14.377 8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.562 15.527 7.522 1.00 0.00 H new ATOM 498 N PRO A 34 -9.795 12.130 5.800 1.00 0.00 N ATOM 499 CA PRO A 34 -10.774 11.044 5.900 1.00 0.00 C ATOM 500 C PRO A 34 -10.744 10.359 7.262 1.00 0.00 C ATOM 501 O PRO A 34 -11.758 9.844 7.731 1.00 0.00 O ATOM 502 CB PRO A 34 -10.336 10.070 4.802 1.00 0.00 C ATOM 503 CG PRO A 34 -8.881 10.333 4.622 1.00 0.00 C ATOM 504 CD PRO A 34 -8.689 11.800 4.886 1.00 0.00 C ATOM 0 HA PRO A 34 -11.796 11.405 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.518 9.036 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.887 10.242 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.288 9.732 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.559 10.073 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.719 12.003 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.740 12.384 3.967 1.00 0.00 H new ATOM 512 N GLY A 35 -9.573 10.358 7.893 1.00 0.00 N ATOM 513 CA GLY A 35 -9.434 9.734 9.196 1.00 0.00 C ATOM 514 C GLY A 35 -8.095 9.044 9.368 1.00 0.00 C ATOM 515 O GLY A 35 -7.419 8.734 8.388 1.00 0.00 O ATOM 0 H GLY A 35 -8.719 10.778 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.552 10.490 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.234 9.007 9.335 1.00 0.00 H new ATOM 519 N ASN A 36 -7.711 8.804 10.617 1.00 0.00 N ATOM 520 CA ASN A 36 -6.442 8.148 10.914 1.00 0.00 C ATOM 521 C ASN A 36 -6.475 6.683 10.490 1.00 0.00 C ATOM 522 O ASN A 36 -5.441 6.093 10.182 1.00 0.00 O ATOM 523 CB ASN A 36 -6.128 8.252 12.408 1.00 0.00 C ATOM 524 CG ASN A 36 -5.733 9.657 12.820 1.00 0.00 C ATOM 525 OD1 ASN A 36 -6.589 10.509 13.058 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.431 9.904 12.904 1.00 0.00 N ATOM 0 H ASN A 36 -8.260 9.054 11.440 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.659 8.653 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.000 7.940 12.982 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.320 7.563 12.655 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.104 10.831 13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.758 9.166 12.697 1.00 0.00 H new ATOM 533 N GLU A 37 -7.672 6.103 10.478 1.00 0.00 N ATOM 534 CA GLU A 37 -7.839 4.707 10.092 1.00 0.00 C ATOM 535 C GLU A 37 -7.253 4.451 8.707 1.00 0.00 C ATOM 536 O GLU A 37 -6.367 3.612 8.540 1.00 0.00 O ATOM 537 CB GLU A 37 -9.320 4.323 10.110 1.00 0.00 C ATOM 538 CG GLU A 37 -9.635 3.075 9.304 1.00 0.00 C ATOM 539 CD GLU A 37 -10.832 2.317 9.845 1.00 0.00 C ATOM 540 OE1 GLU A 37 -10.920 2.153 11.080 1.00 0.00 O ATOM 541 OE2 GLU A 37 -11.680 1.889 9.035 1.00 0.00 O ATOM 0 H GLU A 37 -8.539 6.578 10.731 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.303 4.091 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.634 4.167 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.907 5.155 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.825 3.355 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.765 2.419 9.303 1.00 0.00 H new ATOM 548 N VAL A 38 -7.754 5.180 7.715 1.00 0.00 N ATOM 549 CA VAL A 38 -7.281 5.034 6.343 1.00 0.00 C ATOM 550 C VAL A 38 -5.816 5.437 6.222 1.00 0.00 C ATOM 551 O VAL A 38 -4.987 4.667 5.735 1.00 0.00 O ATOM 552 CB VAL A 38 -8.118 5.881 5.367 1.00 0.00 C ATOM 553 CG1 VAL A 38 -8.127 7.340 5.799 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.587 5.740 3.949 1.00 0.00 C ATOM 0 H VAL A 38 -8.488 5.878 7.836 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.388 3.981 6.081 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.145 5.515 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.723 7.923 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.558 7.421 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.106 7.722 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.190 6.345 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.552 6.079 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.638 4.695 3.644 1.00 0.00 H new ATOM 564 N LYS A 39 -5.502 6.648 6.667 1.00 0.00 N ATOM 565 CA LYS A 39 -4.137 7.155 6.611 1.00 0.00 C ATOM 566 C LYS A 39 -3.151 6.125 7.152 1.00 0.00 C ATOM 567 O LYS A 39 -1.962 6.159 6.831 1.00 0.00 O ATOM 568 CB LYS A 39 -4.020 8.456 7.409 1.00 0.00 C ATOM 569 CG LYS A 39 -4.163 9.706 6.558 1.00 0.00 C ATOM 570 CD LYS A 39 -5.608 10.169 6.485 1.00 0.00 C ATOM 571 CE LYS A 39 -5.917 11.205 7.556 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.376 10.806 8.885 1.00 0.00 N ATOM 0 H LYS A 39 -6.176 7.298 7.071 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.893 7.353 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.785 8.466 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.054 8.478 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.545 10.502 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.793 9.507 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.806 10.592 5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.272 9.313 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.493 12.166 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.996 11.341 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.748 11.444 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.664 9.830 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.338 10.865 8.869 1.00 0.00 H new ATOM 586 N LEU A 40 -3.651 5.208 7.973 1.00 0.00 N ATOM 587 CA LEU A 40 -2.815 4.166 8.557 1.00 0.00 C ATOM 588 C LEU A 40 -2.783 2.929 7.665 1.00 0.00 C ATOM 589 O LEU A 40 -1.734 2.314 7.475 1.00 0.00 O ATOM 590 CB LEU A 40 -3.329 3.792 9.949 1.00 0.00 C ATOM 591 CG LEU A 40 -2.974 4.760 11.078 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.998 4.672 12.198 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.576 4.474 11.606 1.00 0.00 C ATOM 0 H LEU A 40 -4.632 5.165 8.249 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.800 4.555 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.414 3.703 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.939 2.807 10.206 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.989 5.774 10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.729 5.368 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.984 4.928 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.016 3.657 12.595 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.340 5.173 12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.533 3.454 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.852 4.590 10.800 1.00 0.00 H new ATOM 605 N LYS A 41 -3.940 2.570 7.119 1.00 0.00 N ATOM 606 CA LYS A 41 -4.046 1.409 6.243 1.00 0.00 C ATOM 607 C LYS A 41 -3.210 1.601 4.982 1.00 0.00 C ATOM 608 O LYS A 41 -2.741 0.632 4.383 1.00 0.00 O ATOM 609 CB LYS A 41 -5.508 1.161 5.866 1.00 0.00 C ATOM 610 CG LYS A 41 -5.937 1.873 4.595 1.00 0.00 C ATOM 611 CD LYS A 41 -7.336 1.459 4.169 1.00 0.00 C ATOM 612 CE LYS A 41 -8.254 1.281 5.368 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.674 1.099 4.957 1.00 0.00 N ATOM 0 H LYS A 41 -4.818 3.067 7.268 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.664 0.542 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.666 0.090 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.147 1.486 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.908 2.951 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.231 1.649 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.752 2.212 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.285 0.527 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.930 0.417 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.173 2.151 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.268 0.981 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.991 1.934 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.756 0.254 4.356 1.00 0.00 H new ATOM 627 N LEU A 42 -3.025 2.855 4.585 1.00 0.00 N ATOM 628 CA LEU A 42 -2.243 3.173 3.395 1.00 0.00 C ATOM 629 C LEU A 42 -0.749 3.097 3.689 1.00 0.00 C ATOM 630 O LEU A 42 0.048 2.744 2.819 1.00 0.00 O ATOM 631 CB LEU A 42 -2.603 4.569 2.883 1.00 0.00 C ATOM 632 CG LEU A 42 -3.731 4.636 1.853 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.437 3.716 0.679 1.00 0.00 C ATOM 634 CD2 LEU A 42 -5.063 4.275 2.496 1.00 0.00 C ATOM 0 H LEU A 42 -3.406 3.668 5.069 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.481 2.438 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.881 5.187 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.710 5.015 2.444 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.796 5.658 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.251 3.777 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.505 4.020 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.344 2.690 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.854 4.328 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.011 3.263 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.279 4.975 3.303 1.00 0.00 H new ATOM 646 N TYR A 43 -0.376 3.427 4.920 1.00 0.00 N ATOM 647 CA TYR A 43 1.023 3.395 5.329 1.00 0.00 C ATOM 648 C TYR A 43 1.461 1.973 5.668 1.00 0.00 C ATOM 649 O TYR A 43 2.599 1.584 5.409 1.00 0.00 O ATOM 650 CB TYR A 43 1.245 4.309 6.536 1.00 0.00 C ATOM 651 CG TYR A 43 2.307 3.809 7.488 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.643 4.144 7.308 1.00 0.00 C ATOM 653 CD2 TYR A 43 1.974 3.000 8.568 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.617 3.688 8.175 1.00 0.00 C ATOM 655 CE2 TYR A 43 2.941 2.541 9.441 1.00 0.00 C ATOM 656 CZ TYR A 43 4.261 2.888 9.240 1.00 0.00 C ATOM 657 OH TYR A 43 5.228 2.431 10.107 1.00 0.00 O ATOM 0 H TYR A 43 -1.023 3.720 5.652 1.00 0.00 H new ATOM 0 HA TYR A 43 1.626 3.752 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.524 5.302 6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.305 4.416 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.925 4.772 6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.942 2.726 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.651 3.957 8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.665 1.914 10.276 1.00 0.00 H new ATOM 0 HH TYR A 43 4.810 1.881 10.802 1.00 0.00 H new ATOM 667 N ALA A 44 0.546 1.202 6.247 1.00 0.00 N ATOM 668 CA ALA A 44 0.835 -0.177 6.619 1.00 0.00 C ATOM 669 C ALA A 44 1.313 -0.982 5.415 1.00 0.00 C ATOM 670 O ALA A 44 2.315 -1.694 5.490 1.00 0.00 O ATOM 671 CB ALA A 44 -0.396 -0.826 7.235 1.00 0.00 C ATOM 0 H ALA A 44 -0.401 1.509 6.468 1.00 0.00 H new ATOM 0 HA ALA A 44 1.636 -0.168 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.166 -1.856 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.692 -0.272 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.212 -0.816 6.513 1.00 0.00 H new ATOM 677 N LEU A 45 0.591 -0.864 4.306 1.00 0.00 N ATOM 678 CA LEU A 45 0.942 -1.581 3.085 1.00 0.00 C ATOM 679 C LEU A 45 2.231 -1.033 2.483 1.00 0.00 C ATOM 680 O LEU A 45 3.132 -1.791 2.124 1.00 0.00 O ATOM 681 CB LEU A 45 -0.195 -1.479 2.066 1.00 0.00 C ATOM 682 CG LEU A 45 -1.389 -2.406 2.298 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.918 -3.783 2.738 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.335 -1.809 3.329 1.00 0.00 C ATOM 0 H LEU A 45 -0.241 -0.279 4.227 1.00 0.00 H new ATOM 0 HA LEU A 45 1.100 -2.629 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.556 -0.450 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.212 -1.684 1.076 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.930 -2.513 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.781 -4.429 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.281 -4.214 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.353 -3.695 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.179 -2.482 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.806 -1.671 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.699 -0.845 2.973 1.00 0.00 H new ATOM 696 N TYR A 46 2.312 0.289 2.376 1.00 0.00 N ATOM 697 CA TYR A 46 3.491 0.939 1.817 1.00 0.00 C ATOM 698 C TYR A 46 4.770 0.314 2.365 1.00 0.00 C ATOM 699 O TYR A 46 5.623 -0.152 1.609 1.00 0.00 O ATOM 700 CB TYR A 46 3.469 2.437 2.127 1.00 0.00 C ATOM 701 CG TYR A 46 4.828 3.094 2.038 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.511 3.162 0.830 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.429 3.646 3.163 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.753 3.761 0.745 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.670 4.248 3.087 1.00 0.00 C ATOM 706 CZ TYR A 46 7.328 4.303 1.876 1.00 0.00 C ATOM 707 OH TYR A 46 8.565 4.900 1.796 1.00 0.00 O ATOM 0 H TYR A 46 1.575 0.931 2.669 1.00 0.00 H new ATOM 0 HA TYR A 46 3.473 0.798 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.789 2.933 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.068 2.586 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.063 2.739 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.917 3.604 4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.271 3.805 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.122 4.673 3.971 1.00 0.00 H new ATOM 0 HH TYR A 46 8.826 5.231 2.681 1.00 0.00 H new ATOM 717 N LYS A 47 4.897 0.307 3.688 1.00 0.00 N ATOM 718 CA LYS A 47 6.070 -0.262 4.342 1.00 0.00 C ATOM 719 C LYS A 47 6.104 -1.777 4.175 1.00 0.00 C ATOM 720 O LYS A 47 7.134 -2.412 4.401 1.00 0.00 O ATOM 721 CB LYS A 47 6.075 0.099 5.829 1.00 0.00 C ATOM 722 CG LYS A 47 5.979 1.591 6.094 1.00 0.00 C ATOM 723 CD LYS A 47 7.353 2.238 6.149 1.00 0.00 C ATOM 724 CE LYS A 47 8.020 2.016 7.498 1.00 0.00 C ATOM 725 NZ LYS A 47 9.251 2.840 7.650 1.00 0.00 N ATOM 0 H LYS A 47 4.201 0.689 4.329 1.00 0.00 H new ATOM 0 HA LYS A 47 6.958 0.158 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.240 -0.403 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.988 -0.284 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.385 2.063 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.458 1.761 7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.982 1.827 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.261 3.307 5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.318 2.261 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.273 0.962 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.620 2.738 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.970 2.519 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.025 3.839 7.469 1.00 0.00 H new ATOM 739 N GLN A 48 4.973 -2.350 3.776 1.00 0.00 N ATOM 740 CA GLN A 48 4.875 -3.791 3.578 1.00 0.00 C ATOM 741 C GLN A 48 5.286 -4.175 2.160 1.00 0.00 C ATOM 742 O GLN A 48 5.766 -5.282 1.921 1.00 0.00 O ATOM 743 CB GLN A 48 3.450 -4.270 3.857 1.00 0.00 C ATOM 744 CG GLN A 48 3.345 -5.769 4.085 1.00 0.00 C ATOM 745 CD GLN A 48 3.516 -6.151 5.542 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.401 -5.310 6.434 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.792 -7.426 5.791 1.00 0.00 N ATOM 0 H GLN A 48 4.112 -1.838 3.584 1.00 0.00 H new ATOM 0 HA GLN A 48 5.556 -4.276 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.066 -3.750 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.812 -3.993 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.375 -6.119 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.103 -6.277 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.878 -8.089 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.918 -7.742 6.753 1.00 0.00 H new ATOM 756 N ALA A 49 5.092 -3.253 1.223 1.00 0.00 N ATOM 757 CA ALA A 49 5.443 -3.494 -0.170 1.00 0.00 C ATOM 758 C ALA A 49 6.797 -2.880 -0.510 1.00 0.00 C ATOM 759 O ALA A 49 7.179 -2.797 -1.678 1.00 0.00 O ATOM 760 CB ALA A 49 4.365 -2.940 -1.090 1.00 0.00 C ATOM 0 H ALA A 49 4.693 -2.332 1.404 1.00 0.00 H new ATOM 0 HA ALA A 49 5.514 -4.571 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.641 -3.127 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.415 -3.429 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.266 -1.867 -0.929 1.00 0.00 H new ATOM 766 N THR A 50 7.521 -2.449 0.519 1.00 0.00 N ATOM 767 CA THR A 50 8.832 -1.841 0.330 1.00 0.00 C ATOM 768 C THR A 50 9.858 -2.438 1.286 1.00 0.00 C ATOM 769 O THR A 50 10.978 -2.758 0.888 1.00 0.00 O ATOM 770 CB THR A 50 8.779 -0.316 0.539 1.00 0.00 C ATOM 771 OG1 THR A 50 8.200 -0.016 1.814 1.00 0.00 O ATOM 772 CG2 THR A 50 7.969 0.353 -0.562 1.00 0.00 C ATOM 0 H THR A 50 7.221 -2.510 1.492 1.00 0.00 H new ATOM 0 HA THR A 50 9.132 -2.050 -0.697 1.00 0.00 H new ATOM 0 HB THR A 50 9.798 0.069 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.259 -0.291 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.945 1.430 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.429 0.147 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.952 -0.038 -0.554 1.00 0.00 H new ATOM 780 N GLU A 51 9.469 -2.585 2.548 1.00 0.00 N ATOM 781 CA GLU A 51 10.357 -3.144 3.561 1.00 0.00 C ATOM 782 C GLU A 51 9.961 -4.579 3.900 1.00 0.00 C ATOM 783 O GLU A 51 10.815 -5.424 4.162 1.00 0.00 O ATOM 784 CB GLU A 51 10.331 -2.284 4.826 1.00 0.00 C ATOM 785 CG GLU A 51 10.455 -0.795 4.551 1.00 0.00 C ATOM 786 CD GLU A 51 10.601 0.022 5.820 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.322 -0.426 6.735 1.00 0.00 O ATOM 788 OE2 GLU A 51 9.993 1.111 5.898 1.00 0.00 O ATOM 0 H GLU A 51 8.545 -2.325 2.894 1.00 0.00 H new ATOM 0 HA GLU A 51 11.369 -3.150 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.401 -2.470 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.145 -2.593 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.318 -0.619 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.575 -0.456 4.004 1.00 0.00 H new ATOM 795 N GLY A 52 8.658 -4.844 3.893 1.00 0.00 N ATOM 796 CA GLY A 52 8.171 -6.176 4.202 1.00 0.00 C ATOM 797 C GLY A 52 7.385 -6.220 5.497 1.00 0.00 C ATOM 798 O GLY A 52 6.690 -5.270 5.859 1.00 0.00 O ATOM 0 H GLY A 52 7.932 -4.161 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.540 -6.527 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.016 -6.862 4.270 1.00 0.00 H new ATOM 802 N PRO A 53 7.490 -7.345 6.220 1.00 0.00 N ATOM 803 CA PRO A 53 6.789 -7.536 7.493 1.00 0.00 C ATOM 804 C PRO A 53 7.353 -6.656 8.603 1.00 0.00 C ATOM 805 O PRO A 53 8.567 -6.485 8.716 1.00 0.00 O ATOM 806 CB PRO A 53 7.028 -9.015 7.811 1.00 0.00 C ATOM 807 CG PRO A 53 8.290 -9.356 7.097 1.00 0.00 C ATOM 808 CD PRO A 53 8.301 -8.517 5.849 1.00 0.00 C ATOM 0 HA PRO A 53 5.736 -7.265 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.124 -9.179 8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.199 -9.633 7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.160 -9.142 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.326 -10.418 6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.314 -8.231 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.871 -9.051 5.002 1.00 0.00 H new ATOM 816 N CYS A 54 6.464 -6.099 9.419 1.00 0.00 N ATOM 817 CA CYS A 54 6.874 -5.235 10.520 1.00 0.00 C ATOM 818 C CYS A 54 7.999 -5.877 11.326 1.00 0.00 C ATOM 819 O CYS A 54 7.771 -6.812 12.091 1.00 0.00 O ATOM 820 CB CYS A 54 5.683 -4.937 11.432 1.00 0.00 C ATOM 821 SG CYS A 54 6.132 -4.169 13.006 1.00 0.00 S ATOM 0 H CYS A 54 5.456 -6.230 9.339 1.00 0.00 H new ATOM 0 HA CYS A 54 7.242 -4.300 10.098 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.990 -4.281 10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.151 -5.867 11.633 1.00 0.00 H new ATOM 0 HG CYS A 54 5.282 -3.227 13.287 1.00 0.00 H new ATOM 827 N ASN A 55 9.213 -5.368 11.145 1.00 0.00 N ATOM 828 CA ASN A 55 10.375 -5.893 11.854 1.00 0.00 C ATOM 829 C ASN A 55 11.015 -4.815 12.723 1.00 0.00 C ATOM 830 O ASN A 55 12.174 -4.932 13.122 1.00 0.00 O ATOM 831 CB ASN A 55 11.401 -6.439 10.859 1.00 0.00 C ATOM 832 CG ASN A 55 12.178 -5.336 10.166 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.283 -4.985 10.581 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.602 -4.784 9.105 1.00 0.00 N ATOM 0 H ASN A 55 9.418 -4.593 10.514 1.00 0.00 H new ATOM 0 HA ASN A 55 10.040 -6.703 12.501 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.096 -7.096 11.382 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.891 -7.045 10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.077 -4.037 8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.685 -5.107 8.797 1.00 0.00 H new ATOM 841 N MET A 56 10.253 -3.765 13.012 1.00 0.00 N ATOM 842 CA MET A 56 10.746 -2.667 13.835 1.00 0.00 C ATOM 843 C MET A 56 10.357 -2.866 15.296 1.00 0.00 C ATOM 844 O MET A 56 9.395 -3.563 15.618 1.00 0.00 O ATOM 845 CB MET A 56 10.196 -1.333 13.326 1.00 0.00 C ATOM 846 CG MET A 56 8.719 -1.381 12.970 1.00 0.00 C ATOM 847 SD MET A 56 8.042 0.248 12.595 1.00 0.00 S ATOM 848 CE MET A 56 8.374 1.113 14.128 1.00 0.00 C ATOM 0 H MET A 56 9.292 -3.652 12.689 1.00 0.00 H new ATOM 0 HA MET A 56 11.834 -2.654 13.765 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.353 -0.570 14.088 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.763 -1.027 12.447 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.578 -2.036 12.110 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.163 -1.819 13.799 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.504 1.708 14.406 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.585 0.390 14.916 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.235 1.768 13.997 1.00 0.00 H new ATOM 858 N PRO A 57 11.122 -2.240 16.204 1.00 0.00 N ATOM 859 CA PRO A 57 10.876 -2.334 17.646 1.00 0.00 C ATOM 860 C PRO A 57 9.606 -1.601 18.066 1.00 0.00 C ATOM 861 O PRO A 57 9.355 -0.475 17.636 1.00 0.00 O ATOM 862 CB PRO A 57 12.108 -1.664 18.260 1.00 0.00 C ATOM 863 CG PRO A 57 12.597 -0.733 17.206 1.00 0.00 C ATOM 864 CD PRO A 57 12.285 -1.393 15.891 1.00 0.00 C ATOM 0 HA PRO A 57 10.729 -3.365 17.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.853 -1.128 19.174 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.869 -2.399 18.523 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.104 0.236 17.283 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.667 -0.555 17.309 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.052 -0.660 15.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.126 -1.983 15.528 1.00 0.00 H new ATOM 872 N LYS A 58 8.808 -2.246 18.910 1.00 0.00 N ATOM 873 CA LYS A 58 7.564 -1.656 19.390 1.00 0.00 C ATOM 874 C LYS A 58 7.831 -0.341 20.115 1.00 0.00 C ATOM 875 O LYS A 58 8.616 -0.274 21.062 1.00 0.00 O ATOM 876 CB LYS A 58 6.842 -2.628 20.325 1.00 0.00 C ATOM 877 CG LYS A 58 5.412 -2.222 20.639 1.00 0.00 C ATOM 878 CD LYS A 58 4.558 -3.424 21.006 1.00 0.00 C ATOM 879 CE LYS A 58 3.200 -2.999 21.543 1.00 0.00 C ATOM 880 NZ LYS A 58 3.251 -2.689 22.998 1.00 0.00 N ATOM 0 H LYS A 58 9.001 -3.178 19.276 1.00 0.00 H new ATOM 0 HA LYS A 58 6.930 -1.453 18.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.838 -3.619 19.872 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.402 -2.706 21.257 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.408 -1.507 21.462 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.979 -1.717 19.776 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.422 -4.057 20.129 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.075 -4.024 21.755 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.852 -2.122 20.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.475 -3.793 21.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.314 -2.371 23.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.526 -3.542 23.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.949 -1.937 23.168 1.00 0.00 H new ATOM 894 N PRO A 59 7.163 0.731 19.664 1.00 0.00 N ATOM 895 CA PRO A 59 7.310 2.064 20.257 1.00 0.00 C ATOM 896 C PRO A 59 6.699 2.148 21.652 1.00 0.00 C ATOM 897 O PRO A 59 5.986 1.243 22.084 1.00 0.00 O ATOM 898 CB PRO A 59 6.552 2.971 19.285 1.00 0.00 C ATOM 899 CG PRO A 59 5.557 2.076 18.630 1.00 0.00 C ATOM 900 CD PRO A 59 6.212 0.725 18.540 1.00 0.00 C ATOM 0 HA PRO A 59 8.357 2.339 20.388 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.062 3.791 19.809 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.225 3.417 18.553 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.636 2.025 19.211 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.290 2.447 17.640 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.484 -0.081 18.634 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.719 0.587 17.585 1.00 0.00 H new ATOM 908 N GLY A 60 6.983 3.242 22.353 1.00 0.00 N ATOM 909 CA GLY A 60 6.453 3.424 23.691 1.00 0.00 C ATOM 910 C GLY A 60 5.135 4.173 23.696 1.00 0.00 C ATOM 911 O GLY A 60 4.862 4.968 22.797 1.00 0.00 O ATOM 0 H GLY A 60 7.571 4.005 22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.315 2.450 24.159 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.179 3.968 24.295 1.00 0.00 H new ATOM 915 N VAL A 61 4.315 3.919 24.711 1.00 0.00 N ATOM 916 CA VAL A 61 3.019 4.576 24.829 1.00 0.00 C ATOM 917 C VAL A 61 3.139 6.076 24.589 1.00 0.00 C ATOM 918 O VAL A 61 2.400 6.648 23.786 1.00 0.00 O ATOM 919 CB VAL A 61 2.393 4.337 26.216 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.887 2.908 26.335 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.399 4.649 27.314 1.00 0.00 C ATOM 0 H VAL A 61 4.525 3.263 25.463 1.00 0.00 H new ATOM 0 HA VAL A 61 2.373 4.140 24.067 1.00 0.00 H new ATOM 0 HB VAL A 61 1.542 5.008 26.332 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.448 2.758 27.322 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.132 2.724 25.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.717 2.215 26.198 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.941 4.475 28.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.271 4.004 27.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.707 5.692 27.239 1.00 0.00 H new ATOM 931 N PHE A 62 4.074 6.709 25.289 1.00 0.00 N ATOM 932 CA PHE A 62 4.291 8.145 25.152 1.00 0.00 C ATOM 933 C PHE A 62 4.273 8.560 23.684 1.00 0.00 C ATOM 934 O PHE A 62 3.864 9.671 23.347 1.00 0.00 O ATOM 935 CB PHE A 62 5.623 8.544 25.790 1.00 0.00 C ATOM 936 CG PHE A 62 5.929 7.796 27.057 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.953 7.617 28.024 1.00 0.00 C ATOM 938 CD2 PHE A 62 7.192 7.273 27.280 1.00 0.00 C ATOM 939 CE1 PHE A 62 5.232 6.930 29.190 1.00 0.00 C ATOM 940 CE2 PHE A 62 7.477 6.584 28.444 1.00 0.00 C ATOM 941 CZ PHE A 62 6.495 6.412 29.400 1.00 0.00 C ATOM 0 H PHE A 62 4.694 6.251 25.957 1.00 0.00 H new ATOM 0 HA PHE A 62 3.480 8.660 25.667 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.426 8.372 25.073 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.609 9.613 26.003 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.963 8.019 27.865 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.963 7.405 26.536 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.463 6.798 29.937 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.466 6.181 28.606 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.714 5.873 30.310 1.00 0.00 H new ATOM 951 N ASP A 63 4.720 7.660 22.815 1.00 0.00 N ATOM 952 CA ASP A 63 4.755 7.932 21.383 1.00 0.00 C ATOM 953 C ASP A 63 3.543 7.323 20.684 1.00 0.00 C ATOM 954 O ASP A 63 3.672 6.380 19.902 1.00 0.00 O ATOM 955 CB ASP A 63 6.043 7.380 20.769 1.00 0.00 C ATOM 956 CG ASP A 63 7.208 8.341 20.906 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.234 9.106 21.894 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.093 8.329 20.026 1.00 0.00 O ATOM 0 H ASP A 63 5.063 6.736 23.077 1.00 0.00 H new ATOM 0 HA ASP A 63 4.728 9.013 21.243 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.296 6.436 21.251 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.876 7.164 19.714 1.00 0.00 H new ATOM 963 N LEU A 64 2.366 7.868 20.972 1.00 0.00 N ATOM 964 CA LEU A 64 1.130 7.378 20.373 1.00 0.00 C ATOM 965 C LEU A 64 1.216 7.403 18.850 1.00 0.00 C ATOM 966 O LEU A 64 0.762 6.477 18.178 1.00 0.00 O ATOM 967 CB LEU A 64 -0.057 8.222 20.841 1.00 0.00 C ATOM 968 CG LEU A 64 -0.159 8.458 22.349 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.303 9.409 22.664 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.342 7.138 23.084 1.00 0.00 C ATOM 0 H LEU A 64 2.242 8.649 21.616 1.00 0.00 H new ATOM 0 HA LEU A 64 0.984 6.347 20.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.007 9.191 20.344 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.975 7.739 20.506 1.00 0.00 H new ATOM 0 HG LEU A 64 0.770 8.915 22.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.360 9.565 23.741 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.130 10.364 22.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.240 8.981 22.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.413 7.325 24.156 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.255 6.653 22.739 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.511 6.489 22.884 1.00 0.00 H new ATOM 982 N ILE A 65 1.803 8.467 18.313 1.00 0.00 N ATOM 983 CA ILE A 65 1.952 8.610 16.870 1.00 0.00 C ATOM 984 C ILE A 65 2.523 7.341 16.248 1.00 0.00 C ATOM 985 O ILE A 65 1.923 6.754 15.348 1.00 0.00 O ATOM 986 CB ILE A 65 2.864 9.799 16.513 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.338 11.084 17.156 1.00 0.00 C ATOM 988 CG2 ILE A 65 2.962 9.957 15.003 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.910 12.343 16.543 1.00 0.00 C ATOM 0 H ILE A 65 2.183 9.243 18.855 1.00 0.00 H new ATOM 0 HA ILE A 65 0.956 8.793 16.467 1.00 0.00 H new ATOM 0 HB ILE A 65 3.863 9.602 16.903 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.252 11.107 17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.571 11.070 18.221 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.610 10.801 14.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.378 9.048 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.969 10.135 14.591 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.494 13.215 17.047 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.994 12.342 16.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.655 12.380 15.484 1.00 0.00 H new ATOM 1001 N ASN A 66 3.686 6.921 16.735 1.00 0.00 N ATOM 1002 CA ASN A 66 4.338 5.719 16.227 1.00 0.00 C ATOM 1003 C ASN A 66 3.521 4.475 16.561 1.00 0.00 C ATOM 1004 O ASN A 66 3.281 3.627 15.701 1.00 0.00 O ATOM 1005 CB ASN A 66 5.745 5.591 16.813 1.00 0.00 C ATOM 1006 CG ASN A 66 6.697 6.638 16.266 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.312 6.445 15.217 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.823 7.752 16.976 1.00 0.00 N ATOM 0 H ASN A 66 4.196 7.395 17.480 1.00 0.00 H new ATOM 0 HA ASN A 66 4.410 5.805 15.143 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.693 5.682 17.898 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.137 4.598 16.595 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.449 8.491 16.658 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.293 7.869 17.840 1.00 0.00 H new ATOM 1015 N LYS A 67 3.095 4.372 17.815 1.00 0.00 N ATOM 1016 CA LYS A 67 2.303 3.233 18.264 1.00 0.00 C ATOM 1017 C LYS A 67 1.126 2.986 17.326 1.00 0.00 C ATOM 1018 O LYS A 67 0.740 1.842 17.087 1.00 0.00 O ATOM 1019 CB LYS A 67 1.795 3.468 19.688 1.00 0.00 C ATOM 1020 CG LYS A 67 1.595 2.189 20.482 1.00 0.00 C ATOM 1021 CD LYS A 67 2.923 1.545 20.844 1.00 0.00 C ATOM 1022 CE LYS A 67 2.830 0.774 22.152 1.00 0.00 C ATOM 1023 NZ LYS A 67 3.158 1.631 23.326 1.00 0.00 N ATOM 0 H LYS A 67 3.285 5.064 18.539 1.00 0.00 H new ATOM 0 HA LYS A 67 2.943 2.351 18.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.503 4.107 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.850 4.009 19.643 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.036 2.408 21.392 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.996 1.488 19.900 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.232 0.872 20.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.691 2.314 20.927 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.823 0.372 22.266 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.511 -0.076 22.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.086 1.357 23.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.186 2.628 23.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.432 1.507 24.060 1.00 0.00 H new ATOM 1037 N ALA A 68 0.560 4.065 16.797 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.571 3.965 15.882 1.00 0.00 C ATOM 1039 C ALA A 68 -0.171 3.261 14.590 1.00 0.00 C ATOM 1040 O ALA A 68 -0.897 2.403 14.088 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.130 5.347 15.581 1.00 0.00 C ATOM 0 H ALA A 68 0.866 5.019 16.986 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.346 3.369 16.365 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.974 5.257 14.897 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.463 5.815 16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.355 5.961 15.122 1.00 0.00 H new ATOM 1047 N LYS A 69 0.988 3.629 14.055 1.00 0.00 N ATOM 1048 CA LYS A 69 1.486 3.033 12.821 1.00 0.00 C ATOM 1049 C LYS A 69 1.955 1.601 13.059 1.00 0.00 C ATOM 1050 O LYS A 69 1.625 0.695 12.295 1.00 0.00 O ATOM 1051 CB LYS A 69 2.634 3.870 12.253 1.00 0.00 C ATOM 1052 CG LYS A 69 2.173 5.004 11.354 1.00 0.00 C ATOM 1053 CD LYS A 69 1.943 6.282 12.142 1.00 0.00 C ATOM 1054 CE LYS A 69 1.269 7.348 11.291 1.00 0.00 C ATOM 1055 NZ LYS A 69 -0.215 7.276 11.384 1.00 0.00 N ATOM 0 H LYS A 69 1.601 4.338 14.457 1.00 0.00 H new ATOM 0 HA LYS A 69 0.668 3.013 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.213 4.284 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.303 3.219 11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.919 5.182 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.251 4.717 10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.325 6.067 13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.896 6.659 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.605 8.334 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.574 7.229 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.618 8.223 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.577 6.628 10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.487 6.927 12.325 1.00 0.00 H new ATOM 1069 N TRP A 70 2.725 1.406 14.123 1.00 0.00 N ATOM 1070 CA TRP A 70 3.239 0.083 14.462 1.00 0.00 C ATOM 1071 C TRP A 70 2.132 -0.963 14.398 1.00 0.00 C ATOM 1072 O TRP A 70 2.359 -2.094 13.967 1.00 0.00 O ATOM 1073 CB TRP A 70 3.862 0.098 15.859 1.00 0.00 C ATOM 1074 CG TRP A 70 4.802 -1.044 16.102 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.115 -1.117 15.735 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.499 -2.276 16.765 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.647 -2.321 16.129 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.676 -3.050 16.764 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.349 -2.801 17.361 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.733 -4.319 17.335 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.407 -4.060 17.926 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.593 -4.807 17.911 1.00 0.00 C ATOM 0 H TRP A 70 3.007 2.146 14.766 1.00 0.00 H new ATOM 0 HA TRP A 70 4.005 -0.180 13.733 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.398 1.037 16.000 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.067 0.070 16.604 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.656 -0.342 15.212 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.609 -2.623 15.974 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.431 -2.232 17.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.645 -4.897 17.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.523 -4.476 18.387 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.607 -5.788 18.363 1.00 0.00 H new ATOM 1093 N ASP A 71 0.935 -0.580 14.827 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.208 -1.485 14.817 1.00 0.00 C ATOM 1095 C ASP A 71 -0.768 -1.637 13.406 1.00 0.00 C ATOM 1096 O ASP A 71 -1.383 -2.650 13.077 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.299 -0.976 15.760 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.053 -1.379 17.201 1.00 0.00 C ATOM 1099 OD1 ASP A 71 0.047 -1.092 17.717 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.960 -1.983 17.811 1.00 0.00 O ATOM 0 H ASP A 71 0.731 0.352 15.187 1.00 0.00 H new ATOM 0 HA ASP A 71 0.131 -2.462 15.162 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.354 0.111 15.694 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.265 -1.365 15.437 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.552 -0.621 12.577 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.035 -0.641 11.201 1.00 0.00 C ATOM 1107 C ALA A 72 -0.137 -1.500 10.317 1.00 0.00 C ATOM 1108 O ALA A 72 -0.620 -2.285 9.502 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.122 0.775 10.652 1.00 0.00 C ATOM 0 H ALA A 72 -0.046 0.226 12.834 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.032 -1.082 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.484 0.745 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.810 1.360 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.134 1.236 10.676 1.00 0.00 H new ATOM 1115 N TRP A 73 1.172 -1.344 10.483 1.00 0.00 N ATOM 1116 CA TRP A 73 2.138 -2.105 9.699 1.00 0.00 C ATOM 1117 C TRP A 73 2.306 -3.513 10.260 1.00 0.00 C ATOM 1118 O TRP A 73 2.559 -4.461 9.518 1.00 0.00 O ATOM 1119 CB TRP A 73 3.487 -1.386 9.677 1.00 0.00 C ATOM 1120 CG TRP A 73 4.504 -2.058 8.804 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.272 -3.036 7.879 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.913 -1.804 8.777 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.452 -3.404 7.278 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.473 -2.662 7.811 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.755 -0.933 9.474 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.836 -2.674 7.527 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.108 -0.946 9.191 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.637 -1.811 8.224 1.00 0.00 C ATOM 0 H TRP A 73 1.588 -0.698 11.153 1.00 0.00 H new ATOM 0 HA TRP A 73 1.760 -2.184 8.680 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.340 -0.363 9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.875 -1.325 10.694 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.304 -3.458 7.653 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.551 -4.114 6.553 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.356 -0.262 10.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.246 -3.341 6.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.768 -0.278 9.724 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.698 -1.796 8.025 1.00 0.00 H new ATOM 1139 N ASN A 74 2.164 -3.642 11.575 1.00 0.00 N ATOM 1140 CA ASN A 74 2.301 -4.935 12.236 1.00 0.00 C ATOM 1141 C ASN A 74 1.139 -5.855 11.877 1.00 0.00 C ATOM 1142 O ASN A 74 1.342 -6.996 11.462 1.00 0.00 O ATOM 1143 CB ASN A 74 2.371 -4.751 13.753 1.00 0.00 C ATOM 1144 CG ASN A 74 2.352 -6.072 14.497 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.795 -7.097 13.978 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.836 -6.054 15.721 1.00 0.00 N ATOM 0 H ASN A 74 1.954 -2.867 12.204 1.00 0.00 H new ATOM 0 HA ASN A 74 3.226 -5.396 11.890 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.280 -4.206 14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.530 -4.140 14.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.796 -6.913 16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.480 -5.182 16.112 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.080 -5.351 12.039 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.275 -6.126 11.730 1.00 0.00 C ATOM 1155 C ALA A 75 -1.058 -7.002 10.501 1.00 0.00 C ATOM 1156 O ALA A 75 -1.486 -8.156 10.465 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.464 -5.200 11.518 1.00 0.00 C ATOM 0 H ALA A 75 -0.266 -4.409 12.383 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.484 -6.779 12.577 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.350 -5.792 11.288 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.640 -4.621 12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.255 -4.523 10.690 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.392 -6.446 9.494 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.119 -7.177 8.262 1.00 0.00 C ATOM 1165 C LEU A 76 0.541 -8.520 8.560 1.00 0.00 C ATOM 1166 O LEU A 76 0.082 -9.564 8.099 1.00 0.00 O ATOM 1167 CB LEU A 76 0.779 -6.348 7.342 1.00 0.00 C ATOM 1168 CG LEU A 76 0.075 -5.285 6.498 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.662 -5.929 5.334 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.885 -4.472 7.355 1.00 0.00 C ATOM 0 H LEU A 76 -0.032 -5.492 9.507 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.069 -7.363 7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.536 -5.856 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.304 -7.028 6.671 1.00 0.00 H new ATOM 0 HG LEU A 76 0.830 -4.611 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.157 -5.157 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.049 -6.465 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.407 -6.627 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.377 -3.720 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.635 -5.133 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.331 -3.979 8.154 1.00 0.00 H new ATOM 1182 N GLY A 77 1.619 -8.484 9.336 1.00 0.00 N ATOM 1183 CA GLY A 77 2.324 -9.704 9.684 1.00 0.00 C ATOM 1184 C GLY A 77 3.351 -10.098 8.642 1.00 0.00 C ATOM 1185 O GLY A 77 4.166 -9.276 8.222 1.00 0.00 O ATOM 0 H GLY A 77 2.017 -7.632 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.819 -9.572 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.604 -10.514 9.805 1.00 0.00 H new ATOM 1189 N SER A 78 3.315 -11.359 8.224 1.00 0.00 N ATOM 1190 CA SER A 78 4.254 -11.862 7.229 1.00 0.00 C ATOM 1191 C SER A 78 3.732 -11.615 5.816 1.00 0.00 C ATOM 1192 O SER A 78 4.056 -12.353 4.884 1.00 0.00 O ATOM 1193 CB SER A 78 4.501 -13.357 7.439 1.00 0.00 C ATOM 1194 OG SER A 78 5.562 -13.819 6.621 1.00 0.00 O ATOM 0 H SER A 78 2.645 -12.051 8.559 1.00 0.00 H new ATOM 0 HA SER A 78 5.195 -11.325 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.736 -13.546 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.593 -13.914 7.211 1.00 0.00 H new ATOM 0 HG SER A 78 5.431 -13.499 5.704 1.00 0.00 H new ATOM 1200 N LEU A 79 2.923 -10.573 5.665 1.00 0.00 N ATOM 1201 CA LEU A 79 2.355 -10.227 4.367 1.00 0.00 C ATOM 1202 C LEU A 79 3.455 -9.899 3.362 1.00 0.00 C ATOM 1203 O LEU A 79 4.287 -9.018 3.580 1.00 0.00 O ATOM 1204 CB LEU A 79 1.404 -9.037 4.505 1.00 0.00 C ATOM 1205 CG LEU A 79 0.397 -8.847 3.370 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.115 -8.534 2.067 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.474 -10.085 3.217 1.00 0.00 C ATOM 0 H LEU A 79 2.645 -9.953 6.426 1.00 0.00 H new ATOM 0 HA LEU A 79 1.798 -11.089 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.852 -9.145 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.001 -8.129 4.590 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.247 -8.003 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.383 -8.402 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.695 -7.618 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.783 -9.357 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.185 -9.932 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.155 -10.947 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.017 -10.265 4.145 1.00 0.00 H new ATOM 1219 N PRO A 80 3.458 -10.621 2.232 1.00 0.00 N ATOM 1220 CA PRO A 80 4.448 -10.424 1.169 1.00 0.00 C ATOM 1221 C PRO A 80 4.256 -9.099 0.437 1.00 0.00 C ATOM 1222 O PRO A 80 3.153 -8.554 0.397 1.00 0.00 O ATOM 1223 CB PRO A 80 4.192 -11.599 0.223 1.00 0.00 C ATOM 1224 CG PRO A 80 2.767 -11.967 0.452 1.00 0.00 C ATOM 1225 CD PRO A 80 2.496 -11.687 1.905 1.00 0.00 C ATOM 0 HA PRO A 80 5.465 -10.388 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.366 -11.316 -0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.857 -12.435 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.105 -11.383 -0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.592 -13.017 0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.468 -11.364 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.653 -12.573 2.521 1.00 0.00 H new ATOM 1233 N LYS A 81 5.337 -8.587 -0.142 1.00 0.00 N ATOM 1234 CA LYS A 81 5.288 -7.327 -0.874 1.00 0.00 C ATOM 1235 C LYS A 81 4.295 -7.407 -2.029 1.00 0.00 C ATOM 1236 O LYS A 81 3.519 -6.480 -2.257 1.00 0.00 O ATOM 1237 CB LYS A 81 6.678 -6.969 -1.406 1.00 0.00 C ATOM 1238 CG LYS A 81 7.552 -6.253 -0.391 1.00 0.00 C ATOM 1239 CD LYS A 81 9.025 -6.548 -0.618 1.00 0.00 C ATOM 1240 CE LYS A 81 9.811 -6.498 0.684 1.00 0.00 C ATOM 1241 NZ LYS A 81 9.859 -7.827 1.353 1.00 0.00 N ATOM 0 H LYS A 81 6.258 -9.025 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 81 4.957 -6.549 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.181 -7.881 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.569 -6.338 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.381 -5.178 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.269 -6.561 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.134 -7.533 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.438 -5.825 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.826 -6.156 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.356 -5.770 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.403 -7.752 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.892 -8.143 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.316 -8.517 0.723 1.00 0.00 H new ATOM 1255 N GLU A 82 4.325 -8.522 -2.753 1.00 0.00 N ATOM 1256 CA GLU A 82 3.426 -8.721 -3.883 1.00 0.00 C ATOM 1257 C GLU A 82 1.995 -8.339 -3.515 1.00 0.00 C ATOM 1258 O GLU A 82 1.421 -7.415 -4.090 1.00 0.00 O ATOM 1259 CB GLU A 82 3.472 -10.178 -4.349 1.00 0.00 C ATOM 1260 CG GLU A 82 4.783 -10.563 -5.014 1.00 0.00 C ATOM 1261 CD GLU A 82 5.812 -11.072 -4.023 1.00 0.00 C ATOM 1262 OE1 GLU A 82 5.413 -11.483 -2.913 1.00 0.00 O ATOM 1263 OE2 GLU A 82 7.015 -11.059 -4.357 1.00 0.00 O ATOM 0 H GLU A 82 4.961 -9.300 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 82 3.758 -8.075 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.304 -10.830 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.654 -10.353 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.594 -11.332 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.187 -9.698 -5.540 1.00 0.00 H new ATOM 1270 N ALA A 83 1.426 -9.058 -2.553 1.00 0.00 N ATOM 1271 CA ALA A 83 0.063 -8.794 -2.107 1.00 0.00 C ATOM 1272 C ALA A 83 -0.060 -7.391 -1.522 1.00 0.00 C ATOM 1273 O ALA A 83 -1.026 -6.678 -1.794 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.368 -9.834 -1.083 1.00 0.00 C ATOM 0 H ALA A 83 1.887 -9.827 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.596 -8.858 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.387 -9.625 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.327 -10.826 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.301 -9.797 -0.223 1.00 0.00 H new ATOM 1280 N ALA A 84 0.923 -7.002 -0.716 1.00 0.00 N ATOM 1281 CA ALA A 84 0.924 -5.684 -0.094 1.00 0.00 C ATOM 1282 C ALA A 84 0.625 -4.593 -1.117 1.00 0.00 C ATOM 1283 O ALA A 84 -0.229 -3.736 -0.894 1.00 0.00 O ATOM 1284 CB ALA A 84 2.260 -5.422 0.585 1.00 0.00 C ATOM 0 H ALA A 84 1.728 -7.581 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 84 0.136 -5.665 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.247 -4.434 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.433 -6.177 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.059 -5.467 -0.155 1.00 0.00 H new ATOM 1290 N ARG A 85 1.336 -4.632 -2.240 1.00 0.00 N ATOM 1291 CA ARG A 85 1.148 -3.645 -3.297 1.00 0.00 C ATOM 1292 C ARG A 85 -0.288 -3.667 -3.812 1.00 0.00 C ATOM 1293 O ARG A 85 -0.874 -2.620 -4.088 1.00 0.00 O ATOM 1294 CB ARG A 85 2.118 -3.910 -4.450 1.00 0.00 C ATOM 1295 CG ARG A 85 3.509 -3.342 -4.218 1.00 0.00 C ATOM 1296 CD ARG A 85 4.177 -2.954 -5.527 1.00 0.00 C ATOM 1297 NE ARG A 85 5.633 -2.943 -5.417 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.375 -4.043 -5.372 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.801 -5.237 -5.429 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.695 -3.952 -5.271 1.00 0.00 N ATOM 0 H ARG A 85 2.047 -5.336 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 85 1.351 -2.659 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.196 -4.986 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.708 -3.482 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.443 -2.469 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.122 -4.079 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.878 -3.653 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.829 -1.967 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 85 6.106 -2.040 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.787 -5.312 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.374 -6.080 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.141 -3.036 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.263 -4.798 -5.237 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.848 -4.865 -3.938 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.215 -5.022 -4.421 1.00 0.00 C ATOM 1316 C GLN A 86 -3.211 -4.400 -3.448 1.00 0.00 C ATOM 1317 O GLN A 86 -4.159 -3.731 -3.858 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.540 -6.503 -4.623 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.679 -6.748 -5.599 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.848 -5.808 -5.380 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.577 -5.923 -4.394 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.033 -4.869 -6.301 1.00 0.00 N ATOM 0 H GLN A 86 -0.377 -5.741 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.297 -4.505 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.648 -7.016 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.796 -6.945 -3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.310 -6.632 -6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.022 -7.778 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.405 -4.810 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.803 -4.207 -6.207 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.989 -4.625 -2.157 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.868 -4.086 -1.125 1.00 0.00 C ATOM 1333 C ASN A 87 -3.865 -2.561 -1.149 1.00 0.00 C ATOM 1334 O ASN A 87 -4.920 -1.928 -1.171 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.436 -4.587 0.255 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.796 -6.043 0.481 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.921 -6.363 0.864 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.839 -6.932 0.243 1.00 0.00 N ATOM 0 H ASN A 87 -2.208 -5.177 -1.801 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.881 -4.432 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.359 -4.461 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.907 -3.975 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.022 -7.927 0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.921 -6.620 -0.073 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.671 -1.978 -1.146 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.530 -0.527 -1.165 1.00 0.00 C ATOM 1347 C TYR A 88 -3.339 0.084 -2.305 1.00 0.00 C ATOM 1348 O TYR A 88 -4.277 0.848 -2.077 1.00 0.00 O ATOM 1349 CB TYR A 88 -1.057 -0.139 -1.305 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.808 1.348 -1.187 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.244 2.226 -2.171 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.138 1.874 -0.089 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -1.018 3.585 -2.067 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.091 3.232 0.024 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.351 4.083 -0.968 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.125 5.436 -0.860 1.00 0.00 O ATOM 0 H TYR A 88 -1.788 -2.488 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.914 -0.138 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.479 -0.657 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.689 -0.485 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.769 1.840 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.209 1.210 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.362 4.254 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.613 3.625 0.884 1.00 0.00 H new ATOM 0 HH TYR A 88 0.356 5.622 -0.027 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.968 -0.258 -3.535 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.659 0.254 -4.712 1.00 0.00 C ATOM 1368 C VAL A 89 -5.157 -0.018 -4.632 1.00 0.00 C ATOM 1369 O VAL A 89 -5.973 0.888 -4.804 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.103 -0.372 -6.006 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.668 0.074 -6.241 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.196 -1.889 -5.946 1.00 0.00 C ATOM 0 H VAL A 89 -2.193 -0.888 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.489 1.330 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.707 -0.027 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.292 -0.378 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.635 1.160 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.047 -0.240 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.799 -2.315 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.617 -2.256 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.238 -2.185 -5.829 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.512 -1.271 -4.369 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.912 -1.663 -4.264 1.00 0.00 C ATOM 1384 C ASP A 90 -7.695 -0.662 -3.420 1.00 0.00 C ATOM 1385 O ASP A 90 -8.853 -0.360 -3.710 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.029 -3.062 -3.658 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.396 -3.320 -3.056 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -8.657 -2.822 -1.941 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -9.205 -4.021 -3.700 1.00 0.00 O ATOM 0 H ASP A 90 -4.849 -2.033 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.336 -1.675 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.828 -3.806 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.267 -3.186 -2.888 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.056 -0.151 -2.373 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.692 0.815 -1.485 1.00 0.00 C ATOM 1396 C LEU A 91 -7.826 2.174 -2.165 1.00 0.00 C ATOM 1397 O LEU A 91 -8.926 2.715 -2.284 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.886 0.957 -0.192 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.464 1.906 0.858 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.380 3.347 0.379 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.903 1.532 1.181 1.00 0.00 C ATOM 0 H LEU A 91 -6.098 -0.390 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.690 0.449 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.782 -0.030 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.883 1.298 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.873 1.813 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.796 4.008 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.338 3.611 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.946 3.457 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.298 2.218 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.507 1.596 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.936 0.514 1.568 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.700 2.720 -2.613 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.692 4.014 -3.285 1.00 0.00 C ATOM 1415 C VAL A 92 -7.792 4.093 -4.338 1.00 0.00 C ATOM 1416 O VAL A 92 -8.392 5.148 -4.545 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.334 4.289 -3.956 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.359 5.624 -4.686 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.215 4.257 -2.926 1.00 0.00 C ATOM 0 H VAL A 92 -5.781 2.286 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.870 4.769 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.145 3.505 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.391 5.801 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.134 5.605 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.570 6.423 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.262 4.453 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.396 5.019 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.184 3.275 -2.453 1.00 0.00 H new ATOM 1429 N SER A 93 -8.052 2.970 -5.000 1.00 0.00 N ATOM 1430 CA SER A 93 -9.079 2.913 -6.034 1.00 0.00 C ATOM 1431 C SER A 93 -10.469 3.081 -5.429 1.00 0.00 C ATOM 1432 O SER A 93 -11.377 3.611 -6.070 1.00 0.00 O ATOM 1433 CB SER A 93 -8.996 1.586 -6.791 1.00 0.00 C ATOM 1434 OG SER A 93 -9.580 1.696 -8.077 1.00 0.00 O ATOM 0 H SER A 93 -7.566 2.088 -4.839 1.00 0.00 H new ATOM 0 HA SER A 93 -8.904 3.733 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.953 1.283 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.504 0.807 -6.223 1.00 0.00 H new ATOM 0 HG SER A 93 -9.513 0.836 -8.541 1.00 0.00 H new ATOM 1440 N SER A 94 -10.628 2.625 -4.191 1.00 0.00 N ATOM 1441 CA SER A 94 -11.908 2.721 -3.499 1.00 0.00 C ATOM 1442 C SER A 94 -12.308 4.179 -3.295 1.00 0.00 C ATOM 1443 O SER A 94 -13.478 4.539 -3.429 1.00 0.00 O ATOM 1444 CB SER A 94 -11.838 2.005 -2.149 1.00 0.00 C ATOM 1445 OG SER A 94 -11.705 0.605 -2.320 1.00 0.00 O ATOM 0 H SER A 94 -9.886 2.185 -3.646 1.00 0.00 H new ATOM 0 HA SER A 94 -12.664 2.239 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.993 2.386 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.738 2.220 -1.573 1.00 0.00 H new ATOM 0 HG SER A 94 -10.840 0.407 -2.736 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.327 5.014 -2.969 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.575 6.434 -2.746 1.00 0.00 C ATOM 1453 C LEU A 95 -11.652 7.189 -4.069 1.00 0.00 C ATOM 1454 O LEU A 95 -12.668 7.808 -4.383 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.473 7.032 -1.869 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.358 6.463 -0.454 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.989 6.768 0.134 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.460 7.020 0.436 1.00 0.00 C ATOM 0 H LEU A 95 -10.353 4.732 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.533 6.534 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.518 6.891 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.639 8.107 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.474 5.381 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.925 6.356 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.217 6.320 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.842 7.847 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.363 6.604 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.376 8.106 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.432 6.749 0.024 1.00 0.00 H new ATOM 1470 N SER A 96 -10.573 7.129 -4.842 1.00 0.00 N ATOM 1471 CA SER A 96 -10.518 7.808 -6.132 1.00 0.00 C ATOM 1472 C SER A 96 -11.856 7.707 -6.856 1.00 0.00 C ATOM 1473 O SER A 96 -12.370 6.618 -7.117 1.00 0.00 O ATOM 1474 CB SER A 96 -9.409 7.210 -7.000 1.00 0.00 C ATOM 1475 OG SER A 96 -9.596 5.817 -7.179 1.00 0.00 O ATOM 0 H SER A 96 -9.725 6.617 -4.598 1.00 0.00 H new ATOM 0 HA SER A 96 -10.301 8.861 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.395 7.706 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.440 7.393 -6.535 1.00 0.00 H new ATOM 0 HG SER A 96 -10.553 5.609 -7.153 1.00 0.00 H new ATOM 1481 N PRO A 97 -12.436 8.869 -7.191 1.00 0.00 N ATOM 1482 CA PRO A 97 -13.723 8.939 -7.890 1.00 0.00 C ATOM 1483 C PRO A 97 -13.624 8.460 -9.335 1.00 0.00 C ATOM 1484 O PRO A 97 -14.408 7.620 -9.775 1.00 0.00 O ATOM 1485 CB PRO A 97 -14.071 10.429 -7.844 1.00 0.00 C ATOM 1486 CG PRO A 97 -12.758 11.121 -7.719 1.00 0.00 C ATOM 1487 CD PRO A 97 -11.881 10.204 -6.912 1.00 0.00 C ATOM 0 HA PRO A 97 -14.473 8.297 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.598 10.740 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.721 10.658 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.323 11.313 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.871 12.086 -7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.837 10.277 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.921 10.442 -5.849 1.00 0.00 H new ATOM 1495 N SER A 98 -12.655 9.000 -10.068 1.00 0.00 N ATOM 1496 CA SER A 98 -12.456 8.630 -11.464 1.00 0.00 C ATOM 1497 C SER A 98 -11.140 9.192 -11.993 1.00 0.00 C ATOM 1498 O SER A 98 -10.954 10.408 -12.064 1.00 0.00 O ATOM 1499 CB SER A 98 -13.620 9.137 -12.318 1.00 0.00 C ATOM 1500 OG SER A 98 -14.773 8.333 -12.138 1.00 0.00 O ATOM 0 H SER A 98 -11.996 9.695 -9.718 1.00 0.00 H new ATOM 0 HA SER A 98 -12.416 7.542 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.848 10.169 -12.052 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.332 9.135 -13.369 1.00 0.00 H new ATOM 0 HG SER A 98 -14.593 7.650 -11.459 1.00 0.00 H new ATOM 1506 N LEU A 99 -10.229 8.299 -12.362 1.00 0.00 N ATOM 1507 CA LEU A 99 -8.929 8.704 -12.885 1.00 0.00 C ATOM 1508 C LEU A 99 -8.592 7.938 -14.160 1.00 0.00 C ATOM 1509 O LEU A 99 -9.344 7.062 -14.585 1.00 0.00 O ATOM 1510 CB LEU A 99 -7.840 8.472 -11.835 1.00 0.00 C ATOM 1511 CG LEU A 99 -7.602 9.619 -10.851 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -6.853 9.122 -9.624 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -6.836 10.748 -11.525 1.00 0.00 C ATOM 0 H LEU A 99 -10.366 7.290 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.976 9.767 -13.123 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.096 7.579 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.903 8.263 -12.352 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.570 10.004 -10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.692 9.951 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.439 8.347 -9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.890 8.711 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.675 11.556 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.873 10.376 -11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.410 11.122 -12.373 1.00 0.00 H new ATOM 1525 N GLU A 100 -7.456 8.273 -14.763 1.00 0.00 N ATOM 1526 CA GLU A 100 -7.019 7.615 -15.989 1.00 0.00 C ATOM 1527 C GLU A 100 -5.867 6.655 -15.711 1.00 0.00 C ATOM 1528 O GLU A 100 -5.307 6.641 -14.614 1.00 0.00 O ATOM 1529 CB GLU A 100 -6.593 8.654 -17.028 1.00 0.00 C ATOM 1530 CG GLU A 100 -7.735 9.147 -17.901 1.00 0.00 C ATOM 1531 CD GLU A 100 -8.119 8.150 -18.977 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -7.480 8.159 -20.050 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -9.058 7.361 -18.745 1.00 0.00 O ATOM 0 H GLU A 100 -6.822 8.996 -14.423 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.859 7.042 -16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.145 9.505 -16.515 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.820 8.223 -17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.603 9.353 -17.275 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.449 10.089 -18.369 1.00 0.00 H new ATOM 1540 N SER A 101 -5.517 5.853 -16.712 1.00 0.00 N ATOM 1541 CA SER A 101 -4.434 4.886 -16.574 1.00 0.00 C ATOM 1542 C SER A 101 -3.791 4.595 -17.927 1.00 0.00 C ATOM 1543 O SER A 101 -4.363 4.893 -18.975 1.00 0.00 O ATOM 1544 CB SER A 101 -4.956 3.588 -15.955 1.00 0.00 C ATOM 1545 OG SER A 101 -5.986 3.023 -16.748 1.00 0.00 O ATOM 0 H SER A 101 -5.968 5.854 -17.627 1.00 0.00 H new ATOM 0 HA SER A 101 -3.678 5.315 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.138 2.875 -15.854 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.332 3.786 -14.951 1.00 0.00 H new ATOM 0 HG SER A 101 -6.301 2.194 -16.332 1.00 0.00 H new ATOM 1551 N SER A 102 -2.597 4.011 -17.894 1.00 0.00 N ATOM 1552 CA SER A 102 -1.873 3.682 -19.116 1.00 0.00 C ATOM 1553 C SER A 102 -2.461 2.440 -19.778 1.00 0.00 C ATOM 1554 O SER A 102 -2.597 1.392 -19.148 1.00 0.00 O ATOM 1555 CB SER A 102 -0.391 3.458 -18.811 1.00 0.00 C ATOM 1556 OG SER A 102 0.332 3.154 -19.991 1.00 0.00 O ATOM 0 H SER A 102 -2.111 3.756 -17.034 1.00 0.00 H new ATOM 0 HA SER A 102 -1.972 4.521 -19.805 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.026 4.350 -18.345 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.283 2.644 -18.095 1.00 0.00 H new ATOM 0 HG SER A 102 0.272 2.193 -20.173 1.00 0.00 H new ATOM 1562 N SER A 103 -2.809 2.567 -21.055 1.00 0.00 N ATOM 1563 CA SER A 103 -3.386 1.456 -21.804 1.00 0.00 C ATOM 1564 C SER A 103 -2.299 0.657 -22.515 1.00 0.00 C ATOM 1565 O SER A 103 -2.304 -0.574 -22.493 1.00 0.00 O ATOM 1566 CB SER A 103 -4.403 1.974 -22.823 1.00 0.00 C ATOM 1567 OG SER A 103 -3.797 2.873 -23.736 1.00 0.00 O ATOM 0 H SER A 103 -2.702 3.427 -21.592 1.00 0.00 H new ATOM 0 HA SER A 103 -3.892 0.798 -21.098 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.837 1.135 -23.367 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.221 2.474 -22.304 1.00 0.00 H new ATOM 0 HG SER A 103 -4.467 3.189 -24.378 1.00 0.00 H new ATOM 1573 N GLN A 104 -1.367 1.366 -23.144 1.00 0.00 N ATOM 1574 CA GLN A 104 -0.273 0.723 -23.862 1.00 0.00 C ATOM 1575 C GLN A 104 0.842 0.316 -22.905 1.00 0.00 C ATOM 1576 O GLN A 104 1.181 1.055 -21.981 1.00 0.00 O ATOM 1577 CB GLN A 104 0.279 1.659 -24.938 1.00 0.00 C ATOM 1578 CG GLN A 104 0.992 2.878 -24.376 1.00 0.00 C ATOM 1579 CD GLN A 104 2.459 2.618 -24.096 1.00 0.00 C ATOM 1580 OE1 GLN A 104 2.903 2.672 -22.948 1.00 0.00 O ATOM 1581 NE2 GLN A 104 3.221 2.333 -25.145 1.00 0.00 N ATOM 0 H GLN A 104 -1.348 2.385 -23.171 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.664 -0.176 -24.338 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.971 1.103 -25.571 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.541 1.990 -25.576 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.901 3.704 -25.081 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.500 3.190 -23.455 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.812 2.299 -26.079 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.216 2.148 -25.017 1.00 0.00 H new ATOM 1590 N VAL A 105 1.408 -0.865 -23.132 1.00 0.00 N ATOM 1591 CA VAL A 105 2.486 -1.371 -22.290 1.00 0.00 C ATOM 1592 C VAL A 105 3.741 -1.646 -23.110 1.00 0.00 C ATOM 1593 O VAL A 105 3.697 -2.369 -24.105 1.00 0.00 O ATOM 1594 CB VAL A 105 2.069 -2.661 -21.560 1.00 0.00 C ATOM 1595 CG1 VAL A 105 3.167 -3.115 -20.609 1.00 0.00 C ATOM 1596 CG2 VAL A 105 0.760 -2.453 -20.814 1.00 0.00 C ATOM 0 H VAL A 105 1.138 -1.489 -23.892 1.00 0.00 H new ATOM 0 HA VAL A 105 2.701 -0.598 -21.552 1.00 0.00 H new ATOM 0 HB VAL A 105 1.917 -3.444 -22.303 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.855 -4.028 -20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.080 -3.307 -21.173 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.354 -2.336 -19.870 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.481 -3.375 -20.304 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.882 -1.656 -20.081 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.022 -2.179 -21.522 1.00 0.00 H new ATOM 1606 N GLU A 106 4.858 -1.065 -22.685 1.00 0.00 N ATOM 1607 CA GLU A 106 6.127 -1.248 -23.381 1.00 0.00 C ATOM 1608 C GLU A 106 6.782 -2.567 -22.980 1.00 0.00 C ATOM 1609 O GLU A 106 6.794 -2.953 -21.811 1.00 0.00 O ATOM 1610 CB GLU A 106 7.072 -0.084 -23.080 1.00 0.00 C ATOM 1611 CG GLU A 106 8.265 -0.010 -24.018 1.00 0.00 C ATOM 1612 CD GLU A 106 9.275 1.040 -23.597 1.00 0.00 C ATOM 1613 OE1 GLU A 106 8.850 2.135 -23.173 1.00 0.00 O ATOM 1614 OE2 GLU A 106 10.489 0.766 -23.691 1.00 0.00 O ATOM 0 H GLU A 106 4.911 -0.464 -21.863 1.00 0.00 H new ATOM 0 HA GLU A 106 5.924 -1.274 -24.452 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.514 0.851 -23.141 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.432 -0.175 -22.055 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.753 -0.984 -24.056 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.916 0.211 -25.027 1.00 0.00 H new ATOM 1621 N PRO A 107 7.341 -3.275 -23.972 1.00 0.00 N ATOM 1622 CA PRO A 107 8.009 -4.561 -23.748 1.00 0.00 C ATOM 1623 C PRO A 107 9.321 -4.408 -22.986 1.00 0.00 C ATOM 1624 O PRO A 107 10.037 -5.382 -22.761 1.00 0.00 O ATOM 1625 CB PRO A 107 8.270 -5.077 -25.165 1.00 0.00 C ATOM 1626 CG PRO A 107 8.326 -3.851 -26.010 1.00 0.00 C ATOM 1627 CD PRO A 107 7.364 -2.876 -25.389 1.00 0.00 C ATOM 0 HA PRO A 107 7.404 -5.234 -23.140 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.204 -5.637 -25.217 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.477 -5.749 -25.494 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.335 -3.441 -26.036 1.00 0.00 H new ATOM 0 HG3 PRO A 107 8.046 -4.074 -27.040 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.700 -1.846 -25.511 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.375 -2.944 -25.842 1.00 0.00 H new ATOM 1635 N GLY A 108 9.630 -3.176 -22.591 1.00 0.00 N ATOM 1636 CA GLY A 108 10.856 -2.918 -21.859 1.00 0.00 C ATOM 1637 C GLY A 108 11.234 -4.063 -20.939 1.00 0.00 C ATOM 1638 O GLY A 108 10.452 -4.457 -20.073 1.00 0.00 O ATOM 0 H GLY A 108 9.053 -2.353 -22.765 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.667 -2.741 -22.565 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.740 -2.007 -21.272 1.00 0.00 H new ATOM 1642 N THR A 109 12.436 -4.599 -21.127 1.00 0.00 N ATOM 1643 CA THR A 109 12.914 -5.707 -20.309 1.00 0.00 C ATOM 1644 C THR A 109 13.390 -5.218 -18.946 1.00 0.00 C ATOM 1645 O THR A 109 13.725 -4.046 -18.778 1.00 0.00 O ATOM 1646 CB THR A 109 14.065 -6.460 -21.002 1.00 0.00 C ATOM 1647 OG1 THR A 109 14.321 -7.695 -20.324 1.00 0.00 O ATOM 1648 CG2 THR A 109 15.330 -5.615 -21.022 1.00 0.00 C ATOM 0 H THR A 109 13.096 -4.284 -21.838 1.00 0.00 H new ATOM 0 HA THR A 109 12.073 -6.387 -20.175 1.00 0.00 H new ATOM 0 HB THR A 109 13.768 -6.665 -22.030 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.053 -8.168 -20.772 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.129 -6.168 -21.516 1.00 0.00 H new ATOM 0 HG22 THR A 109 15.140 -4.689 -21.564 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.628 -5.382 -20.000 1.00 0.00 H new ATOM 1656 N ASP A 110 13.416 -6.124 -17.975 1.00 0.00 N ATOM 1657 CA ASP A 110 13.853 -5.786 -16.625 1.00 0.00 C ATOM 1658 C ASP A 110 14.398 -7.016 -15.906 1.00 0.00 C ATOM 1659 O ASP A 110 13.849 -8.111 -16.026 1.00 0.00 O ATOM 1660 CB ASP A 110 12.695 -5.184 -15.827 1.00 0.00 C ATOM 1661 CG ASP A 110 11.472 -6.080 -15.817 1.00 0.00 C ATOM 1662 OD1 ASP A 110 11.487 -7.097 -15.092 1.00 0.00 O ATOM 1663 OD2 ASP A 110 10.499 -5.764 -16.534 1.00 0.00 O ATOM 0 H ASP A 110 13.140 -7.098 -18.097 1.00 0.00 H new ATOM 0 HA ASP A 110 14.652 -5.049 -16.702 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.019 -5.004 -14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.429 -4.216 -16.252 1.00 0.00 H new ATOM 1668 N SER A 111 15.481 -6.827 -15.159 1.00 0.00 N ATOM 1669 CA SER A 111 16.103 -7.922 -14.424 1.00 0.00 C ATOM 1670 C SER A 111 15.896 -7.754 -12.921 1.00 0.00 C ATOM 1671 O SER A 111 15.499 -6.689 -12.453 1.00 0.00 O ATOM 1672 CB SER A 111 17.599 -7.991 -14.739 1.00 0.00 C ATOM 1673 OG SER A 111 18.101 -9.301 -14.543 1.00 0.00 O ATOM 0 H SER A 111 15.946 -5.926 -15.047 1.00 0.00 H new ATOM 0 HA SER A 111 15.629 -8.852 -14.737 1.00 0.00 H new ATOM 0 HB2 SER A 111 17.771 -7.683 -15.770 1.00 0.00 H new ATOM 0 HB3 SER A 111 18.141 -7.291 -14.102 1.00 0.00 H new ATOM 0 HG SER A 111 19.058 -9.319 -14.752 1.00 0.00 H new ATOM 1679 N GLY A 112 16.169 -8.817 -12.171 1.00 0.00 N ATOM 1680 CA GLY A 112 16.007 -8.769 -10.729 1.00 0.00 C ATOM 1681 C GLY A 112 17.334 -8.738 -9.997 1.00 0.00 C ATOM 1682 O GLY A 112 18.245 -9.514 -10.286 1.00 0.00 O ATOM 0 H GLY A 112 16.499 -9.710 -12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 112 15.427 -7.886 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 112 15.435 -9.637 -10.402 1.00 0.00 H new ATOM 1686 N PRO A 113 17.457 -7.821 -9.026 1.00 0.00 N ATOM 1687 CA PRO A 113 18.679 -7.669 -8.231 1.00 0.00 C ATOM 1688 C PRO A 113 18.906 -8.844 -7.286 1.00 0.00 C ATOM 1689 O PRO A 113 17.966 -9.353 -6.676 1.00 0.00 O ATOM 1690 CB PRO A 113 18.428 -6.384 -7.437 1.00 0.00 C ATOM 1691 CG PRO A 113 16.945 -6.276 -7.350 1.00 0.00 C ATOM 1692 CD PRO A 113 16.411 -6.863 -8.628 1.00 0.00 C ATOM 0 HA PRO A 113 19.571 -7.632 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 113 18.880 -6.436 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 113 18.859 -5.518 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 113 16.565 -6.817 -6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 113 16.635 -5.237 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 113 15.452 -7.357 -8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 113 16.257 -6.097 -9.388 1.00 0.00 H new ATOM 1700 N SER A 114 20.160 -9.269 -7.169 1.00 0.00 N ATOM 1701 CA SER A 114 20.510 -10.387 -6.300 1.00 0.00 C ATOM 1702 C SER A 114 21.220 -9.895 -5.043 1.00 0.00 C ATOM 1703 O SER A 114 20.791 -10.177 -3.924 1.00 0.00 O ATOM 1704 CB SER A 114 21.401 -11.381 -7.047 1.00 0.00 C ATOM 1705 OG SER A 114 21.252 -12.691 -6.526 1.00 0.00 O ATOM 0 H SER A 114 20.950 -8.856 -7.665 1.00 0.00 H new ATOM 0 HA SER A 114 19.588 -10.888 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 114 21.147 -11.377 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 114 22.443 -11.071 -6.968 1.00 0.00 H new ATOM 0 HG SER A 114 21.830 -13.308 -7.021 1.00 0.00 H new ATOM 1711 N SER A 115 22.309 -9.159 -5.235 1.00 0.00 N ATOM 1712 CA SER A 115 23.083 -8.631 -4.117 1.00 0.00 C ATOM 1713 C SER A 115 22.887 -7.123 -3.986 1.00 0.00 C ATOM 1714 O SER A 115 23.361 -6.349 -4.817 1.00 0.00 O ATOM 1715 CB SER A 115 24.568 -8.949 -4.301 1.00 0.00 C ATOM 1716 OG SER A 115 25.052 -8.433 -5.528 1.00 0.00 O ATOM 0 H SER A 115 22.676 -8.914 -6.155 1.00 0.00 H new ATOM 0 HA SER A 115 22.728 -9.108 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 115 25.139 -8.526 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 115 24.718 -10.028 -4.272 1.00 0.00 H new ATOM 0 HG SER A 115 24.541 -7.633 -5.771 1.00 0.00 H new ATOM 1722 N GLY A 116 22.185 -6.713 -2.934 1.00 0.00 N ATOM 1723 CA GLY A 116 21.938 -5.301 -2.711 1.00 0.00 C ATOM 1724 C GLY A 116 20.515 -4.901 -3.048 1.00 0.00 C ATOM 1725 O GLY A 116 20.241 -3.733 -3.325 1.00 0.00 O ATOM 0 H GLY A 116 21.783 -7.334 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 116 22.143 -5.060 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 116 22.630 -4.714 -3.315 1.00 0.00 H new TER 1729 GLY A 116