USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 750 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 29 TYR OH : rot 40:sc= 0.284 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -3.98! C(o=-3.7!,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.99! C(o=-4!,f=-5.3!) USER MOD Single : A 3 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.031) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.107 (180deg=-0.464) USER MOD Single : A 20 SER OG : rot -89:sc= 0.451 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -2.17! F(o=-2.7,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -54:sc= 0.506 USER MOD Single : A 32 GLN : amide:sc= -3.55! C(o=-3.5!,f=-5.1!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 120:sc= -2.12 USER MOD Single : A 42 MET CE :methyl -123:sc= -0.0612 (180deg=-1.27) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 80:sc= 0.0676 USER MOD Single : A 48 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : A 50 SER OG : rot 169:sc= 0.262 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0801 X(o=-0.08,f=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -2.7 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 140:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 79 ASN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 100:sc= -2.11 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 90 MET CE :methyl 156:sc= -0.107 (180deg=-0.551) USER MOD Single : A 91 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -5.770 -8.383 -21.231 1.00 0.00 N ATOM 2 CA GLY A -6 -5.372 -7.053 -21.654 1.00 0.00 C ATOM 3 C GLY A -6 -4.263 -6.478 -20.795 1.00 0.00 C ATOM 4 O GLY A -6 -4.380 -6.429 -19.571 1.00 0.00 O ATOM 0 H1 GLY A -6 -6.530 -8.731 -21.850 1.00 0.00 H new ATOM 0 H2 GLY A -6 -4.954 -9.025 -21.290 1.00 0.00 H new ATOM 0 H3 GLY A -6 -6.112 -8.347 -20.249 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -5.041 -7.089 -22.692 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -6.236 -6.390 -21.618 1.00 0.00 H new ATOM 8 N SER A -5 -3.184 -6.044 -21.438 1.00 0.00 N ATOM 9 CA SER A -5 -2.047 -5.475 -20.724 1.00 0.00 C ATOM 10 C SER A -5 -1.964 -3.969 -20.947 1.00 0.00 C ATOM 11 O SER A -5 -0.882 -3.419 -21.155 1.00 0.00 O ATOM 12 CB SER A -5 -0.747 -6.142 -21.178 1.00 0.00 C ATOM 13 OG SER A -5 -0.506 -7.336 -20.453 1.00 0.00 O ATOM 0 H SER A -5 -3.073 -6.075 -22.451 1.00 0.00 H new ATOM 0 HA SER A -5 -2.189 -5.660 -19.659 1.00 0.00 H new ATOM 0 HB2 SER A -5 -0.802 -6.365 -22.244 1.00 0.00 H new ATOM 0 HB3 SER A -5 0.087 -5.454 -21.039 1.00 0.00 H new ATOM 0 HG SER A -5 0.329 -7.744 -20.763 1.00 0.00 H new ATOM 19 N SER A -4 -3.115 -3.306 -20.903 1.00 0.00 N ATOM 20 CA SER A -4 -3.174 -1.863 -21.105 1.00 0.00 C ATOM 21 C SER A -4 -3.738 -1.165 -19.871 1.00 0.00 C ATOM 22 O SER A -4 -3.203 -0.154 -19.418 1.00 0.00 O ATOM 23 CB SER A -4 -4.032 -1.532 -22.328 1.00 0.00 C ATOM 24 OG SER A -4 -3.308 -1.736 -23.529 1.00 0.00 O ATOM 0 H SER A -4 -4.019 -3.745 -20.729 1.00 0.00 H new ATOM 0 HA SER A -4 -2.159 -1.503 -21.274 1.00 0.00 H new ATOM 0 HB2 SER A -4 -4.926 -2.155 -22.328 1.00 0.00 H new ATOM 0 HB3 SER A -4 -4.366 -0.496 -22.272 1.00 0.00 H new ATOM 0 HG SER A -4 -3.879 -1.519 -24.296 1.00 0.00 H new ATOM 30 N GLY A -3 -4.822 -1.713 -19.331 1.00 0.00 N ATOM 31 CA GLY A -3 -5.441 -1.131 -18.155 1.00 0.00 C ATOM 32 C GLY A -3 -5.790 0.332 -18.347 1.00 0.00 C ATOM 33 O GLY A -3 -6.781 0.660 -18.999 1.00 0.00 O ATOM 0 H GLY A -3 -5.283 -2.550 -19.687 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -6.346 -1.688 -17.911 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -4.766 -1.232 -17.305 1.00 0.00 H new ATOM 37 N SER A -2 -4.974 1.213 -17.777 1.00 0.00 N ATOM 38 CA SER A -2 -5.205 2.649 -17.885 1.00 0.00 C ATOM 39 C SER A -2 -5.424 3.057 -19.338 1.00 0.00 C ATOM 40 O SER A -2 -4.736 2.578 -20.239 1.00 0.00 O ATOM 41 CB SER A -2 -4.021 3.422 -17.299 1.00 0.00 C ATOM 42 OG SER A -2 -3.751 3.011 -15.970 1.00 0.00 O ATOM 0 H SER A -2 -4.148 0.958 -17.236 1.00 0.00 H new ATOM 0 HA SER A -2 -6.105 2.891 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.138 3.265 -17.918 1.00 0.00 H new ATOM 0 HB3 SER A -2 -4.236 4.490 -17.316 1.00 0.00 H new ATOM 0 HG SER A -2 -2.990 3.518 -15.619 1.00 0.00 H new ATOM 48 N SER A -1 -6.388 3.945 -19.558 1.00 0.00 N ATOM 49 CA SER A -1 -6.702 4.415 -20.902 1.00 0.00 C ATOM 50 C SER A -1 -5.648 5.404 -21.391 1.00 0.00 C ATOM 51 O SER A -1 -4.990 6.072 -20.595 1.00 0.00 O ATOM 52 CB SER A -1 -8.084 5.072 -20.925 1.00 0.00 C ATOM 53 OG SER A -1 -9.110 4.098 -21.006 1.00 0.00 O ATOM 0 H SER A -1 -6.965 4.353 -18.823 1.00 0.00 H new ATOM 0 HA SER A -1 -6.706 3.554 -21.570 1.00 0.00 H new ATOM 0 HB2 SER A -1 -8.219 5.673 -20.026 1.00 0.00 H new ATOM 0 HB3 SER A -1 -8.154 5.750 -21.776 1.00 0.00 H new ATOM 0 HG SER A -1 -9.983 4.543 -21.017 1.00 0.00 H new ATOM 59 N GLY A 0 -5.494 5.491 -22.709 1.00 0.00 N ATOM 60 CA GLY A 0 -4.520 6.400 -23.284 1.00 0.00 C ATOM 61 C GLY A 0 -5.061 7.807 -23.442 1.00 0.00 C ATOM 62 O GLY A 0 -4.376 8.781 -23.132 1.00 0.00 O ATOM 0 H GLY A 0 -6.027 4.948 -23.389 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -3.633 6.424 -22.651 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -4.207 6.023 -24.258 1.00 0.00 H new ATOM 66 N MET A 1 -6.294 7.914 -23.927 1.00 0.00 N ATOM 67 CA MET A 1 -6.926 9.212 -24.126 1.00 0.00 C ATOM 68 C MET A 1 -7.364 9.814 -22.795 1.00 0.00 C ATOM 69 O MET A 1 -8.525 9.703 -22.405 1.00 0.00 O ATOM 70 CB MET A 1 -8.131 9.079 -25.059 1.00 0.00 C ATOM 71 CG MET A 1 -7.751 8.873 -26.517 1.00 0.00 C ATOM 72 SD MET A 1 -7.228 7.183 -26.866 1.00 0.00 S ATOM 73 CE MET A 1 -6.529 7.377 -28.504 1.00 0.00 C ATOM 0 H MET A 1 -6.875 7.117 -24.189 1.00 0.00 H new ATOM 0 HA MET A 1 -6.193 9.878 -24.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.744 8.240 -24.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.746 9.975 -24.975 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.603 9.124 -27.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.946 9.560 -26.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.161 6.414 -28.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.296 7.746 -29.185 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.705 8.089 -28.466 1.00 0.00 H new ATOM 83 N ASN A 2 -6.425 10.451 -22.101 1.00 0.00 N ATOM 84 CA ASN A 2 -6.715 11.069 -20.812 1.00 0.00 C ATOM 85 C ASN A 2 -5.642 12.090 -20.445 1.00 0.00 C ATOM 86 O ASN A 2 -4.469 11.916 -20.772 1.00 0.00 O ATOM 87 CB ASN A 2 -6.813 10.001 -19.721 1.00 0.00 C ATOM 88 CG ASN A 2 -8.038 9.122 -19.881 1.00 0.00 C ATOM 89 OD1 ASN A 2 -7.927 7.906 -20.036 1.00 0.00 O ATOM 90 ND2 ASN A 2 -9.215 9.735 -19.843 1.00 0.00 N ATOM 0 H ASN A 2 -5.458 10.552 -22.410 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.671 11.586 -20.892 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.918 9.380 -19.743 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.841 10.485 -18.745 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.075 9.195 -19.944 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.260 10.746 -19.712 1.00 0.00 H new ATOM 97 N ASN A 3 -6.054 13.154 -19.764 1.00 0.00 N ATOM 98 CA ASN A 3 -5.128 14.203 -19.353 1.00 0.00 C ATOM 99 C ASN A 3 -4.152 13.685 -18.301 1.00 0.00 C ATOM 100 O ASN A 3 -4.434 12.711 -17.603 1.00 0.00 O ATOM 101 CB ASN A 3 -5.899 15.404 -18.801 1.00 0.00 C ATOM 102 CG ASN A 3 -5.083 16.682 -18.841 1.00 0.00 C ATOM 103 OD1 ASN A 3 -4.679 17.141 -19.910 1.00 0.00 O ATOM 104 ND2 ASN A 3 -4.836 17.263 -17.673 1.00 0.00 N ATOM 0 H ASN A 3 -7.022 13.313 -19.485 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.559 14.515 -20.229 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.814 15.542 -19.378 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.198 15.199 -17.773 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.292 18.125 -17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.191 16.847 -16.812 1.00 0.00 H new ATOM 111 N SER A 4 -3.002 14.344 -18.193 1.00 0.00 N ATOM 112 CA SER A 4 -1.982 13.948 -17.229 1.00 0.00 C ATOM 113 C SER A 4 -2.611 13.611 -15.881 1.00 0.00 C ATOM 114 O SER A 4 -2.645 12.451 -15.473 1.00 0.00 O ATOM 115 CB SER A 4 -0.951 15.066 -17.059 1.00 0.00 C ATOM 116 OG SER A 4 0.286 14.552 -16.595 1.00 0.00 O ATOM 0 H SER A 4 -2.754 15.154 -18.761 1.00 0.00 H new ATOM 0 HA SER A 4 -1.482 13.057 -17.610 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.803 15.576 -18.011 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.327 15.808 -16.355 1.00 0.00 H new ATOM 0 HG SER A 4 0.928 15.285 -16.496 1.00 0.00 H new ATOM 122 N GLY A 5 -3.107 14.635 -15.193 1.00 0.00 N ATOM 123 CA GLY A 5 -3.728 14.427 -13.898 1.00 0.00 C ATOM 124 C GLY A 5 -2.853 14.899 -12.753 1.00 0.00 C ATOM 125 O GLY A 5 -2.025 14.145 -12.244 1.00 0.00 O ATOM 0 H GLY A 5 -3.090 15.605 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.680 14.957 -13.866 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.948 13.367 -13.770 1.00 0.00 H new ATOM 129 N ALA A 6 -3.035 16.152 -12.349 1.00 0.00 N ATOM 130 CA ALA A 6 -2.256 16.724 -11.258 1.00 0.00 C ATOM 131 C ALA A 6 -2.899 16.422 -9.908 1.00 0.00 C ATOM 132 O ALA A 6 -2.866 17.248 -8.996 1.00 0.00 O ATOM 133 CB ALA A 6 -2.104 18.226 -11.448 1.00 0.00 C ATOM 0 H ALA A 6 -3.715 16.790 -12.761 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.267 16.266 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.520 18.640 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.594 18.424 -12.391 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.089 18.692 -11.464 1.00 0.00 H new ATOM 139 N ASP A 7 -3.482 15.234 -9.789 1.00 0.00 N ATOM 140 CA ASP A 7 -4.132 14.823 -8.550 1.00 0.00 C ATOM 141 C ASP A 7 -3.586 13.483 -8.068 1.00 0.00 C ATOM 142 O ASP A 7 -3.570 13.203 -6.870 1.00 0.00 O ATOM 143 CB ASP A 7 -5.645 14.729 -8.749 1.00 0.00 C ATOM 144 CG ASP A 7 -6.393 14.563 -7.441 1.00 0.00 C ATOM 145 OD1 ASP A 7 -5.926 15.107 -6.418 1.00 0.00 O ATOM 146 OD2 ASP A 7 -7.444 13.888 -7.439 1.00 0.00 O ATOM 0 H ASP A 7 -3.518 14.539 -10.535 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.919 15.576 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.998 15.628 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.871 13.886 -9.402 1.00 0.00 H new ATOM 151 N GLU A 8 -3.140 12.658 -9.011 1.00 0.00 N ATOM 152 CA GLU A 8 -2.595 11.346 -8.682 1.00 0.00 C ATOM 153 C GLU A 8 -1.093 11.430 -8.426 1.00 0.00 C ATOM 154 O GLU A 8 -0.497 10.512 -7.860 1.00 0.00 O ATOM 155 CB GLU A 8 -2.876 10.354 -9.812 1.00 0.00 C ATOM 156 CG GLU A 8 -4.254 10.514 -10.433 1.00 0.00 C ATOM 157 CD GLU A 8 -4.321 11.670 -11.413 1.00 0.00 C ATOM 158 OE1 GLU A 8 -3.374 11.826 -12.212 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.321 12.418 -11.381 1.00 0.00 O ATOM 0 H GLU A 8 -3.145 12.875 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.083 10.996 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.120 10.476 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.776 9.339 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.527 9.592 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.989 10.669 -9.643 1.00 0.00 H new ATOM 166 N ILE A 9 -0.488 12.535 -8.846 1.00 0.00 N ATOM 167 CA ILE A 9 0.944 12.739 -8.662 1.00 0.00 C ATOM 168 C ILE A 9 1.427 12.104 -7.363 1.00 0.00 C ATOM 169 O ILE A 9 2.293 11.231 -7.371 1.00 0.00 O ATOM 170 CB ILE A 9 1.303 14.237 -8.653 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.877 14.894 -9.967 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.795 14.422 -8.421 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.091 16.391 -9.992 1.00 0.00 C ATOM 0 H ILE A 9 -0.967 13.303 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 9 1.442 12.260 -9.505 1.00 0.00 H new ATOM 0 HB ILE A 9 0.765 14.720 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.435 14.442 -10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.178 14.683 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.034 15.486 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.071 13.985 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.351 13.928 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.767 16.789 -10.954 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.512 16.855 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.149 16.610 -9.847 1.00 0.00 H new ATOM 185 N GLY A 10 0.859 12.549 -6.246 1.00 0.00 N ATOM 186 CA GLY A 10 1.243 12.012 -4.953 1.00 0.00 C ATOM 187 C GLY A 10 0.506 10.731 -4.615 1.00 0.00 C ATOM 188 O GLY A 10 0.127 10.508 -3.465 1.00 0.00 O ATOM 0 H GLY A 10 0.140 13.272 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.316 11.823 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.045 12.756 -4.181 1.00 0.00 H new ATOM 192 N LYS A 11 0.299 9.886 -5.620 1.00 0.00 N ATOM 193 CA LYS A 11 -0.398 8.621 -5.425 1.00 0.00 C ATOM 194 C LYS A 11 0.463 7.449 -5.885 1.00 0.00 C ATOM 195 O LYS A 11 1.091 7.504 -6.943 1.00 0.00 O ATOM 196 CB LYS A 11 -1.725 8.623 -6.188 1.00 0.00 C ATOM 197 CG LYS A 11 -2.578 7.393 -5.928 1.00 0.00 C ATOM 198 CD LYS A 11 -3.685 7.255 -6.960 1.00 0.00 C ATOM 199 CE LYS A 11 -4.973 7.911 -6.487 1.00 0.00 C ATOM 200 NZ LYS A 11 -4.968 9.381 -6.730 1.00 0.00 N ATOM 0 H LYS A 11 0.605 10.055 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.599 8.506 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.292 9.513 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.520 8.694 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.949 6.503 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.014 7.455 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.368 7.709 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.866 6.199 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.821 7.460 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.109 7.719 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.935 9.752 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.350 9.846 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.615 9.573 -7.689 1.00 0.00 H new ATOM 214 N LEU A 12 0.487 6.388 -5.085 1.00 0.00 N ATOM 215 CA LEU A 12 1.270 5.201 -5.411 1.00 0.00 C ATOM 216 C LEU A 12 0.374 3.972 -5.525 1.00 0.00 C ATOM 217 O LEU A 12 -0.159 3.485 -4.528 1.00 0.00 O ATOM 218 CB LEU A 12 2.344 4.967 -4.348 1.00 0.00 C ATOM 219 CG LEU A 12 3.520 4.083 -4.765 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.309 4.740 -5.887 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.422 3.797 -3.573 1.00 0.00 C ATOM 0 H LEU A 12 -0.027 6.326 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 12 1.752 5.367 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.736 5.935 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.871 4.519 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 12 3.125 3.135 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.142 4.097 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.659 4.893 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.693 5.702 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.253 3.167 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.809 4.736 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.851 3.284 -2.799 1.00 0.00 H new ATOM 233 N PHE A 13 0.213 3.474 -6.747 1.00 0.00 N ATOM 234 CA PHE A 13 -0.617 2.300 -6.991 1.00 0.00 C ATOM 235 C PHE A 13 0.209 1.021 -6.898 1.00 0.00 C ATOM 236 O PHE A 13 1.093 0.778 -7.720 1.00 0.00 O ATOM 237 CB PHE A 13 -1.279 2.395 -8.367 1.00 0.00 C ATOM 238 CG PHE A 13 -1.722 1.067 -8.911 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.835 0.255 -9.599 1.00 0.00 C ATOM 240 CD2 PHE A 13 -3.025 0.631 -8.735 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.241 -0.967 -10.102 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.437 -0.590 -9.235 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.543 -1.390 -9.919 1.00 0.00 C ATOM 0 H PHE A 13 0.646 3.865 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.391 2.267 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.142 3.058 -8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.579 2.851 -9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.185 0.580 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.728 1.253 -8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.541 -1.591 -10.638 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.456 -0.918 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.861 -2.345 -10.310 1.00 0.00 H new ATOM 253 N VAL A 14 -0.086 0.205 -5.891 1.00 0.00 N ATOM 254 CA VAL A 14 0.629 -1.050 -5.690 1.00 0.00 C ATOM 255 C VAL A 14 0.054 -2.156 -6.568 1.00 0.00 C ATOM 256 O VAL A 14 -1.127 -2.488 -6.474 1.00 0.00 O ATOM 257 CB VAL A 14 0.573 -1.498 -4.217 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.502 -2.679 -3.982 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.923 -0.341 -3.295 1.00 0.00 C ATOM 0 H VAL A 14 -0.815 0.390 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 14 1.668 -0.871 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.444 -1.817 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.449 -2.981 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.199 -3.512 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.525 -2.391 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.878 -0.675 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.930 0.012 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.212 0.472 -3.445 1.00 0.00 H new ATOM 269 N GLY A 15 0.899 -2.725 -7.423 1.00 0.00 N ATOM 270 CA GLY A 15 0.458 -3.788 -8.306 1.00 0.00 C ATOM 271 C GLY A 15 1.103 -5.120 -7.978 1.00 0.00 C ATOM 272 O GLY A 15 2.116 -5.489 -8.569 1.00 0.00 O ATOM 0 H GLY A 15 1.881 -2.468 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.625 -3.886 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.690 -3.520 -9.337 1.00 0.00 H new ATOM 276 N GLY A 16 0.514 -5.843 -7.030 1.00 0.00 N ATOM 277 CA GLY A 16 1.053 -7.132 -6.638 1.00 0.00 C ATOM 278 C GLY A 16 0.854 -7.421 -5.164 1.00 0.00 C ATOM 279 O GLY A 16 1.683 -8.080 -4.535 1.00 0.00 O ATOM 0 H GLY A 16 -0.327 -5.559 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.576 -7.916 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.117 -7.163 -6.870 1.00 0.00 H new ATOM 283 N LEU A 17 -0.247 -6.925 -4.609 1.00 0.00 N ATOM 284 CA LEU A 17 -0.553 -7.132 -3.198 1.00 0.00 C ATOM 285 C LEU A 17 -1.031 -8.559 -2.947 1.00 0.00 C ATOM 286 O LEU A 17 -1.235 -9.329 -3.886 1.00 0.00 O ATOM 287 CB LEU A 17 -1.618 -6.137 -2.735 1.00 0.00 C ATOM 288 CG LEU A 17 -1.196 -4.667 -2.707 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.413 -3.765 -2.569 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.213 -4.416 -1.573 1.00 0.00 C ATOM 0 H LEU A 17 -0.942 -6.377 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 17 0.361 -6.969 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.485 -6.233 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.941 -6.421 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.701 -4.433 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.093 -2.723 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.082 -3.925 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.937 -4.000 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.076 -3.365 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.683 -4.667 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.672 -5.036 -1.715 1.00 0.00 H new ATOM 302 N ASP A 18 -1.208 -8.903 -1.677 1.00 0.00 N ATOM 303 CA ASP A 18 -1.666 -10.236 -1.303 1.00 0.00 C ATOM 304 C ASP A 18 -3.014 -10.169 -0.592 1.00 0.00 C ATOM 305 O ASP A 18 -3.320 -9.189 0.087 1.00 0.00 O ATOM 306 CB ASP A 18 -0.635 -10.918 -0.402 1.00 0.00 C ATOM 307 CG ASP A 18 -0.785 -12.427 -0.390 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.290 -12.982 -1.388 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.396 -13.053 0.618 1.00 0.00 O ATOM 0 H ASP A 18 -1.041 -8.278 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.785 -10.821 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.368 -10.658 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.737 -10.538 0.614 1.00 0.00 H new ATOM 314 N TRP A 19 -3.815 -11.215 -0.755 1.00 0.00 N ATOM 315 CA TRP A 19 -5.132 -11.274 -0.130 1.00 0.00 C ATOM 316 C TRP A 19 -5.030 -11.058 1.376 1.00 0.00 C ATOM 317 O TRP A 19 -5.978 -10.598 2.011 1.00 0.00 O ATOM 318 CB TRP A 19 -5.797 -12.620 -0.421 1.00 0.00 C ATOM 319 CG TRP A 19 -5.111 -13.777 0.241 1.00 0.00 C ATOM 320 CD1 TRP A 19 -4.161 -14.590 -0.309 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.323 -14.250 1.575 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.770 -15.540 0.603 1.00 0.00 N ATOM 323 CE2 TRP A 19 -4.468 -15.353 1.767 1.00 0.00 C ATOM 324 CE3 TRP A 19 -6.151 -13.849 2.627 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -4.419 -16.057 2.967 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -6.101 -14.549 3.818 1.00 0.00 C ATOM 327 CH2 TRP A 19 -5.240 -15.642 3.980 1.00 0.00 C ATOM 0 H TRP A 19 -3.576 -12.034 -1.314 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.743 -10.476 -0.552 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.835 -12.584 -0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.812 -12.784 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.774 -14.499 -1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.073 -16.267 0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.818 -13.007 2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.757 -16.901 3.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.737 -14.248 4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.224 -16.168 4.923 1.00 0.00 H new ATOM 338 N SER A 20 -3.874 -11.392 1.940 1.00 0.00 N ATOM 339 CA SER A 20 -3.650 -11.237 3.373 1.00 0.00 C ATOM 340 C SER A 20 -3.271 -9.798 3.711 1.00 0.00 C ATOM 341 O SER A 20 -3.702 -9.252 4.727 1.00 0.00 O ATOM 342 CB SER A 20 -2.551 -12.190 3.845 1.00 0.00 C ATOM 343 OG SER A 20 -1.335 -11.945 3.160 1.00 0.00 O ATOM 0 H SER A 20 -3.078 -11.772 1.427 1.00 0.00 H new ATOM 0 HA SER A 20 -4.579 -11.481 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.398 -12.071 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.864 -13.221 3.680 1.00 0.00 H new ATOM 0 HG SER A 20 -1.308 -12.481 2.340 1.00 0.00 H new ATOM 349 N THR A 21 -2.461 -9.189 2.851 1.00 0.00 N ATOM 350 CA THR A 21 -2.022 -7.814 3.058 1.00 0.00 C ATOM 351 C THR A 21 -3.188 -6.920 3.462 1.00 0.00 C ATOM 352 O THR A 21 -4.292 -7.043 2.932 1.00 0.00 O ATOM 353 CB THR A 21 -1.363 -7.239 1.790 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.153 -7.948 1.501 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.060 -5.758 1.962 1.00 0.00 C ATOM 0 H THR A 21 -2.096 -9.626 2.005 1.00 0.00 H new ATOM 0 HA THR A 21 -1.288 -7.834 3.863 1.00 0.00 H new ATOM 0 HB THR A 21 -2.060 -7.358 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.258 -7.577 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.595 -5.374 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.987 -5.217 2.152 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.381 -5.621 2.803 1.00 0.00 H new ATOM 363 N THR A 22 -2.935 -6.016 4.405 1.00 0.00 N ATOM 364 CA THR A 22 -3.964 -5.101 4.881 1.00 0.00 C ATOM 365 C THR A 22 -3.531 -3.649 4.709 1.00 0.00 C ATOM 366 O THR A 22 -2.355 -3.367 4.478 1.00 0.00 O ATOM 367 CB THR A 22 -4.298 -5.353 6.363 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.101 -5.319 7.148 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.990 -6.696 6.542 1.00 0.00 C ATOM 0 H THR A 22 -2.026 -5.899 4.853 1.00 0.00 H new ATOM 0 HA THR A 22 -4.854 -5.286 4.279 1.00 0.00 H new ATOM 0 HB THR A 22 -4.974 -4.567 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.322 -5.478 8.089 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.216 -6.851 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.916 -6.708 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.335 -7.493 6.190 1.00 0.00 H new ATOM 377 N GLN A 23 -4.487 -2.733 4.823 1.00 0.00 N ATOM 378 CA GLN A 23 -4.203 -1.311 4.680 1.00 0.00 C ATOM 379 C GLN A 23 -3.352 -0.806 5.841 1.00 0.00 C ATOM 380 O GLN A 23 -2.476 0.039 5.659 1.00 0.00 O ATOM 381 CB GLN A 23 -5.506 -0.513 4.603 1.00 0.00 C ATOM 382 CG GLN A 23 -6.061 -0.391 3.193 1.00 0.00 C ATOM 383 CD GLN A 23 -7.437 0.244 3.161 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.473 -0.582 3.246 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 -7.569 1.465 3.062 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.465 -2.951 5.014 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.644 -1.170 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.252 -0.989 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.335 0.486 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.377 0.203 2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.111 -1.381 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.745 2.064 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.502 1.877 3.043 1.00 0.00 H new ATOM 394 N GLU A 24 -3.617 -1.330 7.034 1.00 0.00 N ATOM 395 CA GLU A 24 -2.876 -0.931 8.225 1.00 0.00 C ATOM 396 C GLU A 24 -1.378 -1.149 8.032 1.00 0.00 C ATOM 397 O GLU A 24 -0.592 -0.201 8.057 1.00 0.00 O ATOM 398 CB GLU A 24 -3.364 -1.716 9.443 1.00 0.00 C ATOM 399 CG GLU A 24 -4.523 -1.055 10.170 1.00 0.00 C ATOM 400 CD GLU A 24 -5.179 -1.976 11.180 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.722 -2.005 12.342 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.151 -2.667 10.809 1.00 0.00 O ATOM 0 H GLU A 24 -4.339 -2.031 7.201 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.052 0.132 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.668 -2.713 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.535 -1.843 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.165 -0.160 10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.267 -0.732 9.442 1.00 0.00 H new ATOM 409 N THR A 25 -0.989 -2.405 7.839 1.00 0.00 N ATOM 410 CA THR A 25 0.414 -2.749 7.643 1.00 0.00 C ATOM 411 C THR A 25 0.991 -2.034 6.427 1.00 0.00 C ATOM 412 O THR A 25 2.141 -1.590 6.443 1.00 0.00 O ATOM 413 CB THR A 25 0.601 -4.268 7.467 1.00 0.00 C ATOM 414 OG1 THR A 25 0.149 -4.956 8.639 1.00 0.00 O ATOM 415 CG2 THR A 25 2.060 -4.607 7.206 1.00 0.00 C ATOM 0 H THR A 25 -1.626 -3.201 7.814 1.00 0.00 H new ATOM 0 HA THR A 25 0.946 -2.426 8.538 1.00 0.00 H new ATOM 0 HB THR A 25 0.011 -4.587 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.270 -5.921 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.167 -5.685 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.393 -4.105 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.667 -4.274 8.048 1.00 0.00 H new ATOM 423 N LEU A 26 0.188 -1.923 5.375 1.00 0.00 N ATOM 424 CA LEU A 26 0.619 -1.260 4.150 1.00 0.00 C ATOM 425 C LEU A 26 0.994 0.194 4.420 1.00 0.00 C ATOM 426 O LEU A 26 2.053 0.661 4.000 1.00 0.00 O ATOM 427 CB LEU A 26 -0.486 -1.325 3.095 1.00 0.00 C ATOM 428 CG LEU A 26 -0.068 -0.992 1.662 1.00 0.00 C ATOM 429 CD1 LEU A 26 1.070 -1.896 1.215 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.254 -1.118 0.717 1.00 0.00 C ATOM 0 H LEU A 26 -0.766 -2.284 5.346 1.00 0.00 H new ATOM 0 HA LEU A 26 1.501 -1.780 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.911 -2.329 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.281 -0.640 3.388 1.00 0.00 H new ATOM 0 HG LEU A 26 0.283 0.040 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.354 -1.645 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.926 -1.756 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.746 -2.936 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.938 -0.877 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.635 -2.139 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.040 -0.428 1.025 1.00 0.00 H new ATOM 442 N ARG A 27 0.120 0.903 5.126 1.00 0.00 N ATOM 443 CA ARG A 27 0.359 2.304 5.454 1.00 0.00 C ATOM 444 C ARG A 27 1.772 2.501 5.996 1.00 0.00 C ATOM 445 O ARG A 27 2.530 3.331 5.493 1.00 0.00 O ATOM 446 CB ARG A 27 -0.665 2.792 6.480 1.00 0.00 C ATOM 447 CG ARG A 27 -2.054 3.003 5.901 1.00 0.00 C ATOM 448 CD ARG A 27 -3.115 3.018 6.991 1.00 0.00 C ATOM 449 NE ARG A 27 -2.958 4.157 7.891 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.549 4.242 9.078 1.00 0.00 C ATOM 451 NH1 ARG A 27 -4.331 3.261 9.505 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.358 5.311 9.840 1.00 0.00 N ATOM 0 H ARG A 27 -0.760 0.531 5.482 1.00 0.00 H new ATOM 0 HA ARG A 27 0.253 2.889 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.726 2.068 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.315 3.729 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.081 3.944 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.276 2.210 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.104 3.051 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.059 2.093 7.564 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.362 4.929 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.481 2.438 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.783 3.329 10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.757 6.068 9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.812 5.376 10.751 1.00 0.00 H new ATOM 466 N SER A 28 2.119 1.733 7.023 1.00 0.00 N ATOM 467 CA SER A 28 3.439 1.826 7.636 1.00 0.00 C ATOM 468 C SER A 28 4.531 1.479 6.629 1.00 0.00 C ATOM 469 O SER A 28 5.411 2.292 6.346 1.00 0.00 O ATOM 470 CB SER A 28 3.530 0.895 8.846 1.00 0.00 C ATOM 471 OG SER A 28 2.980 1.504 10.002 1.00 0.00 O ATOM 0 H SER A 28 1.504 1.039 7.449 1.00 0.00 H new ATOM 0 HA SER A 28 3.587 2.854 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.001 -0.034 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.572 0.634 9.030 1.00 0.00 H new ATOM 0 HG SER A 28 3.049 0.888 10.761 1.00 0.00 H new ATOM 477 N TYR A 29 4.468 0.265 6.093 1.00 0.00 N ATOM 478 CA TYR A 29 5.452 -0.192 5.120 1.00 0.00 C ATOM 479 C TYR A 29 5.868 0.944 4.190 1.00 0.00 C ATOM 480 O TYR A 29 7.037 1.068 3.826 1.00 0.00 O ATOM 481 CB TYR A 29 4.889 -1.356 4.302 1.00 0.00 C ATOM 482 CG TYR A 29 5.892 -1.969 3.351 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.863 -2.850 3.808 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.867 -1.667 1.994 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.782 -3.412 2.942 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.780 -2.225 1.121 1.00 0.00 C ATOM 487 CZ TYR A 29 7.736 -3.097 1.600 1.00 0.00 C ATOM 488 OH TYR A 29 8.649 -3.655 0.735 1.00 0.00 O ATOM 0 H TYR A 29 3.746 -0.420 6.316 1.00 0.00 H new ATOM 0 HA TYR A 29 6.333 -0.532 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.529 -2.127 4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.028 -1.006 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.901 -3.100 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.121 -0.984 1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.532 -4.094 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.746 -1.980 0.070 1.00 0.00 H new ATOM 0 HH TYR A 29 8.795 -4.594 0.974 1.00 0.00 H new ATOM 498 N PHE A 30 4.900 1.771 3.808 1.00 0.00 N ATOM 499 CA PHE A 30 5.164 2.898 2.921 1.00 0.00 C ATOM 500 C PHE A 30 5.496 4.154 3.720 1.00 0.00 C ATOM 501 O PHE A 30 6.250 5.013 3.262 1.00 0.00 O ATOM 502 CB PHE A 30 3.955 3.158 2.020 1.00 0.00 C ATOM 503 CG PHE A 30 3.943 2.317 0.775 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.954 2.432 -0.164 1.00 0.00 C ATOM 505 CD2 PHE A 30 2.919 1.411 0.545 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.946 1.659 -1.311 1.00 0.00 C ATOM 507 CE2 PHE A 30 2.906 0.636 -0.599 1.00 0.00 C ATOM 508 CZ PHE A 30 3.920 0.760 -1.528 1.00 0.00 C ATOM 0 H PHE A 30 3.926 1.682 4.099 1.00 0.00 H new ATOM 0 HA PHE A 30 6.024 2.646 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.043 2.968 2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.942 4.211 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.758 3.134 0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.123 1.310 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.741 1.758 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.103 -0.066 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.911 0.155 -2.423 1.00 0.00 H new ATOM 518 N SER A 31 4.927 4.254 4.917 1.00 0.00 N ATOM 519 CA SER A 31 5.158 5.407 5.779 1.00 0.00 C ATOM 520 C SER A 31 6.651 5.626 6.005 1.00 0.00 C ATOM 521 O SER A 31 7.116 6.762 6.090 1.00 0.00 O ATOM 522 CB SER A 31 4.451 5.217 7.122 1.00 0.00 C ATOM 523 OG SER A 31 5.239 4.443 8.009 1.00 0.00 O ATOM 0 H SER A 31 4.303 3.551 5.312 1.00 0.00 H new ATOM 0 HA SER A 31 4.750 6.287 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.245 6.190 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.490 4.728 6.964 1.00 0.00 H new ATOM 0 HG SER A 31 5.488 3.601 7.575 1.00 0.00 H new ATOM 529 N GLN A 32 7.396 4.529 6.101 1.00 0.00 N ATOM 530 CA GLN A 32 8.836 4.601 6.317 1.00 0.00 C ATOM 531 C GLN A 32 9.515 5.390 5.203 1.00 0.00 C ATOM 532 O GLN A 32 10.596 5.949 5.395 1.00 0.00 O ATOM 533 CB GLN A 32 9.431 3.194 6.397 1.00 0.00 C ATOM 534 CG GLN A 32 8.825 2.219 5.401 1.00 0.00 C ATOM 535 CD GLN A 32 9.798 1.137 4.976 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.896 1.426 4.500 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.400 -0.118 5.147 1.00 0.00 N ATOM 0 H GLN A 32 7.026 3.581 6.033 1.00 0.00 H new ATOM 0 HA GLN A 32 9.011 5.117 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.506 3.253 6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.289 2.805 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.943 1.756 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.490 2.767 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.481 -0.312 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.013 -0.888 4.880 1.00 0.00 H new ATOM 546 N TYR A 33 8.875 5.433 4.040 1.00 0.00 N ATOM 547 CA TYR A 33 9.419 6.152 2.894 1.00 0.00 C ATOM 548 C TYR A 33 8.823 7.553 2.797 1.00 0.00 C ATOM 549 O TYR A 33 9.546 8.543 2.706 1.00 0.00 O ATOM 550 CB TYR A 33 9.146 5.378 1.603 1.00 0.00 C ATOM 551 CG TYR A 33 9.822 4.027 1.553 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.188 2.893 2.047 1.00 0.00 C ATOM 553 CD2 TYR A 33 11.094 3.883 1.013 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.801 1.656 2.004 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.714 2.650 0.964 1.00 0.00 C ATOM 556 CZ TYR A 33 11.064 1.539 1.461 1.00 0.00 C ATOM 557 OH TYR A 33 11.679 0.309 1.416 1.00 0.00 O ATOM 0 H TYR A 33 7.979 4.978 3.866 1.00 0.00 H new ATOM 0 HA TYR A 33 10.496 6.244 3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.070 5.241 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.481 5.974 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.199 2.981 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.607 4.751 0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.295 0.785 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.702 2.556 0.539 1.00 0.00 H new ATOM 0 HH TYR A 33 12.563 0.400 1.003 1.00 0.00 H new ATOM 567 N GLY A 34 7.495 7.626 2.817 1.00 0.00 N ATOM 568 CA GLY A 34 6.822 8.909 2.731 1.00 0.00 C ATOM 569 C GLY A 34 5.623 8.998 3.654 1.00 0.00 C ATOM 570 O GLY A 34 4.923 8.009 3.869 1.00 0.00 O ATOM 0 H GLY A 34 6.874 6.820 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.527 9.703 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.499 9.078 1.704 1.00 0.00 H new ATOM 574 N GLU A 35 5.387 10.186 4.203 1.00 0.00 N ATOM 575 CA GLU A 35 4.266 10.398 5.110 1.00 0.00 C ATOM 576 C GLU A 35 2.952 9.971 4.462 1.00 0.00 C ATOM 577 O GLU A 35 2.371 10.709 3.666 1.00 0.00 O ATOM 578 CB GLU A 35 4.188 11.869 5.525 1.00 0.00 C ATOM 579 CG GLU A 35 2.847 12.263 6.121 1.00 0.00 C ATOM 580 CD GLU A 35 2.959 13.416 7.099 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.076 13.664 7.599 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.929 14.072 7.363 1.00 0.00 O ATOM 0 H GLU A 35 5.957 11.015 4.035 1.00 0.00 H new ATOM 0 HA GLU A 35 4.429 9.785 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.974 12.075 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.387 12.494 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.163 12.538 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.412 11.402 6.629 1.00 0.00 H new ATOM 589 N VAL A 36 2.491 8.773 4.806 1.00 0.00 N ATOM 590 CA VAL A 36 1.246 8.246 4.259 1.00 0.00 C ATOM 591 C VAL A 36 0.057 9.104 4.674 1.00 0.00 C ATOM 592 O VAL A 36 -0.167 9.342 5.861 1.00 0.00 O ATOM 593 CB VAL A 36 1.002 6.795 4.714 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.341 6.294 4.205 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.131 5.892 4.242 1.00 0.00 C ATOM 0 H VAL A 36 2.961 8.149 5.461 1.00 0.00 H new ATOM 0 HA VAL A 36 1.344 8.266 3.174 1.00 0.00 H new ATOM 0 HB VAL A 36 0.981 6.773 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.496 5.267 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.138 6.926 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.353 6.329 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.942 4.871 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.186 5.917 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.075 6.240 4.661 1.00 0.00 H new ATOM 605 N VAL A 37 -0.705 9.568 3.688 1.00 0.00 N ATOM 606 CA VAL A 37 -1.874 10.399 3.950 1.00 0.00 C ATOM 607 C VAL A 37 -3.153 9.570 3.927 1.00 0.00 C ATOM 608 O VAL A 37 -4.051 9.773 4.746 1.00 0.00 O ATOM 609 CB VAL A 37 -1.994 11.538 2.922 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.869 12.658 3.465 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.617 12.063 2.544 1.00 0.00 C ATOM 0 H VAL A 37 -0.533 9.382 2.700 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.741 10.829 4.943 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.467 11.143 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.942 13.454 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.865 12.270 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.428 13.053 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.722 12.868 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.115 12.442 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.026 11.256 2.110 1.00 0.00 H new ATOM 621 N ASP A 38 -3.230 8.637 2.986 1.00 0.00 N ATOM 622 CA ASP A 38 -4.400 7.776 2.856 1.00 0.00 C ATOM 623 C ASP A 38 -4.052 6.496 2.103 1.00 0.00 C ATOM 624 O ASP A 38 -3.632 6.540 0.946 1.00 0.00 O ATOM 625 CB ASP A 38 -5.528 8.516 2.136 1.00 0.00 C ATOM 626 CG ASP A 38 -6.901 8.040 2.567 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.033 6.849 2.920 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.844 8.859 2.554 1.00 0.00 O ATOM 0 H ASP A 38 -2.496 8.457 2.301 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.735 7.507 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.440 9.585 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.420 8.378 1.060 1.00 0.00 H new ATOM 633 N CYS A 39 -4.228 5.358 2.766 1.00 0.00 N ATOM 634 CA CYS A 39 -3.931 4.066 2.159 1.00 0.00 C ATOM 635 C CYS A 39 -5.214 3.342 1.765 1.00 0.00 C ATOM 636 O CYS A 39 -6.209 3.383 2.488 1.00 0.00 O ATOM 637 CB CYS A 39 -3.119 3.201 3.125 1.00 0.00 C ATOM 638 SG CYS A 39 -2.879 1.498 2.566 1.00 0.00 S ATOM 0 H CYS A 39 -4.575 5.304 3.724 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.344 4.242 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.144 3.663 3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.620 3.187 4.093 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.607 1.256 2.444 1.00 0.00 H new ATOM 644 N VAL A 40 -5.184 2.681 0.612 1.00 0.00 N ATOM 645 CA VAL A 40 -6.345 1.949 0.120 1.00 0.00 C ATOM 646 C VAL A 40 -5.938 0.598 -0.457 1.00 0.00 C ATOM 647 O VAL A 40 -4.886 0.471 -1.084 1.00 0.00 O ATOM 648 CB VAL A 40 -7.098 2.750 -0.958 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.437 2.098 -1.270 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.289 4.192 -0.514 1.00 0.00 C ATOM 0 H VAL A 40 -4.368 2.637 0.001 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.006 1.793 0.973 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.500 2.751 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.955 2.678 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.272 1.084 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.045 2.064 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.823 4.743 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.865 4.215 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.316 4.653 -0.346 1.00 0.00 H new ATOM 660 N ILE A 41 -6.779 -0.409 -0.242 1.00 0.00 N ATOM 661 CA ILE A 41 -6.507 -1.751 -0.742 1.00 0.00 C ATOM 662 C ILE A 41 -7.749 -2.359 -1.386 1.00 0.00 C ATOM 663 O ILE A 41 -8.651 -2.830 -0.694 1.00 0.00 O ATOM 664 CB ILE A 41 -6.017 -2.682 0.382 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.637 -2.241 0.874 1.00 0.00 C ATOM 666 CG2 ILE A 41 -5.976 -4.123 -0.105 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.022 -3.189 1.880 1.00 0.00 C ATOM 0 H ILE A 41 -7.654 -0.321 0.275 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.721 -1.656 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.716 -2.620 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.968 -2.148 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.720 -1.251 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.628 -4.770 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.975 -4.432 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.296 -4.201 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.045 -2.813 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.670 -3.264 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.907 -4.174 1.428 1.00 0.00 H new ATOM 679 N MET A 42 -7.786 -2.346 -2.714 1.00 0.00 N ATOM 680 CA MET A 42 -8.916 -2.899 -3.452 1.00 0.00 C ATOM 681 C MET A 42 -9.248 -4.306 -2.963 1.00 0.00 C ATOM 682 O MET A 42 -8.384 -5.015 -2.447 1.00 0.00 O ATOM 683 CB MET A 42 -8.610 -2.927 -4.950 1.00 0.00 C ATOM 684 CG MET A 42 -8.237 -1.568 -5.520 1.00 0.00 C ATOM 685 SD MET A 42 -9.678 -0.596 -5.999 1.00 0.00 S ATOM 686 CE MET A 42 -10.000 0.302 -4.482 1.00 0.00 C ATOM 0 H MET A 42 -7.047 -1.959 -3.301 1.00 0.00 H new ATOM 0 HA MET A 42 -9.780 -2.258 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.793 -3.625 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.481 -3.309 -5.483 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.660 -1.014 -4.780 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.593 -1.707 -6.388 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.019 0.102 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.298 -0.020 -3.713 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.879 1.371 -4.659 1.00 0.00 H new ATOM 696 N LYS A 43 -10.506 -4.703 -3.127 1.00 0.00 N ATOM 697 CA LYS A 43 -10.952 -6.024 -2.703 1.00 0.00 C ATOM 698 C LYS A 43 -12.035 -6.558 -3.636 1.00 0.00 C ATOM 699 O LYS A 43 -12.658 -5.798 -4.378 1.00 0.00 O ATOM 700 CB LYS A 43 -11.482 -5.971 -1.269 1.00 0.00 C ATOM 701 CG LYS A 43 -10.404 -6.164 -0.215 1.00 0.00 C ATOM 702 CD LYS A 43 -10.792 -5.516 1.104 1.00 0.00 C ATOM 703 CE LYS A 43 -9.569 -5.216 1.957 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.939 -4.576 3.250 1.00 0.00 N ATOM 0 H LYS A 43 -11.234 -4.128 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.096 -6.698 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.970 -5.010 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.244 -6.741 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.231 -7.229 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.466 -5.736 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.338 -4.592 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.466 -6.176 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.026 -6.141 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.894 -4.560 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.078 -4.387 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.435 -3.681 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.562 -5.212 3.787 1.00 0.00 H new ATOM 718 N ASP A 44 -12.255 -7.867 -3.592 1.00 0.00 N ATOM 719 CA ASP A 44 -13.265 -8.501 -4.432 1.00 0.00 C ATOM 720 C ASP A 44 -14.663 -8.019 -4.058 1.00 0.00 C ATOM 721 O ASP A 44 -14.849 -7.344 -3.045 1.00 0.00 O ATOM 722 CB ASP A 44 -13.185 -10.023 -4.301 1.00 0.00 C ATOM 723 CG ASP A 44 -14.161 -10.735 -5.218 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.175 -10.421 -6.427 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.911 -11.604 -4.727 1.00 0.00 O ATOM 0 H ASP A 44 -11.748 -8.510 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.069 -8.222 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.171 -10.352 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.388 -10.307 -3.268 1.00 0.00 H new ATOM 730 N LYS A 45 -15.644 -8.368 -4.884 1.00 0.00 N ATOM 731 CA LYS A 45 -17.026 -7.972 -4.641 1.00 0.00 C ATOM 732 C LYS A 45 -17.677 -8.876 -3.599 1.00 0.00 C ATOM 733 O LYS A 45 -18.219 -8.401 -2.601 1.00 0.00 O ATOM 734 CB LYS A 45 -17.828 -8.019 -5.944 1.00 0.00 C ATOM 735 CG LYS A 45 -19.294 -7.664 -5.769 1.00 0.00 C ATOM 736 CD LYS A 45 -19.500 -6.160 -5.705 1.00 0.00 C ATOM 737 CE LYS A 45 -20.923 -5.809 -5.297 1.00 0.00 C ATOM 738 NZ LYS A 45 -21.187 -4.348 -5.408 1.00 0.00 N ATOM 0 H LYS A 45 -15.507 -8.924 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.023 -6.951 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.380 -7.332 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.753 -9.019 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.870 -8.076 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.674 -8.123 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.799 -5.726 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.280 -5.720 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.626 -6.354 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.097 -6.133 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.167 -4.150 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.533 -3.829 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.046 -4.044 -6.392 1.00 0.00 H new ATOM 752 N THR A 46 -17.617 -10.183 -3.836 1.00 0.00 N ATOM 753 CA THR A 46 -18.200 -11.153 -2.918 1.00 0.00 C ATOM 754 C THR A 46 -17.196 -11.571 -1.849 1.00 0.00 C ATOM 755 O THR A 46 -17.479 -11.495 -0.653 1.00 0.00 O ATOM 756 CB THR A 46 -18.690 -12.409 -3.663 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.610 -12.037 -4.696 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.361 -13.381 -2.704 1.00 0.00 C ATOM 0 H THR A 46 -17.170 -10.594 -4.656 1.00 0.00 H new ATOM 0 HA THR A 46 -19.052 -10.665 -2.443 1.00 0.00 H new ATOM 0 HB THR A 46 -17.825 -12.902 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.916 -12.840 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.698 -14.260 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.649 -13.684 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.217 -12.896 -2.234 1.00 0.00 H new ATOM 766 N THR A 47 -16.021 -12.011 -2.287 1.00 0.00 N ATOM 767 CA THR A 47 -14.975 -12.441 -1.368 1.00 0.00 C ATOM 768 C THR A 47 -14.464 -11.273 -0.532 1.00 0.00 C ATOM 769 O THR A 47 -14.052 -11.451 0.614 1.00 0.00 O ATOM 770 CB THR A 47 -13.791 -13.075 -2.122 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.266 -14.081 -3.023 1.00 0.00 O ATOM 772 CG2 THR A 47 -12.795 -13.688 -1.148 1.00 0.00 C ATOM 0 H THR A 47 -15.770 -12.079 -3.273 1.00 0.00 H new ATOM 0 HA THR A 47 -15.419 -13.188 -0.710 1.00 0.00 H new ATOM 0 HB THR A 47 -13.287 -12.291 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.603 -13.656 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.968 -14.130 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.413 -12.914 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.290 -14.460 -0.559 1.00 0.00 H new ATOM 780 N ASN A 48 -14.494 -10.078 -1.112 1.00 0.00 N ATOM 781 CA ASN A 48 -14.033 -8.880 -0.419 1.00 0.00 C ATOM 782 C ASN A 48 -12.615 -9.069 0.110 1.00 0.00 C ATOM 783 O ASN A 48 -12.287 -8.620 1.207 1.00 0.00 O ATOM 784 CB ASN A 48 -14.978 -8.538 0.734 1.00 0.00 C ATOM 785 CG ASN A 48 -15.033 -7.048 1.014 1.00 0.00 C ATOM 786 OD1 ASN A 48 -14.581 -6.585 2.061 1.00 0.00 O ATOM 787 ND2 ASN A 48 -15.589 -6.290 0.076 1.00 0.00 N ATOM 0 H ASN A 48 -14.833 -9.913 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.028 -8.056 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.980 -8.898 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.654 -9.062 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.654 -5.281 0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.951 -6.717 -0.777 1.00 0.00 H new ATOM 794 N GLN A 49 -11.779 -9.736 -0.679 1.00 0.00 N ATOM 795 CA GLN A 49 -10.396 -9.985 -0.290 1.00 0.00 C ATOM 796 C GLN A 49 -9.431 -9.230 -1.198 1.00 0.00 C ATOM 797 O GLN A 49 -9.644 -9.139 -2.407 1.00 0.00 O ATOM 798 CB GLN A 49 -10.092 -11.483 -0.336 1.00 0.00 C ATOM 799 CG GLN A 49 -10.830 -12.286 0.723 1.00 0.00 C ATOM 800 CD GLN A 49 -10.416 -11.913 2.133 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.372 -11.295 2.342 1.00 0.00 O ATOM 802 NE2 GLN A 49 -11.235 -12.288 3.109 1.00 0.00 N ATOM 0 H GLN A 49 -12.035 -10.114 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.262 -9.626 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.355 -11.869 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.019 -11.632 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.903 -12.129 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.644 -13.348 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.090 -12.799 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.009 -12.065 4.078 1.00 0.00 H new ATOM 811 N SER A 50 -8.369 -8.691 -0.608 1.00 0.00 N ATOM 812 CA SER A 50 -7.373 -7.941 -1.363 1.00 0.00 C ATOM 813 C SER A 50 -6.927 -8.719 -2.597 1.00 0.00 C ATOM 814 O SER A 50 -6.026 -9.556 -2.525 1.00 0.00 O ATOM 815 CB SER A 50 -6.163 -7.625 -0.481 1.00 0.00 C ATOM 816 OG SER A 50 -6.569 -7.232 0.819 1.00 0.00 O ATOM 0 H SER A 50 -8.176 -8.760 0.391 1.00 0.00 H new ATOM 0 HA SER A 50 -7.830 -7.006 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.518 -8.501 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.574 -6.830 -0.938 1.00 0.00 H new ATOM 0 HG SER A 50 -5.788 -7.203 1.411 1.00 0.00 H new ATOM 822 N ARG A 51 -7.564 -8.438 -3.729 1.00 0.00 N ATOM 823 CA ARG A 51 -7.235 -9.112 -4.979 1.00 0.00 C ATOM 824 C ARG A 51 -5.725 -9.159 -5.190 1.00 0.00 C ATOM 825 O ARG A 51 -5.161 -10.212 -5.482 1.00 0.00 O ATOM 826 CB ARG A 51 -7.904 -8.402 -6.157 1.00 0.00 C ATOM 827 CG ARG A 51 -9.379 -8.736 -6.312 1.00 0.00 C ATOM 828 CD ARG A 51 -10.153 -7.575 -6.916 1.00 0.00 C ATOM 829 NE ARG A 51 -10.194 -7.644 -8.374 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.053 -8.398 -9.050 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.938 -9.144 -8.403 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.028 -8.408 -10.377 1.00 0.00 N ATOM 0 H ARG A 51 -8.311 -7.748 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.608 -10.135 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.796 -7.325 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.381 -8.669 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.489 -9.617 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.800 -8.988 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.170 -7.575 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.694 -6.635 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.526 -7.082 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.960 -9.140 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.597 -9.722 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.348 -7.836 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.688 -8.988 -10.895 1.00 0.00 H new ATOM 846 N GLY A 52 -5.076 -8.008 -5.041 1.00 0.00 N ATOM 847 CA GLY A 52 -3.637 -7.939 -5.220 1.00 0.00 C ATOM 848 C GLY A 52 -3.182 -6.591 -5.743 1.00 0.00 C ATOM 849 O GLY A 52 -2.271 -6.512 -6.567 1.00 0.00 O ATOM 0 H GLY A 52 -5.521 -7.122 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.145 -8.141 -4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.322 -8.719 -5.913 1.00 0.00 H new ATOM 853 N PHE A 53 -3.818 -5.527 -5.264 1.00 0.00 N ATOM 854 CA PHE A 53 -3.475 -4.175 -5.690 1.00 0.00 C ATOM 855 C PHE A 53 -4.233 -3.137 -4.869 1.00 0.00 C ATOM 856 O PHE A 53 -5.300 -3.418 -4.325 1.00 0.00 O ATOM 857 CB PHE A 53 -3.786 -3.992 -7.177 1.00 0.00 C ATOM 858 CG PHE A 53 -5.214 -4.291 -7.532 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.627 -5.593 -7.763 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.145 -3.269 -7.634 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.941 -5.870 -8.090 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.460 -3.540 -7.961 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.859 -4.843 -8.188 1.00 0.00 C ATOM 0 H PHE A 53 -4.574 -5.575 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.407 -4.030 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.556 -2.966 -7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.132 -4.641 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.914 -6.401 -7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.839 -2.249 -7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.250 -6.889 -8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.175 -2.734 -8.039 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.887 -5.058 -8.442 1.00 0.00 H new ATOM 873 N GLY A 54 -3.673 -1.934 -4.784 1.00 0.00 N ATOM 874 CA GLY A 54 -4.309 -0.872 -4.027 1.00 0.00 C ATOM 875 C GLY A 54 -3.767 0.499 -4.384 1.00 0.00 C ATOM 876 O GLY A 54 -3.443 0.764 -5.541 1.00 0.00 O ATOM 0 H GLY A 54 -2.791 -1.676 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.383 -0.893 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.163 -1.051 -2.962 1.00 0.00 H new ATOM 880 N PHE A 55 -3.670 1.373 -3.387 1.00 0.00 N ATOM 881 CA PHE A 55 -3.167 2.724 -3.602 1.00 0.00 C ATOM 882 C PHE A 55 -2.589 3.301 -2.313 1.00 0.00 C ATOM 883 O PHE A 55 -2.895 2.831 -1.217 1.00 0.00 O ATOM 884 CB PHE A 55 -4.284 3.630 -4.123 1.00 0.00 C ATOM 885 CG PHE A 55 -4.947 3.110 -5.367 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.977 2.187 -5.284 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.541 3.545 -6.618 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.588 1.706 -6.427 1.00 0.00 C ATOM 889 CE2 PHE A 55 -5.149 3.068 -7.764 1.00 0.00 C ATOM 890 CZ PHE A 55 -6.174 2.148 -7.668 1.00 0.00 C ATOM 0 H PHE A 55 -3.933 1.169 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.372 2.674 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.036 3.751 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.874 4.619 -4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.306 1.840 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.740 4.265 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.388 0.985 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.823 3.415 -8.733 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.651 1.775 -8.562 1.00 0.00 H new ATOM 900 N VAL A 56 -1.750 4.322 -2.453 1.00 0.00 N ATOM 901 CA VAL A 56 -1.128 4.964 -1.301 1.00 0.00 C ATOM 902 C VAL A 56 -0.873 6.444 -1.567 1.00 0.00 C ATOM 903 O VAL A 56 -0.173 6.804 -2.514 1.00 0.00 O ATOM 904 CB VAL A 56 0.203 4.284 -0.929 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.843 4.978 0.263 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.017 2.806 -0.642 1.00 0.00 C ATOM 0 H VAL A 56 -1.485 4.723 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.824 4.862 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 56 0.884 4.369 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.782 4.483 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.037 6.022 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.169 4.927 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.933 2.341 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.715 2.696 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.427 2.321 -1.527 1.00 0.00 H new ATOM 916 N LYS A 57 -1.445 7.298 -0.726 1.00 0.00 N ATOM 917 CA LYS A 57 -1.279 8.740 -0.868 1.00 0.00 C ATOM 918 C LYS A 57 -0.083 9.232 -0.059 1.00 0.00 C ATOM 919 O LYS A 57 0.201 8.718 1.023 1.00 0.00 O ATOM 920 CB LYS A 57 -2.548 9.467 -0.416 1.00 0.00 C ATOM 921 CG LYS A 57 -2.791 10.777 -1.145 1.00 0.00 C ATOM 922 CD LYS A 57 -3.971 11.532 -0.557 1.00 0.00 C ATOM 923 CE LYS A 57 -3.948 12.999 -0.956 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.569 13.221 -2.291 1.00 0.00 N ATOM 0 H LYS A 57 -2.028 7.017 0.062 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.098 8.958 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.406 8.812 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.483 9.663 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.896 11.397 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.975 10.578 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.901 11.076 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.953 11.449 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.478 13.587 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.918 13.355 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.534 14.233 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.048 12.680 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.560 12.905 -2.270 1.00 0.00 H new ATOM 938 N PHE A 58 0.614 10.230 -0.591 1.00 0.00 N ATOM 939 CA PHE A 58 1.780 10.792 0.081 1.00 0.00 C ATOM 940 C PHE A 58 1.649 12.306 0.223 1.00 0.00 C ATOM 941 O PHE A 58 1.411 13.015 -0.755 1.00 0.00 O ATOM 942 CB PHE A 58 3.055 10.450 -0.691 1.00 0.00 C ATOM 943 CG PHE A 58 3.516 9.034 -0.490 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.286 8.692 0.610 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.178 8.046 -1.400 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.712 7.390 0.796 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.600 6.742 -1.218 1.00 0.00 C ATOM 948 CZ PHE A 58 4.368 6.414 -0.118 1.00 0.00 C ATOM 0 H PHE A 58 0.392 10.667 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 58 1.839 10.355 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.883 10.620 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.850 11.130 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.556 9.451 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.578 8.297 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.314 7.136 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.329 5.981 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.699 5.396 0.027 1.00 0.00 H new ATOM 958 N LYS A 59 1.805 12.795 1.449 1.00 0.00 N ATOM 959 CA LYS A 59 1.706 14.224 1.721 1.00 0.00 C ATOM 960 C LYS A 59 2.351 15.037 0.604 1.00 0.00 C ATOM 961 O LYS A 59 1.836 16.082 0.206 1.00 0.00 O ATOM 962 CB LYS A 59 2.371 14.557 3.058 1.00 0.00 C ATOM 963 CG LYS A 59 2.048 15.951 3.568 1.00 0.00 C ATOM 964 CD LYS A 59 2.143 16.026 5.083 1.00 0.00 C ATOM 965 CE LYS A 59 2.294 17.462 5.561 1.00 0.00 C ATOM 966 NZ LYS A 59 1.947 17.606 7.002 1.00 0.00 N ATOM 0 H LYS A 59 2.001 12.222 2.270 1.00 0.00 H new ATOM 0 HA LYS A 59 0.649 14.486 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.057 13.825 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.451 14.460 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.735 16.671 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.044 16.232 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.250 15.586 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.993 15.436 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.320 17.792 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.652 18.112 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.063 18.599 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.960 17.315 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.576 17.005 7.572 1.00 0.00 H new ATOM 980 N ASP A 60 3.481 14.551 0.101 1.00 0.00 N ATOM 981 CA ASP A 60 4.195 15.231 -0.973 1.00 0.00 C ATOM 982 C ASP A 60 4.430 14.291 -2.151 1.00 0.00 C ATOM 983 O ASP A 60 4.692 13.100 -1.983 1.00 0.00 O ATOM 984 CB ASP A 60 5.531 15.772 -0.462 1.00 0.00 C ATOM 985 CG ASP A 60 5.420 17.191 0.061 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.102 17.360 1.257 1.00 0.00 O ATOM 987 OD2 ASP A 60 5.651 18.133 -0.726 1.00 0.00 O ATOM 0 H ASP A 60 3.922 13.688 0.420 1.00 0.00 H new ATOM 0 HA ASP A 60 3.580 16.064 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.902 15.124 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.264 15.741 -1.268 1.00 0.00 H new ATOM 992 N PRO A 61 4.333 14.837 -3.373 1.00 0.00 N ATOM 993 CA PRO A 61 4.531 14.064 -4.602 1.00 0.00 C ATOM 994 C PRO A 61 5.985 13.646 -4.797 1.00 0.00 C ATOM 995 O PRO A 61 6.334 13.030 -5.803 1.00 0.00 O ATOM 996 CB PRO A 61 4.102 15.036 -5.705 1.00 0.00 C ATOM 997 CG PRO A 61 4.308 16.389 -5.117 1.00 0.00 C ATOM 998 CD PRO A 61 4.024 16.250 -3.647 1.00 0.00 C ATOM 0 HA PRO A 61 3.966 13.132 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.700 14.901 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.060 14.881 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.327 16.737 -5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.642 17.119 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.645 16.920 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.986 16.487 -3.414 1.00 0.00 H new ATOM 1006 N ASN A 62 6.828 13.984 -3.827 1.00 0.00 N ATOM 1007 CA ASN A 62 8.244 13.643 -3.892 1.00 0.00 C ATOM 1008 C ASN A 62 8.498 12.256 -3.307 1.00 0.00 C ATOM 1009 O ASN A 62 9.415 11.552 -3.729 1.00 0.00 O ATOM 1010 CB ASN A 62 9.076 14.685 -3.141 1.00 0.00 C ATOM 1011 CG ASN A 62 10.498 14.772 -3.661 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.455 14.522 -2.927 1.00 0.00 O ATOM 1013 ND2 ASN A 62 10.643 15.129 -4.932 1.00 0.00 N ATOM 0 H ASN A 62 6.555 14.494 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 62 8.542 13.636 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.599 15.661 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.094 14.436 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.576 15.205 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.821 15.327 -5.503 1.00 0.00 H new ATOM 1020 N CYS A 63 7.678 11.872 -2.335 1.00 0.00 N ATOM 1021 CA CYS A 63 7.813 10.570 -1.692 1.00 0.00 C ATOM 1022 C CYS A 63 7.624 9.442 -2.701 1.00 0.00 C ATOM 1023 O CYS A 63 8.327 8.432 -2.659 1.00 0.00 O ATOM 1024 CB CYS A 63 6.797 10.430 -0.557 1.00 0.00 C ATOM 1025 SG CYS A 63 7.171 11.437 0.897 1.00 0.00 S ATOM 0 H CYS A 63 6.913 12.443 -1.975 1.00 0.00 H new ATOM 0 HA CYS A 63 8.820 10.500 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.810 10.704 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.745 9.383 -0.257 1.00 0.00 H new ATOM 0 HG CYS A 63 6.255 11.252 1.800 1.00 0.00 H new ATOM 1031 N VAL A 64 6.669 9.621 -3.608 1.00 0.00 N ATOM 1032 CA VAL A 64 6.387 8.618 -4.629 1.00 0.00 C ATOM 1033 C VAL A 64 7.665 8.173 -5.330 1.00 0.00 C ATOM 1034 O VAL A 64 7.969 6.982 -5.392 1.00 0.00 O ATOM 1035 CB VAL A 64 5.397 9.152 -5.681 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.117 8.094 -6.737 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.107 9.608 -5.016 1.00 0.00 C ATOM 0 H VAL A 64 6.078 10.451 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 64 5.940 7.765 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 64 5.848 10.013 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.416 8.490 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.048 7.821 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.687 7.212 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.419 9.982 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.650 8.767 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.327 10.402 -4.302 1.00 0.00 H new ATOM 1047 N GLY A 65 8.413 9.138 -5.856 1.00 0.00 N ATOM 1048 CA GLY A 65 9.651 8.825 -6.546 1.00 0.00 C ATOM 1049 C GLY A 65 10.622 8.055 -5.673 1.00 0.00 C ATOM 1050 O GLY A 65 11.083 6.976 -6.046 1.00 0.00 O ATOM 0 H GLY A 65 8.184 10.131 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.428 8.241 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.122 9.750 -6.879 1.00 0.00 H new ATOM 1054 N THR A 66 10.935 8.610 -4.506 1.00 0.00 N ATOM 1055 CA THR A 66 11.860 7.970 -3.579 1.00 0.00 C ATOM 1056 C THR A 66 11.618 6.466 -3.512 1.00 0.00 C ATOM 1057 O THR A 66 12.561 5.676 -3.496 1.00 0.00 O ATOM 1058 CB THR A 66 11.735 8.563 -2.163 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.148 9.934 -2.167 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.579 7.776 -1.171 1.00 0.00 C ATOM 0 H THR A 66 10.561 9.502 -4.181 1.00 0.00 H new ATOM 0 HA THR A 66 12.866 8.157 -3.955 1.00 0.00 H new ATOM 0 HB THR A 66 10.691 8.500 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.064 10.304 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.475 8.213 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.242 6.740 -1.149 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.625 7.811 -1.475 1.00 0.00 H new ATOM 1068 N VAL A 67 10.347 6.077 -3.472 1.00 0.00 N ATOM 1069 CA VAL A 67 9.981 4.667 -3.408 1.00 0.00 C ATOM 1070 C VAL A 67 10.198 3.982 -4.753 1.00 0.00 C ATOM 1071 O VAL A 67 10.746 2.880 -4.819 1.00 0.00 O ATOM 1072 CB VAL A 67 8.512 4.488 -2.984 1.00 0.00 C ATOM 1073 CG1 VAL A 67 8.091 3.032 -3.121 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.305 4.979 -1.559 1.00 0.00 C ATOM 0 H VAL A 67 9.554 6.719 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 67 10.626 4.205 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 67 7.885 5.087 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.050 2.924 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.200 2.718 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.721 2.410 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.261 4.845 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.941 4.409 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.565 6.036 -1.497 1.00 0.00 H new ATOM 1084 N LEU A 68 9.766 4.640 -5.823 1.00 0.00 N ATOM 1085 CA LEU A 68 9.913 4.094 -7.168 1.00 0.00 C ATOM 1086 C LEU A 68 11.345 3.629 -7.413 1.00 0.00 C ATOM 1087 O LEU A 68 11.577 2.654 -8.127 1.00 0.00 O ATOM 1088 CB LEU A 68 9.520 5.142 -8.210 1.00 0.00 C ATOM 1089 CG LEU A 68 8.034 5.496 -8.279 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.813 6.699 -9.183 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.224 4.304 -8.767 1.00 0.00 C ATOM 0 H LEU A 68 9.311 5.552 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 68 9.250 3.233 -7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.081 6.054 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.834 4.785 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 68 7.695 5.754 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.750 6.936 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.362 7.555 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.168 6.469 -10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.169 4.574 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.565 4.015 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.357 3.468 -8.080 1.00 0.00 H new ATOM 1103 N ALA A 69 12.301 4.331 -6.814 1.00 0.00 N ATOM 1104 CA ALA A 69 13.709 3.987 -6.963 1.00 0.00 C ATOM 1105 C ALA A 69 14.082 2.802 -6.079 1.00 0.00 C ATOM 1106 O ALA A 69 14.948 2.001 -6.430 1.00 0.00 O ATOM 1107 CB ALA A 69 14.583 5.188 -6.636 1.00 0.00 C ATOM 0 H ALA A 69 12.126 5.142 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 69 13.879 3.700 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.632 4.917 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.343 6.008 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.400 5.502 -5.608 1.00 0.00 H new ATOM 1113 N SER A 70 13.423 2.698 -4.929 1.00 0.00 N ATOM 1114 CA SER A 70 13.689 1.613 -3.992 1.00 0.00 C ATOM 1115 C SER A 70 13.237 0.274 -4.568 1.00 0.00 C ATOM 1116 O SER A 70 13.710 -0.784 -4.153 1.00 0.00 O ATOM 1117 CB SER A 70 12.980 1.874 -2.662 1.00 0.00 C ATOM 1118 OG SER A 70 13.803 2.622 -1.783 1.00 0.00 O ATOM 0 H SER A 70 12.702 3.352 -4.624 1.00 0.00 H new ATOM 0 HA SER A 70 14.765 1.570 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.050 2.414 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.713 0.925 -2.196 1.00 0.00 H new ATOM 0 HG SER A 70 13.258 3.285 -1.310 1.00 0.00 H new ATOM 1124 N ARG A 71 12.317 0.330 -5.525 1.00 0.00 N ATOM 1125 CA ARG A 71 11.799 -0.877 -6.158 1.00 0.00 C ATOM 1126 C ARG A 71 12.935 -1.822 -6.539 1.00 0.00 C ATOM 1127 O ARG A 71 14.080 -1.411 -6.728 1.00 0.00 O ATOM 1128 CB ARG A 71 10.982 -0.517 -7.400 1.00 0.00 C ATOM 1129 CG ARG A 71 9.540 -0.147 -7.094 1.00 0.00 C ATOM 1130 CD ARG A 71 8.839 0.421 -8.318 1.00 0.00 C ATOM 1131 NE ARG A 71 8.828 -0.525 -9.431 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.604 -0.174 -10.692 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.375 1.095 -10.999 1.00 0.00 N ATOM 1134 NH2 ARG A 71 8.611 -1.093 -11.649 1.00 0.00 N ATOM 0 H ARG A 71 11.915 1.198 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 71 11.153 -1.384 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.462 0.318 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.993 -1.361 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.004 -1.029 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.514 0.585 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.814 0.687 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.338 1.339 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 71 9.002 -1.509 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.371 1.804 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.203 1.362 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.789 -2.070 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.439 -0.822 -12.617 1.00 0.00 H new ATOM 1148 N PRO A 72 12.613 -3.119 -6.655 1.00 0.00 N ATOM 1149 CA PRO A 72 11.253 -3.620 -6.433 1.00 0.00 C ATOM 1150 C PRO A 72 10.842 -3.548 -4.966 1.00 0.00 C ATOM 1151 O PRO A 72 11.596 -3.061 -4.123 1.00 0.00 O ATOM 1152 CB PRO A 72 11.332 -5.077 -6.895 1.00 0.00 C ATOM 1153 CG PRO A 72 12.766 -5.448 -6.735 1.00 0.00 C ATOM 1154 CD PRO A 72 13.551 -4.196 -7.013 1.00 0.00 C ATOM 0 HA PRO A 72 10.508 -3.029 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.688 -5.718 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.009 -5.182 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.964 -5.817 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.043 -6.244 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.461 -4.151 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.853 -4.135 -8.059 1.00 0.00 H new ATOM 1162 N HIS A 73 9.643 -4.037 -4.668 1.00 0.00 N ATOM 1163 CA HIS A 73 9.132 -4.029 -3.302 1.00 0.00 C ATOM 1164 C HIS A 73 8.502 -5.373 -2.949 1.00 0.00 C ATOM 1165 O HIS A 73 8.124 -6.145 -3.832 1.00 0.00 O ATOM 1166 CB HIS A 73 8.105 -2.910 -3.125 1.00 0.00 C ATOM 1167 CG HIS A 73 8.720 -1.569 -2.867 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.821 -1.017 -1.607 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.270 -0.669 -3.715 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.404 0.166 -1.692 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.687 0.400 -2.961 1.00 0.00 N ATOM 0 H HIS A 73 9.007 -4.444 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 73 9.971 -3.852 -2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.486 -2.851 -4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.443 -3.163 -2.296 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.496 -1.454 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.364 -0.772 -4.786 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.613 0.828 -0.865 1.00 0.00 H new ATOM 1180 N THR A 74 8.393 -5.649 -1.653 1.00 0.00 N ATOM 1181 CA THR A 74 7.812 -6.900 -1.184 1.00 0.00 C ATOM 1182 C THR A 74 7.282 -6.761 0.239 1.00 0.00 C ATOM 1183 O THR A 74 8.054 -6.708 1.197 1.00 0.00 O ATOM 1184 CB THR A 74 8.838 -8.048 -1.228 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.461 -8.099 -2.516 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.171 -9.382 -0.929 1.00 0.00 C ATOM 0 H THR A 74 8.700 -5.022 -0.909 1.00 0.00 H new ATOM 0 HA THR A 74 6.986 -7.136 -1.855 1.00 0.00 H new ATOM 0 HB THR A 74 9.594 -7.859 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.113 -8.830 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.915 -10.177 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.723 -9.350 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.396 -9.576 -1.671 1.00 0.00 H new ATOM 1194 N LEU A 75 5.962 -6.703 0.370 1.00 0.00 N ATOM 1195 CA LEU A 75 5.328 -6.571 1.678 1.00 0.00 C ATOM 1196 C LEU A 75 4.448 -7.780 1.981 1.00 0.00 C ATOM 1197 O LEU A 75 3.844 -8.362 1.080 1.00 0.00 O ATOM 1198 CB LEU A 75 4.494 -5.291 1.735 1.00 0.00 C ATOM 1199 CG LEU A 75 3.503 -5.187 2.895 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.241 -5.035 4.216 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.549 -4.021 2.678 1.00 0.00 C ATOM 0 H LEU A 75 5.309 -6.745 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 75 6.113 -6.519 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.174 -4.440 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.940 -5.200 0.801 1.00 0.00 H new ATOM 0 HG LEU A 75 2.919 -6.107 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.519 -4.962 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.883 -5.901 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.851 -4.132 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.851 -3.962 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.117 -3.093 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.995 -4.172 1.752 1.00 0.00 H new ATOM 1213 N ASP A 76 4.378 -8.149 3.255 1.00 0.00 N ATOM 1214 CA ASP A 76 3.568 -9.286 3.678 1.00 0.00 C ATOM 1215 C ASP A 76 4.046 -10.572 3.010 1.00 0.00 C ATOM 1216 O ASP A 76 3.241 -11.419 2.625 1.00 0.00 O ATOM 1217 CB ASP A 76 2.095 -9.042 3.347 1.00 0.00 C ATOM 1218 CG ASP A 76 1.387 -8.238 4.420 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.781 -7.075 4.646 1.00 0.00 O ATOM 1220 OD2 ASP A 76 0.439 -8.772 5.033 1.00 0.00 O ATOM 0 H ASP A 76 4.872 -7.678 4.013 1.00 0.00 H new ATOM 0 HA ASP A 76 3.676 -9.396 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.022 -8.516 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.590 -10.000 3.222 1.00 0.00 H new ATOM 1225 N GLY A 77 5.361 -10.709 2.874 1.00 0.00 N ATOM 1226 CA GLY A 77 5.923 -11.893 2.251 1.00 0.00 C ATOM 1227 C GLY A 77 5.483 -12.054 0.809 1.00 0.00 C ATOM 1228 O GLY A 77 5.672 -13.113 0.210 1.00 0.00 O ATOM 0 H GLY A 77 6.047 -10.021 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.011 -11.840 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.626 -12.775 2.819 1.00 0.00 H new ATOM 1232 N ARG A 78 4.893 -11.002 0.251 1.00 0.00 N ATOM 1233 CA ARG A 78 4.422 -11.033 -1.128 1.00 0.00 C ATOM 1234 C ARG A 78 5.090 -9.938 -1.955 1.00 0.00 C ATOM 1235 O ARG A 78 5.115 -8.774 -1.558 1.00 0.00 O ATOM 1236 CB ARG A 78 2.902 -10.865 -1.174 1.00 0.00 C ATOM 1237 CG ARG A 78 2.245 -11.583 -2.342 1.00 0.00 C ATOM 1238 CD ARG A 78 2.133 -10.679 -3.559 1.00 0.00 C ATOM 1239 NE ARG A 78 1.709 -11.412 -4.749 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.542 -12.094 -5.527 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.836 -12.136 -5.243 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.080 -12.737 -6.592 1.00 0.00 N ATOM 0 H ARG A 78 4.730 -10.118 0.733 1.00 0.00 H new ATOM 0 HA ARG A 78 4.687 -12.000 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.475 -11.238 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.664 -9.803 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.825 -12.470 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.252 -11.925 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.421 -9.880 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.096 -10.206 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 78 0.719 -11.400 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.195 -11.644 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.473 -12.661 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.085 -12.708 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.720 -13.261 -7.189 1.00 0.00 H new ATOM 1256 N ASN A 79 5.631 -10.322 -3.107 1.00 0.00 N ATOM 1257 CA ASN A 79 6.301 -9.373 -3.990 1.00 0.00 C ATOM 1258 C ASN A 79 5.307 -8.367 -4.561 1.00 0.00 C ATOM 1259 O ASN A 79 4.299 -8.745 -5.159 1.00 0.00 O ATOM 1260 CB ASN A 79 7.004 -10.114 -5.129 1.00 0.00 C ATOM 1261 CG ASN A 79 8.308 -10.750 -4.686 1.00 0.00 C ATOM 1262 OD1 ASN A 79 9.386 -10.357 -5.132 1.00 0.00 O ATOM 1263 ND2 ASN A 79 8.215 -11.739 -3.804 1.00 0.00 N ATOM 0 H ASN A 79 5.619 -11.282 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 79 7.044 -8.831 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.341 -10.885 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.201 -9.418 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.058 -12.205 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.300 -12.032 -3.461 1.00 0.00 H new ATOM 1270 N ILE A 80 5.598 -7.084 -4.373 1.00 0.00 N ATOM 1271 CA ILE A 80 4.731 -6.023 -4.871 1.00 0.00 C ATOM 1272 C ILE A 80 5.524 -4.995 -5.670 1.00 0.00 C ATOM 1273 O ILE A 80 6.756 -4.998 -5.657 1.00 0.00 O ATOM 1274 CB ILE A 80 3.999 -5.308 -3.720 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.967 -4.405 -2.953 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.361 -6.325 -2.785 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.277 -3.432 -2.023 1.00 0.00 C ATOM 0 H ILE A 80 6.427 -6.754 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 80 3.995 -6.496 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 80 3.210 -4.686 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.650 -5.027 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.572 -3.846 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.848 -5.804 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.644 -6.930 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.134 -6.970 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.024 -2.824 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.615 -2.785 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.694 -3.984 -1.286 1.00 0.00 H new ATOM 1289 N ASP A 81 4.811 -4.115 -6.364 1.00 0.00 N ATOM 1290 CA ASP A 81 5.448 -3.078 -7.168 1.00 0.00 C ATOM 1291 C ASP A 81 4.541 -1.859 -7.299 1.00 0.00 C ATOM 1292 O ASP A 81 3.495 -1.900 -7.949 1.00 0.00 O ATOM 1293 CB ASP A 81 5.799 -3.620 -8.554 1.00 0.00 C ATOM 1294 CG ASP A 81 6.998 -2.922 -9.163 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.072 -2.922 -8.525 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.864 -2.375 -10.278 1.00 0.00 O ATOM 0 H ASP A 81 3.791 -4.099 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 81 6.365 -2.774 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.002 -4.688 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.940 -3.503 -9.215 1.00 0.00 H new ATOM 1301 N PRO A 82 4.948 -0.747 -6.669 1.00 0.00 N ATOM 1302 CA PRO A 82 4.186 0.505 -6.700 1.00 0.00 C ATOM 1303 C PRO A 82 4.205 1.161 -8.076 1.00 0.00 C ATOM 1304 O PRO A 82 4.972 0.765 -8.954 1.00 0.00 O ATOM 1305 CB PRO A 82 4.908 1.385 -5.677 1.00 0.00 C ATOM 1306 CG PRO A 82 6.298 0.853 -5.634 1.00 0.00 C ATOM 1307 CD PRO A 82 6.183 -0.627 -5.876 1.00 0.00 C ATOM 0 HA PRO A 82 3.131 0.346 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.894 2.433 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.431 1.327 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.920 1.325 -6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.764 1.056 -4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.047 -1.014 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.116 -1.183 -4.941 1.00 0.00 H new ATOM 1315 N LYS A 83 3.357 2.167 -8.259 1.00 0.00 N ATOM 1316 CA LYS A 83 3.277 2.881 -9.528 1.00 0.00 C ATOM 1317 C LYS A 83 2.929 4.349 -9.305 1.00 0.00 C ATOM 1318 O LYS A 83 2.162 4.701 -8.409 1.00 0.00 O ATOM 1319 CB LYS A 83 2.233 2.230 -10.438 1.00 0.00 C ATOM 1320 CG LYS A 83 2.559 0.793 -10.807 1.00 0.00 C ATOM 1321 CD LYS A 83 3.531 0.724 -11.973 1.00 0.00 C ATOM 1322 CE LYS A 83 2.800 0.693 -13.306 1.00 0.00 C ATOM 1323 NZ LYS A 83 2.397 -0.690 -13.687 1.00 0.00 N ATOM 0 H LYS A 83 2.714 2.507 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 83 4.253 2.827 -10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.263 2.258 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.141 2.819 -11.351 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.987 0.283 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.641 0.265 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.199 1.585 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.153 -0.166 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.915 1.326 -13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.442 1.111 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.902 -0.668 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.244 -1.289 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.764 -1.080 -12.960 1.00 0.00 H new ATOM 1337 N PRO A 84 3.503 5.227 -10.141 1.00 0.00 N ATOM 1338 CA PRO A 84 3.266 6.671 -10.056 1.00 0.00 C ATOM 1339 C PRO A 84 1.849 7.052 -10.473 1.00 0.00 C ATOM 1340 O PRO A 84 1.453 8.214 -10.372 1.00 0.00 O ATOM 1341 CB PRO A 84 4.287 7.257 -11.035 1.00 0.00 C ATOM 1342 CG PRO A 84 4.549 6.160 -12.009 1.00 0.00 C ATOM 1343 CD PRO A 84 4.427 4.878 -11.233 1.00 0.00 C ATOM 0 HA PRO A 84 3.371 7.041 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.895 8.144 -11.533 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.200 7.558 -10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.833 6.188 -12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.542 6.257 -12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.033 4.071 -11.850 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.393 4.546 -10.852 1.00 0.00 H new ATOM 1351 N CYS A 85 1.091 6.067 -10.941 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.282 6.299 -11.374 1.00 0.00 C ATOM 1353 C CYS A 85 -0.315 7.010 -12.723 1.00 0.00 C ATOM 1354 O CYS A 85 -1.229 7.785 -13.008 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.035 7.125 -10.330 1.00 0.00 C ATOM 1356 SG CYS A 85 -2.814 6.803 -10.276 1.00 0.00 S ATOM 0 H CYS A 85 1.404 5.100 -11.030 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.771 5.331 -11.483 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.610 6.923 -9.347 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.874 8.183 -10.535 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.080 5.999 -9.290 1.00 0.00 H new ATOM 1362 N THR A 86 0.691 6.744 -13.551 1.00 0.00 N ATOM 1363 CA THR A 86 0.779 7.360 -14.869 1.00 0.00 C ATOM 1364 C THR A 86 0.849 6.304 -15.966 1.00 0.00 C ATOM 1365 O THR A 86 1.321 5.186 -15.756 1.00 0.00 O ATOM 1366 CB THR A 86 2.011 8.279 -14.977 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.196 7.552 -14.637 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.868 9.485 -14.061 1.00 0.00 C ATOM 0 H THR A 86 1.456 6.106 -13.332 1.00 0.00 H new ATOM 0 HA THR A 86 -0.124 7.957 -15.001 1.00 0.00 H new ATOM 0 HB THR A 86 2.085 8.631 -16.006 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.974 8.143 -14.710 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.750 10.119 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.981 10.053 -14.343 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.771 9.148 -13.029 1.00 0.00 H new ATOM 1376 N PRO A 87 0.370 6.663 -17.166 1.00 0.00 N ATOM 1377 CA PRO A 87 0.368 5.761 -18.321 1.00 0.00 C ATOM 1378 C PRO A 87 1.773 5.497 -18.852 1.00 0.00 C ATOM 1379 O PRO A 87 2.756 6.004 -18.312 1.00 0.00 O ATOM 1380 CB PRO A 87 -0.464 6.515 -19.360 1.00 0.00 C ATOM 1381 CG PRO A 87 -0.325 7.951 -18.986 1.00 0.00 C ATOM 1382 CD PRO A 87 -0.208 7.979 -17.488 1.00 0.00 C ATOM 0 HA PRO A 87 -0.030 4.778 -18.070 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.097 6.332 -20.370 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.507 6.199 -19.337 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.554 8.393 -19.454 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.188 8.527 -19.321 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.433 8.793 -17.150 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.178 8.119 -17.012 1.00 0.00 H new ATOM 1390 N ARG A 88 1.859 4.702 -19.913 1.00 0.00 N ATOM 1391 CA ARG A 88 3.144 4.371 -20.517 1.00 0.00 C ATOM 1392 C ARG A 88 3.379 5.193 -21.781 1.00 0.00 C ATOM 1393 O ARG A 88 2.898 4.846 -22.858 1.00 0.00 O ATOM 1394 CB ARG A 88 3.207 2.878 -20.848 1.00 0.00 C ATOM 1395 CG ARG A 88 4.580 2.413 -21.305 1.00 0.00 C ATOM 1396 CD ARG A 88 5.552 2.314 -20.140 1.00 0.00 C ATOM 1397 NE ARG A 88 6.056 3.624 -19.735 1.00 0.00 N ATOM 1398 CZ ARG A 88 6.585 3.871 -18.542 1.00 0.00 C ATOM 1399 NH1 ARG A 88 6.678 2.903 -17.641 1.00 0.00 N ATOM 1400 NH2 ARG A 88 7.022 5.089 -18.248 1.00 0.00 N ATOM 0 H ARG A 88 1.054 4.275 -20.372 1.00 0.00 H new ATOM 0 HA ARG A 88 3.927 4.610 -19.798 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.914 2.307 -19.967 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.479 2.657 -21.629 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.493 1.441 -21.791 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.971 3.107 -22.049 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.056 1.839 -19.294 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.389 1.674 -20.419 1.00 0.00 H new ATOM 0 HE ARG A 88 5.999 4.391 -20.405 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.343 1.966 -17.863 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.085 3.096 -16.726 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.952 5.836 -18.938 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.428 5.278 -17.332 1.00 0.00 H new ATOM 1414 N GLY A 89 4.124 6.286 -21.640 1.00 0.00 N ATOM 1415 CA GLY A 89 4.409 7.141 -22.777 1.00 0.00 C ATOM 1416 C GLY A 89 5.713 7.898 -22.621 1.00 0.00 C ATOM 1417 O GLY A 89 6.755 7.303 -22.346 1.00 0.00 O ATOM 0 H GLY A 89 4.535 6.594 -20.759 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.450 6.535 -23.682 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.593 7.852 -22.907 1.00 0.00 H new ATOM 1421 N MET A 90 5.656 9.214 -22.797 1.00 0.00 N ATOM 1422 CA MET A 90 6.843 10.053 -22.674 1.00 0.00 C ATOM 1423 C MET A 90 6.885 10.738 -21.312 1.00 0.00 C ATOM 1424 O MET A 90 6.195 11.732 -21.087 1.00 0.00 O ATOM 1425 CB MET A 90 6.869 11.102 -23.788 1.00 0.00 C ATOM 1426 CG MET A 90 8.084 12.014 -23.735 1.00 0.00 C ATOM 1427 SD MET A 90 9.524 11.300 -24.554 1.00 0.00 S ATOM 1428 CE MET A 90 9.006 11.369 -26.268 1.00 0.00 C ATOM 0 H MET A 90 4.802 9.722 -23.025 1.00 0.00 H new ATOM 0 HA MET A 90 7.721 9.414 -22.766 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.847 10.596 -24.753 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.966 11.709 -23.725 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.839 12.967 -24.204 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.330 12.225 -22.694 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.884 11.379 -26.913 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.395 10.496 -26.499 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.423 12.274 -26.436 1.00 0.00 H new ATOM 1438 N GLN A 91 7.699 10.201 -20.409 1.00 0.00 N ATOM 1439 CA GLN A 91 7.829 10.761 -19.070 1.00 0.00 C ATOM 1440 C GLN A 91 9.217 10.490 -18.499 1.00 0.00 C ATOM 1441 O GLN A 91 9.649 9.345 -18.369 1.00 0.00 O ATOM 1442 CB GLN A 91 6.760 10.178 -18.144 1.00 0.00 C ATOM 1443 CG GLN A 91 5.413 10.872 -18.256 1.00 0.00 C ATOM 1444 CD GLN A 91 5.500 12.362 -17.990 1.00 0.00 C ATOM 1445 OE1 GLN A 91 6.392 12.826 -17.280 1.00 0.00 O ATOM 1446 NE2 GLN A 91 4.572 13.121 -18.561 1.00 0.00 N ATOM 0 H GLN A 91 8.278 9.379 -20.581 1.00 0.00 H new ATOM 0 HA GLN A 91 7.689 11.840 -19.140 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.634 9.119 -18.370 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.109 10.244 -17.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.006 10.708 -19.254 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.716 10.421 -17.550 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.851 12.694 -19.142 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.581 14.131 -18.418 1.00 0.00 H new ATOM 1455 N PRO A 92 9.934 11.568 -18.149 1.00 0.00 N ATOM 1456 CA PRO A 92 11.284 11.472 -17.586 1.00 0.00 C ATOM 1457 C PRO A 92 11.284 10.893 -16.175 1.00 0.00 C ATOM 1458 O PRO A 92 10.732 11.488 -15.250 1.00 0.00 O ATOM 1459 CB PRO A 92 11.765 12.925 -17.568 1.00 0.00 C ATOM 1460 CG PRO A 92 10.517 13.736 -17.506 1.00 0.00 C ATOM 1461 CD PRO A 92 9.483 12.964 -18.276 1.00 0.00 C ATOM 0 HA PRO A 92 11.921 10.805 -18.167 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.406 13.119 -16.708 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.347 13.161 -18.459 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.202 13.888 -16.474 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.671 14.723 -17.941 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.485 13.103 -17.860 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.440 13.279 -19.319 1.00 0.00 H new ATOM 1469 N SER A 93 11.908 9.730 -16.018 1.00 0.00 N ATOM 1470 CA SER A 93 11.976 9.069 -14.720 1.00 0.00 C ATOM 1471 C SER A 93 12.977 9.769 -13.806 1.00 0.00 C ATOM 1472 O SER A 93 12.622 10.253 -12.733 1.00 0.00 O ATOM 1473 CB SER A 93 12.367 7.600 -14.892 1.00 0.00 C ATOM 1474 OG SER A 93 11.354 6.879 -15.573 1.00 0.00 O ATOM 0 H SER A 93 12.373 9.226 -16.773 1.00 0.00 H new ATOM 0 HA SER A 93 10.989 9.124 -14.260 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.302 7.532 -15.448 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.543 7.150 -13.915 1.00 0.00 H new ATOM 0 HG SER A 93 11.629 5.943 -15.672 1.00 0.00 H new ATOM 1480 N GLY A 94 14.233 9.819 -14.242 1.00 0.00 N ATOM 1481 CA GLY A 94 15.267 10.461 -13.452 1.00 0.00 C ATOM 1482 C GLY A 94 16.621 10.429 -14.132 1.00 0.00 C ATOM 1483 O GLY A 94 17.512 9.668 -13.754 1.00 0.00 O ATOM 0 H GLY A 94 14.552 9.426 -15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.984 11.496 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.339 9.967 -12.483 1.00 0.00 H new ATOM 1487 N PRO A 95 16.789 11.269 -15.164 1.00 0.00 N ATOM 1488 CA PRO A 95 18.041 11.351 -15.922 1.00 0.00 C ATOM 1489 C PRO A 95 19.173 11.969 -15.107 1.00 0.00 C ATOM 1490 O PRO A 95 20.349 11.726 -15.376 1.00 0.00 O ATOM 1491 CB PRO A 95 17.681 12.252 -17.106 1.00 0.00 C ATOM 1492 CG PRO A 95 16.541 13.079 -16.619 1.00 0.00 C ATOM 1493 CD PRO A 95 15.770 12.204 -15.670 1.00 0.00 C ATOM 0 HA PRO A 95 18.406 10.366 -16.214 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.525 12.875 -17.400 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.399 11.664 -17.980 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.898 13.979 -16.118 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.913 13.404 -17.448 1.00 0.00 H new ATOM 0 HD2 PRO A 95 15.321 12.784 -14.864 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.959 11.680 -16.176 1.00 0.00 H new ATOM 1501 N SER A 96 18.809 12.768 -14.109 1.00 0.00 N ATOM 1502 CA SER A 96 19.794 13.423 -13.256 1.00 0.00 C ATOM 1503 C SER A 96 20.702 12.397 -12.587 1.00 0.00 C ATOM 1504 O SER A 96 20.237 11.371 -12.090 1.00 0.00 O ATOM 1505 CB SER A 96 19.095 14.273 -12.193 1.00 0.00 C ATOM 1506 OG SER A 96 18.506 15.427 -12.768 1.00 0.00 O ATOM 0 H SER A 96 17.839 12.977 -13.871 1.00 0.00 H new ATOM 0 HA SER A 96 20.407 14.070 -13.883 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.328 13.680 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.814 14.570 -11.430 1.00 0.00 H new ATOM 0 HG SER A 96 18.064 15.952 -12.068 1.00 0.00 H new ATOM 1512 N SER A 97 22.000 12.681 -12.579 1.00 0.00 N ATOM 1513 CA SER A 97 22.976 11.781 -11.974 1.00 0.00 C ATOM 1514 C SER A 97 23.694 12.460 -10.812 1.00 0.00 C ATOM 1515 O SER A 97 24.909 12.340 -10.663 1.00 0.00 O ATOM 1516 CB SER A 97 23.994 11.322 -13.019 1.00 0.00 C ATOM 1517 OG SER A 97 23.382 10.512 -14.008 1.00 0.00 O ATOM 0 H SER A 97 22.401 13.527 -12.984 1.00 0.00 H new ATOM 0 HA SER A 97 22.443 10.911 -11.590 1.00 0.00 H new ATOM 0 HB2 SER A 97 24.453 12.191 -13.490 1.00 0.00 H new ATOM 0 HB3 SER A 97 24.793 10.764 -12.532 1.00 0.00 H new ATOM 0 HG SER A 97 24.054 10.233 -14.665 1.00 0.00 H new ATOM 1523 N GLY A 98 22.931 13.174 -9.989 1.00 0.00 N ATOM 1524 CA GLY A 98 23.510 13.862 -8.850 1.00 0.00 C ATOM 1525 C GLY A 98 23.263 13.132 -7.545 1.00 0.00 C ATOM 1526 O GLY A 98 24.128 13.103 -6.669 1.00 0.00 O ATOM 0 H GLY A 98 21.923 13.288 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 98 24.583 13.972 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 98 23.092 14.867 -8.785 1.00 0.00 H new TER 1530 GLY A 98