USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 69 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.2!) USER MOD Set 1.2: A 72 MET CE :methyl 168:sc= 0 (180deg=-0.171) USER MOD Set 2.1: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 CYS SG : rot 99:sc= -5.03! USER MOD Set 3.2: A 51 MET CE :methyl 138:sc= -0.338 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.836! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.181 (180deg=-0.886) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.42! X(o=-1.4!,f=-1.3) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.062 USER MOD Single : A 49 ASN :FLIP amide:sc= -1.17! C(o=-6!,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 97:sc= 0.0122 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -170:sc= -0.351 (180deg=-0.862) USER MOD Single : A 59 THR OG1 : rot 145:sc= 0.0446! USER MOD Single : A 61 MET CE :methyl -168:sc= -0.868 (180deg=-1.41) USER MOD Single : A 67 SER OG : rot -152:sc= -1.18 USER MOD Single : A 68 GLN : amide:sc= -2.37! C(o=-2.4!,f=-2.6!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.43 F(o=-2.6!,f=-1.4) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= -0.94 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -12.649 -9.634 -17.501 1.00 0.00 N ATOM 2 CA ASP A 16 -14.083 -9.379 -17.781 1.00 0.00 C ATOM 3 C ASP A 16 -14.241 -8.424 -18.957 1.00 0.00 C ATOM 4 O ASP A 16 -13.290 -7.804 -19.389 1.00 0.00 O ATOM 5 CB ASP A 16 -14.712 -8.738 -16.534 1.00 0.00 C ATOM 6 CG ASP A 16 -16.224 -8.624 -16.732 1.00 0.00 C ATOM 7 OD1 ASP A 16 -16.750 -9.498 -17.402 1.00 0.00 O ATOM 8 OD2 ASP A 16 -16.769 -7.670 -16.201 1.00 0.00 O ATOM 0 HA ASP A 16 -14.573 -10.321 -18.027 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.494 -9.340 -15.652 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.281 -7.752 -16.361 1.00 0.00 H new ATOM 13 N ARG A 17 -15.443 -8.320 -19.455 1.00 0.00 N ATOM 14 CA ARG A 17 -15.679 -7.410 -20.602 1.00 0.00 C ATOM 15 C ARG A 17 -15.665 -5.956 -20.152 1.00 0.00 C ATOM 16 O ARG A 17 -16.362 -5.582 -19.229 1.00 0.00 O ATOM 17 CB ARG A 17 -17.057 -7.732 -21.201 1.00 0.00 C ATOM 18 CG ARG A 17 -16.990 -9.087 -21.907 1.00 0.00 C ATOM 19 CD ARG A 17 -18.382 -9.454 -22.424 1.00 0.00 C ATOM 20 NE ARG A 17 -18.736 -8.545 -23.552 1.00 0.00 N ATOM 21 CZ ARG A 17 -18.231 -8.767 -24.735 1.00 0.00 C ATOM 22 NH1 ARG A 17 -17.421 -9.778 -24.897 1.00 0.00 N ATOM 23 NH2 ARG A 17 -18.555 -7.972 -25.717 1.00 0.00 N ATOM 0 H ARG A 17 -16.264 -8.823 -19.118 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.889 -7.553 -21.339 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.813 -7.754 -20.416 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.352 -6.955 -21.906 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.281 -9.045 -22.734 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.631 -9.852 -21.218 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.398 -10.492 -22.757 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.117 -9.365 -21.624 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.366 -7.758 -23.401 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.192 -10.380 -24.106 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.017 -9.966 -25.815 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.193 -7.193 -25.553 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.171 -8.129 -26.649 1.00 0.00 H new ATOM 37 N SER A 18 -14.870 -5.161 -20.811 1.00 0.00 N ATOM 38 CA SER A 18 -14.796 -3.729 -20.436 1.00 0.00 C ATOM 39 C SER A 18 -14.193 -3.564 -19.049 1.00 0.00 C ATOM 40 O SER A 18 -13.922 -2.462 -18.613 1.00 0.00 O ATOM 41 CB SER A 18 -16.220 -3.156 -20.425 1.00 0.00 C ATOM 42 OG SER A 18 -16.932 -3.977 -21.339 1.00 0.00 O ATOM 0 H SER A 18 -14.273 -5.442 -21.588 1.00 0.00 H new ATOM 0 HA SER A 18 -14.167 -3.205 -21.156 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.658 -3.197 -19.428 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.231 -2.111 -20.736 1.00 0.00 H new ATOM 0 HG SER A 18 -17.863 -3.677 -21.391 1.00 0.00 H new ATOM 48 N LEU A 19 -13.994 -4.664 -18.376 1.00 0.00 N ATOM 49 CA LEU A 19 -13.409 -4.586 -17.017 1.00 0.00 C ATOM 50 C LEU A 19 -14.135 -3.544 -16.177 1.00 0.00 C ATOM 51 O LEU A 19 -15.329 -3.360 -16.308 1.00 0.00 O ATOM 52 CB LEU A 19 -11.937 -4.176 -17.153 1.00 0.00 C ATOM 53 CG LEU A 19 -11.253 -5.101 -18.161 1.00 0.00 C ATOM 54 CD1 LEU A 19 -9.943 -4.460 -18.626 1.00 0.00 C ATOM 55 CD2 LEU A 19 -10.947 -6.441 -17.489 1.00 0.00 C ATOM 0 H LEU A 19 -14.210 -5.604 -18.708 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.504 -5.555 -16.527 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.864 -3.140 -17.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.438 -4.238 -16.186 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.909 -5.260 -19.017 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.452 -5.116 -19.345 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.155 -3.500 -19.097 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.288 -4.307 -17.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.459 -7.104 -18.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.287 -6.278 -16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.876 -6.897 -17.147 1.00 0.00 H new ATOM 67 N ARG A 20 -13.401 -2.880 -15.325 1.00 0.00 N ATOM 68 CA ARG A 20 -14.033 -1.847 -14.468 1.00 0.00 C ATOM 69 C ARG A 20 -13.030 -0.710 -14.158 1.00 0.00 C ATOM 70 O ARG A 20 -11.972 -0.958 -13.616 1.00 0.00 O ATOM 71 CB ARG A 20 -14.441 -2.516 -13.146 1.00 0.00 C ATOM 72 CG ARG A 20 -15.790 -3.214 -13.333 1.00 0.00 C ATOM 73 CD ARG A 20 -16.252 -3.780 -11.990 1.00 0.00 C ATOM 74 NE ARG A 20 -17.659 -4.254 -12.121 1.00 0.00 N ATOM 75 CZ ARG A 20 -18.633 -3.496 -11.697 1.00 0.00 C ATOM 76 NH1 ARG A 20 -19.163 -2.633 -12.519 1.00 0.00 N ATOM 77 NH2 ARG A 20 -19.044 -3.628 -10.465 1.00 0.00 N ATOM 0 H ARG A 20 -12.398 -3.010 -15.189 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.895 -1.424 -14.983 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.683 -3.238 -12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.510 -1.771 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.528 -2.510 -13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.700 -4.014 -14.067 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.605 -4.602 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.183 -3.016 -11.216 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.859 -5.163 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.815 -2.559 -13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.925 -2.032 -12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.605 -4.315 -9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.804 -3.044 -10.116 1.00 0.00 H new ATOM 91 N PRO A 21 -13.384 0.529 -14.510 1.00 0.00 N ATOM 92 CA PRO A 21 -12.501 1.670 -14.259 1.00 0.00 C ATOM 93 C PRO A 21 -12.242 1.870 -12.765 1.00 0.00 C ATOM 94 O PRO A 21 -11.328 2.573 -12.382 1.00 0.00 O ATOM 95 CB PRO A 21 -13.261 2.894 -14.817 1.00 0.00 C ATOM 96 CG PRO A 21 -14.624 2.382 -15.376 1.00 0.00 C ATOM 97 CD PRO A 21 -14.659 0.859 -15.171 1.00 0.00 C ATOM 0 HA PRO A 21 -11.528 1.519 -14.726 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.421 3.636 -14.034 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.682 3.380 -15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.456 2.859 -14.857 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.723 2.630 -16.433 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.509 0.564 -14.556 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.756 0.336 -16.122 1.00 0.00 H new ATOM 105 N GLU A 22 -13.048 1.249 -11.949 1.00 0.00 N ATOM 106 CA GLU A 22 -12.856 1.397 -10.485 1.00 0.00 C ATOM 107 C GLU A 22 -11.505 0.838 -10.062 1.00 0.00 C ATOM 108 O GLU A 22 -10.641 1.562 -9.604 1.00 0.00 O ATOM 109 CB GLU A 22 -13.962 0.608 -9.771 1.00 0.00 C ATOM 110 CG GLU A 22 -15.291 1.346 -9.938 1.00 0.00 C ATOM 111 CD GLU A 22 -16.007 0.825 -11.185 1.00 0.00 C ATOM 112 OE1 GLU A 22 -16.566 -0.254 -11.077 1.00 0.00 O ATOM 113 OE2 GLU A 22 -15.955 1.536 -12.175 1.00 0.00 O ATOM 0 H GLU A 22 -13.824 0.651 -12.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.897 2.454 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.035 -0.397 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.723 0.499 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.916 1.197 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.116 2.418 -10.027 1.00 0.00 H new ATOM 120 N GLU A 23 -11.348 -0.442 -10.225 1.00 0.00 N ATOM 121 CA GLU A 23 -10.066 -1.075 -9.841 1.00 0.00 C ATOM 122 C GLU A 23 -8.887 -0.267 -10.363 1.00 0.00 C ATOM 123 O GLU A 23 -7.888 -0.113 -9.688 1.00 0.00 O ATOM 124 CB GLU A 23 -10.018 -2.477 -10.462 1.00 0.00 C ATOM 125 CG GLU A 23 -11.137 -3.327 -9.861 1.00 0.00 C ATOM 126 CD GLU A 23 -10.871 -4.802 -10.168 1.00 0.00 C ATOM 127 OE1 GLU A 23 -9.739 -5.204 -9.953 1.00 0.00 O ATOM 128 OE2 GLU A 23 -11.814 -5.443 -10.601 1.00 0.00 O ATOM 0 H GLU A 23 -12.051 -1.074 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.001 -1.123 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.133 -2.413 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.050 -2.940 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.189 -3.171 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.100 -3.026 -10.273 1.00 0.00 H new ATOM 135 N ILE A 24 -9.021 0.237 -11.560 1.00 0.00 N ATOM 136 CA ILE A 24 -7.916 1.036 -12.139 1.00 0.00 C ATOM 137 C ILE A 24 -7.605 2.238 -11.261 1.00 0.00 C ATOM 138 O ILE A 24 -6.458 2.599 -11.080 1.00 0.00 O ATOM 139 CB ILE A 24 -8.350 1.538 -13.515 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.674 0.355 -14.421 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.188 2.337 -14.133 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.377 -0.216 -15.007 1.00 0.00 C ATOM 0 H ILE A 24 -9.843 0.129 -12.154 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.026 0.411 -12.212 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.236 2.165 -13.413 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.199 -0.415 -13.856 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.339 0.671 -15.224 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.481 2.703 -15.117 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.944 3.182 -13.489 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.315 1.692 -14.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.611 -1.061 -15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.869 0.555 -15.587 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.727 -0.548 -14.197 1.00 0.00 H new ATOM 154 N GLU A 25 -8.632 2.838 -10.728 1.00 0.00 N ATOM 155 CA GLU A 25 -8.413 4.016 -9.861 1.00 0.00 C ATOM 156 C GLU A 25 -7.599 3.636 -8.633 1.00 0.00 C ATOM 157 O GLU A 25 -6.685 4.339 -8.252 1.00 0.00 O ATOM 158 CB GLU A 25 -9.787 4.548 -9.408 1.00 0.00 C ATOM 159 CG GLU A 25 -9.921 6.017 -9.821 1.00 0.00 C ATOM 160 CD GLU A 25 -9.149 6.893 -8.832 1.00 0.00 C ATOM 161 OE1 GLU A 25 -9.120 6.505 -7.676 1.00 0.00 O ATOM 162 OE2 GLU A 25 -8.630 7.898 -9.289 1.00 0.00 O ATOM 0 H GLU A 25 -9.605 2.562 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.866 4.776 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.585 3.957 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.889 4.451 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.534 6.160 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.971 6.307 -9.839 1.00 0.00 H new ATOM 169 N GLU A 26 -7.942 2.530 -8.032 1.00 0.00 N ATOM 170 CA GLU A 26 -7.188 2.102 -6.830 1.00 0.00 C ATOM 171 C GLU A 26 -5.715 1.929 -7.166 1.00 0.00 C ATOM 172 O GLU A 26 -4.853 2.252 -6.375 1.00 0.00 O ATOM 173 CB GLU A 26 -7.754 0.758 -6.346 1.00 0.00 C ATOM 174 CG GLU A 26 -9.121 0.993 -5.696 1.00 0.00 C ATOM 175 CD GLU A 26 -8.922 1.448 -4.248 1.00 0.00 C ATOM 176 OE1 GLU A 26 -8.470 0.618 -3.477 1.00 0.00 O ATOM 177 OE2 GLU A 26 -9.234 2.600 -3.996 1.00 0.00 O ATOM 0 H GLU A 26 -8.702 1.914 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.287 2.860 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.850 0.067 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.072 0.299 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.676 1.747 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.712 0.077 -5.724 1.00 0.00 H new ATOM 184 N LEU A 27 -5.449 1.420 -8.339 1.00 0.00 N ATOM 185 CA LEU A 27 -4.036 1.223 -8.739 1.00 0.00 C ATOM 186 C LEU A 27 -3.316 2.556 -8.746 1.00 0.00 C ATOM 187 O LEU A 27 -2.329 2.743 -8.066 1.00 0.00 O ATOM 188 CB LEU A 27 -4.005 0.659 -10.172 1.00 0.00 C ATOM 189 CG LEU A 27 -3.677 -0.835 -10.146 1.00 0.00 C ATOM 190 CD1 LEU A 27 -4.006 -1.424 -11.513 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.181 -1.031 -9.871 1.00 0.00 C ATOM 0 H LEU A 27 -6.145 1.136 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.553 0.542 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.970 0.818 -10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.261 1.192 -10.764 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.257 -1.327 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.779 -2.490 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.065 -1.279 -11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.410 -0.925 -12.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.951 -2.096 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.600 -0.547 -10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.927 -0.589 -8.908 1.00 0.00 H new ATOM 203 N ARG A 28 -3.836 3.463 -9.526 1.00 0.00 N ATOM 204 CA ARG A 28 -3.210 4.803 -9.608 1.00 0.00 C ATOM 205 C ARG A 28 -2.966 5.382 -8.229 1.00 0.00 C ATOM 206 O ARG A 28 -1.894 5.877 -7.948 1.00 0.00 O ATOM 207 CB ARG A 28 -4.156 5.736 -10.376 1.00 0.00 C ATOM 208 CG ARG A 28 -3.606 7.165 -10.318 1.00 0.00 C ATOM 209 CD ARG A 28 -4.488 8.006 -9.394 1.00 0.00 C ATOM 210 NE ARG A 28 -3.952 9.394 -9.343 1.00 0.00 N ATOM 211 CZ ARG A 28 -4.706 10.386 -9.728 1.00 0.00 C ATOM 212 NH1 ARG A 28 -5.172 10.386 -10.947 1.00 0.00 N ATOM 213 NH2 ARG A 28 -4.972 11.342 -8.882 1.00 0.00 N ATOM 0 H ARG A 28 -4.664 3.331 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.250 4.710 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.247 5.410 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.155 5.700 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.579 7.158 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.586 7.601 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.516 8.012 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.506 7.573 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.004 9.568 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.945 9.619 -11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.763 11.153 -11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.592 11.306 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.560 12.126 -9.166 1.00 0.00 H new ATOM 227 N GLU A 29 -3.954 5.310 -7.384 1.00 0.00 N ATOM 228 CA GLU A 29 -3.765 5.861 -6.028 1.00 0.00 C ATOM 229 C GLU A 29 -2.511 5.286 -5.395 1.00 0.00 C ATOM 230 O GLU A 29 -1.703 6.010 -4.852 1.00 0.00 O ATOM 231 CB GLU A 29 -4.986 5.488 -5.169 1.00 0.00 C ATOM 232 CG GLU A 29 -6.112 6.493 -5.438 1.00 0.00 C ATOM 233 CD GLU A 29 -7.228 6.290 -4.411 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.285 5.192 -3.883 1.00 0.00 O ATOM 235 OE2 GLU A 29 -7.962 7.246 -4.212 1.00 0.00 O ATOM 0 H GLU A 29 -4.868 4.899 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.661 6.944 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.319 4.478 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.719 5.496 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.728 7.511 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.502 6.358 -6.447 1.00 0.00 H new ATOM 242 N ALA A 30 -2.361 3.998 -5.477 1.00 0.00 N ATOM 243 CA ALA A 30 -1.159 3.380 -4.883 1.00 0.00 C ATOM 244 C ALA A 30 0.098 3.885 -5.583 1.00 0.00 C ATOM 245 O ALA A 30 0.969 4.454 -4.960 1.00 0.00 O ATOM 246 CB ALA A 30 -1.259 1.857 -5.055 1.00 0.00 C ATOM 0 H ALA A 30 -3.014 3.355 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.099 3.642 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.378 1.383 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.153 1.492 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.317 1.614 -6.116 1.00 0.00 H new ATOM 252 N PHE A 31 0.165 3.680 -6.875 1.00 0.00 N ATOM 253 CA PHE A 31 1.363 4.147 -7.625 1.00 0.00 C ATOM 254 C PHE A 31 1.679 5.576 -7.257 1.00 0.00 C ATOM 255 O PHE A 31 2.823 5.983 -7.236 1.00 0.00 O ATOM 256 CB PHE A 31 1.039 4.095 -9.126 1.00 0.00 C ATOM 257 CG PHE A 31 2.289 4.443 -9.947 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.647 5.762 -10.166 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.058 3.439 -10.504 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.756 6.065 -10.933 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.164 3.745 -11.269 1.00 0.00 C ATOM 262 CZ PHE A 31 4.510 5.056 -11.484 1.00 0.00 C ATOM 0 H PHE A 31 -0.550 3.215 -7.434 1.00 0.00 H new ATOM 0 HA PHE A 31 2.216 3.513 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.683 3.101 -9.395 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.236 4.795 -9.357 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.057 6.558 -9.736 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.791 2.406 -10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.031 7.096 -11.100 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.758 2.953 -11.699 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.374 5.295 -12.086 1.00 0.00 H new ATOM 272 N ARG A 32 0.653 6.313 -6.959 1.00 0.00 N ATOM 273 CA ARG A 32 0.862 7.740 -6.585 1.00 0.00 C ATOM 274 C ARG A 32 1.282 7.875 -5.132 1.00 0.00 C ATOM 275 O ARG A 32 2.349 8.374 -4.841 1.00 0.00 O ATOM 276 CB ARG A 32 -0.450 8.488 -6.775 1.00 0.00 C ATOM 277 CG ARG A 32 -0.153 9.951 -7.116 1.00 0.00 C ATOM 278 CD ARG A 32 -1.242 10.839 -6.511 1.00 0.00 C ATOM 279 NE ARG A 32 -1.384 12.065 -7.345 1.00 0.00 N ATOM 280 CZ ARG A 32 -0.327 12.585 -7.902 1.00 0.00 C ATOM 281 NH1 ARG A 32 0.767 12.695 -7.199 1.00 0.00 N ATOM 282 NH2 ARG A 32 -0.396 12.976 -9.145 1.00 0.00 N ATOM 0 H ARG A 32 -0.316 5.996 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 32 1.650 8.150 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.032 8.027 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.051 8.429 -5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.824 10.237 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.117 10.085 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.188 10.300 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.983 11.108 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.300 12.493 -7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.785 12.376 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.604 13.100 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.268 12.872 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.422 13.385 -9.597 1.00 0.00 H new ATOM 296 N GLU A 33 0.433 7.448 -4.238 1.00 0.00 N ATOM 297 CA GLU A 33 0.791 7.554 -2.806 1.00 0.00 C ATOM 298 C GLU A 33 2.200 7.057 -2.596 1.00 0.00 C ATOM 299 O GLU A 33 2.843 7.380 -1.617 1.00 0.00 O ATOM 300 CB GLU A 33 -0.177 6.690 -1.997 1.00 0.00 C ATOM 301 CG GLU A 33 -1.563 7.315 -2.088 1.00 0.00 C ATOM 302 CD GLU A 33 -2.613 6.312 -1.607 1.00 0.00 C ATOM 303 OE1 GLU A 33 -2.194 5.243 -1.199 1.00 0.00 O ATOM 304 OE2 GLU A 33 -3.777 6.673 -1.676 1.00 0.00 O ATOM 0 H GLU A 33 -0.479 7.037 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 33 0.728 8.593 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.193 5.672 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.145 6.630 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.605 8.220 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.772 7.611 -3.116 1.00 0.00 H new ATOM 311 N PHE A 34 2.654 6.274 -3.529 1.00 0.00 N ATOM 312 CA PHE A 34 4.022 5.731 -3.427 1.00 0.00 C ATOM 313 C PHE A 34 4.987 6.584 -4.220 1.00 0.00 C ATOM 314 O PHE A 34 6.174 6.572 -3.970 1.00 0.00 O ATOM 315 CB PHE A 34 4.038 4.312 -4.003 1.00 0.00 C ATOM 316 CG PHE A 34 3.729 3.321 -2.886 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.599 3.174 -1.819 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.576 2.561 -2.921 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.317 2.282 -0.806 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.296 1.670 -1.907 1.00 0.00 C ATOM 321 CZ PHE A 34 3.167 1.531 -0.851 1.00 0.00 C ATOM 0 H PHE A 34 2.132 5.989 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 34 4.323 5.725 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.302 4.221 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.012 4.094 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.504 3.762 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.889 2.666 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.000 2.173 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.392 1.080 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.947 0.832 -0.058 1.00 0.00 H new ATOM 331 N ASP A 35 4.464 7.311 -5.180 1.00 0.00 N ATOM 332 CA ASP A 35 5.353 8.171 -5.994 1.00 0.00 C ATOM 333 C ASP A 35 5.941 9.293 -5.142 1.00 0.00 C ATOM 334 O ASP A 35 6.081 10.412 -5.594 1.00 0.00 O ATOM 335 CB ASP A 35 4.525 8.794 -7.129 1.00 0.00 C ATOM 336 CG ASP A 35 5.468 9.323 -8.206 1.00 0.00 C ATOM 337 OD1 ASP A 35 5.845 8.515 -9.039 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.761 10.503 -8.136 1.00 0.00 O ATOM 0 H ASP A 35 3.474 7.340 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 35 6.168 7.567 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.850 8.051 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.906 9.603 -6.742 1.00 0.00 H new ATOM 343 N LYS A 36 6.276 8.969 -3.920 1.00 0.00 N ATOM 344 CA LYS A 36 6.855 9.999 -3.020 1.00 0.00 C ATOM 345 C LYS A 36 8.236 10.425 -3.501 1.00 0.00 C ATOM 346 O LYS A 36 8.841 11.319 -2.945 1.00 0.00 O ATOM 347 CB LYS A 36 6.991 9.397 -1.611 1.00 0.00 C ATOM 348 CG LYS A 36 5.719 8.614 -1.267 1.00 0.00 C ATOM 349 CD LYS A 36 5.932 7.856 0.049 1.00 0.00 C ATOM 350 CE LYS A 36 5.980 8.857 1.206 1.00 0.00 C ATOM 351 NZ LYS A 36 5.968 8.144 2.513 1.00 0.00 N ATOM 0 H LYS A 36 6.173 8.040 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 36 6.200 10.870 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.859 8.739 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.153 10.189 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.873 9.295 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.480 7.915 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.125 7.141 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.860 7.285 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.878 9.470 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.127 9.533 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.001 8.838 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.099 7.578 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.796 7.517 2.574 1.00 0.00 H new ATOM 365 N ASP A 37 8.713 9.775 -4.526 1.00 0.00 N ATOM 366 CA ASP A 37 10.054 10.133 -5.053 1.00 0.00 C ATOM 367 C ASP A 37 9.979 11.378 -5.931 1.00 0.00 C ATOM 368 O ASP A 37 10.961 12.067 -6.117 1.00 0.00 O ATOM 369 CB ASP A 37 10.580 8.957 -5.893 1.00 0.00 C ATOM 370 CG ASP A 37 9.458 8.430 -6.791 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.365 8.288 -6.268 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.758 8.195 -7.950 1.00 0.00 O ATOM 0 H ASP A 37 8.235 9.019 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 37 10.720 10.340 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.426 9.280 -6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.941 8.163 -5.240 1.00 0.00 H new ATOM 377 N LYS A 38 8.812 11.640 -6.457 1.00 0.00 N ATOM 378 CA LYS A 38 8.645 12.835 -7.325 1.00 0.00 C ATOM 379 C LYS A 38 9.526 12.747 -8.577 1.00 0.00 C ATOM 380 O LYS A 38 10.525 13.431 -8.689 1.00 0.00 O ATOM 381 CB LYS A 38 9.045 14.081 -6.505 1.00 0.00 C ATOM 382 CG LYS A 38 8.364 15.318 -7.095 1.00 0.00 C ATOM 383 CD LYS A 38 8.400 16.449 -6.063 1.00 0.00 C ATOM 384 CE LYS A 38 7.322 17.475 -6.410 1.00 0.00 C ATOM 385 NZ LYS A 38 5.964 16.875 -6.271 1.00 0.00 N ATOM 0 H LYS A 38 7.971 11.078 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 38 7.607 12.895 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.752 13.953 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.128 14.207 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.871 15.627 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.333 15.087 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.232 16.051 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.382 16.922 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.412 18.341 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.466 17.831 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.280 17.618 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.685 16.435 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.978 16.153 -5.523 1.00 0.00 H new ATOM 399 N ASP A 39 9.134 11.906 -9.501 1.00 0.00 N ATOM 400 CA ASP A 39 9.936 11.765 -10.746 1.00 0.00 C ATOM 401 C ASP A 39 9.069 11.297 -11.913 1.00 0.00 C ATOM 402 O ASP A 39 9.399 11.528 -13.061 1.00 0.00 O ATOM 403 CB ASP A 39 11.035 10.721 -10.503 1.00 0.00 C ATOM 404 CG ASP A 39 11.813 11.087 -9.241 1.00 0.00 C ATOM 405 OD1 ASP A 39 11.276 10.823 -8.178 1.00 0.00 O ATOM 406 OD2 ASP A 39 12.904 11.610 -9.409 1.00 0.00 O ATOM 0 H ASP A 39 8.302 11.318 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 39 10.362 12.736 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.593 9.730 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.708 10.680 -11.359 1.00 0.00 H new ATOM 411 N GLY A 40 7.976 10.644 -11.596 1.00 0.00 N ATOM 412 CA GLY A 40 7.065 10.147 -12.679 1.00 0.00 C ATOM 413 C GLY A 40 7.185 8.624 -12.827 1.00 0.00 C ATOM 414 O GLY A 40 6.462 8.013 -13.589 1.00 0.00 O ATOM 0 H GLY A 40 7.676 10.435 -10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.034 10.415 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.315 10.631 -13.623 1.00 0.00 H new ATOM 418 N TYR A 41 8.097 8.046 -12.094 1.00 0.00 N ATOM 419 CA TYR A 41 8.277 6.574 -12.180 1.00 0.00 C ATOM 420 C TYR A 41 8.754 6.015 -10.847 1.00 0.00 C ATOM 421 O TYR A 41 9.351 6.725 -10.064 1.00 0.00 O ATOM 422 CB TYR A 41 9.339 6.276 -13.248 1.00 0.00 C ATOM 423 CG TYR A 41 9.120 7.196 -14.450 1.00 0.00 C ATOM 424 CD1 TYR A 41 9.575 8.498 -14.424 1.00 0.00 C ATOM 425 CD2 TYR A 41 8.469 6.737 -15.575 1.00 0.00 C ATOM 426 CE1 TYR A 41 9.382 9.328 -15.510 1.00 0.00 C ATOM 427 CE2 TYR A 41 8.276 7.566 -16.660 1.00 0.00 C ATOM 428 CZ TYR A 41 8.731 8.868 -16.636 1.00 0.00 C ATOM 429 OH TYR A 41 8.538 9.699 -17.720 1.00 0.00 O ATOM 0 H TYR A 41 8.720 8.527 -11.445 1.00 0.00 H new ATOM 0 HA TYR A 41 7.324 6.111 -12.437 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.337 6.427 -12.837 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.277 5.233 -13.558 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.086 8.870 -13.548 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.107 5.720 -15.607 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.743 10.345 -15.478 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.765 7.193 -17.535 1.00 0.00 H new ATOM 0 HH TYR A 41 8.064 9.212 -18.425 1.00 0.00 H new ATOM 439 N ILE A 42 8.482 4.743 -10.611 1.00 0.00 N ATOM 440 CA ILE A 42 8.923 4.126 -9.318 1.00 0.00 C ATOM 441 C ILE A 42 10.040 3.122 -9.543 1.00 0.00 C ATOM 442 O ILE A 42 10.209 2.607 -10.631 1.00 0.00 O ATOM 443 CB ILE A 42 7.743 3.398 -8.669 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.730 2.993 -9.717 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.064 4.353 -7.673 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.551 2.308 -9.021 1.00 0.00 C ATOM 0 H ILE A 42 7.983 4.121 -11.247 1.00 0.00 H new ATOM 0 HA ILE A 42 9.286 4.925 -8.671 1.00 0.00 H new ATOM 0 HB ILE A 42 8.110 2.505 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.387 3.868 -10.269 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.185 2.318 -10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.221 3.848 -7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.781 4.651 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.708 5.237 -8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.812 2.010 -9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.906 1.425 -8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.095 3.000 -8.313 1.00 0.00 H new ATOM 458 N ASN A 43 10.789 2.862 -8.503 1.00 0.00 N ATOM 459 CA ASN A 43 11.905 1.894 -8.628 1.00 0.00 C ATOM 460 C ASN A 43 11.466 0.504 -8.180 1.00 0.00 C ATOM 461 O ASN A 43 10.495 0.354 -7.466 1.00 0.00 O ATOM 462 CB ASN A 43 13.059 2.360 -7.725 1.00 0.00 C ATOM 463 CG ASN A 43 14.383 1.854 -8.296 1.00 0.00 C ATOM 464 OD1 ASN A 43 15.147 1.187 -7.626 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.693 2.146 -9.529 1.00 0.00 N ATOM 0 H ASN A 43 10.673 3.279 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 43 12.218 1.846 -9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.069 3.448 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.919 1.983 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.572 1.815 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.056 2.705 -10.096 1.00 0.00 H new ATOM 472 N CYS A 44 12.192 -0.488 -8.609 1.00 0.00 N ATOM 473 CA CYS A 44 11.836 -1.876 -8.222 1.00 0.00 C ATOM 474 C CYS A 44 11.832 -2.043 -6.702 1.00 0.00 C ATOM 475 O CYS A 44 11.243 -2.969 -6.182 1.00 0.00 O ATOM 476 CB CYS A 44 12.892 -2.819 -8.816 1.00 0.00 C ATOM 477 SG CYS A 44 14.628 -2.344 -8.630 1.00 0.00 S ATOM 0 H CYS A 44 13.013 -0.397 -9.208 1.00 0.00 H new ATOM 0 HA CYS A 44 10.838 -2.104 -8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.761 -3.801 -8.362 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.685 -2.930 -9.880 1.00 0.00 H new ATOM 0 HG CYS A 44 15.386 -3.245 -9.182 1.00 0.00 H new ATOM 483 N ARG A 45 12.489 -1.146 -6.021 1.00 0.00 N ATOM 484 CA ARG A 45 12.532 -1.239 -4.537 1.00 0.00 C ATOM 485 C ARG A 45 11.238 -0.744 -3.915 1.00 0.00 C ATOM 486 O ARG A 45 10.882 -1.136 -2.823 1.00 0.00 O ATOM 487 CB ARG A 45 13.688 -0.358 -4.034 1.00 0.00 C ATOM 488 CG ARG A 45 14.060 -0.771 -2.607 1.00 0.00 C ATOM 489 CD ARG A 45 15.168 -1.828 -2.663 1.00 0.00 C ATOM 490 NE ARG A 45 15.750 -1.997 -1.303 1.00 0.00 N ATOM 491 CZ ARG A 45 16.858 -2.671 -1.162 1.00 0.00 C ATOM 492 NH1 ARG A 45 17.605 -2.883 -2.212 1.00 0.00 N ATOM 493 NH2 ARG A 45 17.183 -3.113 0.022 1.00 0.00 N ATOM 0 H ARG A 45 12.995 -0.358 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 45 12.672 -2.282 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.551 -0.462 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.396 0.692 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.397 0.097 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.186 -1.169 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.766 -2.776 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.942 -1.524 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 45 15.287 -1.590 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.319 -2.524 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.475 -3.408 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.574 -2.930 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.046 -3.642 0.150 1.00 0.00 H new ATOM 507 N ASP A 46 10.555 0.108 -4.616 1.00 0.00 N ATOM 508 CA ASP A 46 9.288 0.633 -4.074 1.00 0.00 C ATOM 509 C ASP A 46 8.135 -0.321 -4.349 1.00 0.00 C ATOM 510 O ASP A 46 7.310 -0.558 -3.493 1.00 0.00 O ATOM 511 CB ASP A 46 8.993 1.977 -4.753 1.00 0.00 C ATOM 512 CG ASP A 46 9.920 3.050 -4.176 1.00 0.00 C ATOM 513 OD1 ASP A 46 9.694 3.400 -3.028 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.801 3.458 -4.914 1.00 0.00 O ATOM 0 H ASP A 46 10.820 0.460 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 46 9.387 0.750 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.140 1.894 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.951 2.257 -4.595 1.00 0.00 H new ATOM 519 N LEU A 47 8.090 -0.853 -5.537 1.00 0.00 N ATOM 520 CA LEU A 47 6.991 -1.784 -5.857 1.00 0.00 C ATOM 521 C LEU A 47 6.913 -2.934 -4.880 1.00 0.00 C ATOM 522 O LEU A 47 5.846 -3.226 -4.375 1.00 0.00 O ATOM 523 CB LEU A 47 7.182 -2.314 -7.268 1.00 0.00 C ATOM 524 CG LEU A 47 6.516 -1.329 -8.221 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.443 -0.131 -8.414 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.248 -2.005 -9.543 1.00 0.00 C ATOM 0 H LEU A 47 8.760 -0.683 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 47 6.052 -1.235 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.242 -2.414 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.739 -3.305 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 47 5.566 -0.989 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.978 0.583 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.622 0.349 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.391 -0.468 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.772 -1.299 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.189 -2.346 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.589 -2.860 -9.388 1.00 0.00 H new ATOM 538 N GLY A 48 8.020 -3.591 -4.635 1.00 0.00 N ATOM 539 CA GLY A 48 7.972 -4.724 -3.676 1.00 0.00 C ATOM 540 C GLY A 48 7.149 -4.297 -2.470 1.00 0.00 C ATOM 541 O GLY A 48 6.458 -5.093 -1.859 1.00 0.00 O ATOM 0 H GLY A 48 8.931 -3.395 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.528 -5.601 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.980 -5.003 -3.368 1.00 0.00 H new ATOM 545 N ASN A 49 7.241 -3.029 -2.156 1.00 0.00 N ATOM 546 CA ASN A 49 6.480 -2.509 -1.004 1.00 0.00 C ATOM 547 C ASN A 49 5.083 -2.097 -1.459 1.00 0.00 C ATOM 548 O ASN A 49 4.125 -2.233 -0.727 1.00 0.00 O ATOM 549 CB ASN A 49 7.209 -1.279 -0.443 1.00 0.00 C ATOM 550 CG ASN A 49 8.671 -1.640 -0.171 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.106 -2.824 -0.509 1.00 0.00 O flip ATOM 552 ND2 ASN A 49 9.429 -0.849 0.352 1.00 0.00 N flip ATOM 0 H ASN A 49 7.810 -2.342 -2.651 1.00 0.00 H new ATOM 0 HA ASN A 49 6.400 -3.280 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.152 -0.453 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.728 -0.944 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.095 0.077 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.400 -1.111 0.525 1.00 0.00 H new ATOM 559 N CYS A 50 4.992 -1.602 -2.678 1.00 0.00 N ATOM 560 CA CYS A 50 3.665 -1.180 -3.194 1.00 0.00 C ATOM 561 C CYS A 50 2.807 -2.403 -3.445 1.00 0.00 C ATOM 562 O CYS A 50 1.611 -2.396 -3.223 1.00 0.00 O ATOM 563 CB CYS A 50 3.873 -0.444 -4.537 1.00 0.00 C ATOM 564 SG CYS A 50 3.608 -1.404 -6.047 1.00 0.00 S ATOM 0 H CYS A 50 5.774 -1.478 -3.321 1.00 0.00 H new ATOM 0 HA CYS A 50 3.177 -0.530 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.203 0.416 -4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.891 -0.055 -4.557 1.00 0.00 H new ATOM 0 HG CYS A 50 2.421 -1.156 -6.516 1.00 0.00 H new ATOM 570 N MET A 51 3.444 -3.434 -3.904 1.00 0.00 N ATOM 571 CA MET A 51 2.718 -4.686 -4.189 1.00 0.00 C ATOM 572 C MET A 51 2.285 -5.365 -2.895 1.00 0.00 C ATOM 573 O MET A 51 1.141 -5.741 -2.739 1.00 0.00 O ATOM 574 CB MET A 51 3.680 -5.607 -4.929 1.00 0.00 C ATOM 575 CG MET A 51 3.772 -5.162 -6.391 1.00 0.00 C ATOM 576 SD MET A 51 2.260 -5.241 -7.381 1.00 0.00 S ATOM 577 CE MET A 51 2.502 -3.693 -8.287 1.00 0.00 C ATOM 0 H MET A 51 4.446 -3.461 -4.095 1.00 0.00 H new ATOM 0 HA MET A 51 1.827 -4.472 -4.780 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.665 -5.575 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.333 -6.639 -4.871 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.133 -4.134 -6.408 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.529 -5.773 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.234 -3.838 -9.334 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.871 -2.916 -7.855 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.547 -3.391 -8.219 1.00 0.00 H new ATOM 587 N ARG A 52 3.214 -5.509 -1.988 1.00 0.00 N ATOM 588 CA ARG A 52 2.880 -6.160 -0.700 1.00 0.00 C ATOM 589 C ARG A 52 1.871 -5.323 0.079 1.00 0.00 C ATOM 590 O ARG A 52 1.215 -5.815 0.975 1.00 0.00 O ATOM 591 CB ARG A 52 4.169 -6.281 0.128 1.00 0.00 C ATOM 592 CG ARG A 52 4.013 -7.413 1.150 1.00 0.00 C ATOM 593 CD ARG A 52 5.394 -7.791 1.697 1.00 0.00 C ATOM 594 NE ARG A 52 5.735 -6.881 2.827 1.00 0.00 N ATOM 595 CZ ARG A 52 6.800 -6.133 2.747 1.00 0.00 C ATOM 596 NH1 ARG A 52 7.975 -6.695 2.841 1.00 0.00 N ATOM 597 NH2 ARG A 52 6.655 -4.849 2.577 1.00 0.00 N ATOM 0 H ARG A 52 4.182 -5.204 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 52 2.446 -7.141 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.017 -6.481 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.376 -5.341 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.360 -7.097 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.544 -8.279 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.394 -8.827 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.145 -7.712 0.911 1.00 0.00 H new ATOM 0 HE ARG A 52 5.141 -6.844 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.049 -7.704 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.819 -6.125 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.721 -4.446 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.476 -4.247 2.512 1.00 0.00 H new ATOM 611 N THR A 53 1.766 -4.068 -0.279 1.00 0.00 N ATOM 612 CA THR A 53 0.806 -3.190 0.432 1.00 0.00 C ATOM 613 C THR A 53 -0.597 -3.325 -0.153 1.00 0.00 C ATOM 614 O THR A 53 -1.580 -3.190 0.552 1.00 0.00 O ATOM 615 CB THR A 53 1.269 -1.736 0.267 1.00 0.00 C ATOM 616 OG1 THR A 53 2.039 -1.455 1.417 1.00 0.00 O ATOM 617 CG2 THR A 53 0.079 -0.766 0.353 1.00 0.00 C ATOM 0 H THR A 53 2.300 -3.623 -1.025 1.00 0.00 H new ATOM 0 HA THR A 53 0.774 -3.479 1.483 1.00 0.00 H new ATOM 0 HB THR A 53 1.786 -1.621 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.990 -1.569 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.434 0.257 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.636 -0.997 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.406 -0.870 1.324 1.00 0.00 H new ATOM 625 N MET A 54 -0.668 -3.594 -1.432 1.00 0.00 N ATOM 626 CA MET A 54 -1.999 -3.741 -2.079 1.00 0.00 C ATOM 627 C MET A 54 -2.427 -5.201 -2.176 1.00 0.00 C ATOM 628 O MET A 54 -3.591 -5.484 -2.385 1.00 0.00 O ATOM 629 CB MET A 54 -1.905 -3.175 -3.500 1.00 0.00 C ATOM 630 CG MET A 54 -3.163 -3.573 -4.278 1.00 0.00 C ATOM 631 SD MET A 54 -3.544 -2.635 -5.779 1.00 0.00 S ATOM 632 CE MET A 54 -4.842 -3.729 -6.407 1.00 0.00 C ATOM 0 H MET A 54 0.134 -3.717 -2.050 1.00 0.00 H new ATOM 0 HA MET A 54 -2.734 -3.209 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.810 -2.090 -3.468 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.016 -3.558 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.072 -4.624 -4.551 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.016 -3.492 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.228 -3.334 -7.347 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.430 -4.724 -6.574 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.651 -3.789 -5.679 1.00 0.00 H new ATOM 642 N GLY A 55 -1.481 -6.102 -2.024 1.00 0.00 N ATOM 643 CA GLY A 55 -1.827 -7.561 -2.109 1.00 0.00 C ATOM 644 C GLY A 55 -1.436 -8.304 -0.828 1.00 0.00 C ATOM 645 O GLY A 55 -2.158 -9.168 -0.370 1.00 0.00 O ATOM 0 H GLY A 55 -0.498 -5.895 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.897 -7.673 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.316 -8.009 -2.961 1.00 0.00 H new ATOM 649 N TYR A 56 -0.304 -7.965 -0.276 1.00 0.00 N ATOM 650 CA TYR A 56 0.122 -8.656 0.965 1.00 0.00 C ATOM 651 C TYR A 56 -0.013 -10.161 0.797 1.00 0.00 C ATOM 652 O TYR A 56 -0.035 -10.901 1.761 1.00 0.00 O ATOM 653 CB TYR A 56 -0.790 -8.195 2.116 1.00 0.00 C ATOM 654 CG TYR A 56 0.058 -7.900 3.355 1.00 0.00 C ATOM 655 CD1 TYR A 56 0.527 -8.929 4.148 1.00 0.00 C ATOM 656 CD2 TYR A 56 0.364 -6.599 3.701 1.00 0.00 C ATOM 657 CE1 TYR A 56 1.288 -8.661 5.267 1.00 0.00 C ATOM 658 CE2 TYR A 56 1.125 -6.331 4.821 1.00 0.00 C ATOM 659 CZ TYR A 56 1.593 -7.360 5.612 1.00 0.00 C ATOM 660 OH TYR A 56 2.356 -7.093 6.730 1.00 0.00 O ATOM 0 H TYR A 56 0.334 -7.250 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 56 1.163 -8.415 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.343 -7.303 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.526 -8.967 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.296 -9.952 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.005 -5.784 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.648 -9.476 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.356 -5.308 5.080 1.00 0.00 H new ATOM 0 HH TYR A 56 2.474 -6.124 6.822 1.00 0.00 H new ATOM 670 N MET A 57 -0.099 -10.575 -0.439 1.00 0.00 N ATOM 671 CA MET A 57 -0.236 -12.023 -0.743 1.00 0.00 C ATOM 672 C MET A 57 0.999 -12.597 -1.478 1.00 0.00 C ATOM 673 O MET A 57 1.302 -13.767 -1.343 1.00 0.00 O ATOM 674 CB MET A 57 -1.468 -12.205 -1.643 1.00 0.00 C ATOM 675 CG MET A 57 -2.094 -13.572 -1.363 1.00 0.00 C ATOM 676 SD MET A 57 -3.366 -14.158 -2.511 1.00 0.00 S ATOM 677 CE MET A 57 -3.992 -12.534 -3.009 1.00 0.00 C ATOM 0 H MET A 57 -0.080 -9.964 -1.256 1.00 0.00 H new ATOM 0 HA MET A 57 -0.334 -12.558 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.193 -11.413 -1.453 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.182 -12.130 -2.692 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.293 -14.311 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.529 -13.545 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.908 -12.659 -3.587 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.201 -11.937 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.244 -12.027 -3.619 1.00 0.00 H new ATOM 687 N PRO A 58 1.695 -11.763 -2.253 1.00 0.00 N ATOM 688 CA PRO A 58 2.875 -12.221 -2.987 1.00 0.00 C ATOM 689 C PRO A 58 4.011 -12.608 -2.042 1.00 0.00 C ATOM 690 O PRO A 58 3.829 -12.676 -0.843 1.00 0.00 O ATOM 691 CB PRO A 58 3.303 -11.012 -3.848 1.00 0.00 C ATOM 692 CG PRO A 58 2.299 -9.856 -3.556 1.00 0.00 C ATOM 693 CD PRO A 58 1.353 -10.345 -2.448 1.00 0.00 C ATOM 0 HA PRO A 58 2.649 -13.108 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.321 -10.708 -3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.293 -11.271 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.829 -8.957 -3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.738 -9.597 -4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.493 -9.775 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.309 -10.227 -2.740 1.00 0.00 H new ATOM 701 N THR A 59 5.165 -12.853 -2.605 1.00 0.00 N ATOM 702 CA THR A 59 6.322 -13.235 -1.760 1.00 0.00 C ATOM 703 C THR A 59 7.137 -12.012 -1.362 1.00 0.00 C ATOM 704 O THR A 59 6.614 -10.917 -1.281 1.00 0.00 O ATOM 705 CB THR A 59 7.219 -14.171 -2.574 1.00 0.00 C ATOM 706 OG1 THR A 59 7.919 -13.331 -3.469 1.00 0.00 O ATOM 707 CG2 THR A 59 6.380 -15.083 -3.481 1.00 0.00 C ATOM 0 H THR A 59 5.351 -12.804 -3.607 1.00 0.00 H new ATOM 0 HA THR A 59 5.955 -13.719 -0.855 1.00 0.00 H new ATOM 0 HB THR A 59 7.838 -14.765 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.825 -13.680 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.040 -15.738 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.708 -15.686 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.795 -14.473 -4.169 1.00 0.00 H new ATOM 715 N GLU A 60 8.408 -12.229 -1.117 1.00 0.00 N ATOM 716 CA GLU A 60 9.295 -11.106 -0.721 1.00 0.00 C ATOM 717 C GLU A 60 10.537 -11.076 -1.603 1.00 0.00 C ATOM 718 O GLU A 60 11.560 -10.541 -1.226 1.00 0.00 O ATOM 719 CB GLU A 60 9.722 -11.314 0.742 1.00 0.00 C ATOM 720 CG GLU A 60 10.353 -12.702 0.894 1.00 0.00 C ATOM 721 CD GLU A 60 9.247 -13.742 1.093 1.00 0.00 C ATOM 722 OE1 GLU A 60 8.655 -13.706 2.160 1.00 0.00 O ATOM 723 OE2 GLU A 60 9.057 -14.514 0.168 1.00 0.00 O ATOM 0 H GLU A 60 8.863 -13.140 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 60 8.759 -10.164 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.434 -10.544 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.859 -11.220 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.942 -12.945 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.035 -12.713 1.744 1.00 0.00 H new ATOM 730 N MET A 61 10.420 -11.659 -2.767 1.00 0.00 N ATOM 731 CA MET A 61 11.574 -11.682 -3.699 1.00 0.00 C ATOM 732 C MET A 61 11.103 -11.953 -5.121 1.00 0.00 C ATOM 733 O MET A 61 11.822 -11.717 -6.069 1.00 0.00 O ATOM 734 CB MET A 61 12.536 -12.802 -3.270 1.00 0.00 C ATOM 735 CG MET A 61 11.831 -14.152 -3.407 1.00 0.00 C ATOM 736 SD MET A 61 10.364 -14.428 -2.388 1.00 0.00 S ATOM 737 CE MET A 61 11.023 -15.802 -1.414 1.00 0.00 C ATOM 0 H MET A 61 9.575 -12.118 -3.108 1.00 0.00 H new ATOM 0 HA MET A 61 12.075 -10.715 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.434 -12.783 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.855 -12.648 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.545 -14.279 -4.451 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.554 -14.935 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.213 -16.276 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 61 11.483 -16.532 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.770 -15.427 -0.715 1.00 0.00 H new ATOM 747 N GLU A 62 9.905 -12.458 -5.249 1.00 0.00 N ATOM 748 CA GLU A 62 9.388 -12.742 -6.607 1.00 0.00 C ATOM 749 C GLU A 62 9.177 -11.438 -7.356 1.00 0.00 C ATOM 750 O GLU A 62 9.525 -11.314 -8.521 1.00 0.00 O ATOM 751 CB GLU A 62 8.041 -13.473 -6.480 1.00 0.00 C ATOM 752 CG GLU A 62 7.725 -14.179 -7.800 1.00 0.00 C ATOM 753 CD GLU A 62 8.696 -15.345 -7.997 1.00 0.00 C ATOM 754 OE1 GLU A 62 8.550 -16.302 -7.254 1.00 0.00 O ATOM 755 OE2 GLU A 62 9.530 -15.212 -8.877 1.00 0.00 O ATOM 0 H GLU A 62 9.274 -12.682 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 62 10.103 -13.360 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.082 -14.198 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.250 -12.764 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.698 -14.544 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.809 -13.477 -8.630 1.00 0.00 H new ATOM 762 N LEU A 63 8.603 -10.481 -6.676 1.00 0.00 N ATOM 763 CA LEU A 63 8.366 -9.184 -7.330 1.00 0.00 C ATOM 764 C LEU A 63 9.629 -8.752 -8.028 1.00 0.00 C ATOM 765 O LEU A 63 9.609 -8.315 -9.159 1.00 0.00 O ATOM 766 CB LEU A 63 8.022 -8.150 -6.254 1.00 0.00 C ATOM 767 CG LEU A 63 6.974 -8.744 -5.297 1.00 0.00 C ATOM 768 CD1 LEU A 63 7.482 -8.641 -3.852 1.00 0.00 C ATOM 769 CD2 LEU A 63 5.670 -7.958 -5.428 1.00 0.00 C ATOM 0 H LEU A 63 8.295 -10.550 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 63 7.551 -9.269 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.919 -7.870 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.636 -7.241 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 63 6.802 -9.790 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.739 -9.062 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.417 -9.194 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.651 -7.594 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.924 -8.375 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.848 -6.913 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.307 -8.024 -6.454 1.00 0.00 H new ATOM 781 N ILE A 64 10.716 -8.885 -7.331 1.00 0.00 N ATOM 782 CA ILE A 64 11.992 -8.502 -7.909 1.00 0.00 C ATOM 783 C ILE A 64 12.123 -9.088 -9.304 1.00 0.00 C ATOM 784 O ILE A 64 12.473 -8.402 -10.231 1.00 0.00 O ATOM 785 CB ILE A 64 13.090 -9.049 -6.975 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.946 -7.907 -6.497 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.985 -10.071 -7.718 1.00 0.00 C ATOM 788 CD1 ILE A 64 13.077 -6.936 -5.694 1.00 0.00 C ATOM 0 H ILE A 64 10.759 -9.247 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 64 12.079 -7.419 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 64 12.613 -9.547 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.762 -8.281 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.398 -7.394 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.752 -10.443 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.374 -10.904 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.459 -9.586 -8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.689 -6.105 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.276 -6.555 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.646 -7.456 -4.838 1.00 0.00 H new ATOM 800 N GLU A 65 11.826 -10.350 -9.426 1.00 0.00 N ATOM 801 CA GLU A 65 11.930 -10.987 -10.754 1.00 0.00 C ATOM 802 C GLU A 65 11.160 -10.178 -11.780 1.00 0.00 C ATOM 803 O GLU A 65 11.624 -9.965 -12.883 1.00 0.00 O ATOM 804 CB GLU A 65 11.325 -12.395 -10.665 1.00 0.00 C ATOM 805 CG GLU A 65 12.227 -13.375 -11.416 1.00 0.00 C ATOM 806 CD GLU A 65 11.633 -14.782 -11.319 1.00 0.00 C ATOM 807 OE1 GLU A 65 10.674 -15.016 -12.037 1.00 0.00 O ATOM 808 OE2 GLU A 65 12.169 -15.543 -10.532 1.00 0.00 O ATOM 0 H GLU A 65 11.519 -10.959 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 65 12.976 -11.038 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.227 -12.697 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.323 -12.402 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.318 -13.077 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.231 -13.361 -10.992 1.00 0.00 H new ATOM 815 N LEU A 66 9.991 -9.740 -11.402 1.00 0.00 N ATOM 816 CA LEU A 66 9.180 -8.938 -12.348 1.00 0.00 C ATOM 817 C LEU A 66 9.825 -7.576 -12.561 1.00 0.00 C ATOM 818 O LEU A 66 10.152 -7.195 -13.680 1.00 0.00 O ATOM 819 CB LEU A 66 7.780 -8.737 -11.745 1.00 0.00 C ATOM 820 CG LEU A 66 6.887 -9.917 -12.136 1.00 0.00 C ATOM 821 CD1 LEU A 66 7.467 -11.205 -11.545 1.00 0.00 C ATOM 822 CD2 LEU A 66 5.483 -9.692 -11.570 1.00 0.00 C ATOM 0 H LEU A 66 9.569 -9.903 -10.488 1.00 0.00 H new ATOM 0 HA LEU A 66 9.115 -9.458 -13.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.846 -8.660 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.347 -7.804 -12.105 1.00 0.00 H new ATOM 0 HG LEU A 66 6.839 -9.999 -13.222 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.834 -12.049 -11.821 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.473 -11.363 -11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.507 -11.121 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.841 -10.529 -11.845 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.536 -9.617 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.070 -8.769 -11.978 1.00 0.00 H new ATOM 834 N SER A 67 10.013 -6.865 -11.484 1.00 0.00 N ATOM 835 CA SER A 67 10.631 -5.537 -11.603 1.00 0.00 C ATOM 836 C SER A 67 12.047 -5.675 -12.137 1.00 0.00 C ATOM 837 O SER A 67 12.644 -4.719 -12.589 1.00 0.00 O ATOM 838 CB SER A 67 10.656 -4.889 -10.211 1.00 0.00 C ATOM 839 OG SER A 67 11.824 -5.417 -9.605 1.00 0.00 O ATOM 0 H SER A 67 9.764 -7.152 -10.538 1.00 0.00 H new ATOM 0 HA SER A 67 10.059 -4.916 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.698 -3.802 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.762 -5.139 -9.639 1.00 0.00 H new ATOM 0 HG SER A 67 11.707 -5.437 -8.632 1.00 0.00 H new ATOM 845 N GLN A 68 12.562 -6.875 -12.072 1.00 0.00 N ATOM 846 CA GLN A 68 13.931 -7.105 -12.572 1.00 0.00 C ATOM 847 C GLN A 68 13.876 -7.236 -14.073 1.00 0.00 C ATOM 848 O GLN A 68 14.731 -6.740 -14.781 1.00 0.00 O ATOM 849 CB GLN A 68 14.469 -8.415 -11.979 1.00 0.00 C ATOM 850 CG GLN A 68 15.726 -8.831 -12.746 1.00 0.00 C ATOM 851 CD GLN A 68 15.326 -9.721 -13.927 1.00 0.00 C ATOM 852 OE1 GLN A 68 14.584 -10.670 -13.780 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.799 -9.449 -15.113 1.00 0.00 N ATOM 0 H GLN A 68 12.089 -7.696 -11.695 1.00 0.00 H new ATOM 0 HA GLN A 68 14.579 -6.277 -12.286 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.700 -8.283 -10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.712 -9.197 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.256 -7.949 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.408 -9.367 -12.086 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.423 -8.653 -15.243 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.544 -10.033 -15.910 1.00 0.00 H new ATOM 862 N GLN A 69 12.857 -7.910 -14.536 1.00 0.00 N ATOM 863 CA GLN A 69 12.713 -8.090 -15.986 1.00 0.00 C ATOM 864 C GLN A 69 12.746 -6.734 -16.655 1.00 0.00 C ATOM 865 O GLN A 69 13.333 -6.569 -17.707 1.00 0.00 O ATOM 866 CB GLN A 69 11.357 -8.759 -16.265 1.00 0.00 C ATOM 867 CG GLN A 69 11.172 -8.912 -17.776 1.00 0.00 C ATOM 868 CD GLN A 69 12.174 -9.937 -18.310 1.00 0.00 C ATOM 869 OE1 GLN A 69 12.813 -9.729 -19.322 1.00 0.00 O ATOM 870 NE2 GLN A 69 12.343 -11.057 -17.661 1.00 0.00 N ATOM 0 H GLN A 69 12.127 -8.337 -13.965 1.00 0.00 H new ATOM 0 HA GLN A 69 13.522 -8.710 -16.372 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.313 -9.735 -15.781 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.549 -8.159 -15.847 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.154 -9.232 -17.998 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.319 -7.952 -18.270 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.810 -11.239 -16.810 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.008 -11.750 -18.004 1.00 0.00 H new ATOM 879 N ILE A 70 12.111 -5.771 -16.029 1.00 0.00 N ATOM 880 CA ILE A 70 12.104 -4.414 -16.624 1.00 0.00 C ATOM 881 C ILE A 70 13.511 -4.030 -17.061 1.00 0.00 C ATOM 882 O ILE A 70 13.695 -3.278 -17.996 1.00 0.00 O ATOM 883 CB ILE A 70 11.643 -3.416 -15.563 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.275 -3.812 -15.034 1.00 0.00 C ATOM 885 CG2 ILE A 70 11.533 -2.028 -16.211 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.780 -2.724 -14.080 1.00 0.00 C ATOM 0 H ILE A 70 11.608 -5.871 -15.147 1.00 0.00 H new ATOM 0 HA ILE A 70 11.436 -4.403 -17.485 1.00 0.00 H new ATOM 0 HB ILE A 70 12.360 -3.405 -14.742 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.574 -3.938 -15.859 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.333 -4.769 -14.516 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.205 -1.304 -15.466 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.506 -1.731 -16.602 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.810 -2.063 -17.026 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.798 -2.998 -13.694 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.480 -2.621 -13.251 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.708 -1.777 -14.614 1.00 0.00 H new ATOM 898 N ASN A 71 14.481 -4.560 -16.364 1.00 0.00 N ATOM 899 CA ASN A 71 15.889 -4.251 -16.705 1.00 0.00 C ATOM 900 C ASN A 71 16.123 -4.335 -18.208 1.00 0.00 C ATOM 901 O ASN A 71 16.851 -3.541 -18.770 1.00 0.00 O ATOM 902 CB ASN A 71 16.788 -5.283 -16.007 1.00 0.00 C ATOM 903 CG ASN A 71 18.243 -5.044 -16.413 1.00 0.00 C ATOM 904 OD1 ASN A 71 18.790 -3.979 -16.206 1.00 0.00 O ATOM 905 ND2 ASN A 71 18.905 -6.008 -16.991 1.00 0.00 N ATOM 0 H ASN A 71 14.353 -5.193 -15.574 1.00 0.00 H new ATOM 0 HA ASN A 71 16.119 -3.237 -16.378 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.682 -5.201 -14.925 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.483 -6.293 -16.282 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.877 -5.866 -17.267 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.451 -6.904 -17.167 1.00 0.00 H new ATOM 912 N MET A 72 15.502 -5.294 -18.832 1.00 0.00 N ATOM 913 CA MET A 72 15.676 -5.445 -20.297 1.00 0.00 C ATOM 914 C MET A 72 14.929 -4.351 -21.050 1.00 0.00 C ATOM 915 O MET A 72 15.287 -4.002 -22.157 1.00 0.00 O ATOM 916 CB MET A 72 15.106 -6.809 -20.713 1.00 0.00 C ATOM 917 CG MET A 72 16.148 -7.896 -20.437 1.00 0.00 C ATOM 918 SD MET A 72 15.553 -9.601 -20.303 1.00 0.00 S ATOM 919 CE MET A 72 14.707 -9.672 -21.901 1.00 0.00 C ATOM 0 H MET A 72 14.885 -5.976 -18.392 1.00 0.00 H new ATOM 0 HA MET A 72 16.736 -5.371 -20.538 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.190 -7.018 -20.160 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.844 -6.800 -21.771 1.00 0.00 H new ATOM 0 HG2 MET A 72 16.892 -7.860 -21.233 1.00 0.00 H new ATOM 0 HG3 MET A 72 16.661 -7.644 -19.509 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.443 -10.705 -22.127 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.802 -9.067 -21.861 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.366 -9.287 -22.679 1.00 0.00 H new ATOM 929 N ASN A 73 13.901 -3.831 -20.437 1.00 0.00 N ATOM 930 CA ASN A 73 13.119 -2.763 -21.102 1.00 0.00 C ATOM 931 C ASN A 73 13.678 -1.385 -20.772 1.00 0.00 C ATOM 932 O ASN A 73 14.394 -0.798 -21.559 1.00 0.00 O ATOM 933 CB ASN A 73 11.672 -2.835 -20.594 1.00 0.00 C ATOM 934 CG ASN A 73 11.001 -4.087 -21.157 1.00 0.00 C ATOM 935 OD1 ASN A 73 11.244 -5.190 -20.711 1.00 0.00 O ATOM 936 ND2 ASN A 73 10.149 -3.961 -22.137 1.00 0.00 N ATOM 0 H ASN A 73 13.574 -4.101 -19.509 1.00 0.00 H new ATOM 0 HA ASN A 73 13.171 -2.911 -22.181 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.658 -2.860 -19.504 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.122 -1.945 -20.900 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.691 -4.786 -22.524 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.941 -3.037 -22.516 1.00 0.00 H new ATOM 943 N LEU A 74 13.338 -0.898 -19.610 1.00 0.00 N ATOM 944 CA LEU A 74 13.835 0.439 -19.203 1.00 0.00 C ATOM 945 C LEU A 74 15.085 0.318 -18.339 1.00 0.00 C ATOM 946 O LEU A 74 16.191 0.459 -18.824 1.00 0.00 O ATOM 947 CB LEU A 74 12.730 1.137 -18.392 1.00 0.00 C ATOM 948 CG LEU A 74 11.400 1.015 -19.145 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.347 1.879 -18.452 1.00 0.00 C ATOM 950 CD2 LEU A 74 11.584 1.507 -20.582 1.00 0.00 C ATOM 0 H LEU A 74 12.740 -1.368 -18.930 1.00 0.00 H new ATOM 0 HA LEU A 74 14.089 1.012 -20.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.646 0.684 -17.404 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.981 2.187 -18.241 1.00 0.00 H new ATOM 0 HG LEU A 74 11.078 -0.026 -19.151 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.400 1.795 -18.984 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.217 1.540 -17.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.672 2.919 -18.452 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.640 1.421 -21.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.902 2.549 -20.572 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.341 0.901 -21.080 1.00 0.00 H new ATOM 962 N GLY A 75 14.893 0.059 -17.074 1.00 0.00 N ATOM 963 CA GLY A 75 16.074 -0.072 -16.172 1.00 0.00 C ATOM 964 C GLY A 75 15.713 0.316 -14.732 1.00 0.00 C ATOM 965 O GLY A 75 16.177 1.319 -14.225 1.00 0.00 O ATOM 0 H GLY A 75 13.983 -0.066 -16.630 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.441 -1.098 -16.195 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.883 0.564 -16.532 1.00 0.00 H new ATOM 969 N GLY A 76 14.889 -0.482 -14.104 1.00 0.00 N ATOM 970 CA GLY A 76 14.494 -0.167 -12.700 1.00 0.00 C ATOM 971 C GLY A 76 13.611 1.079 -12.654 1.00 0.00 C ATOM 972 O GLY A 76 13.666 1.849 -11.718 1.00 0.00 O ATOM 0 H GLY A 76 14.477 -1.328 -14.497 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.960 -1.014 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.385 -0.010 -12.093 1.00 0.00 H new ATOM 976 N HIS A 77 12.817 1.250 -13.667 1.00 0.00 N ATOM 977 CA HIS A 77 11.925 2.431 -13.703 1.00 0.00 C ATOM 978 C HIS A 77 10.667 2.105 -14.472 1.00 0.00 C ATOM 979 O HIS A 77 10.682 2.048 -15.682 1.00 0.00 O ATOM 980 CB HIS A 77 12.645 3.572 -14.421 1.00 0.00 C ATOM 981 CG HIS A 77 13.693 4.182 -13.490 1.00 0.00 C ATOM 982 ND1 HIS A 77 13.619 4.457 -12.139 1.00 0.00 N flip ATOM 983 CD2 HIS A 77 14.836 4.540 -13.841 1.00 0.00 C flip ATOM 984 CE1 HIS A 77 14.798 5.000 -11.729 1.00 0.00 C flip ATOM 985 NE2 HIS A 77 15.495 5.012 -12.865 1.00 0.00 N flip ATOM 0 H HIS A 77 12.748 0.624 -14.469 1.00 0.00 H new ATOM 0 HA HIS A 77 11.668 2.716 -12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.122 3.201 -15.328 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.927 4.334 -14.726 1.00 0.00 H new ATOM 0 HD2 HIS A 77 15.216 4.458 -14.849 1.00 0.00 H new ATOM 0 HE1 HIS A 77 15.091 5.333 -10.744 1.00 0.00 H new ATOM 0 HE2 HIS A 77 16.450 5.361 -12.941 1.00 0.00 H new ATOM 993 N VAL A 78 9.597 1.903 -13.755 1.00 0.00 N ATOM 994 CA VAL A 78 8.319 1.575 -14.428 1.00 0.00 C ATOM 995 C VAL A 78 7.374 2.759 -14.450 1.00 0.00 C ATOM 996 O VAL A 78 7.351 3.574 -13.536 1.00 0.00 O ATOM 997 CB VAL A 78 7.640 0.406 -13.659 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.560 -0.063 -12.556 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.310 0.866 -13.028 1.00 0.00 C ATOM 0 H VAL A 78 9.556 1.951 -12.737 1.00 0.00 H new ATOM 0 HA VAL A 78 8.537 1.298 -15.459 1.00 0.00 H new ATOM 0 HB VAL A 78 7.440 -0.402 -14.363 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.089 -0.883 -12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.500 -0.406 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.755 0.761 -11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.853 0.032 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.501 1.681 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.635 1.210 -13.812 1.00 0.00 H new ATOM 1009 N ASP A 79 6.621 2.822 -15.505 1.00 0.00 N ATOM 1010 CA ASP A 79 5.651 3.911 -15.663 1.00 0.00 C ATOM 1011 C ASP A 79 4.287 3.347 -15.345 1.00 0.00 C ATOM 1012 O ASP A 79 4.112 2.145 -15.344 1.00 0.00 O ATOM 1013 CB ASP A 79 5.677 4.396 -17.122 1.00 0.00 C ATOM 1014 CG ASP A 79 5.954 3.209 -18.046 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.390 2.164 -17.767 1.00 0.00 O ATOM 1016 OD2 ASP A 79 6.714 3.414 -18.978 1.00 0.00 O ATOM 0 H ASP A 79 6.643 2.150 -16.272 1.00 0.00 H new ATOM 0 HA ASP A 79 5.886 4.747 -15.004 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.724 4.858 -17.380 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.446 5.158 -17.250 1.00 0.00 H new ATOM 1021 N PHE A 80 3.347 4.183 -15.063 1.00 0.00 N ATOM 1022 CA PHE A 80 2.012 3.642 -14.749 1.00 0.00 C ATOM 1023 C PHE A 80 1.579 2.597 -15.774 1.00 0.00 C ATOM 1024 O PHE A 80 0.615 1.887 -15.565 1.00 0.00 O ATOM 1025 CB PHE A 80 0.993 4.781 -14.728 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.207 4.327 -13.903 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.038 3.922 -12.589 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.467 4.274 -14.464 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.107 3.468 -11.859 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.539 3.820 -13.728 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.359 3.417 -12.427 1.00 0.00 C ATOM 0 H PHE A 80 3.439 5.198 -15.036 1.00 0.00 H new ATOM 0 HA PHE A 80 2.062 3.162 -13.772 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.434 5.679 -14.296 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.684 5.034 -15.742 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.942 3.964 -12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.613 4.590 -15.486 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.966 3.150 -10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.522 3.781 -14.174 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.200 3.060 -11.851 1.00 0.00 H new ATOM 1041 N ASP A 81 2.295 2.514 -16.863 1.00 0.00 N ATOM 1042 CA ASP A 81 1.925 1.518 -17.894 1.00 0.00 C ATOM 1043 C ASP A 81 2.495 0.151 -17.536 1.00 0.00 C ATOM 1044 O ASP A 81 1.782 -0.834 -17.536 1.00 0.00 O ATOM 1045 CB ASP A 81 2.505 1.965 -19.245 1.00 0.00 C ATOM 1046 CG ASP A 81 1.719 3.172 -19.762 1.00 0.00 C ATOM 1047 OD1 ASP A 81 1.938 4.238 -19.211 1.00 0.00 O ATOM 1048 OD2 ASP A 81 0.944 2.960 -20.680 1.00 0.00 O ATOM 0 H ASP A 81 3.110 3.088 -17.077 1.00 0.00 H new ATOM 0 HA ASP A 81 0.839 1.446 -17.951 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.558 2.224 -19.133 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.452 1.148 -19.964 1.00 0.00 H new ATOM 1053 N ASP A 82 3.774 0.102 -17.234 1.00 0.00 N ATOM 1054 CA ASP A 82 4.369 -1.200 -16.878 1.00 0.00 C ATOM 1055 C ASP A 82 3.781 -1.650 -15.563 1.00 0.00 C ATOM 1056 O ASP A 82 3.503 -2.810 -15.354 1.00 0.00 O ATOM 1057 CB ASP A 82 5.886 -1.019 -16.719 1.00 0.00 C ATOM 1058 CG ASP A 82 6.527 -0.883 -18.102 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.313 0.159 -18.698 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.197 -1.830 -18.483 1.00 0.00 O ATOM 0 H ASP A 82 4.410 0.899 -17.222 1.00 0.00 H new ATOM 0 HA ASP A 82 4.164 -1.940 -17.651 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.097 -0.134 -16.119 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.312 -1.872 -16.190 1.00 0.00 H new ATOM 1065 N PHE A 83 3.588 -0.695 -14.705 1.00 0.00 N ATOM 1066 CA PHE A 83 3.019 -0.975 -13.375 1.00 0.00 C ATOM 1067 C PHE A 83 1.660 -1.647 -13.523 1.00 0.00 C ATOM 1068 O PHE A 83 1.390 -2.666 -12.910 1.00 0.00 O ATOM 1069 CB PHE A 83 2.864 0.396 -12.702 1.00 0.00 C ATOM 1070 CG PHE A 83 2.154 0.312 -11.355 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.856 -0.017 -10.208 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.838 0.728 -11.238 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.256 0.086 -8.969 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.245 0.829 -9.998 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.953 0.513 -8.866 1.00 0.00 C ATOM 0 H PHE A 83 3.807 0.286 -14.878 1.00 0.00 H new ATOM 0 HA PHE A 83 3.651 -1.643 -12.790 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.849 0.841 -12.562 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.305 1.059 -13.362 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.879 -0.356 -10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.273 0.975 -12.125 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.811 -0.169 -8.079 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.780 1.158 -9.917 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.487 0.600 -7.895 1.00 0.00 H new ATOM 1085 N VAL A 84 0.833 -1.072 -14.350 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.506 -1.657 -14.557 1.00 0.00 C ATOM 1087 C VAL A 84 -0.393 -2.955 -15.350 1.00 0.00 C ATOM 1088 O VAL A 84 -1.108 -3.907 -15.097 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.346 -0.650 -15.360 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.438 -1.393 -16.126 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -1.991 0.345 -14.401 1.00 0.00 C ATOM 0 H VAL A 84 1.031 -0.227 -14.886 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.970 -1.871 -13.594 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.704 -0.120 -16.064 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.033 -0.679 -16.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.981 -2.109 -16.808 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.081 -1.922 -15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.588 1.061 -14.966 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.633 -0.189 -13.700 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.214 0.875 -13.850 1.00 0.00 H new ATOM 1101 N GLU A 85 0.513 -2.971 -16.293 1.00 0.00 N ATOM 1102 CA GLU A 85 0.692 -4.192 -17.114 1.00 0.00 C ATOM 1103 C GLU A 85 1.339 -5.309 -16.302 1.00 0.00 C ATOM 1104 O GLU A 85 1.057 -6.468 -16.518 1.00 0.00 O ATOM 1105 CB GLU A 85 1.607 -3.859 -18.304 1.00 0.00 C ATOM 1106 CG GLU A 85 0.841 -2.988 -19.305 1.00 0.00 C ATOM 1107 CD GLU A 85 -0.058 -3.876 -20.167 1.00 0.00 C ATOM 1108 OE1 GLU A 85 0.487 -4.808 -20.736 1.00 0.00 O ATOM 1109 OE2 GLU A 85 -1.239 -3.572 -20.210 1.00 0.00 O ATOM 0 H GLU A 85 1.131 -2.193 -16.525 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.288 -4.528 -17.455 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.498 -3.336 -17.957 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.944 -4.777 -18.786 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.240 -2.249 -18.775 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.540 -2.438 -19.935 1.00 0.00 H new ATOM 1116 N LEU A 86 2.202 -4.949 -15.377 1.00 0.00 N ATOM 1117 CA LEU A 86 2.855 -6.009 -14.563 1.00 0.00 C ATOM 1118 C LEU A 86 1.876 -6.575 -13.545 1.00 0.00 C ATOM 1119 O LEU A 86 2.040 -7.683 -13.074 1.00 0.00 O ATOM 1120 CB LEU A 86 4.061 -5.409 -13.811 1.00 0.00 C ATOM 1121 CG LEU A 86 5.348 -5.644 -14.625 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.548 -7.149 -14.836 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.229 -4.960 -15.989 1.00 0.00 C ATOM 0 H LEU A 86 2.473 -3.990 -15.159 1.00 0.00 H new ATOM 0 HA LEU A 86 3.184 -6.807 -15.229 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.909 -4.341 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.153 -5.867 -12.826 1.00 0.00 H new ATOM 0 HG LEU A 86 6.197 -5.229 -14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.458 -7.318 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.634 -7.644 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.695 -7.557 -15.378 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.141 -5.129 -16.561 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.379 -5.374 -16.531 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.082 -3.889 -15.848 1.00 0.00 H new ATOM 1135 N MET A 87 0.877 -5.800 -13.213 1.00 0.00 N ATOM 1136 CA MET A 87 -0.118 -6.289 -12.227 1.00 0.00 C ATOM 1137 C MET A 87 -1.140 -7.201 -12.904 1.00 0.00 C ATOM 1138 O MET A 87 -1.658 -8.108 -12.299 1.00 0.00 O ATOM 1139 CB MET A 87 -0.857 -5.079 -11.636 1.00 0.00 C ATOM 1140 CG MET A 87 -1.903 -5.574 -10.634 1.00 0.00 C ATOM 1141 SD MET A 87 -1.422 -6.924 -9.530 1.00 0.00 S ATOM 1142 CE MET A 87 -2.677 -6.636 -8.258 1.00 0.00 C ATOM 0 H MET A 87 0.712 -4.862 -13.579 1.00 0.00 H new ATOM 0 HA MET A 87 0.399 -6.850 -11.448 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.151 -4.410 -11.144 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.337 -4.507 -12.430 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.207 -4.727 -10.019 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.782 -5.893 -11.194 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.564 -7.372 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.555 -5.634 -7.846 1.00 0.00 H new ATOM 0 HE3 MET A 87 -3.670 -6.728 -8.699 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.401 -6.935 -14.150 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.387 -7.766 -14.905 1.00 0.00 C ATOM 1154 C GLY A 88 -2.196 -9.281 -14.660 1.00 0.00 C ATOM 1155 O GLY A 88 -3.119 -9.969 -14.295 1.00 0.00 O ATOM 0 H GLY A 88 -0.975 -6.177 -14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.397 -7.479 -14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.291 -7.559 -15.971 1.00 0.00 H new ATOM 1159 N PRO A 89 -0.994 -9.760 -14.881 1.00 0.00 N ATOM 1160 CA PRO A 89 -0.682 -11.181 -14.690 1.00 0.00 C ATOM 1161 C PRO A 89 -0.937 -11.672 -13.256 1.00 0.00 C ATOM 1162 O PRO A 89 -1.301 -12.814 -13.055 1.00 0.00 O ATOM 1163 CB PRO A 89 0.820 -11.300 -15.016 1.00 0.00 C ATOM 1164 CG PRO A 89 1.313 -9.889 -15.468 1.00 0.00 C ATOM 1165 CD PRO A 89 0.119 -8.927 -15.341 1.00 0.00 C ATOM 0 HA PRO A 89 -1.321 -11.795 -15.325 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.377 -11.639 -14.142 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.985 -12.035 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.144 -9.555 -14.847 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.675 -9.919 -16.496 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.331 -8.126 -14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.110 -8.455 -16.296 1.00 0.00 H new ATOM 1173 N LYS A 90 -0.748 -10.815 -12.290 1.00 0.00 N ATOM 1174 CA LYS A 90 -0.982 -11.251 -10.883 1.00 0.00 C ATOM 1175 C LYS A 90 -2.443 -11.644 -10.651 1.00 0.00 C ATOM 1176 O LYS A 90 -2.802 -12.085 -9.577 1.00 0.00 O ATOM 1177 CB LYS A 90 -0.627 -10.091 -9.936 1.00 0.00 C ATOM 1178 CG LYS A 90 0.783 -10.313 -9.378 1.00 0.00 C ATOM 1179 CD LYS A 90 1.148 -9.146 -8.452 1.00 0.00 C ATOM 1180 CE LYS A 90 1.590 -9.698 -7.093 1.00 0.00 C ATOM 1181 NZ LYS A 90 0.420 -10.236 -6.344 1.00 0.00 N ATOM 0 H LYS A 90 -0.447 -9.848 -12.409 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.356 -12.122 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.675 -9.142 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.349 -10.036 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.826 -11.255 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.503 -10.385 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.948 -8.552 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.291 -8.484 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.331 -10.485 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.070 -8.910 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.692 -11.115 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.106 -9.536 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.356 -10.432 -7.007 1.00 0.00 H new ATOM 1195 N LEU A 91 -3.260 -11.482 -11.659 1.00 0.00 N ATOM 1196 CA LEU A 91 -4.694 -11.847 -11.496 1.00 0.00 C ATOM 1197 C LEU A 91 -4.894 -13.343 -11.718 1.00 0.00 C ATOM 1198 O LEU A 91 -5.773 -13.785 -12.433 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.525 -11.073 -12.541 1.00 0.00 C ATOM 1200 CG LEU A 91 -5.736 -9.623 -12.069 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -4.444 -9.088 -11.455 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -6.107 -8.752 -13.271 1.00 0.00 C ATOM 0 H LEU A 91 -2.999 -11.118 -12.575 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.013 -11.593 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.014 -11.081 -13.504 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.488 -11.561 -12.687 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.533 -9.599 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.597 -8.061 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.162 -9.707 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.649 -9.113 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.258 -7.724 -12.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.302 -8.784 -14.006 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.026 -9.127 -13.722 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 8.541 10.155 -8.245 1.00 0.00 MG