USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 155:sc= -0.368 (180deg=-0.501) USER MOD Single : A 3 SER OG : rot 53:sc= 0.00862 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -160:sc= -1.9 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.215 K(o=0.21,f=-0.46) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00647) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -130:sc= 0.0949 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -84:sc= 0.527 USER MOD Single : A 42 LYS NZ :NH3+ -118:sc= 0.379 (180deg=-4.68!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -174:sc= -7.19! (180deg=-7.64!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -59:sc= 1.13 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.14! F(o=-1.8,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0987 X(o=-0.099,f=-0.25) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -166:sc= -0.537 (180deg=-1.75!) USER MOD Single : A 75 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00271 X(o=-0.0027,f=-0.45) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 29:sc= 0.539 USER MOD Single : A 86 ASN : amide:sc= 0.227 X(o=0.23,f=-0.23) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -21.707 -1.200 -18.246 1.00 0.00 N ATOM 2 CA VAL A 1 -22.544 -0.097 -17.807 1.00 0.00 C ATOM 3 C VAL A 1 -21.657 1.021 -17.252 1.00 0.00 C ATOM 4 O VAL A 1 -20.928 0.816 -16.284 1.00 0.00 O ATOM 5 CB VAL A 1 -23.580 -0.594 -16.797 1.00 0.00 C ATOM 6 CG1 VAL A 1 -24.678 -1.400 -17.491 1.00 0.00 C ATOM 7 CG2 VAL A 1 -22.915 -1.414 -15.689 1.00 0.00 C ATOM 0 H1 VAL A 1 -22.255 -2.083 -18.220 1.00 0.00 H new ATOM 0 H2 VAL A 1 -21.381 -1.023 -19.218 1.00 0.00 H new ATOM 0 H3 VAL A 1 -20.885 -1.284 -17.615 1.00 0.00 H new ATOM 0 HA VAL A 1 -23.102 0.316 -18.647 1.00 0.00 H new ATOM 0 HB VAL A 1 -24.045 0.278 -16.336 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -25.402 -1.742 -16.751 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -25.180 -0.772 -18.227 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -24.236 -2.262 -17.991 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -23.673 -1.755 -14.984 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -22.412 -2.276 -16.127 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -22.186 -0.795 -15.166 1.00 0.00 H new ATOM 17 N GLY A 2 -21.749 2.178 -17.891 1.00 0.00 N ATOM 18 CA GLY A 2 -20.964 3.328 -17.473 1.00 0.00 C ATOM 19 C GLY A 2 -21.442 3.854 -16.119 1.00 0.00 C ATOM 20 O GLY A 2 -22.592 3.645 -15.738 1.00 0.00 O ATOM 0 H GLY A 2 -22.355 2.344 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.912 3.051 -17.409 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.041 4.117 -18.221 1.00 0.00 H new ATOM 24 N SER A 3 -20.533 4.527 -15.428 1.00 0.00 N ATOM 25 CA SER A 3 -20.846 5.086 -14.124 1.00 0.00 C ATOM 26 C SER A 3 -19.750 6.065 -13.698 1.00 0.00 C ATOM 27 O SER A 3 -18.786 6.281 -14.429 1.00 0.00 O ATOM 28 CB SER A 3 -21.008 3.982 -13.077 1.00 0.00 C ATOM 29 OG SER A 3 -22.357 3.859 -12.635 1.00 0.00 O ATOM 0 H SER A 3 -19.579 4.698 -15.747 1.00 0.00 H new ATOM 0 HA SER A 3 -21.793 5.621 -14.199 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.676 3.033 -13.497 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.365 4.195 -12.223 1.00 0.00 H new ATOM 0 HG SER A 3 -22.946 3.748 -13.410 1.00 0.00 H new ATOM 35 N GLU A 4 -19.937 6.633 -12.514 1.00 0.00 N ATOM 36 CA GLU A 4 -18.977 7.584 -11.982 1.00 0.00 C ATOM 37 C GLU A 4 -17.572 6.978 -11.982 1.00 0.00 C ATOM 38 O GLU A 4 -17.417 5.762 -12.098 1.00 0.00 O ATOM 39 CB GLU A 4 -19.377 8.039 -10.576 1.00 0.00 C ATOM 40 CG GLU A 4 -19.039 9.515 -10.361 1.00 0.00 C ATOM 41 CD GLU A 4 -18.402 9.736 -8.988 1.00 0.00 C ATOM 42 OE1 GLU A 4 -19.175 9.984 -8.037 1.00 0.00 O ATOM 43 OE2 GLU A 4 -17.156 9.651 -8.918 1.00 0.00 O ATOM 0 H GLU A 4 -20.739 6.452 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.972 8.463 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.446 7.882 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.860 7.432 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.357 9.853 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.945 10.116 -10.447 1.00 0.00 H new ATOM 50 N VAL A 5 -16.585 7.852 -11.852 1.00 0.00 N ATOM 51 CA VAL A 5 -15.198 7.418 -11.835 1.00 0.00 C ATOM 52 C VAL A 5 -14.443 8.177 -10.743 1.00 0.00 C ATOM 53 O VAL A 5 -13.458 8.859 -11.024 1.00 0.00 O ATOM 54 CB VAL A 5 -14.578 7.593 -13.223 1.00 0.00 C ATOM 55 CG1 VAL A 5 -13.113 7.154 -13.229 1.00 0.00 C ATOM 56 CG2 VAL A 5 -15.382 6.835 -14.283 1.00 0.00 C ATOM 0 H VAL A 5 -16.718 8.859 -11.757 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.133 6.356 -11.596 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.611 8.654 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.697 7.289 -14.227 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.550 7.757 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.047 6.103 -12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.920 6.976 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.396 5.773 -14.038 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.403 7.216 -14.306 1.00 0.00 H new ATOM 66 N SER A 6 -14.933 8.034 -9.521 1.00 0.00 N ATOM 67 CA SER A 6 -14.317 8.699 -8.385 1.00 0.00 C ATOM 68 C SER A 6 -12.901 8.162 -8.170 1.00 0.00 C ATOM 69 O SER A 6 -12.050 8.851 -7.609 1.00 0.00 O ATOM 70 CB SER A 6 -15.153 8.513 -7.117 1.00 0.00 C ATOM 71 OG SER A 6 -15.095 9.655 -6.268 1.00 0.00 O ATOM 0 H SER A 6 -15.750 7.467 -9.292 1.00 0.00 H new ATOM 0 HA SER A 6 -14.266 9.766 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.190 8.318 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.797 7.638 -6.573 1.00 0.00 H new ATOM 0 HG SER A 6 -15.643 9.498 -5.471 1.00 0.00 H new ATOM 77 N ASP A 7 -12.690 6.936 -8.628 1.00 0.00 N ATOM 78 CA ASP A 7 -11.392 6.300 -8.493 1.00 0.00 C ATOM 79 C ASP A 7 -10.449 6.841 -9.568 1.00 0.00 C ATOM 80 O ASP A 7 -9.281 7.118 -9.293 1.00 0.00 O ATOM 81 CB ASP A 7 -11.500 4.785 -8.679 1.00 0.00 C ATOM 82 CG ASP A 7 -12.379 4.067 -7.653 1.00 0.00 C ATOM 83 OD1 ASP A 7 -13.594 3.956 -7.926 1.00 0.00 O ATOM 84 OD2 ASP A 7 -11.818 3.647 -6.618 1.00 0.00 O ATOM 0 H ASP A 7 -13.397 6.367 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.013 6.516 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.893 4.584 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.498 4.357 -8.639 1.00 0.00 H new ATOM 89 N LYS A 8 -10.988 6.978 -10.771 1.00 0.00 N ATOM 90 CA LYS A 8 -10.208 7.482 -11.888 1.00 0.00 C ATOM 91 C LYS A 8 -8.791 6.911 -11.815 1.00 0.00 C ATOM 92 O LYS A 8 -8.551 5.781 -12.238 1.00 0.00 O ATOM 93 CB LYS A 8 -10.253 9.011 -11.926 1.00 0.00 C ATOM 94 CG LYS A 8 -10.412 9.591 -10.519 1.00 0.00 C ATOM 95 CD LYS A 8 -10.350 11.119 -10.545 1.00 0.00 C ATOM 96 CE LYS A 8 -9.351 11.645 -9.512 1.00 0.00 C ATOM 97 NZ LYS A 8 -8.719 12.894 -9.992 1.00 0.00 N ATOM 0 H LYS A 8 -11.956 6.748 -10.996 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.638 7.149 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.339 9.394 -12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.082 9.338 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.363 9.269 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.626 9.203 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.062 11.458 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.339 11.530 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.860 11.828 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.585 10.893 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.044 13.238 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.217 12.709 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.452 13.615 -10.151 1.00 0.00 H new ATOM 111 N ARG A 9 -7.889 7.718 -11.275 1.00 0.00 N ATOM 112 CA ARG A 9 -6.502 7.306 -11.141 1.00 0.00 C ATOM 113 C ARG A 9 -6.412 5.979 -10.386 1.00 0.00 C ATOM 114 O ARG A 9 -6.012 4.964 -10.954 1.00 0.00 O ATOM 115 CB ARG A 9 -5.683 8.364 -10.399 1.00 0.00 C ATOM 116 CG ARG A 9 -4.238 8.391 -10.900 1.00 0.00 C ATOM 117 CD ARG A 9 -4.053 9.462 -11.979 1.00 0.00 C ATOM 118 NE ARG A 9 -2.818 9.194 -12.750 1.00 0.00 N ATOM 119 CZ ARG A 9 -2.440 9.893 -13.828 1.00 0.00 C ATOM 120 NH1 ARG A 9 -3.197 10.907 -14.268 1.00 0.00 N ATOM 121 NH2 ARG A 9 -1.303 9.580 -14.465 1.00 0.00 N ATOM 0 H ARG A 9 -8.092 8.655 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.094 7.184 -12.144 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.138 9.345 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.697 8.155 -9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.564 8.589 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.970 7.414 -11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.914 9.470 -12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.998 10.448 -11.519 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.218 8.429 -12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.061 11.147 -13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.909 11.439 -15.089 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.726 8.809 -14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.015 10.112 -15.286 1.00 0.00 H new ATOM 135 N THR A 10 -6.793 6.029 -9.118 1.00 0.00 N ATOM 136 CA THR A 10 -6.760 4.843 -8.280 1.00 0.00 C ATOM 137 C THR A 10 -7.172 3.609 -9.086 1.00 0.00 C ATOM 138 O THR A 10 -6.458 2.607 -9.102 1.00 0.00 O ATOM 139 CB THR A 10 -7.651 5.099 -7.063 1.00 0.00 C ATOM 140 OG1 THR A 10 -7.083 6.255 -6.453 1.00 0.00 O ATOM 141 CG2 THR A 10 -7.516 4.010 -5.997 1.00 0.00 C ATOM 0 H THR A 10 -7.126 6.872 -8.651 1.00 0.00 H new ATOM 0 HA THR A 10 -5.750 4.638 -7.924 1.00 0.00 H new ATOM 0 HB THR A 10 -8.691 5.165 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.601 6.492 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.170 4.241 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.799 3.047 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.483 3.965 -5.652 1.00 0.00 H new ATOM 149 N CYS A 11 -8.322 3.722 -9.734 1.00 0.00 N ATOM 150 CA CYS A 11 -8.837 2.628 -10.539 1.00 0.00 C ATOM 151 C CYS A 11 -10.149 3.082 -11.183 1.00 0.00 C ATOM 152 O CYS A 11 -10.317 4.261 -11.491 1.00 0.00 O ATOM 153 CB CYS A 11 -9.020 1.353 -9.713 1.00 0.00 C ATOM 154 SG CYS A 11 -10.438 1.385 -8.556 1.00 0.00 S ATOM 0 H CYS A 11 -8.911 4.554 -9.718 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.117 2.377 -11.318 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.143 0.511 -10.394 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.108 1.172 -9.143 1.00 0.00 H new ATOM 159 N VAL A 12 -11.044 2.123 -11.369 1.00 0.00 N ATOM 160 CA VAL A 12 -12.334 2.410 -11.973 1.00 0.00 C ATOM 161 C VAL A 12 -13.446 2.002 -11.003 1.00 0.00 C ATOM 162 O VAL A 12 -14.156 2.856 -10.473 1.00 0.00 O ATOM 163 CB VAL A 12 -12.443 1.716 -13.332 1.00 0.00 C ATOM 164 CG1 VAL A 12 -12.254 2.717 -14.473 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.442 0.564 -13.441 1.00 0.00 C ATOM 0 H VAL A 12 -10.901 1.146 -11.112 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.439 3.479 -12.160 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.446 1.297 -13.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.336 2.199 -15.429 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.022 3.488 -14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.269 3.178 -14.393 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.540 0.088 -14.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.429 0.950 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.642 -0.167 -12.658 1.00 0.00 H new ATOM 175 N SER A 13 -13.563 0.698 -10.800 1.00 0.00 N ATOM 176 CA SER A 13 -14.576 0.167 -9.905 1.00 0.00 C ATOM 177 C SER A 13 -13.911 -0.576 -8.745 1.00 0.00 C ATOM 178 O SER A 13 -12.721 -0.402 -8.492 1.00 0.00 O ATOM 179 CB SER A 13 -15.538 -0.761 -10.649 1.00 0.00 C ATOM 180 OG SER A 13 -15.960 -0.207 -11.892 1.00 0.00 O ATOM 0 H SER A 13 -12.972 -0.007 -11.241 1.00 0.00 H new ATOM 0 HA SER A 13 -15.154 1.002 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.052 -1.720 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.410 -0.956 -10.024 1.00 0.00 H new ATOM 0 HG SER A 13 -16.572 -0.830 -12.337 1.00 0.00 H new ATOM 186 N LEU A 14 -14.711 -1.389 -8.070 1.00 0.00 N ATOM 187 CA LEU A 14 -14.215 -2.160 -6.942 1.00 0.00 C ATOM 188 C LEU A 14 -14.247 -3.649 -7.295 1.00 0.00 C ATOM 189 O LEU A 14 -15.299 -4.284 -7.228 1.00 0.00 O ATOM 190 CB LEU A 14 -14.993 -1.812 -5.672 1.00 0.00 C ATOM 191 CG LEU A 14 -14.390 -0.710 -4.797 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.265 -0.443 -3.572 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.948 -1.045 -4.410 1.00 0.00 C ATOM 0 H LEU A 14 -15.699 -1.531 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.177 -1.904 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.001 -1.511 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.089 -2.715 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.361 0.211 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.814 0.344 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.257 -0.129 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.348 -1.354 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.543 -0.246 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.929 -1.982 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.343 -1.145 -5.311 1.00 0.00 H new ATOM 205 N THR A 15 -13.082 -4.162 -7.661 1.00 0.00 N ATOM 206 CA THR A 15 -12.963 -5.565 -8.024 1.00 0.00 C ATOM 207 C THR A 15 -13.597 -5.817 -9.393 1.00 0.00 C ATOM 208 O THR A 15 -13.303 -5.111 -10.356 1.00 0.00 O ATOM 209 CB THR A 15 -13.589 -6.398 -6.903 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.096 -5.798 -5.708 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.040 -7.825 -6.857 1.00 0.00 C ATOM 0 H THR A 15 -12.212 -3.632 -7.714 1.00 0.00 H new ATOM 0 HA THR A 15 -11.919 -5.860 -8.124 1.00 0.00 H new ATOM 0 HB THR A 15 -14.670 -6.429 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.177 -6.433 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.517 -8.372 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.248 -8.325 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.963 -7.795 -6.691 1.00 0.00 H new ATOM 219 N THR A 16 -14.454 -6.826 -9.437 1.00 0.00 N ATOM 220 CA THR A 16 -15.131 -7.180 -10.673 1.00 0.00 C ATOM 221 C THR A 16 -14.169 -7.895 -11.623 1.00 0.00 C ATOM 222 O THR A 16 -14.537 -8.236 -12.746 1.00 0.00 O ATOM 223 CB THR A 16 -15.733 -5.904 -11.264 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.993 -6.322 -11.783 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.968 -5.412 -12.496 1.00 0.00 C ATOM 0 H THR A 16 -14.695 -7.410 -8.636 1.00 0.00 H new ATOM 0 HA THR A 16 -15.942 -7.886 -10.492 1.00 0.00 H new ATOM 0 HB THR A 16 -15.742 -5.122 -10.505 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.452 -5.555 -12.184 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.436 -4.504 -12.876 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.935 -5.200 -12.222 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.988 -6.181 -13.268 1.00 0.00 H new ATOM 233 N GLN A 17 -12.952 -8.101 -11.138 1.00 0.00 N ATOM 234 CA GLN A 17 -11.934 -8.769 -11.929 1.00 0.00 C ATOM 235 C GLN A 17 -10.971 -9.533 -11.019 1.00 0.00 C ATOM 236 O GLN A 17 -9.939 -9.000 -10.614 1.00 0.00 O ATOM 237 CB GLN A 17 -11.180 -7.768 -12.808 1.00 0.00 C ATOM 238 CG GLN A 17 -10.492 -6.700 -11.957 1.00 0.00 C ATOM 239 CD GLN A 17 -10.266 -5.418 -12.764 1.00 0.00 C ATOM 240 OE1 GLN A 17 -9.319 -5.293 -13.524 1.00 0.00 O ATOM 241 NE2 GLN A 17 -11.184 -4.479 -12.557 1.00 0.00 N ATOM 0 H GLN A 17 -12.649 -7.816 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.425 -9.485 -12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.437 -8.293 -13.409 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.874 -7.294 -13.502 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.101 -6.480 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.537 -7.079 -11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.951 -4.650 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.121 -3.587 -13.049 1.00 0.00 H new ATOM 250 N ARG A 18 -11.342 -10.770 -10.724 1.00 0.00 N ATOM 251 CA ARG A 18 -10.524 -11.613 -9.870 1.00 0.00 C ATOM 252 C ARG A 18 -9.145 -11.828 -10.498 1.00 0.00 C ATOM 253 O ARG A 18 -8.902 -12.853 -11.134 1.00 0.00 O ATOM 254 CB ARG A 18 -11.188 -12.972 -9.638 1.00 0.00 C ATOM 255 CG ARG A 18 -11.115 -13.374 -8.163 1.00 0.00 C ATOM 256 CD ARG A 18 -10.701 -14.840 -8.014 1.00 0.00 C ATOM 257 NE ARG A 18 -11.858 -15.722 -8.282 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.928 -17.006 -7.902 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.908 -17.564 -7.236 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.019 -17.730 -8.187 1.00 0.00 N ATOM 0 H ARG A 18 -12.199 -11.209 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.415 -11.106 -8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.230 -12.931 -9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.698 -13.729 -10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.400 -12.736 -7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.085 -13.216 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.890 -15.070 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.322 -15.019 -7.008 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.652 -15.329 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.078 -17.012 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.961 -18.541 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.796 -17.304 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.073 -18.707 -7.898 1.00 0.00 H new ATOM 274 N LEU A 19 -8.280 -10.845 -10.298 1.00 0.00 N ATOM 275 CA LEU A 19 -6.932 -10.914 -10.838 1.00 0.00 C ATOM 276 C LEU A 19 -6.101 -11.888 -10.000 1.00 0.00 C ATOM 277 O LEU A 19 -6.300 -11.998 -8.791 1.00 0.00 O ATOM 278 CB LEU A 19 -6.323 -9.513 -10.937 1.00 0.00 C ATOM 279 CG LEU A 19 -6.260 -8.908 -12.340 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.494 -8.049 -12.624 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.960 -8.126 -12.542 1.00 0.00 C ATOM 0 H LEU A 19 -8.486 -9.997 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.948 -11.303 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.898 -8.842 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.312 -9.548 -10.532 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.262 -9.724 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.423 -7.631 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.391 -8.664 -12.549 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.548 -7.239 -11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.940 -7.706 -13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.903 -7.320 -11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.109 -8.795 -12.411 1.00 0.00 H new ATOM 293 N PRO A 20 -5.164 -12.587 -10.694 1.00 0.00 N ATOM 294 CA PRO A 20 -4.302 -13.548 -10.027 1.00 0.00 C ATOM 295 C PRO A 20 -3.219 -12.841 -9.211 1.00 0.00 C ATOM 296 O PRO A 20 -2.549 -11.939 -9.712 1.00 0.00 O ATOM 297 CB PRO A 20 -3.736 -14.411 -11.143 1.00 0.00 C ATOM 298 CG PRO A 20 -3.932 -13.615 -12.424 1.00 0.00 C ATOM 299 CD PRO A 20 -4.901 -12.483 -12.126 1.00 0.00 C ATOM 0 HA PRO A 20 -4.838 -14.160 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.681 -14.626 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.252 -15.370 -11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.980 -13.219 -12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.324 -14.255 -13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.469 -11.515 -12.380 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.819 -12.584 -12.705 1.00 0.00 H new ATOM 307 N VAL A 21 -3.080 -13.275 -7.967 1.00 0.00 N ATOM 308 CA VAL A 21 -2.090 -12.695 -7.077 1.00 0.00 C ATOM 309 C VAL A 21 -0.725 -12.695 -7.770 1.00 0.00 C ATOM 310 O VAL A 21 0.048 -11.749 -7.624 1.00 0.00 O ATOM 311 CB VAL A 21 -2.083 -13.442 -5.743 1.00 0.00 C ATOM 312 CG1 VAL A 21 -1.079 -14.597 -5.765 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.796 -12.488 -4.581 1.00 0.00 C ATOM 0 H VAL A 21 -3.638 -14.023 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.340 -11.658 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.076 -13.865 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.095 -15.111 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.348 -15.298 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.079 -14.206 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.797 -13.045 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.821 -12.022 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.565 -11.717 -4.545 1.00 0.00 H new ATOM 323 N SER A 22 -0.472 -13.766 -8.507 1.00 0.00 N ATOM 324 CA SER A 22 0.785 -13.901 -9.223 1.00 0.00 C ATOM 325 C SER A 22 0.982 -12.712 -10.165 1.00 0.00 C ATOM 326 O SER A 22 2.081 -12.165 -10.259 1.00 0.00 O ATOM 327 CB SER A 22 0.833 -15.214 -10.007 1.00 0.00 C ATOM 328 OG SER A 22 1.613 -15.098 -11.194 1.00 0.00 O ATOM 0 H SER A 22 -1.116 -14.548 -8.624 1.00 0.00 H new ATOM 0 HA SER A 22 1.595 -13.915 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.249 -15.999 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.181 -15.518 -10.267 1.00 0.00 H new ATOM 0 HG SER A 22 1.621 -15.957 -11.666 1.00 0.00 H new ATOM 334 N ARG A 23 -0.098 -12.346 -10.838 1.00 0.00 N ATOM 335 CA ARG A 23 -0.058 -11.232 -11.770 1.00 0.00 C ATOM 336 C ARG A 23 -0.027 -9.905 -11.009 1.00 0.00 C ATOM 337 O ARG A 23 0.106 -8.842 -11.613 1.00 0.00 O ATOM 338 CB ARG A 23 -1.271 -11.250 -12.702 1.00 0.00 C ATOM 339 CG ARG A 23 -1.071 -12.248 -13.843 1.00 0.00 C ATOM 340 CD ARG A 23 0.217 -11.950 -14.613 1.00 0.00 C ATOM 341 NE ARG A 23 -0.020 -12.084 -16.068 1.00 0.00 N ATOM 342 CZ ARG A 23 0.001 -13.249 -16.729 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.249 -14.389 -16.069 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.225 -13.275 -18.049 1.00 0.00 N ATOM 0 H ARG A 23 -1.007 -12.801 -10.757 1.00 0.00 H new ATOM 0 HA ARG A 23 0.847 -11.332 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.165 -11.513 -12.136 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.435 -10.253 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.033 -13.261 -13.442 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.923 -12.205 -14.522 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.562 -10.942 -14.384 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.004 -12.636 -14.300 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.211 -11.236 -16.601 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.422 -14.369 -15.064 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.265 -15.276 -16.572 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.413 -12.407 -18.551 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.209 -14.162 -18.552 1.00 0.00 H new ATOM 358 N ILE A 24 -0.153 -10.010 -9.695 1.00 0.00 N ATOM 359 CA ILE A 24 -0.141 -8.831 -8.844 1.00 0.00 C ATOM 360 C ILE A 24 1.228 -8.706 -8.174 1.00 0.00 C ATOM 361 O ILE A 24 1.877 -9.710 -7.885 1.00 0.00 O ATOM 362 CB ILE A 24 -1.308 -8.871 -7.856 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.636 -9.087 -8.586 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.330 -7.615 -6.984 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.649 -9.792 -7.681 1.00 0.00 C ATOM 0 H ILE A 24 -0.264 -10.894 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.289 -7.930 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.165 -9.722 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.038 -8.127 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.469 -9.682 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.169 -7.668 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.399 -7.546 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.438 -6.734 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.584 -9.934 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.254 -10.762 -7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.831 -9.183 -6.796 1.00 0.00 H new ATOM 377 N LYS A 25 1.628 -7.463 -7.945 1.00 0.00 N ATOM 378 CA LYS A 25 2.909 -7.193 -7.313 1.00 0.00 C ATOM 379 C LYS A 25 2.679 -6.792 -5.855 1.00 0.00 C ATOM 380 O LYS A 25 2.908 -7.588 -4.945 1.00 0.00 O ATOM 381 CB LYS A 25 3.695 -6.157 -8.119 1.00 0.00 C ATOM 382 CG LYS A 25 5.199 -6.295 -7.870 1.00 0.00 C ATOM 383 CD LYS A 25 5.576 -5.766 -6.485 1.00 0.00 C ATOM 384 CE LYS A 25 6.630 -4.661 -6.588 1.00 0.00 C ATOM 385 NZ LYS A 25 7.563 -4.726 -5.442 1.00 0.00 N ATOM 0 H LYS A 25 1.088 -6.632 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 25 3.526 -8.091 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.486 -6.282 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.368 -5.154 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.491 -7.342 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.750 -5.747 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.688 -5.381 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.958 -6.582 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.183 -4.764 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.142 -3.686 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.291 -3.991 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.038 -4.571 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.017 -5.662 -5.416 1.00 0.00 H new ATOM 399 N THR A 26 2.228 -5.559 -5.678 1.00 0.00 N ATOM 400 CA THR A 26 1.964 -5.043 -4.345 1.00 0.00 C ATOM 401 C THR A 26 0.528 -4.524 -4.249 1.00 0.00 C ATOM 402 O THR A 26 -0.183 -4.467 -5.251 1.00 0.00 O ATOM 403 CB THR A 26 3.017 -3.977 -4.034 1.00 0.00 C ATOM 404 OG1 THR A 26 2.949 -3.825 -2.619 1.00 0.00 O ATOM 405 CG2 THR A 26 2.634 -2.599 -4.575 1.00 0.00 C ATOM 0 H THR A 26 2.039 -4.902 -6.435 1.00 0.00 H new ATOM 0 HA THR A 26 2.044 -5.829 -3.594 1.00 0.00 H new ATOM 0 HB THR A 26 3.975 -4.279 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.601 -3.153 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.415 -1.881 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.521 -2.652 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.693 -2.281 -4.127 1.00 0.00 H new ATOM 413 N TYR A 27 0.145 -4.160 -3.034 1.00 0.00 N ATOM 414 CA TYR A 27 -1.194 -3.647 -2.794 1.00 0.00 C ATOM 415 C TYR A 27 -1.177 -2.552 -1.725 1.00 0.00 C ATOM 416 O TYR A 27 -0.257 -2.487 -0.911 1.00 0.00 O ATOM 417 CB TYR A 27 -2.013 -4.833 -2.280 1.00 0.00 C ATOM 418 CG TYR A 27 -1.576 -5.342 -0.906 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.351 -5.961 -0.756 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.406 -5.183 0.185 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.060 -6.441 0.538 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.995 -5.663 1.479 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.782 -6.268 1.592 1.00 0.00 C ATOM 424 OH TYR A 27 -0.393 -6.720 2.814 1.00 0.00 O ATOM 0 H TYR A 27 0.738 -4.210 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.610 -3.215 -3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.063 -4.543 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.941 -5.650 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.299 -6.085 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.364 -4.698 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.015 -6.927 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.636 -5.545 2.341 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.093 -6.527 3.472 1.00 0.00 H new ATOM 434 N THR A 28 -2.207 -1.719 -1.763 1.00 0.00 N ATOM 435 CA THR A 28 -2.323 -0.630 -0.807 1.00 0.00 C ATOM 436 C THR A 28 -3.748 -0.554 -0.256 1.00 0.00 C ATOM 437 O THR A 28 -4.701 -0.361 -1.011 1.00 0.00 O ATOM 438 CB THR A 28 -1.870 0.656 -1.500 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.575 0.905 -0.959 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.692 1.873 -1.070 1.00 0.00 C ATOM 0 H THR A 28 -2.968 -1.776 -2.440 1.00 0.00 H new ATOM 0 HA THR A 28 -1.682 -0.793 0.059 1.00 0.00 H new ATOM 0 HB THR A 28 -1.943 0.531 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.206 1.722 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.330 2.759 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.741 1.710 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.592 2.018 0.006 1.00 0.00 H new ATOM 448 N ILE A 29 -3.851 -0.710 1.056 1.00 0.00 N ATOM 449 CA ILE A 29 -5.144 -0.661 1.716 1.00 0.00 C ATOM 450 C ILE A 29 -5.311 0.696 2.403 1.00 0.00 C ATOM 451 O ILE A 29 -4.375 1.203 3.018 1.00 0.00 O ATOM 452 CB ILE A 29 -5.308 -1.853 2.662 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.290 -3.174 1.889 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.569 -1.706 3.517 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.702 -4.340 2.788 1.00 0.00 C ATOM 0 H ILE A 29 -3.060 -0.870 1.679 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.948 -0.750 0.985 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.457 -1.867 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.967 -3.110 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.291 -3.353 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.661 -2.566 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.501 -0.795 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.444 -1.652 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.681 -5.267 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.009 -4.416 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.710 -4.170 3.165 1.00 0.00 H new ATOM 467 N THR A 30 -6.510 1.245 2.273 1.00 0.00 N ATOM 468 CA THR A 30 -6.810 2.534 2.873 1.00 0.00 C ATOM 469 C THR A 30 -7.886 2.382 3.951 1.00 0.00 C ATOM 470 O THR A 30 -8.609 1.387 3.976 1.00 0.00 O ATOM 471 CB THR A 30 -7.206 3.497 1.751 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.131 2.751 0.964 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.049 3.786 0.794 1.00 0.00 C ATOM 0 H THR A 30 -7.284 0.821 1.762 1.00 0.00 H new ATOM 0 HA THR A 30 -5.939 2.946 3.382 1.00 0.00 H new ATOM 0 HB THR A 30 -7.562 4.432 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.873 2.801 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.383 4.474 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.224 4.235 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.715 2.855 0.335 1.00 0.00 H new ATOM 481 N GLU A 31 -7.957 3.383 4.816 1.00 0.00 N ATOM 482 CA GLU A 31 -8.932 3.374 5.893 1.00 0.00 C ATOM 483 C GLU A 31 -9.863 4.582 5.777 1.00 0.00 C ATOM 484 O GLU A 31 -10.980 4.561 6.292 1.00 0.00 O ATOM 485 CB GLU A 31 -8.240 3.344 7.257 1.00 0.00 C ATOM 486 CG GLU A 31 -8.411 1.979 7.928 1.00 0.00 C ATOM 487 CD GLU A 31 -9.563 2.004 8.936 1.00 0.00 C ATOM 488 OE1 GLU A 31 -9.565 2.934 9.772 1.00 0.00 O ATOM 489 OE2 GLU A 31 -10.414 1.093 8.847 1.00 0.00 O ATOM 0 H GLU A 31 -7.355 4.206 4.793 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.532 2.468 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.179 3.563 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.655 4.123 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.602 1.219 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.487 1.700 8.434 1.00 0.00 H new ATOM 496 N GLY A 32 -9.369 5.607 5.098 1.00 0.00 N ATOM 497 CA GLY A 32 -10.143 6.822 4.908 1.00 0.00 C ATOM 498 C GLY A 32 -11.389 6.551 4.062 1.00 0.00 C ATOM 499 O GLY A 32 -11.731 5.398 3.805 1.00 0.00 O ATOM 0 H GLY A 32 -8.442 5.621 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.437 7.225 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.526 7.578 4.422 1.00 0.00 H new ATOM 503 N SER A 33 -12.035 7.634 3.652 1.00 0.00 N ATOM 504 CA SER A 33 -13.235 7.527 2.842 1.00 0.00 C ATOM 505 C SER A 33 -13.062 6.429 1.792 1.00 0.00 C ATOM 506 O SER A 33 -14.038 5.812 1.366 1.00 0.00 O ATOM 507 CB SER A 33 -13.563 8.860 2.165 1.00 0.00 C ATOM 508 OG SER A 33 -14.054 9.824 3.094 1.00 0.00 O ATOM 0 H SER A 33 -11.749 8.589 3.866 1.00 0.00 H new ATOM 0 HA SER A 33 -14.067 7.267 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.669 9.249 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.306 8.697 1.385 1.00 0.00 H new ATOM 0 HG SER A 33 -14.250 10.661 2.624 1.00 0.00 H new ATOM 514 N LEU A 34 -11.813 6.215 1.405 1.00 0.00 N ATOM 515 CA LEU A 34 -11.499 5.200 0.414 1.00 0.00 C ATOM 516 C LEU A 34 -11.829 3.819 0.982 1.00 0.00 C ATOM 517 O LEU A 34 -12.595 3.065 0.385 1.00 0.00 O ATOM 518 CB LEU A 34 -10.051 5.342 -0.059 1.00 0.00 C ATOM 519 CG LEU A 34 -9.859 5.858 -1.486 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.375 6.067 -1.799 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.532 4.930 -2.500 1.00 0.00 C ATOM 0 H LEU A 34 -11.006 6.728 1.760 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.114 5.333 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.531 6.016 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.566 4.369 0.023 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.346 6.830 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.267 6.434 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.956 6.795 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.845 5.120 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.380 5.320 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.096 3.934 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.600 4.874 -2.289 1.00 0.00 H new ATOM 533 N ARG A 35 -11.232 3.529 2.129 1.00 0.00 N ATOM 534 CA ARG A 35 -11.452 2.251 2.785 1.00 0.00 C ATOM 535 C ARG A 35 -11.570 1.134 1.745 1.00 0.00 C ATOM 536 O ARG A 35 -12.510 0.342 1.784 1.00 0.00 O ATOM 537 CB ARG A 35 -12.722 2.281 3.636 1.00 0.00 C ATOM 538 CG ARG A 35 -12.723 1.144 4.660 1.00 0.00 C ATOM 539 CD ARG A 35 -12.126 1.603 5.992 1.00 0.00 C ATOM 540 NE ARG A 35 -11.336 0.508 6.597 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.874 -0.578 7.170 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.205 -0.720 7.218 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.080 -1.522 7.694 1.00 0.00 N ATOM 0 H ARG A 35 -10.596 4.157 2.621 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.597 2.060 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.796 3.239 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.597 2.196 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.743 0.792 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.151 0.301 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.492 2.476 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.922 1.906 6.672 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.319 0.584 6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.809 -0.002 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.614 -1.546 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.066 -1.414 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.489 -2.348 8.130 1.00 0.00 H new ATOM 557 N ALA A 36 -10.602 1.107 0.841 1.00 0.00 N ATOM 558 CA ALA A 36 -10.585 0.100 -0.207 1.00 0.00 C ATOM 559 C ALA A 36 -9.164 -0.444 -0.363 1.00 0.00 C ATOM 560 O ALA A 36 -8.196 0.220 0.012 1.00 0.00 O ATOM 561 CB ALA A 36 -11.123 0.706 -1.505 1.00 0.00 C ATOM 0 H ALA A 36 -9.824 1.766 0.812 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.231 -0.738 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.111 -0.049 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.145 1.051 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.497 1.548 -1.800 1.00 0.00 H new ATOM 567 N VAL A 37 -9.080 -1.644 -0.916 1.00 0.00 N ATOM 568 CA VAL A 37 -7.793 -2.285 -1.125 1.00 0.00 C ATOM 569 C VAL A 37 -7.317 -2.009 -2.554 1.00 0.00 C ATOM 570 O VAL A 37 -8.082 -2.157 -3.505 1.00 0.00 O ATOM 571 CB VAL A 37 -7.893 -3.778 -0.807 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.347 -4.002 0.637 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.825 -4.487 -1.792 1.00 0.00 C ATOM 0 H VAL A 37 -9.883 -2.190 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.046 -1.872 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.899 -4.211 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.410 -5.072 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.629 -3.547 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.326 -3.547 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.878 -5.547 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.821 -4.049 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.440 -4.371 -2.805 1.00 0.00 H new ATOM 583 N ILE A 38 -6.058 -1.611 -2.657 1.00 0.00 N ATOM 584 CA ILE A 38 -5.471 -1.311 -3.952 1.00 0.00 C ATOM 585 C ILE A 38 -4.533 -2.451 -4.357 1.00 0.00 C ATOM 586 O ILE A 38 -3.715 -2.900 -3.555 1.00 0.00 O ATOM 587 CB ILE A 38 -4.799 0.062 -3.932 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.774 1.144 -3.464 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.187 0.393 -5.294 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.563 1.719 -4.642 1.00 0.00 C ATOM 0 H ILE A 38 -5.427 -1.489 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.246 -1.248 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.982 0.031 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.463 0.725 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.225 1.943 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.716 1.375 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.439 -0.358 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.969 0.398 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.248 2.486 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.873 2.159 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.130 0.922 -5.123 1.00 0.00 H new ATOM 602 N PHE A 39 -4.682 -2.883 -5.600 1.00 0.00 N ATOM 603 CA PHE A 39 -3.857 -3.961 -6.121 1.00 0.00 C ATOM 604 C PHE A 39 -2.986 -3.473 -7.280 1.00 0.00 C ATOM 605 O PHE A 39 -3.501 -3.057 -8.316 1.00 0.00 O ATOM 606 CB PHE A 39 -4.808 -5.044 -6.634 1.00 0.00 C ATOM 607 CG PHE A 39 -5.090 -6.155 -5.621 1.00 0.00 C ATOM 608 CD1 PHE A 39 -5.825 -5.890 -4.508 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.606 -7.409 -5.834 1.00 0.00 C ATOM 610 CE1 PHE A 39 -6.087 -6.922 -3.567 1.00 0.00 C ATOM 611 CE2 PHE A 39 -4.868 -8.440 -4.894 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.602 -8.175 -3.780 1.00 0.00 C ATOM 0 H PHE A 39 -5.361 -2.507 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.197 -4.336 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.751 -4.579 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.385 -5.487 -7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.210 -4.895 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.023 -7.620 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.671 -6.712 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.484 -9.435 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.800 -8.959 -3.064 1.00 0.00 H new ATOM 622 N ILE A 40 -1.680 -3.541 -7.066 1.00 0.00 N ATOM 623 CA ILE A 40 -0.732 -3.112 -8.079 1.00 0.00 C ATOM 624 C ILE A 40 -0.148 -4.342 -8.778 1.00 0.00 C ATOM 625 O ILE A 40 0.298 -5.281 -8.121 1.00 0.00 O ATOM 626 CB ILE A 40 0.326 -2.192 -7.468 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.317 -1.156 -6.544 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.178 -1.537 -8.558 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.724 -0.161 -6.028 1.00 0.00 C ATOM 0 H ILE A 40 -1.256 -3.887 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.234 -2.518 -8.843 1.00 0.00 H new ATOM 0 HB ILE A 40 0.995 -2.798 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.101 -0.622 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.793 -1.659 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.922 -0.888 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.681 -2.309 -9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.538 -0.947 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.241 0.565 -5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.494 -0.696 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.180 0.358 -6.871 1.00 0.00 H new ATOM 641 N THR A 41 -0.169 -4.295 -10.102 1.00 0.00 N ATOM 642 CA THR A 41 0.354 -5.394 -10.897 1.00 0.00 C ATOM 643 C THR A 41 1.774 -5.081 -11.372 1.00 0.00 C ATOM 644 O THR A 41 2.214 -3.935 -11.310 1.00 0.00 O ATOM 645 CB THR A 41 -0.627 -5.656 -12.043 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.055 -4.356 -12.438 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.909 -6.344 -11.571 1.00 0.00 C ATOM 0 H THR A 41 -0.539 -3.514 -10.644 1.00 0.00 H new ATOM 0 HA THR A 41 0.437 -6.306 -10.306 1.00 0.00 H new ATOM 0 HB THR A 41 -0.143 -6.272 -12.801 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.795 -4.067 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.570 -6.506 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.661 -7.303 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.411 -5.714 -10.837 1.00 0.00 H new ATOM 655 N LYS A 42 2.451 -6.120 -11.837 1.00 0.00 N ATOM 656 CA LYS A 42 3.812 -5.970 -12.323 1.00 0.00 C ATOM 657 C LYS A 42 3.825 -4.992 -13.499 1.00 0.00 C ATOM 658 O LYS A 42 4.813 -4.292 -13.718 1.00 0.00 O ATOM 659 CB LYS A 42 4.416 -7.337 -12.652 1.00 0.00 C ATOM 660 CG LYS A 42 5.434 -7.757 -11.590 1.00 0.00 C ATOM 661 CD LYS A 42 5.225 -9.216 -11.177 1.00 0.00 C ATOM 662 CE LYS A 42 3.778 -9.461 -10.742 1.00 0.00 C ATOM 663 NZ LYS A 42 3.104 -10.382 -11.683 1.00 0.00 N ATOM 0 H LYS A 42 2.082 -7.070 -11.888 1.00 0.00 H new ATOM 0 HA LYS A 42 4.449 -5.544 -11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.624 -8.083 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.898 -7.300 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.444 -7.626 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.341 -7.111 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.474 -9.873 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.902 -9.467 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.760 -9.882 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.239 -8.515 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.302 -9.895 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.778 -10.685 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.757 -11.215 -11.165 1.00 0.00 H new ATOM 677 N ARG A 43 2.717 -4.975 -14.224 1.00 0.00 N ATOM 678 CA ARG A 43 2.587 -4.094 -15.373 1.00 0.00 C ATOM 679 C ARG A 43 2.565 -2.632 -14.921 1.00 0.00 C ATOM 680 O ARG A 43 2.855 -1.731 -15.707 1.00 0.00 O ATOM 681 CB ARG A 43 1.310 -4.397 -16.159 1.00 0.00 C ATOM 682 CG ARG A 43 1.561 -4.313 -17.666 1.00 0.00 C ATOM 683 CD ARG A 43 0.661 -3.260 -18.314 1.00 0.00 C ATOM 684 NE ARG A 43 0.437 -3.592 -19.739 1.00 0.00 N ATOM 685 CZ ARG A 43 -0.462 -4.486 -20.170 1.00 0.00 C ATOM 686 NH1 ARG A 43 -1.228 -5.143 -19.288 1.00 0.00 N ATOM 687 NH2 ARG A 43 -0.596 -4.724 -21.482 1.00 0.00 N ATOM 0 H ARG A 43 1.900 -5.557 -14.039 1.00 0.00 H new ATOM 0 HA ARG A 43 3.447 -4.265 -16.020 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.948 -5.392 -15.902 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.529 -3.691 -15.877 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.607 -4.066 -17.851 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.377 -5.285 -18.124 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.293 -3.213 -17.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.121 -2.275 -18.230 1.00 0.00 H new ATOM 0 HE ARG A 43 1.003 -3.109 -20.437 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.126 -4.962 -18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.913 -5.824 -19.615 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.013 -4.224 -22.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.281 -5.405 -21.809 1.00 0.00 H new ATOM 701 N GLY A 44 2.219 -2.442 -13.656 1.00 0.00 N ATOM 702 CA GLY A 44 2.155 -1.106 -13.091 1.00 0.00 C ATOM 703 C GLY A 44 0.706 -0.628 -12.974 1.00 0.00 C ATOM 704 O GLY A 44 0.452 0.496 -12.544 1.00 0.00 O ATOM 0 H GLY A 44 1.980 -3.192 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.624 -1.101 -12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.720 -0.415 -13.717 1.00 0.00 H new ATOM 708 N LEU A 45 -0.206 -1.506 -13.366 1.00 0.00 N ATOM 709 CA LEU A 45 -1.622 -1.188 -13.311 1.00 0.00 C ATOM 710 C LEU A 45 -2.130 -1.386 -11.881 1.00 0.00 C ATOM 711 O LEU A 45 -1.918 -2.439 -11.283 1.00 0.00 O ATOM 712 CB LEU A 45 -2.395 -1.997 -14.355 1.00 0.00 C ATOM 713 CG LEU A 45 -2.813 -1.238 -15.616 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.138 -1.823 -16.857 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.337 -1.205 -15.754 1.00 0.00 C ATOM 0 H LEU A 45 0.009 -2.437 -13.723 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.787 -0.141 -13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.782 -2.848 -14.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.291 -2.400 -13.883 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.475 -0.206 -15.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.452 -1.265 -17.739 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.056 -1.753 -16.750 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.424 -2.869 -16.968 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.609 -0.660 -16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.719 -2.224 -15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.770 -0.707 -14.886 1.00 0.00 H new ATOM 727 N LYS A 46 -2.792 -0.356 -11.374 1.00 0.00 N ATOM 728 CA LYS A 46 -3.332 -0.403 -10.026 1.00 0.00 C ATOM 729 C LYS A 46 -4.860 -0.418 -10.094 1.00 0.00 C ATOM 730 O LYS A 46 -5.458 0.320 -10.876 1.00 0.00 O ATOM 731 CB LYS A 46 -2.765 0.739 -9.181 1.00 0.00 C ATOM 732 CG LYS A 46 -1.415 1.208 -9.729 1.00 0.00 C ATOM 733 CD LYS A 46 -0.501 1.685 -8.599 1.00 0.00 C ATOM 734 CE LYS A 46 -1.240 2.643 -7.663 1.00 0.00 C ATOM 735 NZ LYS A 46 -1.396 3.972 -8.297 1.00 0.00 N ATOM 0 H LYS A 46 -2.967 0.516 -11.873 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.026 -1.321 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.467 1.573 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.648 0.409 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.935 0.393 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.569 2.017 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.138 0.827 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.373 2.183 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.220 2.235 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.690 2.743 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.900 4.609 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.458 4.367 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.940 3.875 -9.178 1.00 0.00 H new ATOM 749 N VAL A 47 -5.450 -1.265 -9.264 1.00 0.00 N ATOM 750 CA VAL A 47 -6.897 -1.386 -9.219 1.00 0.00 C ATOM 751 C VAL A 47 -7.365 -1.329 -7.764 1.00 0.00 C ATOM 752 O VAL A 47 -6.548 -1.354 -6.845 1.00 0.00 O ATOM 753 CB VAL A 47 -7.338 -2.662 -9.940 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.740 -3.746 -8.938 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.478 -2.373 -10.920 1.00 0.00 C ATOM 0 H VAL A 47 -4.951 -1.875 -8.616 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.366 -0.554 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.489 -3.033 -10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.049 -4.642 -9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.890 -3.982 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.567 -3.387 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.772 -3.297 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.331 -1.967 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.144 -1.650 -11.664 1.00 0.00 H new ATOM 765 N CYS A 48 -8.678 -1.254 -7.600 1.00 0.00 N ATOM 766 CA CYS A 48 -9.263 -1.193 -6.272 1.00 0.00 C ATOM 767 C CYS A 48 -10.171 -2.411 -6.092 1.00 0.00 C ATOM 768 O CYS A 48 -10.705 -2.942 -7.064 1.00 0.00 O ATOM 769 CB CYS A 48 -10.018 0.120 -6.046 1.00 0.00 C ATOM 770 SG CYS A 48 -9.315 1.569 -6.914 1.00 0.00 S ATOM 0 H CYS A 48 -9.353 -1.234 -8.365 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.473 -1.215 -5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.051 -0.012 -6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.040 0.330 -4.977 1.00 0.00 H new ATOM 775 N ALA A 49 -10.318 -2.819 -4.839 1.00 0.00 N ATOM 776 CA ALA A 49 -11.151 -3.965 -4.518 1.00 0.00 C ATOM 777 C ALA A 49 -11.678 -3.823 -3.089 1.00 0.00 C ATOM 778 O ALA A 49 -11.066 -3.146 -2.262 1.00 0.00 O ATOM 779 CB ALA A 49 -10.349 -5.252 -4.719 1.00 0.00 C ATOM 0 H ALA A 49 -9.874 -2.376 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.013 -4.011 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.974 -6.112 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.024 -5.320 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.477 -5.243 -4.065 1.00 0.00 H new ATOM 785 N ASP A 50 -12.807 -4.471 -2.841 1.00 0.00 N ATOM 786 CA ASP A 50 -13.422 -4.425 -1.525 1.00 0.00 C ATOM 787 C ASP A 50 -12.729 -5.435 -0.607 1.00 0.00 C ATOM 788 O ASP A 50 -12.521 -6.585 -0.990 1.00 0.00 O ATOM 789 CB ASP A 50 -14.906 -4.792 -1.598 1.00 0.00 C ATOM 790 CG ASP A 50 -15.871 -3.612 -1.481 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.526 -2.668 -0.737 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.933 -3.679 -2.138 1.00 0.00 O ATOM 0 H ASP A 50 -13.312 -5.030 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.320 -3.410 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.092 -5.302 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.128 -5.504 -0.803 1.00 0.00 H new ATOM 797 N PRO A 51 -12.384 -4.955 0.618 1.00 0.00 N ATOM 798 CA PRO A 51 -11.720 -5.803 1.593 1.00 0.00 C ATOM 799 C PRO A 51 -12.704 -6.792 2.220 1.00 0.00 C ATOM 800 O PRO A 51 -12.333 -7.570 3.098 1.00 0.00 O ATOM 801 CB PRO A 51 -11.119 -4.841 2.605 1.00 0.00 C ATOM 802 CG PRO A 51 -11.857 -3.526 2.419 1.00 0.00 C ATOM 803 CD PRO A 51 -12.617 -3.598 1.104 1.00 0.00 C ATOM 0 HA PRO A 51 -10.946 -6.429 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.240 -5.217 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.049 -4.716 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.544 -3.354 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.155 -2.693 2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.680 -3.406 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.253 -2.855 0.395 1.00 0.00 H new ATOM 811 N GLN A 52 -13.938 -6.733 1.743 1.00 0.00 N ATOM 812 CA GLN A 52 -14.978 -7.615 2.245 1.00 0.00 C ATOM 813 C GLN A 52 -14.883 -8.985 1.573 1.00 0.00 C ATOM 814 O GLN A 52 -15.500 -9.948 2.027 1.00 0.00 O ATOM 815 CB GLN A 52 -16.364 -6.999 2.042 1.00 0.00 C ATOM 816 CG GLN A 52 -17.462 -7.949 2.526 1.00 0.00 C ATOM 817 CD GLN A 52 -18.218 -8.560 1.344 1.00 0.00 C ATOM 818 OE1 GLN A 52 -17.665 -9.270 0.521 1.00 0.00 O ATOM 819 NE2 GLN A 52 -19.510 -8.245 1.307 1.00 0.00 N ATOM 0 H GLN A 52 -14.242 -6.088 1.014 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.829 -7.747 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.430 -6.055 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.514 -6.772 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.021 -8.742 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.158 -7.409 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.910 -7.645 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.101 -8.604 0.557 1.00 0.00 H new ATOM 828 N ALA A 53 -14.106 -9.030 0.500 1.00 0.00 N ATOM 829 CA ALA A 53 -13.921 -10.266 -0.240 1.00 0.00 C ATOM 830 C ALA A 53 -12.854 -11.116 0.452 1.00 0.00 C ATOM 831 O ALA A 53 -11.754 -10.636 0.724 1.00 0.00 O ATOM 832 CB ALA A 53 -13.560 -9.944 -1.691 1.00 0.00 C ATOM 0 H ALA A 53 -13.597 -8.229 0.126 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.844 -10.845 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.421 -10.872 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.364 -9.366 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.637 -9.365 -1.716 1.00 0.00 H new ATOM 838 N THR A 54 -13.214 -12.363 0.717 1.00 0.00 N ATOM 839 CA THR A 54 -12.300 -13.284 1.371 1.00 0.00 C ATOM 840 C THR A 54 -11.153 -13.656 0.430 1.00 0.00 C ATOM 841 O THR A 54 -9.997 -13.716 0.847 1.00 0.00 O ATOM 842 CB THR A 54 -13.108 -14.491 1.852 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.724 -14.039 3.055 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.217 -15.650 2.302 1.00 0.00 C ATOM 0 H THR A 54 -14.127 -12.758 0.490 1.00 0.00 H new ATOM 0 HA THR A 54 -11.829 -12.823 2.239 1.00 0.00 H new ATOM 0 HB THR A 54 -13.767 -14.829 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.270 -14.760 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.840 -16.481 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.593 -15.974 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.582 -15.322 3.125 1.00 0.00 H new ATOM 852 N TRP A 55 -11.512 -13.897 -0.822 1.00 0.00 N ATOM 853 CA TRP A 55 -10.528 -14.263 -1.826 1.00 0.00 C ATOM 854 C TRP A 55 -9.515 -13.121 -1.934 1.00 0.00 C ATOM 855 O TRP A 55 -8.319 -13.361 -2.087 1.00 0.00 O ATOM 856 CB TRP A 55 -11.201 -14.592 -3.160 1.00 0.00 C ATOM 857 CG TRP A 55 -11.469 -13.370 -4.041 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.623 -12.710 -4.209 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.510 -12.683 -4.873 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.478 -11.653 -5.084 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.153 -11.636 -5.501 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.143 -12.939 -5.088 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.510 -10.762 -6.385 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.515 -12.055 -5.974 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.149 -10.996 -6.614 1.00 0.00 C ATOM 0 H TRP A 55 -12.472 -13.846 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.000 -15.171 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.572 -15.292 -3.710 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.146 -15.099 -2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.550 -12.972 -3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.210 -11.003 -5.372 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.620 -13.753 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.036 -9.950 -6.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.465 -12.206 -6.174 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.594 -10.357 -7.285 1.00 0.00 H new ATOM 876 N VAL A 56 -10.033 -11.904 -1.849 1.00 0.00 N ATOM 877 CA VAL A 56 -9.189 -10.724 -1.934 1.00 0.00 C ATOM 878 C VAL A 56 -8.238 -10.696 -0.737 1.00 0.00 C ATOM 879 O VAL A 56 -7.033 -10.506 -0.901 1.00 0.00 O ATOM 880 CB VAL A 56 -10.055 -9.468 -2.039 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.201 -8.202 -1.935 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.873 -9.472 -3.333 1.00 0.00 C ATOM 0 H VAL A 56 -11.026 -11.710 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.577 -10.756 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.752 -9.472 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.842 -7.324 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.683 -8.190 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.469 -8.190 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.480 -8.568 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.199 -9.504 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.523 -10.347 -3.350 1.00 0.00 H new ATOM 892 N ARG A 57 -8.813 -10.888 0.441 1.00 0.00 N ATOM 893 CA ARG A 57 -8.031 -10.886 1.666 1.00 0.00 C ATOM 894 C ARG A 57 -7.095 -12.096 1.699 1.00 0.00 C ATOM 895 O ARG A 57 -5.989 -12.016 2.233 1.00 0.00 O ATOM 896 CB ARG A 57 -8.938 -10.917 2.898 1.00 0.00 C ATOM 897 CG ARG A 57 -9.044 -9.530 3.535 1.00 0.00 C ATOM 898 CD ARG A 57 -9.990 -9.550 4.737 1.00 0.00 C ATOM 899 NE ARG A 57 -9.259 -9.973 5.951 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.093 -11.250 6.321 1.00 0.00 C ATOM 901 NH1 ARG A 57 -9.604 -12.237 5.572 1.00 0.00 N ATOM 902 NH2 ARG A 57 -8.414 -11.541 7.439 1.00 0.00 N ATOM 0 H ARG A 57 -9.812 -11.046 0.573 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.444 -9.968 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.930 -11.268 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.545 -11.627 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.056 -9.194 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.403 -8.813 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.420 -8.560 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.819 -10.231 4.546 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.856 -9.247 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.119 -12.016 4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.477 -13.209 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.023 -10.790 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.288 -12.513 7.721 1.00 0.00 H new ATOM 916 N ASP A 58 -7.572 -13.189 1.122 1.00 0.00 N ATOM 917 CA ASP A 58 -6.791 -14.414 1.079 1.00 0.00 C ATOM 918 C ASP A 58 -5.530 -14.181 0.246 1.00 0.00 C ATOM 919 O ASP A 58 -4.434 -14.566 0.650 1.00 0.00 O ATOM 920 CB ASP A 58 -7.584 -15.550 0.429 1.00 0.00 C ATOM 921 CG ASP A 58 -7.134 -16.959 0.820 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.107 -17.402 0.262 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.827 -17.561 1.669 1.00 0.00 O ATOM 0 H ASP A 58 -8.489 -13.252 0.680 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.539 -14.690 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.636 -15.435 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.513 -15.449 -0.654 1.00 0.00 H new ATOM 928 N VAL A 59 -5.727 -13.552 -0.904 1.00 0.00 N ATOM 929 CA VAL A 59 -4.619 -13.263 -1.798 1.00 0.00 C ATOM 930 C VAL A 59 -3.740 -12.174 -1.179 1.00 0.00 C ATOM 931 O VAL A 59 -2.522 -12.181 -1.353 1.00 0.00 O ATOM 932 CB VAL A 59 -5.148 -12.888 -3.184 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.985 -14.023 -3.777 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.951 -11.586 -3.129 1.00 0.00 C ATOM 0 H VAL A 59 -6.637 -13.235 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.996 -14.147 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.291 -12.727 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.349 -13.731 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.371 -14.919 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.833 -14.230 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.316 -11.341 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.797 -11.709 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.312 -10.780 -2.768 1.00 0.00 H new ATOM 944 N VAL A 60 -4.391 -11.264 -0.469 1.00 0.00 N ATOM 945 CA VAL A 60 -3.685 -10.172 0.176 1.00 0.00 C ATOM 946 C VAL A 60 -2.608 -10.742 1.102 1.00 0.00 C ATOM 947 O VAL A 60 -1.492 -10.227 1.153 1.00 0.00 O ATOM 948 CB VAL A 60 -4.678 -9.263 0.903 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.950 -8.281 1.824 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.574 -8.523 -0.091 1.00 0.00 C ATOM 0 H VAL A 60 -5.401 -11.261 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.181 -9.553 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.316 -9.893 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.679 -7.647 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.376 -8.836 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.276 -7.660 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.270 -7.884 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.958 -7.911 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.133 -9.246 -0.685 1.00 0.00 H new ATOM 960 N ARG A 61 -2.981 -11.798 1.811 1.00 0.00 N ATOM 961 CA ARG A 61 -2.061 -12.444 2.731 1.00 0.00 C ATOM 962 C ARG A 61 -0.823 -12.941 1.983 1.00 0.00 C ATOM 963 O ARG A 61 0.271 -12.976 2.542 1.00 0.00 O ATOM 964 CB ARG A 61 -2.730 -13.625 3.440 1.00 0.00 C ATOM 965 CG ARG A 61 -2.650 -14.892 2.585 1.00 0.00 C ATOM 966 CD ARG A 61 -1.507 -15.796 3.053 1.00 0.00 C ATOM 967 NE ARG A 61 -2.040 -16.890 3.895 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.376 -18.023 4.165 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.151 -18.218 3.659 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.938 -18.960 4.940 1.00 0.00 N ATOM 0 H ARG A 61 -3.908 -12.222 1.766 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.766 -11.707 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.246 -13.799 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.773 -13.386 3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.594 -15.434 2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.500 -14.621 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.984 -16.211 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.779 -15.213 3.617 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.971 -16.775 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.276 -17.505 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.354 -19.080 3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.871 -18.811 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.433 -19.822 5.145 1.00 0.00 H new ATOM 984 N SER A 62 -1.038 -13.315 0.731 1.00 0.00 N ATOM 985 CA SER A 62 0.047 -13.808 -0.101 1.00 0.00 C ATOM 986 C SER A 62 0.925 -12.644 -0.560 1.00 0.00 C ATOM 987 O SER A 62 2.150 -12.756 -0.583 1.00 0.00 O ATOM 988 CB SER A 62 -0.490 -14.577 -1.309 1.00 0.00 C ATOM 989 OG SER A 62 0.421 -15.580 -1.751 1.00 0.00 O ATOM 0 H SER A 62 -1.948 -13.287 0.272 1.00 0.00 H new ATOM 0 HA SER A 62 0.648 -14.495 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.442 -15.041 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.686 -13.881 -2.124 1.00 0.00 H new ATOM 0 HG SER A 62 0.041 -16.050 -2.523 1.00 0.00 H new ATOM 995 N MET A 63 0.266 -11.551 -0.916 1.00 0.00 N ATOM 996 CA MET A 63 0.971 -10.367 -1.374 1.00 0.00 C ATOM 997 C MET A 63 2.237 -10.128 -0.550 1.00 0.00 C ATOM 998 O MET A 63 3.302 -9.861 -1.103 1.00 0.00 O ATOM 999 CB MET A 63 0.051 -9.149 -1.262 1.00 0.00 C ATOM 1000 CG MET A 63 -1.165 -9.293 -2.179 1.00 0.00 C ATOM 1001 SD MET A 63 -0.632 -9.503 -3.870 1.00 0.00 S ATOM 1002 CE MET A 63 0.444 -8.088 -4.035 1.00 0.00 C ATOM 0 H MET A 63 -0.750 -11.461 -0.896 1.00 0.00 H new ATOM 0 HA MET A 63 1.261 -10.520 -2.413 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.279 -9.032 -0.230 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.603 -8.247 -1.524 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.765 -10.148 -1.869 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.800 -8.411 -2.096 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.781 -8.006 -5.068 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.098 -7.184 -3.757 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.307 -8.209 -3.380 1.00 0.00 H new ATOM 1012 N ASP A 64 2.079 -10.235 0.761 1.00 0.00 N ATOM 1013 CA ASP A 64 3.196 -10.035 1.668 1.00 0.00 C ATOM 1014 C ASP A 64 4.309 -11.027 1.326 1.00 0.00 C ATOM 1015 O ASP A 64 5.479 -10.653 1.252 1.00 0.00 O ATOM 1016 CB ASP A 64 2.778 -10.275 3.120 1.00 0.00 C ATOM 1017 CG ASP A 64 3.371 -9.297 4.135 1.00 0.00 C ATOM 1018 OD1 ASP A 64 3.849 -8.233 3.686 1.00 0.00 O ATOM 1019 OD2 ASP A 64 3.334 -9.636 5.339 1.00 0.00 O ATOM 0 H ASP A 64 1.194 -10.458 1.217 1.00 0.00 H new ATOM 0 HA ASP A 64 3.539 -9.006 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.691 -10.224 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.067 -11.287 3.402 1.00 0.00 H new ATOM 1024 N ARG A 65 3.907 -12.274 1.129 1.00 0.00 N ATOM 1025 CA ARG A 65 4.854 -13.323 0.798 1.00 0.00 C ATOM 1026 C ARG A 65 5.373 -13.138 -0.630 1.00 0.00 C ATOM 1027 O ARG A 65 6.529 -13.443 -0.919 1.00 0.00 O ATOM 1028 CB ARG A 65 4.213 -14.706 0.925 1.00 0.00 C ATOM 1029 CG ARG A 65 4.991 -15.748 0.117 1.00 0.00 C ATOM 1030 CD ARG A 65 4.947 -17.116 0.801 1.00 0.00 C ATOM 1031 NE ARG A 65 4.340 -18.116 -0.104 1.00 0.00 N ATOM 1032 CZ ARG A 65 3.020 -18.317 -0.223 1.00 0.00 C ATOM 1033 NH1 ARG A 65 2.162 -17.590 0.506 1.00 0.00 N ATOM 1034 NH2 ARG A 65 2.558 -19.246 -1.071 1.00 0.00 N ATOM 0 H ARG A 65 2.936 -12.581 1.193 1.00 0.00 H new ATOM 0 HA ARG A 65 5.683 -13.254 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.183 -15.002 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.181 -14.666 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.570 -15.825 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.026 -15.427 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.955 -17.427 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.371 -17.052 1.724 1.00 0.00 H new ATOM 0 HE ARG A 65 4.964 -18.688 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.513 -16.883 1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.158 -17.744 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.211 -19.800 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.554 -19.399 -1.162 1.00 0.00 H new ATOM 1048 N LYS A 66 4.492 -12.640 -1.485 1.00 0.00 N ATOM 1049 CA LYS A 66 4.847 -12.410 -2.875 1.00 0.00 C ATOM 1050 C LYS A 66 5.804 -11.219 -2.964 1.00 0.00 C ATOM 1051 O LYS A 66 6.714 -11.210 -3.792 1.00 0.00 O ATOM 1052 CB LYS A 66 3.588 -12.251 -3.730 1.00 0.00 C ATOM 1053 CG LYS A 66 3.195 -13.580 -4.379 1.00 0.00 C ATOM 1054 CD LYS A 66 4.174 -13.957 -5.492 1.00 0.00 C ATOM 1055 CE LYS A 66 3.852 -13.203 -6.784 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.097 -12.742 -7.439 1.00 0.00 N ATOM 0 H LYS A 66 3.534 -12.389 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 66 5.374 -13.274 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.767 -11.887 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.761 -11.502 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.177 -14.366 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.187 -13.506 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.193 -13.729 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.129 -15.031 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.296 -13.851 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.212 -12.349 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.861 -12.232 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.612 -12.107 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.694 -13.563 -7.667 1.00 0.00 H new ATOM 1070 N SER A 67 5.566 -10.244 -2.100 1.00 0.00 N ATOM 1071 CA SER A 67 6.395 -9.051 -2.070 1.00 0.00 C ATOM 1072 C SER A 67 7.270 -9.054 -0.814 1.00 0.00 C ATOM 1073 O SER A 67 7.481 -8.010 -0.199 1.00 0.00 O ATOM 1074 CB SER A 67 5.540 -7.784 -2.118 1.00 0.00 C ATOM 1075 OG SER A 67 6.283 -6.624 -1.755 1.00 0.00 O ATOM 0 H SER A 67 4.810 -10.255 -1.415 1.00 0.00 H new ATOM 0 HA SER A 67 7.035 -9.057 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.137 -7.657 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.690 -7.895 -1.445 1.00 0.00 H new ATOM 0 HG SER A 67 6.640 -6.734 -0.849 1.00 0.00 H new ATOM 1081 N ASN A 68 7.755 -10.238 -0.472 1.00 0.00 N ATOM 1082 CA ASN A 68 8.602 -10.390 0.699 1.00 0.00 C ATOM 1083 C ASN A 68 10.015 -10.774 0.254 1.00 0.00 C ATOM 1084 O ASN A 68 10.965 -10.025 0.480 1.00 0.00 O ATOM 1085 CB ASN A 68 8.078 -11.495 1.617 1.00 0.00 C ATOM 1086 CG ASN A 68 7.670 -10.930 2.980 1.00 0.00 C ATOM 1087 OD1 ASN A 68 8.243 -11.540 4.012 1.00 0.00 O flip ATOM 1088 ND2 ASN A 68 6.887 -10.000 3.085 1.00 0.00 N flip ATOM 0 H ASN A 68 7.578 -11.101 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 68 8.604 -9.443 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.222 -11.984 1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.846 -12.256 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.483 -9.577 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.637 -9.646 4.008 1.00 0.00 H new ATOM 1095 N THR A 69 10.109 -11.940 -0.368 1.00 0.00 N ATOM 1096 CA THR A 69 11.390 -12.431 -0.845 1.00 0.00 C ATOM 1097 C THR A 69 12.119 -11.342 -1.634 1.00 0.00 C ATOM 1098 O THR A 69 13.348 -11.288 -1.634 1.00 0.00 O ATOM 1099 CB THR A 69 11.135 -13.703 -1.657 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.388 -13.975 -2.279 1.00 0.00 O ATOM 1101 CG2 THR A 69 10.181 -13.467 -2.830 1.00 0.00 C ATOM 0 H THR A 69 9.319 -12.559 -0.552 1.00 0.00 H new ATOM 0 HA THR A 69 12.051 -12.684 -0.016 1.00 0.00 H new ATOM 0 HB THR A 69 10.725 -14.474 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.313 -14.786 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.034 -14.401 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.222 -13.111 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.607 -12.720 -3.501 1.00 0.00 H new ATOM 1109 N ARG A 70 11.331 -10.502 -2.288 1.00 0.00 N ATOM 1110 CA ARG A 70 11.886 -9.417 -3.080 1.00 0.00 C ATOM 1111 C ARG A 70 12.908 -8.629 -2.258 1.00 0.00 C ATOM 1112 O ARG A 70 13.800 -7.993 -2.816 1.00 0.00 O ATOM 1113 CB ARG A 70 10.787 -8.467 -3.559 1.00 0.00 C ATOM 1114 CG ARG A 70 10.898 -8.216 -5.065 1.00 0.00 C ATOM 1115 CD ARG A 70 11.038 -6.721 -5.362 1.00 0.00 C ATOM 1116 NE ARG A 70 12.003 -6.512 -6.464 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.702 -6.653 -7.762 1.00 0.00 C ATOM 1118 NH1 ARG A 70 10.462 -7.003 -8.129 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.642 -6.443 -8.694 1.00 0.00 N ATOM 0 H ARG A 70 10.312 -10.550 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 70 12.375 -9.857 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.809 -8.890 -3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.860 -7.521 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.759 -8.752 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.015 -8.610 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.068 -6.303 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.374 -6.194 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 70 12.957 -6.244 -6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.746 -7.162 -7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.234 -7.110 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.586 -6.176 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.413 -6.550 -9.682 1.00 0.00 H new ATOM 1133 N ASN A 71 12.744 -8.699 -0.945 1.00 0.00 N ATOM 1134 CA ASN A 71 13.642 -8.000 -0.040 1.00 0.00 C ATOM 1135 C ASN A 71 15.076 -8.122 -0.559 1.00 0.00 C ATOM 1136 O ASN A 71 15.597 -7.194 -1.176 1.00 0.00 O ATOM 1137 CB ASN A 71 13.593 -8.609 1.363 1.00 0.00 C ATOM 1138 CG ASN A 71 12.769 -7.735 2.310 1.00 0.00 C ATOM 1139 OD1 ASN A 71 12.919 -6.525 2.369 1.00 0.00 O ATOM 1140 ND2 ASN A 71 11.893 -8.412 3.047 1.00 0.00 N ATOM 0 H ASN A 71 12.003 -9.229 -0.486 1.00 0.00 H new ATOM 0 HA ASN A 71 13.329 -6.957 0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.160 -9.608 1.315 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.605 -8.719 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.296 -7.919 3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.818 -9.424 2.948 1.00 0.00 H new ATOM 1147 N ASN A 72 15.674 -9.272 -0.287 1.00 0.00 N ATOM 1148 CA ASN A 72 17.038 -9.527 -0.718 1.00 0.00 C ATOM 1149 C ASN A 72 17.107 -10.895 -1.401 1.00 0.00 C ATOM 1150 O ASN A 72 18.193 -11.426 -1.626 1.00 0.00 O ATOM 1151 CB ASN A 72 17.999 -9.545 0.473 1.00 0.00 C ATOM 1152 CG ASN A 72 17.895 -8.248 1.280 1.00 0.00 C ATOM 1153 OD1 ASN A 72 17.216 -8.168 2.290 1.00 0.00 O ATOM 1154 ND2 ASN A 72 18.603 -7.241 0.778 1.00 0.00 N ATOM 0 H ASN A 72 15.239 -10.038 0.227 1.00 0.00 H new ATOM 0 HA ASN A 72 17.328 -8.731 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.773 -10.396 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.021 -9.676 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.599 -6.333 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.150 -7.376 -0.072 1.00 0.00 H new ATOM 1161 N MET A 73 15.933 -11.425 -1.709 1.00 0.00 N ATOM 1162 CA MET A 73 15.845 -12.721 -2.361 1.00 0.00 C ATOM 1163 C MET A 73 16.895 -13.686 -1.806 1.00 0.00 C ATOM 1164 O MET A 73 16.637 -14.396 -0.834 1.00 0.00 O ATOM 1165 CB MET A 73 16.057 -12.551 -3.867 1.00 0.00 C ATOM 1166 CG MET A 73 16.795 -11.246 -4.173 1.00 0.00 C ATOM 1167 SD MET A 73 16.871 -10.987 -5.938 1.00 0.00 S ATOM 1168 CE MET A 73 17.160 -12.662 -6.484 1.00 0.00 C ATOM 0 H MET A 73 15.035 -10.981 -1.519 1.00 0.00 H new ATOM 0 HA MET A 73 14.856 -13.137 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.627 -13.395 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 73 15.093 -12.556 -4.376 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.284 -10.409 -3.696 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.803 -11.283 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.479 -12.655 -7.526 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.938 -13.116 -5.870 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.240 -13.239 -6.390 1.00 0.00 H new ATOM 1178 N ILE A 74 18.055 -13.682 -2.445 1.00 0.00 N ATOM 1179 CA ILE A 74 19.144 -14.549 -2.026 1.00 0.00 C ATOM 1180 C ILE A 74 20.473 -13.813 -2.206 1.00 0.00 C ATOM 1181 O ILE A 74 20.515 -12.734 -2.797 1.00 0.00 O ATOM 1182 CB ILE A 74 19.078 -15.887 -2.765 1.00 0.00 C ATOM 1183 CG1 ILE A 74 19.121 -15.680 -4.280 1.00 0.00 C ATOM 1184 CG2 ILE A 74 17.851 -16.692 -2.331 1.00 0.00 C ATOM 1185 CD1 ILE A 74 19.984 -16.748 -4.955 1.00 0.00 C ATOM 0 H ILE A 74 18.265 -13.092 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 74 19.053 -14.791 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 74 19.959 -16.470 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.109 -15.716 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.519 -14.690 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.827 -17.639 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.904 -16.886 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.947 -16.125 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.998 -16.578 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 74 21.001 -16.693 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.569 -17.735 -4.749 1.00 0.00 H new ATOM 1197 N GLN A 75 21.526 -14.424 -1.685 1.00 0.00 N ATOM 1198 CA GLN A 75 22.853 -13.841 -1.781 1.00 0.00 C ATOM 1199 C GLN A 75 23.873 -14.905 -2.190 1.00 0.00 C ATOM 1200 O GLN A 75 24.585 -15.445 -1.345 1.00 0.00 O ATOM 1201 CB GLN A 75 23.255 -13.175 -0.462 1.00 0.00 C ATOM 1202 CG GLN A 75 22.855 -11.698 -0.450 1.00 0.00 C ATOM 1203 CD GLN A 75 24.077 -10.801 -0.242 1.00 0.00 C ATOM 1204 OE1 GLN A 75 24.941 -10.675 -1.094 1.00 0.00 O ATOM 1205 NE2 GLN A 75 24.101 -10.185 0.937 1.00 0.00 N ATOM 0 H GLN A 75 21.487 -15.318 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 75 22.835 -13.069 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 75 22.778 -13.692 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 75 24.332 -13.265 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 75 22.367 -11.442 -1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 75 22.130 -11.520 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 75 23.345 -10.334 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 75 24.875 -9.564 1.172 1.00 0.00 H new ATOM 1214 N THR A 76 23.911 -15.175 -3.486 1.00 0.00 N ATOM 1215 CA THR A 76 24.832 -16.165 -4.019 1.00 0.00 C ATOM 1216 C THR A 76 26.218 -15.993 -3.395 1.00 0.00 C ATOM 1217 O THR A 76 26.655 -14.870 -3.145 1.00 0.00 O ATOM 1218 CB THR A 76 24.830 -16.041 -5.543 1.00 0.00 C ATOM 1219 OG1 THR A 76 25.125 -14.668 -5.780 1.00 0.00 O ATOM 1220 CG2 THR A 76 23.436 -16.234 -6.145 1.00 0.00 C ATOM 0 H THR A 76 23.318 -14.725 -4.184 1.00 0.00 H new ATOM 0 HA THR A 76 24.518 -17.177 -3.762 1.00 0.00 H new ATOM 0 HB THR A 76 25.513 -16.777 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.145 -14.500 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 76 23.491 -16.136 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 76 23.063 -17.226 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 76 22.760 -15.478 -5.746 1.00 0.00 H new ATOM 1228 N LYS A 77 26.872 -17.122 -3.163 1.00 0.00 N ATOM 1229 CA LYS A 77 28.201 -17.108 -2.575 1.00 0.00 C ATOM 1230 C LYS A 77 29.241 -16.914 -3.680 1.00 0.00 C ATOM 1231 O LYS A 77 28.952 -17.132 -4.855 1.00 0.00 O ATOM 1232 CB LYS A 77 28.425 -18.366 -1.734 1.00 0.00 C ATOM 1233 CG LYS A 77 28.040 -18.125 -0.273 1.00 0.00 C ATOM 1234 CD LYS A 77 27.085 -19.211 0.229 1.00 0.00 C ATOM 1235 CE LYS A 77 27.739 -20.051 1.328 1.00 0.00 C ATOM 1236 NZ LYS A 77 28.632 -21.073 0.737 1.00 0.00 N ATOM 0 H LYS A 77 26.507 -18.051 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 77 28.306 -16.268 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 77 27.834 -19.188 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 77 29.471 -18.666 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 77 28.937 -18.111 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 77 27.569 -17.147 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.174 -18.751 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.793 -19.855 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.308 -19.406 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.970 -20.536 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.068 -21.634 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.080 -21.699 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 29.376 -20.604 0.182 1.00 0.00 H new ATOM 1250 N PRO A 78 30.462 -16.493 -3.251 1.00 0.00 N ATOM 1251 CA PRO A 78 31.548 -16.266 -4.191 1.00 0.00 C ATOM 1252 C PRO A 78 32.136 -17.592 -4.679 1.00 0.00 C ATOM 1253 O PRO A 78 32.064 -18.602 -3.981 1.00 0.00 O ATOM 1254 CB PRO A 78 32.551 -15.414 -3.433 1.00 0.00 C ATOM 1255 CG PRO A 78 32.215 -15.583 -1.961 1.00 0.00 C ATOM 1256 CD PRO A 78 30.840 -16.225 -1.867 1.00 0.00 C ATOM 0 HA PRO A 78 31.221 -15.759 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 78 33.572 -15.736 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 78 32.480 -14.368 -3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 78 32.962 -16.206 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 78 32.221 -14.618 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 78 30.871 -17.143 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 78 30.125 -15.560 -1.383 1.00 0.00 H new ATOM 1264 N THR A 79 32.705 -17.545 -5.875 1.00 0.00 N ATOM 1265 CA THR A 79 33.306 -18.729 -6.465 1.00 0.00 C ATOM 1266 C THR A 79 34.105 -19.501 -5.414 1.00 0.00 C ATOM 1267 O THR A 79 34.431 -18.962 -4.357 1.00 0.00 O ATOM 1268 CB THR A 79 34.147 -18.285 -7.664 1.00 0.00 C ATOM 1269 OG1 THR A 79 33.373 -17.251 -8.266 1.00 0.00 O ATOM 1270 CG2 THR A 79 34.236 -19.362 -8.746 1.00 0.00 C ATOM 0 H THR A 79 32.762 -16.705 -6.451 1.00 0.00 H new ATOM 0 HA THR A 79 32.545 -19.423 -6.823 1.00 0.00 H new ATOM 0 HB THR A 79 35.151 -18.024 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 79 33.845 -16.904 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 79 34.843 -18.997 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 79 34.693 -20.260 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 79 33.235 -19.599 -9.107 1.00 0.00 H new ATOM 1278 N GLY A 80 34.398 -20.751 -5.741 1.00 0.00 N ATOM 1279 CA GLY A 80 35.154 -21.603 -4.838 1.00 0.00 C ATOM 1280 C GLY A 80 34.423 -22.923 -4.590 1.00 0.00 C ATOM 1281 O GLY A 80 33.547 -23.000 -3.728 1.00 0.00 O ATOM 0 H GLY A 80 34.126 -21.194 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 80 36.139 -21.802 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 80 35.311 -21.087 -3.891 1.00 0.00 H new ATOM 1285 N THR A 81 34.808 -23.931 -5.359 1.00 0.00 N ATOM 1286 CA THR A 81 34.201 -25.244 -5.234 1.00 0.00 C ATOM 1287 C THR A 81 35.150 -26.205 -4.515 1.00 0.00 C ATOM 1288 O THR A 81 36.276 -25.838 -4.183 1.00 0.00 O ATOM 1289 CB THR A 81 33.803 -25.717 -6.633 1.00 0.00 C ATOM 1290 OG1 THR A 81 33.180 -24.578 -7.220 1.00 0.00 O ATOM 1291 CG2 THR A 81 32.695 -26.773 -6.602 1.00 0.00 C ATOM 0 H THR A 81 35.534 -23.864 -6.072 1.00 0.00 H new ATOM 0 HA THR A 81 33.301 -25.206 -4.620 1.00 0.00 H new ATOM 0 HB THR A 81 34.678 -26.124 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 81 32.892 -24.796 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 81 32.451 -27.074 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 81 33.036 -27.642 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 81 31.808 -26.356 -6.124 1.00 0.00 H new ATOM 1299 N GLN A 82 34.661 -27.417 -4.297 1.00 0.00 N ATOM 1300 CA GLN A 82 35.452 -28.433 -3.624 1.00 0.00 C ATOM 1301 C GLN A 82 36.196 -29.292 -4.649 1.00 0.00 C ATOM 1302 O GLN A 82 35.869 -29.272 -5.834 1.00 0.00 O ATOM 1303 CB GLN A 82 34.576 -29.298 -2.715 1.00 0.00 C ATOM 1304 CG GLN A 82 34.972 -29.129 -1.248 1.00 0.00 C ATOM 1305 CD GLN A 82 34.019 -29.897 -0.330 1.00 0.00 C ATOM 1306 OE1 GLN A 82 32.817 -29.934 -0.533 1.00 0.00 O ATOM 1307 NE2 GLN A 82 34.620 -30.506 0.688 1.00 0.00 N ATOM 0 H GLN A 82 33.727 -27.718 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 82 36.189 -27.934 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 82 33.529 -29.025 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 82 34.671 -30.345 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 82 35.991 -29.485 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 82 34.963 -28.071 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 82 35.631 -30.435 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 82 34.070 -31.045 1.357 1.00 0.00 H new ATOM 1316 N GLN A 83 37.181 -30.027 -4.154 1.00 0.00 N ATOM 1317 CA GLN A 83 37.974 -30.891 -5.012 1.00 0.00 C ATOM 1318 C GLN A 83 38.294 -32.203 -4.294 1.00 0.00 C ATOM 1319 O GLN A 83 38.289 -32.260 -3.065 1.00 0.00 O ATOM 1320 CB GLN A 83 39.254 -30.188 -5.467 1.00 0.00 C ATOM 1321 CG GLN A 83 39.624 -30.592 -6.895 1.00 0.00 C ATOM 1322 CD GLN A 83 39.121 -29.559 -7.905 1.00 0.00 C ATOM 1323 OE1 GLN A 83 37.973 -29.564 -8.318 1.00 0.00 O ATOM 1324 NE2 GLN A 83 40.042 -28.675 -8.278 1.00 0.00 N ATOM 0 H GLN A 83 37.448 -30.042 -3.170 1.00 0.00 H new ATOM 0 HA GLN A 83 37.389 -31.120 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 83 39.118 -29.108 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 83 40.071 -30.440 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 83 40.706 -30.692 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 83 39.195 -31.568 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 83 40.985 -28.728 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 83 39.805 -27.944 -8.949 1.00 0.00 H new ATOM 1333 N SER A 84 38.565 -33.226 -5.091 1.00 0.00 N ATOM 1334 CA SER A 84 38.886 -34.535 -4.545 1.00 0.00 C ATOM 1335 C SER A 84 40.100 -35.119 -5.270 1.00 0.00 C ATOM 1336 O SER A 84 40.201 -35.031 -6.493 1.00 0.00 O ATOM 1337 CB SER A 84 37.693 -35.486 -4.657 1.00 0.00 C ATOM 1338 OG SER A 84 37.593 -36.352 -3.530 1.00 0.00 O ATOM 0 H SER A 84 38.569 -33.176 -6.110 1.00 0.00 H new ATOM 0 HA SER A 84 39.123 -34.417 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 84 36.775 -34.906 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 84 37.788 -36.082 -5.565 1.00 0.00 H new ATOM 0 HG SER A 84 36.818 -36.942 -3.639 1.00 0.00 H new ATOM 1344 N THR A 85 40.993 -35.703 -4.485 1.00 0.00 N ATOM 1345 CA THR A 85 42.197 -36.302 -5.035 1.00 0.00 C ATOM 1346 C THR A 85 41.854 -37.578 -5.805 1.00 0.00 C ATOM 1347 O THR A 85 41.297 -38.518 -5.240 1.00 0.00 O ATOM 1348 CB THR A 85 43.181 -36.531 -3.886 1.00 0.00 C ATOM 1349 OG1 THR A 85 42.462 -37.358 -2.975 1.00 0.00 O ATOM 1350 CG2 THR A 85 43.459 -35.255 -3.089 1.00 0.00 C ATOM 0 H THR A 85 40.907 -35.774 -3.471 1.00 0.00 H new ATOM 0 HA THR A 85 42.671 -35.640 -5.760 1.00 0.00 H new ATOM 0 HB THR A 85 44.118 -36.922 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 85 41.810 -37.899 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 85 44.163 -35.474 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 85 43.885 -34.499 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 85 42.528 -34.882 -2.663 1.00 0.00 H new ATOM 1358 N ASN A 86 42.201 -37.572 -7.083 1.00 0.00 N ATOM 1359 CA ASN A 86 41.937 -38.718 -7.937 1.00 0.00 C ATOM 1360 C ASN A 86 42.727 -39.924 -7.424 1.00 0.00 C ATOM 1361 O ASN A 86 43.679 -39.768 -6.661 1.00 0.00 O ATOM 1362 CB ASN A 86 42.373 -38.445 -9.377 1.00 0.00 C ATOM 1363 CG ASN A 86 43.852 -38.060 -9.438 1.00 0.00 C ATOM 1364 OD1 ASN A 86 44.218 -36.896 -9.420 1.00 0.00 O ATOM 1365 ND2 ASN A 86 44.680 -39.098 -9.510 1.00 0.00 N ATOM 0 H ASN A 86 42.663 -36.791 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 86 40.865 -38.913 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 86 42.199 -39.331 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 86 41.767 -37.643 -9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 86 45.687 -38.945 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 86 44.308 -40.048 -9.521 1.00 0.00 H new ATOM 1372 N THR A 87 42.302 -41.099 -7.863 1.00 0.00 N ATOM 1373 CA THR A 87 42.959 -42.331 -7.458 1.00 0.00 C ATOM 1374 C THR A 87 44.150 -42.625 -8.371 1.00 0.00 C ATOM 1375 O THR A 87 44.343 -41.953 -9.383 1.00 0.00 O ATOM 1376 CB THR A 87 41.910 -43.445 -7.448 1.00 0.00 C ATOM 1377 OG1 THR A 87 41.462 -43.510 -8.800 1.00 0.00 O ATOM 1378 CG2 THR A 87 40.657 -43.063 -6.657 1.00 0.00 C ATOM 0 H THR A 87 41.511 -41.225 -8.495 1.00 0.00 H new ATOM 0 HA THR A 87 43.374 -42.247 -6.453 1.00 0.00 H new ATOM 0 HB THR A 87 42.344 -44.350 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 87 40.780 -44.209 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 87 39.945 -43.888 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 87 40.930 -42.850 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 87 40.202 -42.178 -7.102 1.00 0.00 H new ATOM 1386 N ALA A 88 44.920 -43.631 -7.981 1.00 0.00 N ATOM 1387 CA ALA A 88 46.087 -44.024 -8.752 1.00 0.00 C ATOM 1388 C ALA A 88 46.607 -45.366 -8.234 1.00 0.00 C ATOM 1389 O ALA A 88 47.527 -45.406 -7.418 1.00 0.00 O ATOM 1390 CB ALA A 88 47.144 -42.920 -8.676 1.00 0.00 C ATOM 0 H ALA A 88 44.758 -44.186 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 88 45.827 -44.155 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 88 48.020 -43.214 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 88 46.734 -41.995 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 88 47.432 -42.763 -7.636 1.00 0.00 H new ATOM 1396 N VAL A 89 45.997 -46.432 -8.731 1.00 0.00 N ATOM 1397 CA VAL A 89 46.387 -47.773 -8.328 1.00 0.00 C ATOM 1398 C VAL A 89 46.623 -48.627 -9.575 1.00 0.00 C ATOM 1399 O VAL A 89 45.726 -48.782 -10.404 1.00 0.00 O ATOM 1400 CB VAL A 89 45.335 -48.365 -7.388 1.00 0.00 C ATOM 1401 CG1 VAL A 89 44.001 -48.559 -8.111 1.00 0.00 C ATOM 1402 CG2 VAL A 89 45.824 -49.678 -6.775 1.00 0.00 C ATOM 0 H VAL A 89 45.236 -46.395 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 89 47.323 -47.747 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 89 45.175 -47.656 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 43.271 -48.981 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 89 43.642 -47.597 -8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 89 44.139 -49.238 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 89 45.057 -50.077 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 89 46.027 -50.397 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 89 46.737 -49.497 -6.208 1.00 0.00 H new ATOM 1412 N THR A 90 47.832 -49.160 -9.670 1.00 0.00 N ATOM 1413 CA THR A 90 48.196 -49.995 -10.802 1.00 0.00 C ATOM 1414 C THR A 90 49.030 -51.190 -10.337 1.00 0.00 C ATOM 1415 O THR A 90 49.725 -51.109 -9.325 1.00 0.00 O ATOM 1416 CB THR A 90 48.912 -49.115 -11.827 1.00 0.00 C ATOM 1417 OG1 THR A 90 47.937 -48.142 -12.193 1.00 0.00 O ATOM 1418 CG2 THR A 90 49.207 -49.857 -13.132 1.00 0.00 C ATOM 0 H THR A 90 48.573 -49.030 -8.981 1.00 0.00 H new ATOM 0 HA THR A 90 47.314 -50.422 -11.279 1.00 0.00 H new ATOM 0 HB THR A 90 49.845 -48.748 -11.400 1.00 0.00 H new ATOM 0 HG1 THR A 90 48.319 -47.528 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 90 49.716 -49.187 -13.825 1.00 0.00 H new ATOM 0 HG22 THR A 90 49.844 -50.717 -12.926 1.00 0.00 H new ATOM 0 HG23 THR A 90 48.272 -50.197 -13.577 1.00 0.00 H new ATOM 1426 N LEU A 91 48.934 -52.269 -11.099 1.00 0.00 N ATOM 1427 CA LEU A 91 49.672 -53.480 -10.778 1.00 0.00 C ATOM 1428 C LEU A 91 50.844 -53.630 -11.749 1.00 0.00 C ATOM 1429 O LEU A 91 50.684 -53.439 -12.954 1.00 0.00 O ATOM 1430 CB LEU A 91 48.735 -54.688 -10.752 1.00 0.00 C ATOM 1431 CG LEU A 91 49.339 -56.015 -11.219 1.00 0.00 C ATOM 1432 CD1 LEU A 91 50.367 -56.532 -10.212 1.00 0.00 C ATOM 1433 CD2 LEU A 91 48.244 -57.046 -11.501 1.00 0.00 C ATOM 0 H LEU A 91 48.357 -52.331 -11.938 1.00 0.00 H new ATOM 0 HA LEU A 91 50.095 -53.414 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 91 48.368 -54.817 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 91 47.870 -54.465 -11.377 1.00 0.00 H new ATOM 0 HG LEU A 91 49.866 -55.840 -12.157 1.00 0.00 H new ATOM 0 HD11 LEU A 91 50.781 -57.476 -10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 91 51.169 -55.802 -10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 91 49.885 -56.688 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 91 48.700 -57.980 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 91 47.669 -57.224 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 91 47.582 -56.670 -12.281 1.00 0.00 H new ATOM 1445 N THR A 92 51.995 -53.970 -11.190 1.00 0.00 N ATOM 1446 CA THR A 92 53.194 -54.148 -11.992 1.00 0.00 C ATOM 1447 C THR A 92 53.387 -55.625 -12.342 1.00 0.00 C ATOM 1448 O THR A 92 52.726 -56.493 -11.774 1.00 0.00 O ATOM 1449 CB THR A 92 54.372 -53.548 -11.223 1.00 0.00 C ATOM 1450 OG1 THR A 92 54.683 -54.531 -10.239 1.00 0.00 O ATOM 1451 CG2 THR A 92 53.972 -52.318 -10.406 1.00 0.00 C ATOM 0 H THR A 92 52.124 -54.127 -10.190 1.00 0.00 H new ATOM 0 HA THR A 92 53.111 -53.628 -12.946 1.00 0.00 H new ATOM 0 HB THR A 92 55.162 -53.278 -11.924 1.00 0.00 H new ATOM 0 HG1 THR A 92 55.438 -54.223 -9.696 1.00 0.00 H new ATOM 0 HG21 THR A 92 54.845 -51.931 -9.880 1.00 0.00 H new ATOM 0 HG22 THR A 92 53.580 -51.550 -11.073 1.00 0.00 H new ATOM 0 HG23 THR A 92 53.205 -52.595 -9.682 1.00 0.00 H new ATOM 1459 N GLY A 93 54.296 -55.866 -13.274 1.00 0.00 N ATOM 1460 CA GLY A 93 54.585 -57.222 -13.706 1.00 0.00 C ATOM 1461 C GLY A 93 54.960 -58.109 -12.518 1.00 0.00 C ATOM 1462 O GLY A 93 54.775 -59.324 -12.561 1.00 0.00 O ATOM 0 H GLY A 93 54.843 -55.144 -13.743 1.00 0.00 H new ATOM 0 HA2 GLY A 93 53.715 -57.638 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 93 55.402 -57.211 -14.428 1.00 0.00 H new TER 1466 GLY A 93