USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 36 GLN :FLIP amide:sc= -4.32! C(o=-11!,f=-9.8!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -5.47! C(o=-11!,f=-9.8!) USER MOD Set 2.1: A 14 SER OG : rot 138:sc= 0.623 USER MOD Set 2.2: A 17 THR OG1 : rot 63:sc= -0.872 USER MOD Single : A 4 THR OG1 : rot -44:sc= 0.468 USER MOD Single : A 6 THR OG1 : rot -102:sc= 0.264 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8.34! C(o=-8.3!,f=-18!) USER MOD Single : A 30 THR OG1 : rot 107:sc= 0.812 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 76:sc= -2.83! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.18! USER MOD Single : A 60 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.6!) USER MOD Single : A 62 SER OG : rot -7:sc= -0.39 USER MOD Single : A 64 SER OG : rot 40:sc= 1.17 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -18:sc= -2.71! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.423 K(o=-0.42,f=-4.8!) USER MOD Single : A 111 SER OG : rot 83:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -10.532 -3.591 9.832 1.00 0.00 N ATOM 22 CA PRO A 3 -9.962 -2.260 9.969 1.00 0.00 C ATOM 23 C PRO A 3 -9.577 -1.687 8.602 1.00 0.00 C ATOM 24 O PRO A 3 -8.455 -1.879 8.138 1.00 0.00 O ATOM 25 CB PRO A 3 -8.772 -2.435 10.897 1.00 0.00 C ATOM 26 CG PRO A 3 -8.440 -3.918 10.874 1.00 0.00 C ATOM 27 CD PRO A 3 -9.612 -4.649 10.240 1.00 0.00 C ATOM 0 HA PRO A 3 -10.668 -1.539 10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.923 -1.840 10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.013 -2.104 11.907 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.527 -4.096 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.263 -4.285 11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.291 -5.246 9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.082 -5.332 10.948 1.00 0.00 H new ATOM 35 N THR A 4 -10.532 -0.995 7.997 1.00 0.00 N ATOM 36 CA THR A 4 -10.307 -0.392 6.695 1.00 0.00 C ATOM 37 C THR A 4 -9.583 -1.372 5.770 1.00 0.00 C ATOM 38 O THR A 4 -9.614 -2.580 5.996 1.00 0.00 O ATOM 39 CB THR A 4 -9.544 0.921 6.906 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.174 0.527 6.913 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.771 1.509 8.298 1.00 0.00 C ATOM 0 H THR A 4 -11.462 -0.839 8.385 1.00 0.00 H new ATOM 0 HA THR A 4 -11.250 -0.162 6.199 1.00 0.00 H new ATOM 0 HB THR A 4 -9.849 1.646 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.068 -0.279 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.209 2.438 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.833 1.711 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.433 0.799 9.053 1.00 0.00 H new ATOM 49 N ALA A 5 -8.946 -0.816 4.751 1.00 0.00 N ATOM 50 CA ALA A 5 -8.218 -1.626 3.791 1.00 0.00 C ATOM 51 C ALA A 5 -7.033 -2.295 4.492 1.00 0.00 C ATOM 52 O ALA A 5 -6.154 -1.615 5.019 1.00 0.00 O ATOM 53 CB ALA A 5 -7.780 -0.754 2.612 1.00 0.00 C ATOM 0 H ALA A 5 -8.919 0.187 4.569 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.856 -2.415 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.234 -1.363 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.659 -0.324 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.135 0.048 2.972 1.00 0.00 H new ATOM 59 N THR A 6 -7.047 -3.619 4.475 1.00 0.00 N ATOM 60 CA THR A 6 -5.986 -4.388 5.103 1.00 0.00 C ATOM 61 C THR A 6 -5.749 -5.693 4.340 1.00 0.00 C ATOM 62 O THR A 6 -6.675 -6.253 3.759 1.00 0.00 O ATOM 63 CB THR A 6 -6.361 -4.602 6.571 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.778 -4.744 6.550 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.123 -3.356 7.424 1.00 0.00 C ATOM 0 H THR A 6 -7.777 -4.180 4.036 1.00 0.00 H new ATOM 0 HA THR A 6 -5.037 -3.852 5.070 1.00 0.00 H new ATOM 0 HB THR A 6 -5.784 -5.433 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.195 -3.906 6.841 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.405 -3.562 8.456 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.068 -3.084 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.725 -2.532 7.041 1.00 0.00 H new ATOM 73 N VAL A 7 -4.500 -6.136 4.364 1.00 0.00 N ATOM 74 CA VAL A 7 -4.130 -7.364 3.682 1.00 0.00 C ATOM 75 C VAL A 7 -4.523 -8.563 4.547 1.00 0.00 C ATOM 76 O VAL A 7 -4.231 -8.593 5.740 1.00 0.00 O ATOM 77 CB VAL A 7 -2.639 -7.341 3.335 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.288 -8.453 2.346 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.222 -5.973 2.792 1.00 0.00 C ATOM 0 H VAL A 7 -3.733 -5.667 4.845 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.669 -7.453 2.739 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.080 -7.521 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.223 -8.413 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.529 -9.421 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.862 -8.319 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.158 -5.985 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.793 -5.750 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.417 -5.208 3.544 1.00 0.00 H new ATOM 89 N THR A 8 -5.178 -9.521 3.909 1.00 0.00 N ATOM 90 CA THR A 8 -5.618 -10.719 4.606 1.00 0.00 C ATOM 91 C THR A 8 -4.546 -11.183 5.594 1.00 0.00 C ATOM 92 O THR A 8 -4.775 -11.198 6.803 1.00 0.00 O ATOM 93 CB THR A 8 -5.973 -11.773 3.556 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.391 -11.686 3.441 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.726 -13.200 4.052 1.00 0.00 C ATOM 0 H THR A 8 -5.415 -9.493 2.917 1.00 0.00 H new ATOM 0 HA THR A 8 -6.507 -10.525 5.206 1.00 0.00 H new ATOM 0 HB THR A 8 -5.389 -11.596 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.706 -12.336 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.994 -13.909 3.269 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.673 -13.320 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.335 -13.389 4.936 1.00 0.00 H new ATOM 103 N PRO A 9 -3.366 -11.559 5.028 1.00 0.00 N ATOM 104 CA PRO A 9 -2.258 -12.021 5.847 1.00 0.00 C ATOM 105 C PRO A 9 -1.581 -10.852 6.564 1.00 0.00 C ATOM 106 O PRO A 9 -2.183 -9.792 6.739 1.00 0.00 O ATOM 107 CB PRO A 9 -1.331 -12.742 4.882 1.00 0.00 C ATOM 108 CG PRO A 9 -1.717 -12.258 3.493 1.00 0.00 C ATOM 109 CD PRO A 9 -3.058 -11.552 3.601 1.00 0.00 C ATOM 0 HA PRO A 9 -2.576 -12.688 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.287 -12.514 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.445 -13.823 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.959 -11.580 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.782 -13.097 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.003 -10.535 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.826 -12.071 3.027 1.00 0.00 H new ATOM 117 N SER A 10 -0.339 -11.082 6.963 1.00 0.00 N ATOM 118 CA SER A 10 0.427 -10.063 7.659 1.00 0.00 C ATOM 119 C SER A 10 1.889 -10.107 7.210 1.00 0.00 C ATOM 120 O SER A 10 2.503 -9.067 6.980 1.00 0.00 O ATOM 121 CB SER A 10 0.333 -10.240 9.175 1.00 0.00 C ATOM 122 OG SER A 10 0.147 -8.999 9.849 1.00 0.00 O ATOM 0 H SER A 10 0.157 -11.961 6.817 1.00 0.00 H new ATOM 0 HA SER A 10 0.005 -9.090 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.496 -10.908 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.242 -10.718 9.541 1.00 0.00 H new ATOM 0 HG SER A 10 0.090 -9.156 10.815 1.00 0.00 H new ATOM 128 N SER A 11 2.404 -11.323 7.100 1.00 0.00 N ATOM 129 CA SER A 11 3.784 -11.518 6.682 1.00 0.00 C ATOM 130 C SER A 11 3.977 -10.986 5.262 1.00 0.00 C ATOM 131 O SER A 11 4.010 -11.760 4.304 1.00 0.00 O ATOM 132 CB SER A 11 4.177 -12.993 6.757 1.00 0.00 C ATOM 133 OG SER A 11 4.171 -13.480 8.096 1.00 0.00 O ATOM 0 H SER A 11 1.891 -12.183 7.293 1.00 0.00 H new ATOM 0 HA SER A 11 4.432 -10.964 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.487 -13.583 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.170 -13.126 6.327 1.00 0.00 H new ATOM 0 HG SER A 11 4.426 -14.426 8.101 1.00 0.00 H new ATOM 139 N GLY A 12 4.102 -9.670 5.167 1.00 0.00 N ATOM 140 CA GLY A 12 4.294 -9.028 3.877 1.00 0.00 C ATOM 141 C GLY A 12 5.719 -9.245 3.363 1.00 0.00 C ATOM 142 O GLY A 12 6.127 -8.636 2.376 1.00 0.00 O ATOM 0 H GLY A 12 4.074 -9.031 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.579 -9.428 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.094 -7.960 3.965 1.00 0.00 H new ATOM 146 N LEU A 13 6.437 -10.117 4.055 1.00 0.00 N ATOM 147 CA LEU A 13 7.808 -10.422 3.681 1.00 0.00 C ATOM 148 C LEU A 13 7.805 -11.358 2.470 1.00 0.00 C ATOM 149 O LEU A 13 8.687 -12.205 2.333 1.00 0.00 O ATOM 150 CB LEU A 13 8.582 -10.974 4.881 1.00 0.00 C ATOM 151 CG LEU A 13 8.754 -10.018 6.062 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.266 -10.659 7.361 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.201 -9.534 6.170 1.00 0.00 C ATOM 0 H LEU A 13 6.095 -10.622 4.873 1.00 0.00 H new ATOM 0 HA LEU A 13 8.332 -9.514 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.074 -11.871 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.571 -11.282 4.541 1.00 0.00 H new ATOM 0 HG LEU A 13 8.134 -9.140 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.400 -9.958 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.210 -10.912 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.840 -11.564 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.295 -8.856 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.861 -10.389 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.479 -9.012 5.255 1.00 0.00 H new ATOM 165 N SER A 14 6.802 -11.173 1.623 1.00 0.00 N ATOM 166 CA SER A 14 6.672 -11.991 0.428 1.00 0.00 C ATOM 167 C SER A 14 6.592 -11.096 -0.812 1.00 0.00 C ATOM 168 O SER A 14 5.517 -10.912 -1.380 1.00 0.00 O ATOM 169 CB SER A 14 5.444 -12.895 0.511 1.00 0.00 C ATOM 170 OG SER A 14 5.315 -13.727 -0.640 1.00 0.00 O ATOM 0 H SER A 14 6.073 -10.470 1.740 1.00 0.00 H new ATOM 0 HA SER A 14 7.553 -12.628 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.512 -13.518 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.549 -12.282 0.618 1.00 0.00 H new ATOM 0 HG SER A 14 5.056 -14.631 -0.363 1.00 0.00 H new ATOM 176 N ASP A 15 7.742 -10.562 -1.193 1.00 0.00 N ATOM 177 CA ASP A 15 7.815 -9.691 -2.354 1.00 0.00 C ATOM 178 C ASP A 15 7.113 -10.364 -3.535 1.00 0.00 C ATOM 179 O ASP A 15 7.737 -11.100 -4.296 1.00 0.00 O ATOM 180 CB ASP A 15 9.267 -9.427 -2.754 1.00 0.00 C ATOM 181 CG ASP A 15 10.106 -10.681 -3.010 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.358 -11.406 -2.023 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.475 -10.888 -4.187 1.00 0.00 O ATOM 0 H ASP A 15 8.632 -10.715 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 15 7.335 -8.746 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.274 -8.813 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.744 -8.843 -1.967 1.00 0.00 H new ATOM 189 N GLY A 16 5.822 -10.086 -3.650 1.00 0.00 N ATOM 190 CA GLY A 16 5.029 -10.655 -4.727 1.00 0.00 C ATOM 191 C GLY A 16 3.945 -11.585 -4.177 1.00 0.00 C ATOM 192 O GLY A 16 3.598 -12.581 -4.808 1.00 0.00 O ATOM 0 H GLY A 16 5.306 -9.475 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.567 -9.855 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.677 -11.208 -5.408 1.00 0.00 H new ATOM 196 N THR A 17 3.441 -11.224 -3.006 1.00 0.00 N ATOM 197 CA THR A 17 2.403 -12.013 -2.363 1.00 0.00 C ATOM 198 C THR A 17 1.018 -11.513 -2.778 1.00 0.00 C ATOM 199 O THR A 17 0.661 -10.368 -2.506 1.00 0.00 O ATOM 200 CB THR A 17 2.641 -11.964 -0.852 1.00 0.00 C ATOM 201 OG1 THR A 17 2.986 -13.305 -0.511 1.00 0.00 O ATOM 202 CG2 THR A 17 1.354 -11.699 -0.066 1.00 0.00 C ATOM 0 H THR A 17 3.732 -10.396 -2.486 1.00 0.00 H new ATOM 0 HA THR A 17 2.444 -13.055 -2.679 1.00 0.00 H new ATOM 0 HB THR A 17 3.372 -11.189 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.816 -13.556 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.578 -11.674 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.932 -10.741 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.635 -12.493 -0.267 1.00 0.00 H new ATOM 210 N VAL A 18 0.276 -12.397 -3.428 1.00 0.00 N ATOM 211 CA VAL A 18 -1.063 -12.059 -3.883 1.00 0.00 C ATOM 212 C VAL A 18 -2.068 -12.373 -2.773 1.00 0.00 C ATOM 213 O VAL A 18 -2.203 -13.523 -2.360 1.00 0.00 O ATOM 214 CB VAL A 18 -1.370 -12.788 -5.192 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.555 -12.141 -5.914 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.137 -12.836 -6.095 1.00 0.00 C ATOM 0 H VAL A 18 0.576 -13.346 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.137 -10.993 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.646 -13.814 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.753 -12.678 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.437 -12.183 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.320 -11.101 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.383 -13.360 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.183 -11.820 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.669 -13.362 -5.583 1.00 0.00 H new ATOM 226 N VAL A 19 -2.748 -11.328 -2.321 1.00 0.00 N ATOM 227 CA VAL A 19 -3.738 -11.479 -1.267 1.00 0.00 C ATOM 228 C VAL A 19 -4.924 -10.556 -1.552 1.00 0.00 C ATOM 229 O VAL A 19 -4.944 -9.863 -2.568 1.00 0.00 O ATOM 230 CB VAL A 19 -3.091 -11.221 0.096 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.401 -12.479 0.624 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.113 -10.047 0.026 1.00 0.00 C ATOM 0 H VAL A 19 -2.633 -10.375 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.120 -12.499 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.883 -10.956 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.950 -12.267 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.134 -13.278 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.626 -12.790 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.668 -9.885 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.328 -10.270 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.646 -9.148 -0.283 1.00 0.00 H new ATOM 242 N LYS A 20 -5.882 -10.577 -0.637 1.00 0.00 N ATOM 243 CA LYS A 20 -7.069 -9.751 -0.778 1.00 0.00 C ATOM 244 C LYS A 20 -7.032 -8.632 0.264 1.00 0.00 C ATOM 245 O LYS A 20 -6.769 -8.881 1.441 1.00 0.00 O ATOM 246 CB LYS A 20 -8.331 -10.612 -0.710 1.00 0.00 C ATOM 247 CG LYS A 20 -9.526 -9.883 -1.327 1.00 0.00 C ATOM 248 CD LYS A 20 -10.604 -10.873 -1.772 1.00 0.00 C ATOM 249 CE LYS A 20 -11.135 -10.518 -3.163 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.279 -11.385 -3.517 1.00 0.00 N ATOM 0 H LYS A 20 -5.860 -11.153 0.205 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.088 -9.275 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.163 -11.552 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.549 -10.862 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.945 -9.186 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.195 -9.293 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.193 -11.883 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.424 -10.870 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.443 -9.473 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.342 -10.633 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.627 -11.131 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.974 -12.379 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.041 -11.255 -2.821 1.00 0.00 H new ATOM 264 N VAL A 21 -7.298 -7.422 -0.203 1.00 0.00 N ATOM 265 CA VAL A 21 -7.298 -6.263 0.674 1.00 0.00 C ATOM 266 C VAL A 21 -8.738 -5.797 0.899 1.00 0.00 C ATOM 267 O VAL A 21 -9.337 -5.176 0.023 1.00 0.00 O ATOM 268 CB VAL A 21 -6.400 -5.167 0.094 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.578 -3.852 0.856 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.934 -5.605 0.089 1.00 0.00 C ATOM 0 H VAL A 21 -7.515 -7.218 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.884 -6.523 1.648 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.702 -4.998 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.929 -3.090 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.616 -3.527 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.316 -4.000 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.318 -4.808 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.614 -5.815 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.825 -6.504 -0.518 1.00 0.00 H new ATOM 280 N ALA A 22 -9.253 -6.120 2.076 1.00 0.00 N ATOM 281 CA ALA A 22 -10.612 -5.744 2.426 1.00 0.00 C ATOM 282 C ALA A 22 -10.597 -4.380 3.117 1.00 0.00 C ATOM 283 O ALA A 22 -9.897 -4.190 4.109 1.00 0.00 O ATOM 284 CB ALA A 22 -11.234 -6.835 3.302 1.00 0.00 C ATOM 0 H ALA A 22 -8.754 -6.638 2.799 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.228 -5.653 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.254 -6.553 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.248 -7.777 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.644 -6.952 4.211 1.00 0.00 H new ATOM 290 N GLY A 23 -11.379 -3.464 2.564 1.00 0.00 N ATOM 291 CA GLY A 23 -11.464 -2.120 3.115 1.00 0.00 C ATOM 292 C GLY A 23 -12.854 -1.852 3.689 1.00 0.00 C ATOM 293 O GLY A 23 -13.773 -1.486 2.957 1.00 0.00 O ATOM 0 H GLY A 23 -11.959 -3.625 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.714 -1.995 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.240 -1.389 2.338 1.00 0.00 H new ATOM 297 N ALA A 24 -12.969 -2.042 4.996 1.00 0.00 N ATOM 298 CA ALA A 24 -14.232 -1.822 5.677 1.00 0.00 C ATOM 299 C ALA A 24 -14.241 -0.422 6.291 1.00 0.00 C ATOM 300 O ALA A 24 -13.412 -0.108 7.143 1.00 0.00 O ATOM 301 CB ALA A 24 -14.446 -2.919 6.722 1.00 0.00 C ATOM 0 H ALA A 24 -12.206 -2.346 5.601 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.062 -1.876 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.394 -2.754 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.463 -3.892 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.633 -2.894 7.448 1.00 0.00 H new ATOM 307 N GLY A 25 -15.189 0.385 5.835 1.00 0.00 N ATOM 308 CA GLY A 25 -15.316 1.744 6.329 1.00 0.00 C ATOM 309 C GLY A 25 -14.201 2.633 5.778 1.00 0.00 C ATOM 310 O GLY A 25 -13.676 3.489 6.489 1.00 0.00 O ATOM 0 H GLY A 25 -15.876 0.122 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.286 2.150 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.281 1.744 7.418 1.00 0.00 H new ATOM 314 N LEU A 26 -13.873 2.404 4.514 1.00 0.00 N ATOM 315 CA LEU A 26 -12.830 3.175 3.859 1.00 0.00 C ATOM 316 C LEU A 26 -13.470 4.278 3.015 1.00 0.00 C ATOM 317 O LEU A 26 -14.036 5.227 3.555 1.00 0.00 O ATOM 318 CB LEU A 26 -11.902 2.253 3.065 1.00 0.00 C ATOM 319 CG LEU A 26 -10.517 2.815 2.738 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.708 1.825 1.897 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.624 4.185 2.067 1.00 0.00 C ATOM 0 H LEU A 26 -14.312 1.695 3.926 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.198 3.666 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.773 1.328 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.396 1.991 2.129 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.977 2.958 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.728 2.249 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.585 0.893 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.234 1.626 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.625 4.561 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.191 4.093 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.133 4.879 2.736 1.00 0.00 H new ATOM 333 N GLN A 27 -13.358 4.115 1.704 1.00 0.00 N ATOM 334 CA GLN A 27 -13.921 5.087 0.780 1.00 0.00 C ATOM 335 C GLN A 27 -15.327 5.491 1.225 1.00 0.00 C ATOM 336 O GLN A 27 -15.806 6.570 0.878 1.00 0.00 O ATOM 337 CB GLN A 27 -13.932 4.540 -0.648 1.00 0.00 C ATOM 338 CG GLN A 27 -12.516 4.467 -1.219 1.00 0.00 C ATOM 339 CD GLN A 27 -12.007 3.025 -1.240 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.833 2.386 -0.214 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.775 2.548 -2.461 1.00 0.00 N ATOM 0 H GLN A 27 -12.887 3.327 1.260 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.291 5.976 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.383 3.548 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.550 5.177 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.506 4.875 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.846 5.084 -0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.941 3.135 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.431 1.595 -2.579 1.00 0.00 H new ATOM 350 N ALA A 28 -15.949 4.606 1.987 1.00 0.00 N ATOM 351 CA ALA A 28 -17.292 4.855 2.484 1.00 0.00 C ATOM 352 C ALA A 28 -18.266 4.899 1.304 1.00 0.00 C ATOM 353 O ALA A 28 -19.364 5.444 1.422 1.00 0.00 O ATOM 354 CB ALA A 28 -17.302 6.154 3.296 1.00 0.00 C ATOM 0 H ALA A 28 -15.548 3.713 2.274 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.612 4.052 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.309 6.342 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.614 6.063 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.990 6.983 2.660 1.00 0.00 H new ATOM 360 N GLY A 29 -17.832 4.316 0.197 1.00 0.00 N ATOM 361 CA GLY A 29 -18.652 4.282 -1.001 1.00 0.00 C ATOM 362 C GLY A 29 -17.959 5.002 -2.161 1.00 0.00 C ATOM 363 O GLY A 29 -18.461 5.000 -3.284 1.00 0.00 O ATOM 0 H GLY A 29 -16.923 3.863 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.853 3.247 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.615 4.751 -0.800 1.00 0.00 H new ATOM 367 N THR A 30 -16.820 5.598 -1.849 1.00 0.00 N ATOM 368 CA THR A 30 -16.054 6.321 -2.849 1.00 0.00 C ATOM 369 C THR A 30 -15.099 5.373 -3.578 1.00 0.00 C ATOM 370 O THR A 30 -15.276 4.155 -3.536 1.00 0.00 O ATOM 371 CB THR A 30 -15.342 7.484 -2.156 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.207 7.823 -1.075 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.308 8.747 -3.015 1.00 0.00 C ATOM 0 H THR A 30 -16.408 5.595 -0.916 1.00 0.00 H new ATOM 0 HA THR A 30 -16.705 6.734 -3.619 1.00 0.00 H new ATOM 0 HB THR A 30 -14.323 7.189 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.809 7.524 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.791 9.540 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.781 8.539 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.327 9.063 -3.237 1.00 0.00 H new ATOM 381 N ALA A 31 -14.108 5.964 -4.228 1.00 0.00 N ATOM 382 CA ALA A 31 -13.125 5.188 -4.961 1.00 0.00 C ATOM 383 C ALA A 31 -11.786 5.929 -4.956 1.00 0.00 C ATOM 384 O ALA A 31 -11.754 7.159 -4.993 1.00 0.00 O ATOM 385 CB ALA A 31 -13.639 4.923 -6.379 1.00 0.00 C ATOM 0 H ALA A 31 -13.965 6.973 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.967 4.221 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.901 4.340 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.576 4.368 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.806 5.872 -6.889 1.00 0.00 H new ATOM 391 N TYR A 32 -10.716 5.151 -4.908 1.00 0.00 N ATOM 392 CA TYR A 32 -9.378 5.719 -4.897 1.00 0.00 C ATOM 393 C TYR A 32 -8.369 4.760 -5.534 1.00 0.00 C ATOM 394 O TYR A 32 -8.755 3.754 -6.126 1.00 0.00 O ATOM 395 CB TYR A 32 -9.016 5.917 -3.425 1.00 0.00 C ATOM 396 CG TYR A 32 -9.697 7.121 -2.773 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.775 8.322 -3.452 1.00 0.00 C ATOM 398 CD2 TYR A 32 -10.234 7.010 -1.506 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.416 9.456 -2.839 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.874 8.145 -0.894 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.934 9.311 -1.589 1.00 0.00 C ATOM 402 OH TYR A 32 -11.539 10.384 -1.011 1.00 0.00 O ATOM 0 H TYR A 32 -10.747 4.132 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.352 6.650 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.284 5.017 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.936 6.034 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.355 8.410 -4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.174 6.072 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.484 10.400 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.298 8.071 0.097 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.863 10.136 -0.120 1.00 0.00 H new ATOM 412 N ASP A 33 -7.099 5.108 -5.391 1.00 0.00 N ATOM 413 CA ASP A 33 -6.033 4.290 -5.943 1.00 0.00 C ATOM 414 C ASP A 33 -5.394 3.467 -4.825 1.00 0.00 C ATOM 415 O ASP A 33 -4.991 4.014 -3.799 1.00 0.00 O ATOM 416 CB ASP A 33 -4.942 5.160 -6.573 1.00 0.00 C ATOM 417 CG ASP A 33 -5.368 5.920 -7.830 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.726 5.686 -8.878 1.00 0.00 O ATOM 419 OD2 ASP A 33 -6.321 6.719 -7.716 1.00 0.00 O ATOM 0 H ASP A 33 -6.784 5.945 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.466 3.644 -6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.598 5.880 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.091 4.526 -6.821 1.00 0.00 H new ATOM 425 N VAL A 34 -5.321 2.165 -5.058 1.00 0.00 N ATOM 426 CA VAL A 34 -4.738 1.261 -4.081 1.00 0.00 C ATOM 427 C VAL A 34 -3.244 1.101 -4.370 1.00 0.00 C ATOM 428 O VAL A 34 -2.815 1.207 -5.517 1.00 0.00 O ATOM 429 CB VAL A 34 -5.494 -0.069 -4.083 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.620 -1.196 -4.637 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.005 -0.412 -2.682 1.00 0.00 C ATOM 0 H VAL A 34 -5.656 1.714 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.832 1.671 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.358 0.039 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.182 -2.130 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.327 -0.960 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.728 -1.302 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.539 -1.362 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.161 -0.491 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.679 0.372 -2.339 1.00 0.00 H new ATOM 441 N GLY A 35 -2.493 0.848 -3.308 1.00 0.00 N ATOM 442 CA GLY A 35 -1.056 0.672 -3.433 1.00 0.00 C ATOM 443 C GLY A 35 -0.374 0.745 -2.065 1.00 0.00 C ATOM 444 O GLY A 35 -0.919 1.323 -1.125 1.00 0.00 O ATOM 0 H GLY A 35 -2.853 0.761 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.843 -0.290 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.647 1.441 -4.089 1.00 0.00 H new ATOM 448 N GLN A 36 0.809 0.152 -1.996 1.00 0.00 N ATOM 449 CA GLN A 36 1.573 0.142 -0.760 1.00 0.00 C ATOM 450 C GLN A 36 2.566 1.305 -0.740 1.00 0.00 C ATOM 451 O GLN A 36 3.602 1.252 -1.401 1.00 0.00 O ATOM 452 CB GLN A 36 2.289 -1.195 -0.568 1.00 0.00 C ATOM 453 CG GLN A 36 1.581 -2.312 -1.340 1.00 0.00 C ATOM 454 CD GLN A 36 2.547 -3.013 -2.297 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.216 -2.183 -3.093 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.676 -4.227 -2.315 1.00 0.00 N flip ATOM 0 H GLN A 36 1.258 -0.326 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 36 0.881 0.267 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.321 -1.111 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.322 -1.445 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.167 -3.037 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.744 -1.897 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.132 -4.807 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.328 -4.661 -2.968 1.00 0.00 H new ATOM 465 N CYS A 37 2.215 2.328 0.025 1.00 0.00 N ATOM 466 CA CYS A 37 3.064 3.503 0.141 1.00 0.00 C ATOM 467 C CYS A 37 3.697 3.504 1.533 1.00 0.00 C ATOM 468 O CYS A 37 3.173 2.883 2.455 1.00 0.00 O ATOM 469 CB CYS A 37 2.285 4.791 -0.136 1.00 0.00 C ATOM 470 SG CYS A 37 3.312 6.203 -0.688 1.00 0.00 S ATOM 0 H CYS A 37 1.354 2.368 0.571 1.00 0.00 H new ATOM 0 HA CYS A 37 3.851 3.463 -0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.532 4.587 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.752 5.079 0.770 1.00 0.00 H new ATOM 475 N ALA A 38 4.813 4.207 1.638 1.00 0.00 N ATOM 476 CA ALA A 38 5.523 4.298 2.905 1.00 0.00 C ATOM 477 C ALA A 38 6.807 5.108 2.707 1.00 0.00 C ATOM 478 O ALA A 38 7.280 5.263 1.581 1.00 0.00 O ATOM 479 CB ALA A 38 5.797 2.890 3.437 1.00 0.00 C ATOM 0 H ALA A 38 5.245 4.719 0.869 1.00 0.00 H new ATOM 0 HA ALA A 38 4.918 4.816 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.329 2.957 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.852 2.367 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.405 2.341 2.718 1.00 0.00 H new ATOM 485 N TRP A 39 7.334 5.601 3.818 1.00 0.00 N ATOM 486 CA TRP A 39 8.554 6.390 3.781 1.00 0.00 C ATOM 487 C TRP A 39 9.687 5.487 3.288 1.00 0.00 C ATOM 488 O TRP A 39 10.142 4.606 4.014 1.00 0.00 O ATOM 489 CB TRP A 39 8.841 7.017 5.147 1.00 0.00 C ATOM 490 CG TRP A 39 9.355 6.026 6.192 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.660 5.098 6.862 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.714 5.901 6.661 1.00 0.00 C ATOM 493 NE1 TRP A 39 9.466 4.387 7.727 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.755 4.890 7.601 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.870 6.617 6.305 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.928 4.504 8.261 1.00 0.00 C ATOM 497 CZ3 TRP A 39 13.035 6.220 6.975 1.00 0.00 C ATOM 498 CH2 TRP A 39 13.091 5.206 7.922 1.00 0.00 C ATOM 0 H TRP A 39 6.939 5.470 4.749 1.00 0.00 H new ATOM 0 HA TRP A 39 8.452 7.227 3.091 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.576 7.812 5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.929 7.482 5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.601 4.927 6.740 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.170 3.631 8.345 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.861 7.411 5.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.935 3.708 8.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.952 6.738 6.739 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.030 4.959 8.396 1.00 0.00 H new ATOM 509 N VAL A 40 10.106 5.739 2.058 1.00 0.00 N ATOM 510 CA VAL A 40 11.178 4.959 1.458 1.00 0.00 C ATOM 511 C VAL A 40 12.489 5.742 1.559 1.00 0.00 C ATOM 512 O VAL A 40 13.509 5.201 1.982 1.00 0.00 O ATOM 513 CB VAL A 40 10.811 4.587 0.022 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.713 5.313 -0.980 1.00 0.00 C ATOM 515 CG2 VAL A 40 10.874 3.072 -0.185 1.00 0.00 C ATOM 0 H VAL A 40 9.724 6.471 1.459 1.00 0.00 H new ATOM 0 HA VAL A 40 11.318 4.021 1.996 1.00 0.00 H new ATOM 0 HB VAL A 40 9.785 4.908 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.431 5.031 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.599 6.390 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.752 5.036 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.608 2.834 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.884 2.718 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.174 2.583 0.492 1.00 0.00 H new ATOM 525 N ASP A 41 12.419 7.004 1.163 1.00 0.00 N ATOM 526 CA ASP A 41 13.588 7.867 1.201 1.00 0.00 C ATOM 527 C ASP A 41 13.598 8.644 2.519 1.00 0.00 C ATOM 528 O ASP A 41 12.618 8.629 3.260 1.00 0.00 O ATOM 529 CB ASP A 41 13.564 8.880 0.056 1.00 0.00 C ATOM 530 CG ASP A 41 14.402 10.138 0.286 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.616 9.973 0.542 1.00 0.00 O ATOM 532 OD2 ASP A 41 13.811 11.236 0.203 1.00 0.00 O ATOM 0 H ASP A 41 11.571 7.450 0.814 1.00 0.00 H new ATOM 0 HA ASP A 41 14.474 7.239 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.916 8.388 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.531 9.178 -0.123 1.00 0.00 H new ATOM 538 N THR A 42 14.720 9.305 2.770 1.00 0.00 N ATOM 539 CA THR A 42 14.870 10.088 3.986 1.00 0.00 C ATOM 540 C THR A 42 13.526 10.685 4.405 1.00 0.00 C ATOM 541 O THR A 42 13.128 11.739 3.906 1.00 0.00 O ATOM 542 CB THR A 42 15.954 11.139 3.739 1.00 0.00 C ATOM 543 OG1 THR A 42 17.171 10.400 3.776 1.00 0.00 O ATOM 544 CG2 THR A 42 16.083 12.129 4.897 1.00 0.00 C ATOM 0 H THR A 42 15.532 9.314 2.153 1.00 0.00 H new ATOM 0 HA THR A 42 15.186 9.465 4.823 1.00 0.00 H new ATOM 0 HB THR A 42 15.730 11.682 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.926 11.006 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.866 12.853 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.136 12.650 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.339 11.590 5.809 1.00 0.00 H new ATOM 552 N GLY A 43 12.863 9.992 5.316 1.00 0.00 N ATOM 553 CA GLY A 43 11.572 10.441 5.808 1.00 0.00 C ATOM 554 C GLY A 43 10.704 10.968 4.666 1.00 0.00 C ATOM 555 O GLY A 43 9.821 11.796 4.883 1.00 0.00 O ATOM 0 H GLY A 43 13.196 9.120 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.062 9.617 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.715 11.224 6.552 1.00 0.00 H new ATOM 559 N VAL A 44 10.983 10.467 3.472 1.00 0.00 N ATOM 560 CA VAL A 44 10.238 10.879 2.293 1.00 0.00 C ATOM 561 C VAL A 44 9.228 9.788 1.929 1.00 0.00 C ATOM 562 O VAL A 44 9.611 8.672 1.584 1.00 0.00 O ATOM 563 CB VAL A 44 11.203 11.205 1.151 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.514 11.068 -0.206 1.00 0.00 C ATOM 565 CG2 VAL A 44 11.803 12.601 1.323 1.00 0.00 C ATOM 0 H VAL A 44 11.715 9.779 3.295 1.00 0.00 H new ATOM 0 HA VAL A 44 9.676 11.791 2.495 1.00 0.00 H new ATOM 0 HB VAL A 44 12.019 10.483 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.223 11.305 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.158 10.046 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.669 11.755 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.485 12.808 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.004 13.342 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.348 12.649 2.266 1.00 0.00 H new ATOM 575 N LEU A 45 7.958 10.152 2.019 1.00 0.00 N ATOM 576 CA LEU A 45 6.888 9.219 1.704 1.00 0.00 C ATOM 577 C LEU A 45 6.979 8.827 0.227 1.00 0.00 C ATOM 578 O LEU A 45 6.626 9.614 -0.651 1.00 0.00 O ATOM 579 CB LEU A 45 5.532 9.804 2.102 1.00 0.00 C ATOM 580 CG LEU A 45 4.314 9.221 1.383 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.975 7.828 1.918 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.119 10.174 1.470 1.00 0.00 C ATOM 0 H LEU A 45 7.645 11.080 2.305 1.00 0.00 H new ATOM 0 HA LEU A 45 6.997 8.304 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.398 9.663 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.555 10.879 1.922 1.00 0.00 H new ATOM 0 HG LEU A 45 4.562 9.109 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.105 7.437 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.824 7.162 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.754 7.891 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.266 9.736 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.861 10.340 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.378 11.125 1.005 1.00 0.00 H new ATOM 594 N ALA A 46 7.454 7.612 -0.002 1.00 0.00 N ATOM 595 CA ALA A 46 7.595 7.105 -1.357 1.00 0.00 C ATOM 596 C ALA A 46 6.688 5.889 -1.539 1.00 0.00 C ATOM 597 O ALA A 46 6.587 5.045 -0.650 1.00 0.00 O ATOM 598 CB ALA A 46 9.066 6.783 -1.630 1.00 0.00 C ATOM 0 H ALA A 46 7.747 6.963 0.728 1.00 0.00 H new ATOM 0 HA ALA A 46 7.286 7.857 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.173 6.403 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.664 7.687 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.411 6.029 -0.922 1.00 0.00 H new ATOM 604 N CYS A 47 6.048 5.837 -2.698 1.00 0.00 N ATOM 605 CA CYS A 47 5.152 4.736 -3.010 1.00 0.00 C ATOM 606 C CYS A 47 5.875 3.780 -3.961 1.00 0.00 C ATOM 607 O CYS A 47 6.786 4.188 -4.680 1.00 0.00 O ATOM 608 CB CYS A 47 3.828 5.233 -3.596 1.00 0.00 C ATOM 609 SG CYS A 47 3.047 6.606 -2.673 1.00 0.00 S ATOM 0 H CYS A 47 6.132 6.540 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 47 4.892 4.205 -2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.000 5.556 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.129 4.398 -3.637 1.00 0.00 H new ATOM 614 N ASN A 48 5.441 2.529 -3.935 1.00 0.00 N ATOM 615 CA ASN A 48 6.035 1.513 -4.787 1.00 0.00 C ATOM 616 C ASN A 48 5.439 1.619 -6.191 1.00 0.00 C ATOM 617 O ASN A 48 4.450 2.318 -6.400 1.00 0.00 O ATOM 618 CB ASN A 48 5.744 0.108 -4.254 1.00 0.00 C ATOM 619 CG ASN A 48 5.706 0.099 -2.723 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.474 1.028 -2.158 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.027 -0.698 -2.099 1.00 0.00 N flip ATOM 0 H ASN A 48 4.685 2.196 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 48 7.113 1.676 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.790 -0.244 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.509 -0.584 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.461 -1.385 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.025 -0.678 -1.079 1.00 0.00 H new ATOM 628 N PRO A 49 6.086 0.895 -7.144 1.00 0.00 N ATOM 629 CA PRO A 49 5.630 0.901 -8.525 1.00 0.00 C ATOM 630 C PRO A 49 4.366 0.054 -8.689 1.00 0.00 C ATOM 631 O PRO A 49 3.713 0.105 -9.729 1.00 0.00 O ATOM 632 CB PRO A 49 6.807 0.374 -9.330 1.00 0.00 C ATOM 633 CG PRO A 49 7.705 -0.344 -8.334 1.00 0.00 C ATOM 634 CD PRO A 49 7.261 0.055 -6.936 1.00 0.00 C ATOM 0 HA PRO A 49 5.342 1.895 -8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.471 -0.305 -10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.340 1.188 -9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.633 -1.424 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.748 -0.073 -8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.020 -0.820 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.047 0.597 -6.411 1.00 0.00 H new ATOM 642 N ALA A 50 4.062 -0.704 -7.645 1.00 0.00 N ATOM 643 CA ALA A 50 2.887 -1.560 -7.660 1.00 0.00 C ATOM 644 C ALA A 50 1.806 -0.953 -6.765 1.00 0.00 C ATOM 645 O ALA A 50 0.837 -1.624 -6.415 1.00 0.00 O ATOM 646 CB ALA A 50 3.279 -2.973 -7.223 1.00 0.00 C ATOM 0 H ALA A 50 4.608 -0.743 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 50 2.478 -1.631 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.398 -3.615 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.027 -3.371 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.692 -2.941 -6.215 1.00 0.00 H new ATOM 652 N ASP A 51 2.010 0.310 -6.420 1.00 0.00 N ATOM 653 CA ASP A 51 1.064 1.017 -5.574 1.00 0.00 C ATOM 654 C ASP A 51 -0.033 1.635 -6.442 1.00 0.00 C ATOM 655 O ASP A 51 -0.840 2.427 -5.960 1.00 0.00 O ATOM 656 CB ASP A 51 1.751 2.146 -4.804 1.00 0.00 C ATOM 657 CG ASP A 51 0.814 3.241 -4.289 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.560 4.184 -5.069 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.374 3.109 -3.126 1.00 0.00 O ATOM 0 H ASP A 51 2.817 0.862 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 51 0.645 0.300 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.283 1.716 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.499 2.604 -5.451 1.00 0.00 H new ATOM 665 N PHE A 52 -0.025 1.248 -7.710 1.00 0.00 N ATOM 666 CA PHE A 52 -1.009 1.755 -8.652 1.00 0.00 C ATOM 667 C PHE A 52 -2.033 0.675 -9.010 1.00 0.00 C ATOM 668 O PHE A 52 -1.831 -0.086 -9.955 1.00 0.00 O ATOM 669 CB PHE A 52 -0.251 2.160 -9.916 1.00 0.00 C ATOM 670 CG PHE A 52 1.069 2.886 -9.645 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.082 4.006 -8.873 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.228 2.412 -10.176 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.307 4.681 -8.620 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.453 3.087 -9.923 1.00 0.00 C ATOM 675 CZ PHE A 52 3.465 4.206 -9.151 1.00 0.00 C ATOM 0 H PHE A 52 0.646 0.590 -8.106 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.546 2.596 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.048 1.267 -10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.890 2.804 -10.520 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.161 4.382 -8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.218 1.523 -10.790 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.318 5.570 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.374 2.711 -10.344 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.396 4.719 -8.959 1.00 0.00 H new ATOM 685 N SER A 53 -3.108 0.645 -8.236 1.00 0.00 N ATOM 686 CA SER A 53 -4.162 -0.329 -8.459 1.00 0.00 C ATOM 687 C SER A 53 -5.506 0.238 -7.998 1.00 0.00 C ATOM 688 O SER A 53 -5.913 0.030 -6.857 1.00 0.00 O ATOM 689 CB SER A 53 -3.863 -1.642 -7.731 1.00 0.00 C ATOM 690 OG SER A 53 -3.641 -2.717 -8.640 1.00 0.00 O ATOM 0 H SER A 53 -3.271 1.279 -7.454 1.00 0.00 H new ATOM 0 HA SER A 53 -4.211 -0.540 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.984 -1.514 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.696 -1.890 -7.073 1.00 0.00 H new ATOM 0 HG SER A 53 -2.748 -2.632 -9.035 1.00 0.00 H new ATOM 696 N SER A 54 -6.157 0.946 -8.909 1.00 0.00 N ATOM 697 CA SER A 54 -7.447 1.547 -8.610 1.00 0.00 C ATOM 698 C SER A 54 -8.250 0.625 -7.692 1.00 0.00 C ATOM 699 O SER A 54 -8.070 -0.590 -7.711 1.00 0.00 O ATOM 700 CB SER A 54 -8.230 1.836 -9.892 1.00 0.00 C ATOM 701 OG SER A 54 -8.783 0.650 -10.457 1.00 0.00 O ATOM 0 H SER A 54 -5.816 1.117 -9.855 1.00 0.00 H new ATOM 0 HA SER A 54 -7.275 2.496 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.031 2.543 -9.676 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.572 2.312 -10.619 1.00 0.00 H new ATOM 0 HG SER A 54 -9.277 0.876 -11.273 1.00 0.00 H new ATOM 707 N VAL A 55 -9.125 1.241 -6.908 1.00 0.00 N ATOM 708 CA VAL A 55 -9.958 0.491 -5.983 1.00 0.00 C ATOM 709 C VAL A 55 -11.230 1.291 -5.687 1.00 0.00 C ATOM 710 O VAL A 55 -11.269 2.502 -5.898 1.00 0.00 O ATOM 711 CB VAL A 55 -9.163 0.145 -4.723 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.616 1.407 -4.057 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.011 -0.668 -3.745 1.00 0.00 C ATOM 0 H VAL A 55 -9.274 2.250 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.264 -0.456 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.315 -0.471 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.055 1.133 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.959 1.930 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.444 2.060 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.421 -0.900 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.888 -0.089 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.329 -1.595 -4.222 1.00 0.00 H new ATOM 723 N THR A 56 -12.237 0.580 -5.201 1.00 0.00 N ATOM 724 CA THR A 56 -13.505 1.210 -4.873 1.00 0.00 C ATOM 725 C THR A 56 -14.196 0.453 -3.736 1.00 0.00 C ATOM 726 O THR A 56 -14.249 -0.775 -3.744 1.00 0.00 O ATOM 727 CB THR A 56 -14.342 1.280 -6.152 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.798 2.390 -6.862 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.791 1.686 -5.880 1.00 0.00 C ATOM 0 H THR A 56 -12.201 -0.424 -5.027 1.00 0.00 H new ATOM 0 HA THR A 56 -13.360 2.226 -4.506 1.00 0.00 H new ATOM 0 HB THR A 56 -14.324 0.312 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.281 2.507 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.342 1.721 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.254 0.957 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.811 2.670 -5.411 1.00 0.00 H new ATOM 737 N ALA A 57 -14.709 1.221 -2.786 1.00 0.00 N ATOM 738 CA ALA A 57 -15.395 0.638 -1.644 1.00 0.00 C ATOM 739 C ALA A 57 -16.904 0.842 -1.801 1.00 0.00 C ATOM 740 O ALA A 57 -17.361 1.961 -2.025 1.00 0.00 O ATOM 741 CB ALA A 57 -14.855 1.258 -0.354 1.00 0.00 C ATOM 0 H ALA A 57 -14.664 2.240 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.211 -0.435 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.369 0.821 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.786 1.060 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.025 2.335 -0.369 1.00 0.00 H new ATOM 747 N ASP A 58 -17.633 -0.257 -1.678 1.00 0.00 N ATOM 748 CA ASP A 58 -19.080 -0.211 -1.804 1.00 0.00 C ATOM 749 C ASP A 58 -19.630 0.912 -0.924 1.00 0.00 C ATOM 750 O ASP A 58 -18.954 1.374 -0.007 1.00 0.00 O ATOM 751 CB ASP A 58 -19.714 -1.526 -1.344 1.00 0.00 C ATOM 752 CG ASP A 58 -18.885 -2.778 -1.634 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.229 -3.832 -1.055 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.928 -2.656 -2.428 1.00 0.00 O ATOM 0 H ASP A 58 -17.250 -1.184 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.322 -0.041 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.895 -1.469 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.686 -1.632 -1.826 1.00 0.00 H new ATOM 760 N ALA A 59 -20.852 1.320 -1.233 1.00 0.00 N ATOM 761 CA ALA A 59 -21.500 2.381 -0.481 1.00 0.00 C ATOM 762 C ALA A 59 -21.185 2.213 1.007 1.00 0.00 C ATOM 763 O ALA A 59 -21.108 3.194 1.743 1.00 0.00 O ATOM 764 CB ALA A 59 -23.004 2.361 -0.763 1.00 0.00 C ATOM 0 H ALA A 59 -21.411 0.935 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.122 3.355 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.491 3.157 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.176 2.514 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.418 1.398 -0.463 1.00 0.00 H new ATOM 770 N ASN A 60 -21.011 0.961 1.403 1.00 0.00 N ATOM 771 CA ASN A 60 -20.703 0.650 2.789 1.00 0.00 C ATOM 772 C ASN A 60 -19.186 0.670 2.989 1.00 0.00 C ATOM 773 O ASN A 60 -18.649 -0.126 3.759 1.00 0.00 O ATOM 774 CB ASN A 60 -21.215 -0.741 3.169 1.00 0.00 C ATOM 775 CG ASN A 60 -21.848 -0.731 4.560 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.692 0.196 5.336 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.573 -1.813 4.833 1.00 0.00 N ATOM 0 H ASN A 60 -21.077 0.150 0.788 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.190 1.396 3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.948 -1.076 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.391 -1.454 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.038 -1.901 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.664 -2.555 4.139 1.00 0.00 H new ATOM 784 N GLY A 61 -18.540 1.582 2.281 1.00 0.00 N ATOM 785 CA GLY A 61 -17.096 1.715 2.370 1.00 0.00 C ATOM 786 C GLY A 61 -16.420 0.343 2.390 1.00 0.00 C ATOM 787 O GLY A 61 -15.475 0.122 3.146 1.00 0.00 O ATOM 0 H GLY A 61 -18.990 2.237 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.728 2.294 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.833 2.267 3.272 1.00 0.00 H new ATOM 791 N SER A 62 -16.930 -0.546 1.548 1.00 0.00 N ATOM 792 CA SER A 62 -16.388 -1.890 1.460 1.00 0.00 C ATOM 793 C SER A 62 -15.568 -2.040 0.177 1.00 0.00 C ATOM 794 O SER A 62 -16.115 -2.348 -0.882 1.00 0.00 O ATOM 795 CB SER A 62 -17.503 -2.937 1.503 1.00 0.00 C ATOM 796 OG SER A 62 -18.563 -2.554 2.374 1.00 0.00 O ATOM 0 H SER A 62 -17.713 -0.360 0.921 1.00 0.00 H new ATOM 0 HA SER A 62 -15.739 -2.054 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.897 -3.088 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.091 -3.891 1.831 1.00 0.00 H new ATOM 0 HG SER A 62 -18.312 -1.738 2.855 1.00 0.00 H new ATOM 802 N ALA A 63 -14.269 -1.814 0.313 1.00 0.00 N ATOM 803 CA ALA A 63 -13.369 -1.919 -0.824 1.00 0.00 C ATOM 804 C ALA A 63 -12.530 -3.194 -0.686 1.00 0.00 C ATOM 805 O ALA A 63 -11.446 -3.168 -0.107 1.00 0.00 O ATOM 806 CB ALA A 63 -12.505 -0.660 -0.908 1.00 0.00 C ATOM 0 H ALA A 63 -13.819 -1.559 1.192 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.931 -1.991 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.830 -0.738 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.146 0.213 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.923 -0.557 0.008 1.00 0.00 H new ATOM 812 N SER A 64 -13.068 -4.276 -1.229 1.00 0.00 N ATOM 813 CA SER A 64 -12.383 -5.558 -1.176 1.00 0.00 C ATOM 814 C SER A 64 -11.654 -5.816 -2.496 1.00 0.00 C ATOM 815 O SER A 64 -12.170 -6.515 -3.368 1.00 0.00 O ATOM 816 CB SER A 64 -13.362 -6.692 -0.878 1.00 0.00 C ATOM 817 OG SER A 64 -14.299 -6.881 -1.936 1.00 0.00 O ATOM 0 H SER A 64 -13.969 -4.292 -1.707 1.00 0.00 H new ATOM 0 HA SER A 64 -11.653 -5.524 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.807 -7.616 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.898 -6.475 0.046 1.00 0.00 H new ATOM 0 HG SER A 64 -13.844 -6.778 -2.798 1.00 0.00 H new ATOM 823 N THR A 65 -10.465 -5.240 -2.602 1.00 0.00 N ATOM 824 CA THR A 65 -9.661 -5.399 -3.802 1.00 0.00 C ATOM 825 C THR A 65 -8.436 -6.270 -3.510 1.00 0.00 C ATOM 826 O THR A 65 -7.806 -6.130 -2.462 1.00 0.00 O ATOM 827 CB THR A 65 -9.306 -4.007 -4.322 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.381 -4.254 -5.377 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.503 -3.188 -3.308 1.00 0.00 C ATOM 0 H THR A 65 -10.039 -4.663 -1.877 1.00 0.00 H new ATOM 0 HA THR A 65 -10.214 -5.921 -4.583 1.00 0.00 H new ATOM 0 HB THR A 65 -10.221 -3.473 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.100 -3.402 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.278 -2.208 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.086 -3.066 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.572 -3.706 -3.077 1.00 0.00 H new ATOM 837 N SER A 66 -8.136 -7.150 -4.455 1.00 0.00 N ATOM 838 CA SER A 66 -6.996 -8.041 -4.313 1.00 0.00 C ATOM 839 C SER A 66 -5.797 -7.485 -5.082 1.00 0.00 C ATOM 840 O SER A 66 -5.946 -6.992 -6.199 1.00 0.00 O ATOM 841 CB SER A 66 -7.337 -9.450 -4.803 1.00 0.00 C ATOM 842 OG SER A 66 -7.352 -9.529 -6.227 1.00 0.00 O ATOM 0 H SER A 66 -8.662 -7.265 -5.321 1.00 0.00 H new ATOM 0 HA SER A 66 -6.740 -8.105 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.608 -10.158 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.311 -9.744 -4.413 1.00 0.00 H new ATOM 0 HG SER A 66 -7.572 -10.444 -6.502 1.00 0.00 H new ATOM 848 N LEU A 67 -4.635 -7.582 -4.452 1.00 0.00 N ATOM 849 CA LEU A 67 -3.409 -7.096 -5.064 1.00 0.00 C ATOM 850 C LEU A 67 -2.230 -7.940 -4.578 1.00 0.00 C ATOM 851 O LEU A 67 -2.401 -8.825 -3.739 1.00 0.00 O ATOM 852 CB LEU A 67 -3.241 -5.599 -4.806 1.00 0.00 C ATOM 853 CG LEU A 67 -3.309 -4.693 -6.038 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.182 -5.017 -7.021 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.687 -4.771 -6.700 1.00 0.00 C ATOM 0 H LEU A 67 -4.516 -7.990 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.454 -7.207 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.013 -5.283 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.280 -5.441 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.165 -3.663 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.254 -4.359 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.219 -4.869 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.269 -6.054 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.709 -4.118 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.884 -5.797 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.450 -4.453 -5.990 1.00 0.00 H new ATOM 867 N THR A 68 -1.063 -7.638 -5.125 1.00 0.00 N ATOM 868 CA THR A 68 0.144 -8.360 -4.757 1.00 0.00 C ATOM 869 C THR A 68 1.026 -7.498 -3.852 1.00 0.00 C ATOM 870 O THR A 68 1.192 -6.304 -4.096 1.00 0.00 O ATOM 871 CB THR A 68 0.841 -8.802 -6.044 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.120 -9.628 -6.695 1.00 0.00 O ATOM 873 CG2 THR A 68 2.020 -9.740 -5.779 1.00 0.00 C ATOM 0 H THR A 68 -0.926 -6.904 -5.820 1.00 0.00 H new ATOM 0 HA THR A 68 -0.090 -9.252 -4.175 1.00 0.00 H new ATOM 0 HB THR A 68 1.191 -7.924 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.250 -9.956 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.479 -10.024 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.756 -9.232 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.666 -10.634 -5.266 1.00 0.00 H new ATOM 881 N VAL A 69 1.568 -8.135 -2.826 1.00 0.00 N ATOM 882 CA VAL A 69 2.430 -7.441 -1.883 1.00 0.00 C ATOM 883 C VAL A 69 3.888 -7.589 -2.326 1.00 0.00 C ATOM 884 O VAL A 69 4.581 -8.506 -1.889 1.00 0.00 O ATOM 885 CB VAL A 69 2.179 -7.960 -0.466 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.009 -7.180 0.557 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.690 -7.907 -0.118 1.00 0.00 C ATOM 0 H VAL A 69 1.427 -9.125 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 69 2.202 -6.375 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 69 2.494 -9.003 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.813 -7.568 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.069 -7.291 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.737 -6.125 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.539 -8.282 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.338 -6.877 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.130 -8.525 -0.820 1.00 0.00 H new ATOM 897 N ARG A 70 4.307 -6.673 -3.185 1.00 0.00 N ATOM 898 CA ARG A 70 5.669 -6.691 -3.692 1.00 0.00 C ATOM 899 C ARG A 70 6.595 -5.917 -2.751 1.00 0.00 C ATOM 900 O ARG A 70 7.125 -4.869 -3.120 1.00 0.00 O ATOM 901 CB ARG A 70 5.744 -6.076 -5.090 1.00 0.00 C ATOM 902 CG ARG A 70 5.016 -6.950 -6.114 1.00 0.00 C ATOM 903 CD ARG A 70 6.010 -7.738 -6.969 1.00 0.00 C ATOM 904 NE ARG A 70 5.513 -7.839 -8.359 1.00 0.00 N ATOM 905 CZ ARG A 70 6.295 -8.060 -9.424 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.619 -8.202 -9.264 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.757 -8.138 -10.647 1.00 0.00 N ATOM 0 H ARG A 70 3.728 -5.913 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 70 5.989 -7.731 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.302 -5.080 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.787 -5.958 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.348 -7.640 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.395 -6.324 -6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.983 -7.246 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.151 -8.735 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 70 4.511 -7.734 -8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.029 -8.142 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.215 -8.370 -10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.750 -8.029 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.354 -8.306 -11.457 1.00 0.00 H new ATOM 921 N ARG A 71 6.760 -6.461 -1.555 1.00 0.00 N ATOM 922 CA ARG A 71 7.613 -5.833 -0.560 1.00 0.00 C ATOM 923 C ARG A 71 8.880 -5.282 -1.216 1.00 0.00 C ATOM 924 O ARG A 71 9.425 -4.273 -0.771 1.00 0.00 O ATOM 925 CB ARG A 71 8.005 -6.829 0.534 1.00 0.00 C ATOM 926 CG ARG A 71 8.463 -6.100 1.800 1.00 0.00 C ATOM 927 CD ARG A 71 9.787 -6.671 2.313 1.00 0.00 C ATOM 928 NE ARG A 71 9.809 -8.140 2.135 1.00 0.00 N ATOM 929 CZ ARG A 71 10.838 -8.924 2.482 1.00 0.00 C ATOM 930 NH1 ARG A 71 11.937 -8.384 3.028 1.00 0.00 N ATOM 931 NH2 ARG A 71 10.768 -10.248 2.285 1.00 0.00 N ATOM 0 H ARG A 71 6.318 -7.329 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 71 7.050 -5.016 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.156 -7.472 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.805 -7.476 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.578 -5.037 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.700 -6.191 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.620 -6.219 1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.916 -6.422 3.366 1.00 0.00 H new ATOM 0 HE ARG A 71 8.989 -8.583 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.989 -7.377 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.721 -8.981 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.931 -10.658 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.552 -10.845 2.549 1.00 0.00 H new ATOM 945 N SER A 72 9.310 -5.967 -2.265 1.00 0.00 N ATOM 946 CA SER A 72 10.503 -5.558 -2.987 1.00 0.00 C ATOM 947 C SER A 72 10.111 -4.857 -4.290 1.00 0.00 C ATOM 948 O SER A 72 9.333 -5.395 -5.080 1.00 0.00 O ATOM 949 CB SER A 72 11.408 -6.757 -3.281 1.00 0.00 C ATOM 950 OG SER A 72 11.952 -6.704 -4.597 1.00 0.00 O ATOM 0 H SER A 72 8.854 -6.802 -2.632 1.00 0.00 H new ATOM 0 HA SER A 72 11.060 -4.862 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.220 -6.786 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.839 -7.679 -3.160 1.00 0.00 H new ATOM 0 HG SER A 72 12.525 -7.485 -4.746 1.00 0.00 H new ATOM 956 N PHE A 73 10.666 -3.669 -4.475 1.00 0.00 N ATOM 957 CA PHE A 73 10.384 -2.890 -5.669 1.00 0.00 C ATOM 958 C PHE A 73 11.028 -1.504 -5.584 1.00 0.00 C ATOM 959 O PHE A 73 11.467 -1.084 -4.513 1.00 0.00 O ATOM 960 CB PHE A 73 8.865 -2.729 -5.750 1.00 0.00 C ATOM 961 CG PHE A 73 8.247 -3.293 -7.032 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.965 -3.299 -8.188 1.00 0.00 C ATOM 963 CD2 PHE A 73 6.981 -3.789 -7.015 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.390 -3.821 -9.377 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.408 -4.313 -8.202 1.00 0.00 C ATOM 966 CZ PHE A 73 7.125 -4.318 -9.360 1.00 0.00 C ATOM 0 H PHE A 73 11.309 -3.227 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 73 10.787 -3.396 -6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.411 -3.224 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.618 -1.670 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.971 -2.907 -8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.412 -3.784 -6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.958 -3.823 -10.295 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.403 -4.708 -8.188 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.689 -4.717 -10.264 1.00 0.00 H new ATOM 976 N GLU A 74 11.062 -0.832 -6.723 1.00 0.00 N ATOM 977 CA GLU A 74 11.643 0.498 -6.792 1.00 0.00 C ATOM 978 C GLU A 74 10.627 1.547 -6.335 1.00 0.00 C ATOM 979 O GLU A 74 9.672 1.842 -7.050 1.00 0.00 O ATOM 980 CB GLU A 74 12.152 0.805 -8.202 1.00 0.00 C ATOM 981 CG GLU A 74 12.724 2.222 -8.285 1.00 0.00 C ATOM 982 CD GLU A 74 14.229 2.189 -8.548 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.597 2.185 -9.744 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.981 2.171 -7.550 1.00 0.00 O ATOM 0 H GLU A 74 10.696 -1.183 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 74 12.499 0.532 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.920 0.083 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.337 0.696 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.224 2.774 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.525 2.754 -7.354 1.00 0.00 H new ATOM 992 N GLY A 75 10.870 2.080 -5.147 1.00 0.00 N ATOM 993 CA GLY A 75 9.986 3.089 -4.587 1.00 0.00 C ATOM 994 C GLY A 75 10.114 4.411 -5.345 1.00 0.00 C ATOM 995 O GLY A 75 11.018 4.579 -6.162 1.00 0.00 O ATOM 0 H GLY A 75 11.665 1.833 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.955 2.739 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.226 3.244 -3.535 1.00 0.00 H new ATOM 999 N PHE A 76 9.193 5.319 -5.049 1.00 0.00 N ATOM 1000 CA PHE A 76 9.191 6.621 -5.694 1.00 0.00 C ATOM 1001 C PHE A 76 8.789 7.720 -4.708 1.00 0.00 C ATOM 1002 O PHE A 76 7.715 7.659 -4.110 1.00 0.00 O ATOM 1003 CB PHE A 76 8.160 6.560 -6.822 1.00 0.00 C ATOM 1004 CG PHE A 76 7.332 7.837 -6.976 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.252 8.049 -6.176 1.00 0.00 C ATOM 1006 CD2 PHE A 76 7.673 8.762 -7.914 1.00 0.00 C ATOM 1007 CE1 PHE A 76 5.483 9.234 -6.318 1.00 0.00 C ATOM 1008 CE2 PHE A 76 6.905 9.946 -8.058 1.00 0.00 C ATOM 1009 CZ PHE A 76 5.825 10.158 -7.257 1.00 0.00 C ATOM 0 H PHE A 76 8.444 5.178 -4.371 1.00 0.00 H new ATOM 0 HA PHE A 76 10.188 6.853 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.675 6.357 -7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.487 5.722 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.979 7.315 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.530 8.594 -8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.627 9.402 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.177 10.679 -8.803 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.240 11.059 -7.367 1.00 0.00 H new ATOM 1019 N LEU A 77 9.672 8.699 -4.569 1.00 0.00 N ATOM 1020 CA LEU A 77 9.421 9.809 -3.666 1.00 0.00 C ATOM 1021 C LEU A 77 8.129 10.517 -4.082 1.00 0.00 C ATOM 1022 O LEU A 77 7.786 10.548 -5.262 1.00 0.00 O ATOM 1023 CB LEU A 77 10.637 10.735 -3.606 1.00 0.00 C ATOM 1024 CG LEU A 77 11.995 10.050 -3.441 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.678 9.856 -4.796 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.879 10.814 -2.455 1.00 0.00 C ATOM 0 H LEU A 77 10.561 8.746 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 77 9.274 9.447 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.661 11.330 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.499 11.429 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 77 11.829 9.058 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.641 9.367 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.049 9.236 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.831 10.826 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.838 10.305 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.042 11.827 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.388 10.855 -1.483 1.00 0.00 H new ATOM 1038 N PHE A 78 7.447 11.069 -3.088 1.00 0.00 N ATOM 1039 CA PHE A 78 6.203 11.773 -3.334 1.00 0.00 C ATOM 1040 C PHE A 78 6.440 13.034 -4.171 1.00 0.00 C ATOM 1041 O PHE A 78 5.589 13.424 -4.966 1.00 0.00 O ATOM 1042 CB PHE A 78 5.640 12.181 -1.970 1.00 0.00 C ATOM 1043 CG PHE A 78 6.547 13.129 -1.184 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.554 14.458 -1.473 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.345 12.645 -0.194 1.00 0.00 C ATOM 1046 CE1 PHE A 78 7.395 15.338 -0.742 1.00 0.00 C ATOM 1047 CE2 PHE A 78 8.185 13.524 0.537 1.00 0.00 C ATOM 1048 CZ PHE A 78 8.193 14.854 0.248 1.00 0.00 C ATOM 0 H PHE A 78 7.735 11.042 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 78 5.516 11.129 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.671 12.658 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.467 11.284 -1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.920 14.844 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.339 11.590 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.401 16.393 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.818 13.138 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.832 15.524 0.804 1.00 0.00 H new ATOM 1058 N ASP A 79 7.605 13.629 -3.962 1.00 0.00 N ATOM 1059 CA ASP A 79 7.967 14.836 -4.687 1.00 0.00 C ATOM 1060 C ASP A 79 7.650 14.647 -6.173 1.00 0.00 C ATOM 1061 O ASP A 79 7.065 15.526 -6.803 1.00 0.00 O ATOM 1062 CB ASP A 79 9.462 15.130 -4.555 1.00 0.00 C ATOM 1063 CG ASP A 79 9.886 16.536 -4.987 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.104 17.472 -4.714 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.979 16.641 -5.582 1.00 0.00 O ATOM 0 H ASP A 79 8.310 13.299 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 79 7.399 15.666 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.756 14.982 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.014 14.402 -5.149 1.00 0.00 H new ATOM 1071 N GLY A 80 8.053 13.495 -6.688 1.00 0.00 N ATOM 1072 CA GLY A 80 7.819 13.180 -8.087 1.00 0.00 C ATOM 1073 C GLY A 80 8.976 12.361 -8.664 1.00 0.00 C ATOM 1074 O GLY A 80 8.846 11.764 -9.732 1.00 0.00 O ATOM 0 H GLY A 80 8.540 12.769 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.888 12.622 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.701 14.102 -8.657 1.00 0.00 H new ATOM 1078 N THR A 81 10.080 12.356 -7.931 1.00 0.00 N ATOM 1079 CA THR A 81 11.259 11.619 -8.357 1.00 0.00 C ATOM 1080 C THR A 81 11.227 10.195 -7.797 1.00 0.00 C ATOM 1081 O THR A 81 10.613 9.945 -6.760 1.00 0.00 O ATOM 1082 CB THR A 81 12.494 12.413 -7.928 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.516 13.526 -8.820 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.798 11.673 -8.224 1.00 0.00 C ATOM 0 H THR A 81 10.183 12.850 -7.045 1.00 0.00 H new ATOM 0 HA THR A 81 11.287 11.509 -9.441 1.00 0.00 H new ATOM 0 HB THR A 81 12.435 12.629 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.285 14.097 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.643 12.281 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.807 10.724 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.875 11.486 -9.295 1.00 0.00 H new ATOM 1092 N ARG A 82 11.899 9.300 -8.507 1.00 0.00 N ATOM 1093 CA ARG A 82 11.956 7.907 -8.094 1.00 0.00 C ATOM 1094 C ARG A 82 13.168 7.670 -7.193 1.00 0.00 C ATOM 1095 O ARG A 82 14.243 8.220 -7.435 1.00 0.00 O ATOM 1096 CB ARG A 82 12.038 6.977 -9.304 1.00 0.00 C ATOM 1097 CG ARG A 82 13.333 7.207 -10.085 1.00 0.00 C ATOM 1098 CD ARG A 82 13.056 7.325 -11.584 1.00 0.00 C ATOM 1099 NE ARG A 82 12.882 8.748 -11.955 1.00 0.00 N ATOM 1100 CZ ARG A 82 13.895 9.601 -12.158 1.00 0.00 C ATOM 1101 NH1 ARG A 82 15.161 9.181 -12.031 1.00 0.00 N ATOM 1102 NH2 ARG A 82 13.643 10.875 -12.493 1.00 0.00 N ATOM 0 H ARG A 82 12.408 9.512 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 82 11.042 7.687 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.988 5.939 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.181 7.146 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.820 8.115 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.023 6.383 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.880 6.891 -12.150 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.160 6.761 -11.842 1.00 0.00 H new ATOM 0 HE ARG A 82 11.931 9.101 -12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.354 8.211 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.932 9.831 -12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.680 11.195 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.415 11.524 -12.647 1.00 0.00 H new ATOM 1116 N TRP A 83 12.957 6.853 -6.172 1.00 0.00 N ATOM 1117 CA TRP A 83 14.021 6.537 -5.234 1.00 0.00 C ATOM 1118 C TRP A 83 14.488 5.106 -5.513 1.00 0.00 C ATOM 1119 O TRP A 83 15.366 4.889 -6.348 1.00 0.00 O ATOM 1120 CB TRP A 83 13.560 6.744 -3.791 1.00 0.00 C ATOM 1121 CG TRP A 83 14.596 6.338 -2.740 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.772 5.135 -2.177 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.598 7.191 -2.148 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.810 5.151 -1.267 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.329 6.440 -1.250 1.00 0.00 C ATOM 1126 CE3 TRP A 83 15.878 8.552 -2.364 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.387 6.963 -0.496 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 16.938 9.059 -1.603 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.683 8.317 -0.696 1.00 0.00 C ATOM 0 H TRP A 83 12.065 6.400 -5.973 1.00 0.00 H new ATOM 0 HA TRP A 83 14.866 7.212 -5.369 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.307 7.795 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.648 6.171 -3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.177 4.263 -2.406 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.136 4.362 -0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.319 9.158 -3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.944 6.355 0.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.194 10.100 -1.730 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.488 8.783 -0.147 1.00 0.00 H new ATOM 1140 N GLY A 84 13.882 4.171 -4.799 1.00 0.00 N ATOM 1141 CA GLY A 84 14.224 2.767 -4.959 1.00 0.00 C ATOM 1142 C GLY A 84 13.896 1.974 -3.695 1.00 0.00 C ATOM 1143 O GLY A 84 12.728 1.766 -3.372 1.00 0.00 O ATOM 0 H GLY A 84 13.156 4.357 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.678 2.351 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.286 2.672 -5.187 1.00 0.00 H new ATOM 1147 N THR A 85 14.950 1.553 -3.009 1.00 0.00 N ATOM 1148 CA THR A 85 14.789 0.787 -1.783 1.00 0.00 C ATOM 1149 C THR A 85 14.758 -0.711 -2.092 1.00 0.00 C ATOM 1150 O THR A 85 15.525 -1.483 -1.517 1.00 0.00 O ATOM 1151 CB THR A 85 13.528 1.288 -1.075 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.677 2.705 -1.063 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.496 0.903 0.404 1.00 0.00 C ATOM 0 H THR A 85 15.918 1.728 -3.279 1.00 0.00 H new ATOM 0 HA THR A 85 15.635 0.931 -1.111 1.00 0.00 H new ATOM 0 HB THR A 85 12.647 0.885 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.617 2.936 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.581 1.282 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.525 -0.183 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.359 1.334 0.911 1.00 0.00 H new ATOM 1161 N VAL A 86 13.863 -1.078 -2.999 1.00 0.00 N ATOM 1162 CA VAL A 86 13.722 -2.471 -3.390 1.00 0.00 C ATOM 1163 C VAL A 86 13.158 -3.273 -2.215 1.00 0.00 C ATOM 1164 O VAL A 86 11.970 -3.178 -1.909 1.00 0.00 O ATOM 1165 CB VAL A 86 15.063 -3.011 -3.893 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.934 -4.469 -4.338 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.615 -2.140 -5.023 1.00 0.00 C ATOM 0 H VAL A 86 13.229 -0.435 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 86 13.017 -2.566 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 86 15.771 -2.975 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.901 -4.829 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.605 -5.079 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.204 -4.540 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.568 -2.545 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.909 -2.130 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.762 -1.123 -4.660 1.00 0.00 H new ATOM 1177 N ASP A 87 14.036 -4.041 -1.588 1.00 0.00 N ATOM 1178 CA ASP A 87 13.639 -4.859 -0.454 1.00 0.00 C ATOM 1179 C ASP A 87 13.191 -3.949 0.693 1.00 0.00 C ATOM 1180 O ASP A 87 14.014 -3.500 1.489 1.00 0.00 O ATOM 1181 CB ASP A 87 14.808 -5.710 0.046 1.00 0.00 C ATOM 1182 CG ASP A 87 16.081 -5.623 -0.800 1.00 0.00 C ATOM 1183 OD1 ASP A 87 16.811 -4.622 -0.625 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.295 -6.556 -1.601 1.00 0.00 O ATOM 0 H ASP A 87 15.021 -4.115 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 87 12.829 -5.513 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.047 -5.409 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.488 -6.751 0.088 1.00 0.00 H new ATOM 1190 N CYS A 88 11.890 -3.706 0.737 1.00 0.00 N ATOM 1191 CA CYS A 88 11.325 -2.857 1.773 1.00 0.00 C ATOM 1192 C CYS A 88 11.387 -3.614 3.101 1.00 0.00 C ATOM 1193 O CYS A 88 10.358 -3.869 3.724 1.00 0.00 O ATOM 1194 CB CYS A 88 9.898 -2.424 1.431 1.00 0.00 C ATOM 1195 SG CYS A 88 8.992 -1.612 2.798 1.00 0.00 S ATOM 0 H CYS A 88 11.212 -4.081 0.074 1.00 0.00 H new ATOM 0 HA CYS A 88 11.906 -1.938 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.934 -1.741 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.335 -3.300 1.111 1.00 0.00 H new ATOM 1200 N THR A 89 12.605 -3.952 3.496 1.00 0.00 N ATOM 1201 CA THR A 89 12.818 -4.675 4.739 1.00 0.00 C ATOM 1202 C THR A 89 13.199 -3.706 5.859 1.00 0.00 C ATOM 1203 O THR A 89 13.068 -4.034 7.039 1.00 0.00 O ATOM 1204 CB THR A 89 13.870 -5.754 4.484 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.864 -6.535 5.678 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.289 -5.187 4.417 1.00 0.00 C ATOM 0 H THR A 89 13.456 -3.738 2.977 1.00 0.00 H new ATOM 0 HA THR A 89 11.904 -5.166 5.074 1.00 0.00 H new ATOM 0 HB THR A 89 13.641 -6.269 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.518 -7.260 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.996 -5.996 4.234 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.352 -4.460 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.531 -4.700 5.362 1.00 0.00 H new ATOM 1214 N THR A 90 13.663 -2.534 5.453 1.00 0.00 N ATOM 1215 CA THR A 90 14.066 -1.516 6.409 1.00 0.00 C ATOM 1216 C THR A 90 12.867 -0.650 6.801 1.00 0.00 C ATOM 1217 O THR A 90 12.570 -0.495 7.983 1.00 0.00 O ATOM 1218 CB THR A 90 15.217 -0.718 5.794 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.314 -1.628 5.804 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.677 0.431 6.690 1.00 0.00 C ATOM 0 H THR A 90 13.769 -2.266 4.475 1.00 0.00 H new ATOM 0 HA THR A 90 14.422 -1.963 7.337 1.00 0.00 H new ATOM 0 HB THR A 90 14.908 -0.321 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.104 -1.193 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.495 0.964 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.846 1.116 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.018 0.033 7.646 1.00 0.00 H new ATOM 1228 N ALA A 91 12.212 -0.107 5.784 1.00 0.00 N ATOM 1229 CA ALA A 91 11.053 0.739 6.008 1.00 0.00 C ATOM 1230 C ALA A 91 9.789 -0.124 6.010 1.00 0.00 C ATOM 1231 O ALA A 91 9.770 -1.205 5.423 1.00 0.00 O ATOM 1232 CB ALA A 91 11.008 1.835 4.942 1.00 0.00 C ATOM 0 H ALA A 91 12.463 -0.237 4.804 1.00 0.00 H new ATOM 0 HA ALA A 91 11.118 1.230 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.138 2.470 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.914 2.438 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.939 1.379 3.954 1.00 0.00 H new ATOM 1238 N ALA A 92 8.764 0.386 6.677 1.00 0.00 N ATOM 1239 CA ALA A 92 7.499 -0.325 6.763 1.00 0.00 C ATOM 1240 C ALA A 92 6.605 0.090 5.593 1.00 0.00 C ATOM 1241 O ALA A 92 6.272 1.264 5.450 1.00 0.00 O ATOM 1242 CB ALA A 92 6.849 -0.048 8.120 1.00 0.00 C ATOM 0 H ALA A 92 8.783 1.283 7.163 1.00 0.00 H new ATOM 0 HA ALA A 92 7.658 -1.401 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.900 -0.581 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.511 -0.387 8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.672 1.022 8.227 1.00 0.00 H new ATOM 1248 N CYS A 93 6.245 -0.897 4.787 1.00 0.00 N ATOM 1249 CA CYS A 93 5.395 -0.649 3.634 1.00 0.00 C ATOM 1250 C CYS A 93 3.937 -0.808 4.068 1.00 0.00 C ATOM 1251 O CYS A 93 3.539 -1.871 4.544 1.00 0.00 O ATOM 1252 CB CYS A 93 5.747 -1.573 2.465 1.00 0.00 C ATOM 1253 SG CYS A 93 7.228 -2.615 2.728 1.00 0.00 S ATOM 0 H CYS A 93 6.526 -1.870 4.909 1.00 0.00 H new ATOM 0 HA CYS A 93 5.555 0.366 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.895 -2.222 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.902 -0.965 1.574 1.00 0.00 H new ATOM 1258 N GLN A 94 3.179 0.263 3.887 1.00 0.00 N ATOM 1259 CA GLN A 94 1.774 0.256 4.252 1.00 0.00 C ATOM 1260 C GLN A 94 0.901 0.087 3.008 1.00 0.00 C ATOM 1261 O GLN A 94 0.973 0.894 2.082 1.00 0.00 O ATOM 1262 CB GLN A 94 1.400 1.528 5.017 1.00 0.00 C ATOM 1263 CG GLN A 94 2.136 1.599 6.356 1.00 0.00 C ATOM 1264 CD GLN A 94 2.437 3.049 6.740 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.552 3.845 7.011 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.734 3.349 6.746 1.00 0.00 N ATOM 0 H GLN A 94 3.512 1.142 3.492 1.00 0.00 H new ATOM 0 HA GLN A 94 1.596 -0.592 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.646 2.404 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.324 1.551 5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.531 1.131 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.067 1.035 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.424 2.636 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.038 4.292 6.987 1.00 0.00 H new ATOM 1275 N VAL A 95 0.097 -0.965 3.025 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.788 -1.249 1.909 1.00 0.00 C ATOM 1277 C VAL A 95 -2.125 -0.538 2.131 1.00 0.00 C ATOM 1278 O VAL A 95 -2.860 -0.865 3.059 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.940 -2.761 1.732 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.690 -3.091 0.441 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.425 -3.456 1.764 1.00 0.00 C ATOM 0 H VAL A 95 0.040 -1.632 3.795 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.365 -0.867 0.980 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.530 -3.137 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.784 -4.172 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.683 -2.642 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.139 -2.694 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.290 -4.530 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.049 -3.070 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.909 -3.263 2.721 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.397 0.422 1.259 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.633 1.185 1.347 1.00 0.00 C ATOM 1293 C GLY A 96 -3.869 1.994 0.071 1.00 0.00 C ATOM 1294 O GLY A 96 -3.022 2.019 -0.821 1.00 0.00 O ATOM 0 H GLY A 96 -1.784 0.689 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.471 0.508 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.590 1.856 2.205 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.026 2.641 0.024 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.384 3.450 -1.127 1.00 0.00 C ATOM 1300 C LEU A 97 -5.298 4.930 -0.751 1.00 0.00 C ATOM 1301 O LEU A 97 -5.748 5.330 0.319 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.753 3.032 -1.671 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.836 2.762 -0.624 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.113 3.543 -0.943 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.101 1.262 -0.484 1.00 0.00 C ATOM 0 H LEU A 97 -5.726 2.620 0.765 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.679 3.286 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.110 3.814 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.624 2.132 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.475 3.116 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.867 3.334 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.894 4.611 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.489 3.242 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.875 1.098 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.433 0.860 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.185 0.758 -0.177 1.00 0.00 H new ATOM 1317 N SER A 98 -4.713 5.704 -1.655 1.00 0.00 N ATOM 1318 CA SER A 98 -4.561 7.131 -1.433 1.00 0.00 C ATOM 1319 C SER A 98 -5.740 7.887 -2.052 1.00 0.00 C ATOM 1320 O SER A 98 -6.317 7.440 -3.042 1.00 0.00 O ATOM 1321 CB SER A 98 -3.241 7.641 -2.011 1.00 0.00 C ATOM 1322 OG SER A 98 -3.246 7.640 -3.437 1.00 0.00 O ATOM 0 H SER A 98 -4.339 5.368 -2.543 1.00 0.00 H new ATOM 0 HA SER A 98 -4.548 7.310 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.054 8.652 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.423 7.017 -1.651 1.00 0.00 H new ATOM 0 HG SER A 98 -2.386 7.974 -3.767 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.063 9.019 -1.442 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.161 9.840 -1.922 1.00 0.00 C ATOM 1330 C ASP A 99 -6.643 10.799 -2.996 1.00 0.00 C ATOM 1331 O ASP A 99 -5.449 11.091 -3.052 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.757 10.676 -0.790 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.392 10.210 0.622 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -8.333 9.864 1.367 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.178 10.209 0.921 1.00 0.00 O ATOM 0 H ASP A 99 -5.583 9.386 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.928 9.178 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.430 11.709 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.843 10.671 -0.888 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.568 11.263 -3.823 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.221 12.184 -4.894 1.00 0.00 C ATOM 1343 C ALA A 100 -7.345 13.622 -4.384 1.00 0.00 C ATOM 1344 O ALA A 100 -7.391 14.562 -5.175 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.114 11.917 -6.107 1.00 0.00 C ATOM 0 H ALA A 100 -8.557 11.019 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.189 12.034 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.854 12.607 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.967 10.892 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.158 12.061 -5.829 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.395 13.746 -3.065 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.512 15.053 -2.441 1.00 0.00 C ATOM 1353 C ALA A 101 -6.165 15.445 -1.833 1.00 0.00 C ATOM 1354 O ALA A 101 -5.946 16.610 -1.501 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.635 15.022 -1.403 1.00 0.00 C ATOM 0 H ALA A 101 -7.357 12.963 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.772 15.811 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.724 16.002 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.575 14.767 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.407 14.275 -0.643 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.298 14.451 -1.705 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.978 14.677 -1.140 1.00 0.00 C ATOM 1363 C GLY A 102 -3.991 14.495 0.378 1.00 0.00 C ATOM 1364 O GLY A 102 -3.431 15.308 1.110 1.00 0.00 O ATOM 0 H GLY A 102 -5.484 13.487 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.264 13.984 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.641 15.684 -1.386 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.637 13.421 0.806 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.730 13.119 2.226 1.00 0.00 C ATOM 1370 C ASN A 103 -4.041 11.783 2.504 1.00 0.00 C ATOM 1371 O ASN A 103 -3.760 11.020 1.582 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.191 13.000 2.668 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.975 14.265 2.318 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -6.440 15.243 1.821 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -8.273 14.194 2.602 1.00 0.00 N ATOM 0 H ASN A 103 -5.101 12.749 0.196 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.251 13.929 2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.651 12.138 2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.236 12.826 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.882 14.988 2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.659 13.346 3.017 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.787 11.539 3.783 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.137 10.308 4.194 1.00 0.00 C ATOM 1384 C GLY A 104 -4.132 9.358 4.863 1.00 0.00 C ATOM 1385 O GLY A 104 -4.487 9.544 6.027 1.00 0.00 O ATOM 0 H GLY A 104 -4.020 12.174 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.691 9.821 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.325 10.535 4.885 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.565 8.335 4.079 1.00 0.00 N ATOM 1390 CA PRO A 105 -5.512 7.355 4.584 1.00 0.00 C ATOM 1391 C PRO A 105 -4.833 6.377 5.544 1.00 0.00 C ATOM 1392 O PRO A 105 -3.653 6.527 5.854 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.073 6.677 3.345 1.00 0.00 C ATOM 1394 CG PRO A 105 -5.089 6.973 2.224 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.166 8.084 2.697 1.00 0.00 C ATOM 0 HA PRO A 105 -6.311 7.807 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.176 5.603 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.065 7.061 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.515 6.081 1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.619 7.275 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.120 7.783 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.277 8.979 2.084 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.608 5.398 5.987 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.093 4.397 6.906 1.00 0.00 C ATOM 1405 C GLU A 106 -4.520 3.210 6.129 1.00 0.00 C ATOM 1406 O GLU A 106 -5.258 2.471 5.480 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.181 3.939 7.881 1.00 0.00 C ATOM 1408 CG GLU A 106 -5.971 4.557 9.264 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.222 5.309 9.724 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.212 6.553 9.605 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -8.160 4.623 10.187 1.00 0.00 O ATOM 0 H GLU A 106 -6.587 5.277 5.727 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.290 4.846 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.161 4.222 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.171 2.852 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.728 3.775 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.122 5.240 9.236 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.205 3.065 6.223 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.523 1.980 5.538 1.00 0.00 C ATOM 1421 C GLY A 107 -2.164 0.856 6.509 1.00 0.00 C ATOM 1422 O GLY A 107 -1.992 1.094 7.704 1.00 0.00 O ATOM 0 H GLY A 107 -2.596 3.680 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.160 1.590 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.617 2.358 5.063 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.062 -0.346 5.963 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.727 -1.509 6.768 1.00 0.00 C ATOM 1428 C VAL A 108 -0.247 -1.845 6.581 1.00 0.00 C ATOM 1429 O VAL A 108 0.139 -2.426 5.567 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.654 -2.674 6.416 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.261 -3.301 5.076 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.665 -3.724 7.530 1.00 0.00 C ATOM 0 H VAL A 108 -2.205 -0.541 4.972 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.881 -1.297 7.826 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.665 -2.279 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.935 -4.127 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.329 -2.550 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.238 -3.673 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.332 -4.541 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.657 -4.112 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.014 -3.268 8.456 1.00 0.00 H new ATOM 1442 N ALA A 109 0.544 -1.463 7.575 1.00 0.00 N ATOM 1443 CA ALA A 109 1.973 -1.718 7.534 1.00 0.00 C ATOM 1444 C ALA A 109 2.218 -3.223 7.405 1.00 0.00 C ATOM 1445 O ALA A 109 2.404 -3.911 8.407 1.00 0.00 O ATOM 1446 CB ALA A 109 2.635 -1.122 8.777 1.00 0.00 C ATOM 0 H ALA A 109 0.221 -0.979 8.413 1.00 0.00 H new ATOM 0 HA ALA A 109 2.422 -1.238 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.708 -1.314 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.459 -0.047 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.211 -1.580 9.670 1.00 0.00 H new ATOM 1452 N ILE A 110 2.207 -3.689 6.166 1.00 0.00 N ATOM 1453 CA ILE A 110 2.425 -5.100 5.896 1.00 0.00 C ATOM 1454 C ILE A 110 3.925 -5.395 5.927 1.00 0.00 C ATOM 1455 O ILE A 110 4.742 -4.506 5.692 1.00 0.00 O ATOM 1456 CB ILE A 110 1.746 -5.506 4.584 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.115 -6.894 4.700 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.725 -5.416 3.411 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.819 -7.479 3.318 1.00 0.00 C ATOM 0 H ILE A 110 2.051 -3.115 5.337 1.00 0.00 H new ATOM 0 HA ILE A 110 1.963 -5.712 6.671 1.00 0.00 H new ATOM 0 HB ILE A 110 0.938 -4.802 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.787 -7.558 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.193 -6.831 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.219 -5.709 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.086 -4.392 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.569 -6.083 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.371 -8.466 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.128 -6.825 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.747 -7.563 2.752 1.00 0.00 H new ATOM 1471 N SER A 111 4.244 -6.647 6.222 1.00 0.00 N ATOM 1472 CA SER A 111 5.632 -7.073 6.288 1.00 0.00 C ATOM 1473 C SER A 111 5.760 -8.310 7.179 1.00 0.00 C ATOM 1474 O SER A 111 6.162 -9.375 6.715 1.00 0.00 O ATOM 1475 CB SER A 111 6.527 -5.948 6.810 1.00 0.00 C ATOM 1476 OG SER A 111 7.121 -5.203 5.751 1.00 0.00 O ATOM 0 H SER A 111 3.564 -7.381 6.418 1.00 0.00 H new ATOM 0 HA SER A 111 5.960 -7.326 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.939 -5.279 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.310 -6.370 7.440 1.00 0.00 H new ATOM 0 HG SER A 111 6.489 -4.525 5.433 1.00 0.00 H new