USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=28 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= -5.54! F(o=-11,f=-9.8!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -5.28! C(o=-11!,f=-9.8!) USER MOD Set 1.3: A 85 THR OG1 : rot 120:sc= 1.01 USER MOD Single : A 4 THR OG1 : rot -43:sc= 0.637 USER MOD Single : A 6 THR OG1 : rot -101:sc= 0.0488 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -95:sc= 0.28 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -150:sc= -1.83 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -4.19 K(o=-4.2,f=-8!) USER MOD Single : A 30 THR OG1 : rot 112:sc= 0.915 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 82:sc= -2.57! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 60 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.8!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.63 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.421 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -92:sc= 0.903 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 89 THR OG1 : rot -32:sc= 0.268 USER MOD Single : A 90 THR OG1 : rot 1:sc= 0.784 USER MOD Single : A 94 GLN : amide:sc= -0.0772 K(o=-0.077,f=-1.3) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.556 F(o=-1.1,f=-0.56) USER MOD Single : A 111 SER OG : rot 74:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -10.341 -3.148 10.052 1.00 0.00 N ATOM 22 CA PRO A 3 -11.086 -2.015 9.528 1.00 0.00 C ATOM 23 C PRO A 3 -10.426 -1.462 8.264 1.00 0.00 C ATOM 24 O PRO A 3 -9.280 -1.791 7.963 1.00 0.00 O ATOM 25 CB PRO A 3 -11.122 -1.009 10.667 1.00 0.00 C ATOM 26 CG PRO A 3 -10.008 -1.416 11.619 1.00 0.00 C ATOM 27 CD PRO A 3 -9.562 -2.820 11.242 1.00 0.00 C ATOM 0 HA PRO A 3 -12.096 -2.283 9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.969 0.005 10.297 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.089 -1.022 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.173 -0.719 11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.359 -1.391 12.651 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.492 -2.854 11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.755 -3.527 12.049 1.00 0.00 H new ATOM 35 N THR A 4 -11.181 -0.635 7.557 1.00 0.00 N ATOM 36 CA THR A 4 -10.683 -0.033 6.330 1.00 0.00 C ATOM 37 C THR A 4 -9.956 -1.077 5.482 1.00 0.00 C ATOM 38 O THR A 4 -10.059 -2.274 5.741 1.00 0.00 O ATOM 39 CB THR A 4 -9.805 1.160 6.711 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.497 0.609 6.821 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.106 1.685 8.116 1.00 0.00 C ATOM 0 H THR A 4 -12.132 -0.367 7.809 1.00 0.00 H new ATOM 0 HA THR A 4 -11.500 0.333 5.708 1.00 0.00 H new ATOM 0 HB THR A 4 -9.949 1.961 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.542 -0.248 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.455 2.531 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.147 2.004 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.931 0.894 8.845 1.00 0.00 H new ATOM 49 N ALA A 5 -9.235 -0.584 4.483 1.00 0.00 N ATOM 50 CA ALA A 5 -8.492 -1.459 3.594 1.00 0.00 C ATOM 51 C ALA A 5 -7.309 -2.065 4.352 1.00 0.00 C ATOM 52 O ALA A 5 -6.440 -1.338 4.838 1.00 0.00 O ATOM 53 CB ALA A 5 -8.049 -0.674 2.358 1.00 0.00 C ATOM 0 H ALA A 5 -9.151 0.410 4.271 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.121 -2.281 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.491 -1.331 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.926 -0.288 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.414 0.157 2.663 1.00 0.00 H new ATOM 59 N THR A 6 -7.312 -3.387 4.433 1.00 0.00 N ATOM 60 CA THR A 6 -6.251 -4.097 5.127 1.00 0.00 C ATOM 61 C THR A 6 -5.875 -5.369 4.364 1.00 0.00 C ATOM 62 O THR A 6 -6.731 -6.005 3.751 1.00 0.00 O ATOM 63 CB THR A 6 -6.717 -4.365 6.559 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.125 -4.546 6.437 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.578 -3.134 7.458 1.00 0.00 C ATOM 0 H THR A 6 -8.033 -3.986 4.029 1.00 0.00 H new ATOM 0 HA THR A 6 -5.341 -3.499 5.173 1.00 0.00 H new ATOM 0 HB THR A 6 -6.143 -5.191 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.585 -3.724 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.922 -3.377 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.533 -2.828 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.180 -2.320 7.055 1.00 0.00 H new ATOM 73 N VAL A 7 -4.593 -5.699 4.425 1.00 0.00 N ATOM 74 CA VAL A 7 -4.092 -6.883 3.747 1.00 0.00 C ATOM 75 C VAL A 7 -4.202 -8.087 4.683 1.00 0.00 C ATOM 76 O VAL A 7 -3.501 -8.160 5.691 1.00 0.00 O ATOM 77 CB VAL A 7 -2.665 -6.639 3.251 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.909 -7.958 3.086 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.667 -5.839 1.949 1.00 0.00 C ATOM 0 H VAL A 7 -3.886 -5.167 4.933 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.695 -7.101 2.865 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.144 -6.048 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.898 -7.756 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.862 -8.473 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.428 -8.587 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.641 -5.680 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.213 -6.391 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.149 -4.875 2.115 1.00 0.00 H new ATOM 89 N THR A 8 -5.088 -9.002 4.318 1.00 0.00 N ATOM 90 CA THR A 8 -5.299 -10.199 5.115 1.00 0.00 C ATOM 91 C THR A 8 -3.960 -10.866 5.441 1.00 0.00 C ATOM 92 O THR A 8 -3.554 -10.914 6.601 1.00 0.00 O ATOM 93 CB THR A 8 -6.262 -11.111 4.349 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.534 -10.840 4.932 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.023 -12.594 4.647 1.00 0.00 C ATOM 0 H THR A 8 -5.668 -8.939 3.481 1.00 0.00 H new ATOM 0 HA THR A 8 -5.750 -9.960 6.078 1.00 0.00 H new ATOM 0 HB THR A 8 -6.158 -10.934 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.218 -11.388 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.731 -13.198 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.006 -12.863 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.161 -12.778 5.712 1.00 0.00 H new ATOM 103 N PRO A 9 -3.296 -11.376 4.370 1.00 0.00 N ATOM 104 CA PRO A 9 -2.012 -12.036 4.532 1.00 0.00 C ATOM 105 C PRO A 9 -0.900 -11.016 4.781 1.00 0.00 C ATOM 106 O PRO A 9 0.060 -10.937 4.015 1.00 0.00 O ATOM 107 CB PRO A 9 -1.814 -12.828 3.249 1.00 0.00 C ATOM 108 CG PRO A 9 -2.764 -12.220 2.231 1.00 0.00 C ATOM 109 CD PRO A 9 -3.746 -11.335 2.981 1.00 0.00 C ATOM 0 HA PRO A 9 -1.983 -12.694 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.781 -12.764 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.033 -13.884 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.212 -11.638 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.293 -13.003 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.738 -10.317 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.767 -11.705 2.884 1.00 0.00 H new ATOM 117 N SER A 10 -1.061 -10.263 5.858 1.00 0.00 N ATOM 118 CA SER A 10 -0.082 -9.252 6.220 1.00 0.00 C ATOM 119 C SER A 10 0.990 -9.863 7.127 1.00 0.00 C ATOM 120 O SER A 10 1.582 -9.166 7.946 1.00 0.00 O ATOM 121 CB SER A 10 -0.748 -8.064 6.911 1.00 0.00 C ATOM 122 OG SER A 10 -1.663 -8.476 7.922 1.00 0.00 O ATOM 0 H SER A 10 -1.856 -10.333 6.493 1.00 0.00 H new ATOM 0 HA SER A 10 0.388 -8.888 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.018 -7.427 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.274 -7.462 6.170 1.00 0.00 H new ATOM 0 HG SER A 10 -2.568 -8.514 7.548 1.00 0.00 H new ATOM 128 N SER A 11 1.203 -11.157 6.948 1.00 0.00 N ATOM 129 CA SER A 11 2.190 -11.870 7.741 1.00 0.00 C ATOM 130 C SER A 11 3.328 -12.359 6.841 1.00 0.00 C ATOM 131 O SER A 11 3.083 -12.917 5.772 1.00 0.00 O ATOM 132 CB SER A 11 1.557 -13.047 8.484 1.00 0.00 C ATOM 133 OG SER A 11 2.538 -13.882 9.095 1.00 0.00 O ATOM 0 H SER A 11 0.709 -11.731 6.265 1.00 0.00 H new ATOM 0 HA SER A 11 2.592 -11.182 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.876 -12.670 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.961 -13.637 7.788 1.00 0.00 H new ATOM 0 HG SER A 11 2.094 -14.621 9.561 1.00 0.00 H new ATOM 139 N GLY A 12 4.548 -12.129 7.307 1.00 0.00 N ATOM 140 CA GLY A 12 5.724 -12.540 6.557 1.00 0.00 C ATOM 141 C GLY A 12 5.470 -12.457 5.050 1.00 0.00 C ATOM 142 O GLY A 12 5.670 -13.433 4.329 1.00 0.00 O ATOM 0 H GLY A 12 4.747 -11.664 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.569 -11.905 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.994 -13.561 6.828 1.00 0.00 H new ATOM 146 N LEU A 13 5.036 -11.282 4.620 1.00 0.00 N ATOM 147 CA LEU A 13 4.754 -11.058 3.212 1.00 0.00 C ATOM 148 C LEU A 13 5.888 -11.645 2.371 1.00 0.00 C ATOM 149 O LEU A 13 6.980 -11.895 2.879 1.00 0.00 O ATOM 150 CB LEU A 13 4.497 -9.573 2.946 1.00 0.00 C ATOM 151 CG LEU A 13 5.740 -8.695 2.781 1.00 0.00 C ATOM 152 CD1 LEU A 13 6.416 -8.951 1.432 1.00 0.00 C ATOM 153 CD2 LEU A 13 5.397 -7.219 2.981 1.00 0.00 C ATOM 0 H LEU A 13 4.873 -10.475 5.222 1.00 0.00 H new ATOM 0 HA LEU A 13 3.839 -11.573 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.892 -9.485 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.902 -9.175 3.768 1.00 0.00 H new ATOM 0 HG LEU A 13 6.457 -8.966 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.296 -8.315 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.716 -9.997 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.718 -8.724 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.297 -6.616 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.654 -6.915 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.995 -7.071 3.983 1.00 0.00 H new ATOM 165 N SER A 14 5.591 -11.849 1.095 1.00 0.00 N ATOM 166 CA SER A 14 6.572 -12.401 0.176 1.00 0.00 C ATOM 167 C SER A 14 6.675 -11.523 -1.073 1.00 0.00 C ATOM 168 O SER A 14 5.688 -10.921 -1.493 1.00 0.00 O ATOM 169 CB SER A 14 6.211 -13.838 -0.213 1.00 0.00 C ATOM 170 OG SER A 14 7.365 -14.669 -0.311 1.00 0.00 O ATOM 0 H SER A 14 4.684 -11.642 0.676 1.00 0.00 H new ATOM 0 HA SER A 14 7.539 -12.419 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.527 -14.253 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.684 -13.834 -1.167 1.00 0.00 H new ATOM 0 HG SER A 14 7.094 -15.577 -0.559 1.00 0.00 H new ATOM 176 N ASP A 15 7.875 -11.480 -1.629 1.00 0.00 N ATOM 177 CA ASP A 15 8.121 -10.685 -2.819 1.00 0.00 C ATOM 178 C ASP A 15 7.066 -11.021 -3.877 1.00 0.00 C ATOM 179 O ASP A 15 7.265 -11.920 -4.692 1.00 0.00 O ATOM 180 CB ASP A 15 9.497 -10.988 -3.412 1.00 0.00 C ATOM 181 CG ASP A 15 10.674 -10.339 -2.680 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.989 -9.181 -3.029 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.231 -11.016 -1.789 1.00 0.00 O ATOM 0 H ASP A 15 8.689 -11.984 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 15 8.075 -9.633 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.643 -12.068 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.509 -10.659 -4.451 1.00 0.00 H new ATOM 189 N GLY A 16 5.968 -10.281 -3.828 1.00 0.00 N ATOM 190 CA GLY A 16 4.883 -10.488 -4.770 1.00 0.00 C ATOM 191 C GLY A 16 3.854 -11.475 -4.213 1.00 0.00 C ATOM 192 O GLY A 16 3.484 -12.436 -4.886 1.00 0.00 O ATOM 0 H GLY A 16 5.807 -9.537 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.399 -9.536 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.281 -10.865 -5.712 1.00 0.00 H new ATOM 196 N THR A 17 3.423 -11.203 -2.992 1.00 0.00 N ATOM 197 CA THR A 17 2.444 -12.056 -2.336 1.00 0.00 C ATOM 198 C THR A 17 1.027 -11.560 -2.629 1.00 0.00 C ATOM 199 O THR A 17 0.709 -10.395 -2.387 1.00 0.00 O ATOM 200 CB THR A 17 2.779 -12.099 -0.845 1.00 0.00 C ATOM 201 OG1 THR A 17 3.558 -13.282 -0.698 1.00 0.00 O ATOM 202 CG2 THR A 17 1.545 -12.355 0.024 1.00 0.00 C ATOM 0 H THR A 17 3.732 -10.404 -2.438 1.00 0.00 H new ATOM 0 HA THR A 17 2.484 -13.075 -2.720 1.00 0.00 H new ATOM 0 HB THR A 17 3.243 -11.158 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.424 -13.652 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.837 -12.376 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.817 -11.559 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.101 -13.312 -0.248 1.00 0.00 H new ATOM 210 N VAL A 18 0.210 -12.468 -3.142 1.00 0.00 N ATOM 211 CA VAL A 18 -1.166 -12.139 -3.469 1.00 0.00 C ATOM 212 C VAL A 18 -1.975 -12.002 -2.176 1.00 0.00 C ATOM 213 O VAL A 18 -2.317 -13.001 -1.547 1.00 0.00 O ATOM 214 CB VAL A 18 -1.743 -13.186 -4.425 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.842 -12.581 -5.300 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.640 -13.810 -5.283 1.00 0.00 C ATOM 0 H VAL A 18 0.476 -13.433 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.215 -11.182 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.190 -13.979 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.235 -13.345 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.646 -12.205 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.429 -11.761 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.076 -14.551 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.151 -13.032 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.094 -14.292 -4.638 1.00 0.00 H new ATOM 226 N VAL A 19 -2.251 -10.756 -1.818 1.00 0.00 N ATOM 227 CA VAL A 19 -3.011 -10.476 -0.612 1.00 0.00 C ATOM 228 C VAL A 19 -4.375 -9.899 -0.998 1.00 0.00 C ATOM 229 O VAL A 19 -4.604 -9.554 -2.156 1.00 0.00 O ATOM 230 CB VAL A 19 -2.210 -9.554 0.308 1.00 0.00 C ATOM 231 CG1 VAL A 19 -0.767 -10.039 0.452 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.255 -8.108 -0.192 1.00 0.00 C ATOM 0 H VAL A 19 -1.962 -9.930 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.193 -11.393 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.672 -9.583 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.221 -9.365 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.761 -11.044 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.289 -10.055 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.678 -7.473 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.830 -8.056 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.289 -7.764 -0.218 1.00 0.00 H new ATOM 242 N LYS A 20 -5.248 -9.813 -0.004 1.00 0.00 N ATOM 243 CA LYS A 20 -6.583 -9.284 -0.222 1.00 0.00 C ATOM 244 C LYS A 20 -6.775 -8.028 0.630 1.00 0.00 C ATOM 245 O LYS A 20 -6.756 -8.099 1.858 1.00 0.00 O ATOM 246 CB LYS A 20 -7.636 -10.366 0.027 1.00 0.00 C ATOM 247 CG LYS A 20 -8.766 -10.278 -1.000 1.00 0.00 C ATOM 248 CD LYS A 20 -10.007 -11.032 -0.514 1.00 0.00 C ATOM 249 CE LYS A 20 -11.165 -10.069 -0.253 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.464 -10.762 -0.420 1.00 0.00 N ATOM 0 H LYS A 20 -5.056 -10.101 0.955 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.709 -8.985 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.170 -11.350 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.044 -10.257 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.018 -9.233 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.432 -10.694 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.304 -11.770 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.771 -11.578 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.089 -9.665 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.106 -9.225 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.240 -10.094 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.541 -11.127 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.525 -11.553 0.253 1.00 0.00 H new ATOM 264 N VAL A 21 -6.960 -6.908 -0.055 1.00 0.00 N ATOM 265 CA VAL A 21 -7.158 -5.640 0.624 1.00 0.00 C ATOM 266 C VAL A 21 -8.653 -5.428 0.875 1.00 0.00 C ATOM 267 O VAL A 21 -9.365 -4.924 0.009 1.00 0.00 O ATOM 268 CB VAL A 21 -6.520 -4.509 -0.187 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.575 -3.187 0.581 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.084 -4.857 -0.579 1.00 0.00 C ATOM 0 H VAL A 21 -6.977 -6.854 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.664 -5.645 1.596 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.096 -4.388 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.115 -2.400 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.614 -2.928 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.035 -3.290 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.655 -4.037 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.490 -5.019 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.081 -5.764 -1.183 1.00 0.00 H new ATOM 280 N ALA A 22 -9.082 -5.823 2.064 1.00 0.00 N ATOM 281 CA ALA A 22 -10.478 -5.681 2.441 1.00 0.00 C ATOM 282 C ALA A 22 -10.693 -4.307 3.078 1.00 0.00 C ATOM 283 O ALA A 22 -10.112 -4.002 4.118 1.00 0.00 O ATOM 284 CB ALA A 22 -10.873 -6.825 3.375 1.00 0.00 C ATOM 0 H ALA A 22 -8.487 -6.242 2.779 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.121 -5.741 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.920 -6.719 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.730 -7.777 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.251 -6.796 4.269 1.00 0.00 H new ATOM 290 N GLY A 23 -11.532 -3.513 2.427 1.00 0.00 N ATOM 291 CA GLY A 23 -11.832 -2.179 2.917 1.00 0.00 C ATOM 292 C GLY A 23 -13.167 -2.155 3.665 1.00 0.00 C ATOM 293 O GLY A 23 -14.219 -2.368 3.068 1.00 0.00 O ATOM 0 H GLY A 23 -12.013 -3.769 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.034 -1.843 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.867 -1.480 2.081 1.00 0.00 H new ATOM 297 N ALA A 24 -13.077 -1.896 4.961 1.00 0.00 N ATOM 298 CA ALA A 24 -14.265 -1.844 5.797 1.00 0.00 C ATOM 299 C ALA A 24 -14.621 -0.382 6.077 1.00 0.00 C ATOM 300 O ALA A 24 -13.980 0.269 6.902 1.00 0.00 O ATOM 301 CB ALA A 24 -14.022 -2.642 7.081 1.00 0.00 C ATOM 0 H ALA A 24 -12.201 -1.720 5.453 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.114 -2.299 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.913 -2.603 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.801 -3.679 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.179 -2.213 7.622 1.00 0.00 H new ATOM 307 N GLY A 25 -15.641 0.091 5.376 1.00 0.00 N ATOM 308 CA GLY A 25 -16.089 1.462 5.540 1.00 0.00 C ATOM 309 C GLY A 25 -15.006 2.450 5.100 1.00 0.00 C ATOM 310 O GLY A 25 -14.871 3.527 5.678 1.00 0.00 O ATOM 0 H GLY A 25 -16.170 -0.452 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.994 1.625 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.347 1.641 6.584 1.00 0.00 H new ATOM 314 N LEU A 26 -14.262 2.046 4.082 1.00 0.00 N ATOM 315 CA LEU A 26 -13.193 2.882 3.558 1.00 0.00 C ATOM 316 C LEU A 26 -13.797 3.991 2.693 1.00 0.00 C ATOM 317 O LEU A 26 -14.457 4.894 3.208 1.00 0.00 O ATOM 318 CB LEU A 26 -12.155 2.028 2.825 1.00 0.00 C ATOM 319 CG LEU A 26 -10.894 2.760 2.360 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.413 3.753 3.421 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.800 1.768 1.966 1.00 0.00 C ATOM 0 H LEU A 26 -14.377 1.152 3.605 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.655 3.368 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.856 1.211 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.632 1.578 1.954 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.142 3.337 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.516 4.259 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.194 4.489 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.186 3.218 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.915 2.314 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.547 1.146 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.157 1.136 1.153 1.00 0.00 H new ATOM 333 N GLN A 27 -13.549 3.889 1.396 1.00 0.00 N ATOM 334 CA GLN A 27 -14.060 4.871 0.457 1.00 0.00 C ATOM 335 C GLN A 27 -15.527 5.182 0.759 1.00 0.00 C ATOM 336 O GLN A 27 -16.020 6.258 0.419 1.00 0.00 O ATOM 337 CB GLN A 27 -13.886 4.392 -0.986 1.00 0.00 C ATOM 338 CG GLN A 27 -12.410 4.372 -1.384 1.00 0.00 C ATOM 339 CD GLN A 27 -11.872 2.939 -1.426 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.145 2.497 -0.555 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.273 2.244 -2.487 1.00 0.00 N ATOM 0 H GLN A 27 -13.000 3.140 0.973 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.484 5.789 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.309 3.393 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.439 5.047 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.287 4.839 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.830 4.961 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.883 2.678 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.970 1.278 -2.608 1.00 0.00 H new ATOM 350 N ALA A 28 -16.185 4.223 1.395 1.00 0.00 N ATOM 351 CA ALA A 28 -17.584 4.382 1.748 1.00 0.00 C ATOM 352 C ALA A 28 -18.418 4.499 0.469 1.00 0.00 C ATOM 353 O ALA A 28 -19.507 5.067 0.484 1.00 0.00 O ATOM 354 CB ALA A 28 -17.747 5.598 2.661 1.00 0.00 C ATOM 0 H ALA A 28 -15.774 3.333 1.675 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.941 3.511 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.798 5.716 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.159 5.454 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.401 6.492 2.142 1.00 0.00 H new ATOM 360 N GLY A 29 -17.871 3.948 -0.605 1.00 0.00 N ATOM 361 CA GLY A 29 -18.550 3.983 -1.890 1.00 0.00 C ATOM 362 C GLY A 29 -17.715 4.731 -2.932 1.00 0.00 C ATOM 363 O GLY A 29 -18.032 4.706 -4.120 1.00 0.00 O ATOM 0 H GLY A 29 -16.967 3.476 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.740 2.966 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.520 4.468 -1.780 1.00 0.00 H new ATOM 367 N THR A 30 -16.667 5.381 -2.447 1.00 0.00 N ATOM 368 CA THR A 30 -15.787 6.136 -3.322 1.00 0.00 C ATOM 369 C THR A 30 -14.740 5.213 -3.946 1.00 0.00 C ATOM 370 O THR A 30 -14.909 3.996 -3.963 1.00 0.00 O ATOM 371 CB THR A 30 -15.180 7.281 -2.507 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.173 7.576 -1.529 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.056 8.574 -3.316 1.00 0.00 C ATOM 0 H THR A 30 -16.408 5.400 -1.461 1.00 0.00 H new ATOM 0 HA THR A 30 -16.335 6.569 -4.159 1.00 0.00 H new ATOM 0 HB THR A 30 -14.196 6.985 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.846 7.318 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.620 9.354 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.416 8.402 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.044 8.889 -3.653 1.00 0.00 H new ATOM 381 N ALA A 31 -13.679 5.830 -4.449 1.00 0.00 N ATOM 382 CA ALA A 31 -12.603 5.079 -5.074 1.00 0.00 C ATOM 383 C ALA A 31 -11.278 5.810 -4.848 1.00 0.00 C ATOM 384 O ALA A 31 -11.258 7.029 -4.679 1.00 0.00 O ATOM 385 CB ALA A 31 -12.915 4.883 -6.560 1.00 0.00 C ATOM 0 H ALA A 31 -13.542 6.841 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.514 4.090 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.109 4.320 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.851 4.334 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.008 5.855 -7.044 1.00 0.00 H new ATOM 391 N TYR A 32 -10.204 5.034 -4.852 1.00 0.00 N ATOM 392 CA TYR A 32 -8.876 5.592 -4.648 1.00 0.00 C ATOM 393 C TYR A 32 -7.815 4.760 -5.368 1.00 0.00 C ATOM 394 O TYR A 32 -8.146 3.875 -6.157 1.00 0.00 O ATOM 395 CB TYR A 32 -8.620 5.531 -3.141 1.00 0.00 C ATOM 396 CG TYR A 32 -9.432 6.544 -2.329 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.671 7.804 -2.840 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.923 6.199 -1.088 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.433 8.756 -2.077 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.686 7.153 -0.325 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.903 8.385 -0.857 1.00 0.00 C ATOM 402 OH TYR A 32 -11.623 9.286 -0.136 1.00 0.00 O ATOM 0 H TYR A 32 -10.225 4.024 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.822 6.608 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.850 4.527 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.559 5.700 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.286 8.075 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.736 5.214 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.628 9.745 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.077 6.895 0.648 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.895 8.882 0.715 1.00 0.00 H new ATOM 412 N ASP A 33 -6.563 5.070 -5.070 1.00 0.00 N ATOM 413 CA ASP A 33 -5.451 4.360 -5.682 1.00 0.00 C ATOM 414 C ASP A 33 -4.790 3.462 -4.633 1.00 0.00 C ATOM 415 O ASP A 33 -4.104 3.948 -3.737 1.00 0.00 O ATOM 416 CB ASP A 33 -4.392 5.338 -6.200 1.00 0.00 C ATOM 417 CG ASP A 33 -4.155 5.289 -7.710 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.033 5.798 -8.440 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.100 4.746 -8.102 1.00 0.00 O ATOM 0 H ASP A 33 -6.293 5.802 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.840 3.774 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.688 6.351 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.450 5.133 -5.692 1.00 0.00 H new ATOM 425 N VAL A 34 -5.021 2.166 -4.783 1.00 0.00 N ATOM 426 CA VAL A 34 -4.458 1.193 -3.862 1.00 0.00 C ATOM 427 C VAL A 34 -2.971 1.004 -4.175 1.00 0.00 C ATOM 428 O VAL A 34 -2.575 0.988 -5.338 1.00 0.00 O ATOM 429 CB VAL A 34 -5.254 -0.111 -3.926 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.349 -1.287 -4.303 1.00 0.00 C ATOM 431 CG2 VAL A 34 -5.975 -0.379 -2.605 1.00 0.00 C ATOM 0 H VAL A 34 -5.591 1.767 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.532 1.551 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.009 -0.004 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.939 -2.203 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.901 -1.103 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.562 -1.394 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.533 -1.312 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.244 -0.456 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.663 0.440 -2.393 1.00 0.00 H new ATOM 441 N GLY A 35 -2.189 0.864 -3.114 1.00 0.00 N ATOM 442 CA GLY A 35 -0.756 0.675 -3.260 1.00 0.00 C ATOM 443 C GLY A 35 -0.064 0.654 -1.896 1.00 0.00 C ATOM 444 O GLY A 35 -0.583 1.201 -0.924 1.00 0.00 O ATOM 0 H GLY A 35 -2.521 0.878 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.561 -0.260 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.340 1.477 -3.870 1.00 0.00 H new ATOM 448 N GLN A 36 1.097 0.016 -1.867 1.00 0.00 N ATOM 449 CA GLN A 36 1.865 -0.086 -0.640 1.00 0.00 C ATOM 450 C GLN A 36 2.880 1.056 -0.552 1.00 0.00 C ATOM 451 O GLN A 36 3.978 0.958 -1.097 1.00 0.00 O ATOM 452 CB GLN A 36 2.561 -1.445 -0.536 1.00 0.00 C ATOM 453 CG GLN A 36 1.803 -2.508 -1.332 1.00 0.00 C ATOM 454 CD GLN A 36 2.707 -3.153 -2.386 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.313 -2.278 -3.183 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.844 -4.362 -2.469 1.00 0.00 N flip ATOM 0 H GLN A 36 1.524 -0.436 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 36 1.177 -0.002 0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.582 -1.365 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.626 -1.746 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.425 -3.274 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.938 -2.056 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.348 -4.977 -1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.455 -4.758 -3.184 1.00 0.00 H new ATOM 465 N CYS A 37 2.476 2.114 0.136 1.00 0.00 N ATOM 466 CA CYS A 37 3.336 3.274 0.300 1.00 0.00 C ATOM 467 C CYS A 37 3.875 3.273 1.733 1.00 0.00 C ATOM 468 O CYS A 37 3.273 2.680 2.625 1.00 0.00 O ATOM 469 CB CYS A 37 2.603 4.574 -0.034 1.00 0.00 C ATOM 470 SG CYS A 37 3.690 5.968 -0.508 1.00 0.00 S ATOM 0 H CYS A 37 1.564 2.192 0.586 1.00 0.00 H new ATOM 0 HA CYS A 37 4.169 3.215 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.905 4.382 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.009 4.872 0.830 1.00 0.00 H new ATOM 475 N ALA A 38 5.002 3.946 1.906 1.00 0.00 N ATOM 476 CA ALA A 38 5.629 4.030 3.214 1.00 0.00 C ATOM 477 C ALA A 38 6.968 4.760 3.089 1.00 0.00 C ATOM 478 O ALA A 38 7.498 4.906 1.987 1.00 0.00 O ATOM 479 CB ALA A 38 5.784 2.625 3.800 1.00 0.00 C ATOM 0 H ALA A 38 5.498 4.438 1.163 1.00 0.00 H new ATOM 0 HA ALA A 38 5.005 4.602 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.254 2.690 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.802 2.161 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.406 2.022 3.139 1.00 0.00 H new ATOM 485 N TRP A 39 7.477 5.196 4.232 1.00 0.00 N ATOM 486 CA TRP A 39 8.745 5.906 4.262 1.00 0.00 C ATOM 487 C TRP A 39 9.861 4.897 3.982 1.00 0.00 C ATOM 488 O TRP A 39 10.069 3.966 4.759 1.00 0.00 O ATOM 489 CB TRP A 39 8.927 6.645 5.589 1.00 0.00 C ATOM 490 CG TRP A 39 8.507 5.833 6.816 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.179 4.849 7.424 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.280 5.981 7.563 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.481 4.350 8.506 1.00 0.00 N ATOM 494 CE2 TRP A 39 7.288 5.061 8.592 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.200 6.860 7.377 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.243 4.932 9.514 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.163 6.720 8.307 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.157 5.798 9.348 1.00 0.00 C ATOM 0 H TRP A 39 7.035 5.072 5.143 1.00 0.00 H new ATOM 0 HA TRP A 39 8.773 6.677 3.492 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.974 6.928 5.695 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.348 7.568 5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.147 4.490 7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.784 3.600 9.127 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.172 7.587 6.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.273 4.203 10.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.309 7.373 8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.317 5.751 10.026 1.00 0.00 H new ATOM 509 N VAL A 40 10.547 5.114 2.869 1.00 0.00 N ATOM 510 CA VAL A 40 11.634 4.235 2.477 1.00 0.00 C ATOM 511 C VAL A 40 12.969 4.883 2.852 1.00 0.00 C ATOM 512 O VAL A 40 13.824 4.243 3.464 1.00 0.00 O ATOM 513 CB VAL A 40 11.528 3.905 0.987 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.928 5.106 0.127 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.372 2.677 0.637 1.00 0.00 C ATOM 0 H VAL A 40 10.370 5.886 2.227 1.00 0.00 H new ATOM 0 HA VAL A 40 11.571 3.287 3.012 1.00 0.00 H new ATOM 0 HB VAL A 40 10.486 3.671 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.843 4.843 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.268 5.946 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.958 5.386 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.279 2.463 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.417 2.873 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.022 1.819 1.211 1.00 0.00 H new ATOM 525 N ASP A 41 13.106 6.143 2.469 1.00 0.00 N ATOM 526 CA ASP A 41 14.322 6.885 2.759 1.00 0.00 C ATOM 527 C ASP A 41 14.255 7.428 4.187 1.00 0.00 C ATOM 528 O ASP A 41 13.492 6.926 5.010 1.00 0.00 O ATOM 529 CB ASP A 41 14.482 8.073 1.808 1.00 0.00 C ATOM 530 CG ASP A 41 15.826 8.141 1.080 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.790 7.554 1.612 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.857 8.780 0.005 1.00 0.00 O ATOM 0 H ASP A 41 12.396 6.670 1.960 1.00 0.00 H new ATOM 0 HA ASP A 41 15.167 6.208 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.685 8.035 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.346 8.994 2.375 1.00 0.00 H new ATOM 538 N THR A 42 15.065 8.447 4.439 1.00 0.00 N ATOM 539 CA THR A 42 15.109 9.063 5.752 1.00 0.00 C ATOM 540 C THR A 42 13.923 10.014 5.934 1.00 0.00 C ATOM 541 O THR A 42 14.027 11.206 5.646 1.00 0.00 O ATOM 542 CB THR A 42 16.466 9.750 5.908 1.00 0.00 C ATOM 543 OG1 THR A 42 17.397 8.673 5.952 1.00 0.00 O ATOM 544 CG2 THR A 42 16.625 10.435 7.268 1.00 0.00 C ATOM 0 H THR A 42 15.697 8.861 3.753 1.00 0.00 H new ATOM 0 HA THR A 42 15.014 8.317 6.541 1.00 0.00 H new ATOM 0 HB THR A 42 16.592 10.486 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.305 9.029 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.606 10.907 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.851 11.193 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.532 9.694 8.062 1.00 0.00 H new ATOM 552 N GLY A 43 12.822 9.451 6.411 1.00 0.00 N ATOM 553 CA GLY A 43 11.617 10.233 6.635 1.00 0.00 C ATOM 554 C GLY A 43 11.009 10.695 5.308 1.00 0.00 C ATOM 555 O GLY A 43 10.274 11.680 5.269 1.00 0.00 O ATOM 0 H GLY A 43 12.739 8.463 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.889 9.637 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.851 11.100 7.253 1.00 0.00 H new ATOM 559 N VAL A 44 11.341 9.964 4.255 1.00 0.00 N ATOM 560 CA VAL A 44 10.836 10.286 2.930 1.00 0.00 C ATOM 561 C VAL A 44 9.764 9.268 2.537 1.00 0.00 C ATOM 562 O VAL A 44 10.068 8.098 2.307 1.00 0.00 O ATOM 563 CB VAL A 44 11.995 10.354 1.933 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.566 11.059 0.644 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.214 11.035 2.553 1.00 0.00 C ATOM 0 H VAL A 44 11.954 9.149 4.291 1.00 0.00 H new ATOM 0 HA VAL A 44 10.365 11.269 2.927 1.00 0.00 H new ATOM 0 HB VAL A 44 12.279 9.333 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.407 11.095 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.742 10.511 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.243 12.074 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.022 11.070 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.951 12.050 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.539 10.472 3.428 1.00 0.00 H new ATOM 575 N LEU A 45 8.532 9.750 2.469 1.00 0.00 N ATOM 576 CA LEU A 45 7.414 8.898 2.106 1.00 0.00 C ATOM 577 C LEU A 45 7.498 8.561 0.616 1.00 0.00 C ATOM 578 O LEU A 45 7.285 9.426 -0.234 1.00 0.00 O ATOM 579 CB LEU A 45 6.091 9.547 2.515 1.00 0.00 C ATOM 580 CG LEU A 45 5.548 9.153 3.892 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.673 10.264 4.474 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.808 7.815 3.829 1.00 0.00 C ATOM 0 H LEU A 45 8.284 10.721 2.659 1.00 0.00 H new ATOM 0 HA LEU A 45 7.462 7.955 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.218 10.629 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.340 9.298 1.765 1.00 0.00 H new ATOM 0 HG LEU A 45 6.394 9.021 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.300 9.959 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.263 11.175 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.831 10.451 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.433 7.560 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.972 7.894 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.491 7.037 3.488 1.00 0.00 H new ATOM 594 N ALA A 46 7.808 7.302 0.344 1.00 0.00 N ATOM 595 CA ALA A 46 7.922 6.840 -1.029 1.00 0.00 C ATOM 596 C ALA A 46 6.994 5.642 -1.239 1.00 0.00 C ATOM 597 O ALA A 46 6.807 4.830 -0.334 1.00 0.00 O ATOM 598 CB ALA A 46 9.383 6.505 -1.336 1.00 0.00 C ATOM 0 H ALA A 46 7.984 6.588 1.051 1.00 0.00 H new ATOM 0 HA ALA A 46 7.614 7.622 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.468 6.158 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.997 7.396 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.726 5.722 -0.660 1.00 0.00 H new ATOM 604 N CYS A 47 6.435 5.569 -2.440 1.00 0.00 N ATOM 605 CA CYS A 47 5.531 4.484 -2.779 1.00 0.00 C ATOM 606 C CYS A 47 6.225 3.582 -3.803 1.00 0.00 C ATOM 607 O CYS A 47 7.068 4.044 -4.571 1.00 0.00 O ATOM 608 CB CYS A 47 4.190 5.007 -3.297 1.00 0.00 C ATOM 609 SG CYS A 47 3.567 6.500 -2.444 1.00 0.00 S ATOM 0 H CYS A 47 6.591 6.244 -3.189 1.00 0.00 H new ATOM 0 HA CYS A 47 5.301 3.906 -1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.288 5.228 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.447 4.215 -3.203 1.00 0.00 H new ATOM 614 N ASN A 48 5.846 2.313 -3.779 1.00 0.00 N ATOM 615 CA ASN A 48 6.421 1.343 -4.694 1.00 0.00 C ATOM 616 C ASN A 48 5.787 1.514 -6.077 1.00 0.00 C ATOM 617 O ASN A 48 4.824 2.261 -6.233 1.00 0.00 O ATOM 618 CB ASN A 48 6.148 -0.087 -4.224 1.00 0.00 C ATOM 619 CG ASN A 48 6.014 -0.147 -2.700 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.812 0.698 -2.052 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.235 -0.908 -2.150 1.00 0.00 N flip ATOM 0 H ASN A 48 5.147 1.934 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 48 7.497 1.512 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.234 -0.458 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.958 -0.741 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.651 -1.531 -2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.168 -0.921 -1.132 1.00 0.00 H new ATOM 628 N PRO A 49 6.371 0.792 -7.069 1.00 0.00 N ATOM 629 CA PRO A 49 5.876 0.856 -8.433 1.00 0.00 C ATOM 630 C PRO A 49 4.570 0.070 -8.580 1.00 0.00 C ATOM 631 O PRO A 49 3.879 0.191 -9.589 1.00 0.00 O ATOM 632 CB PRO A 49 7.002 0.301 -9.290 1.00 0.00 C ATOM 633 CG PRO A 49 7.898 -0.481 -8.343 1.00 0.00 C ATOM 634 CD PRO A 49 7.514 -0.105 -6.920 1.00 0.00 C ATOM 0 HA PRO A 49 5.624 1.871 -8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.612 -0.342 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.555 1.104 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.777 -1.553 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.946 -0.248 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.252 -0.986 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.339 0.387 -6.404 1.00 0.00 H new ATOM 642 N ALA A 50 4.272 -0.717 -7.556 1.00 0.00 N ATOM 643 CA ALA A 50 3.063 -1.522 -7.557 1.00 0.00 C ATOM 644 C ALA A 50 2.039 -0.899 -6.608 1.00 0.00 C ATOM 645 O ALA A 50 1.069 -1.550 -6.219 1.00 0.00 O ATOM 646 CB ALA A 50 3.409 -2.964 -7.179 1.00 0.00 C ATOM 0 H ALA A 50 4.848 -0.814 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 50 2.618 -1.544 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.502 -3.568 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.116 -3.370 -7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.856 -2.982 -6.185 1.00 0.00 H new ATOM 652 N ASP A 51 2.289 0.354 -6.261 1.00 0.00 N ATOM 653 CA ASP A 51 1.400 1.073 -5.363 1.00 0.00 C ATOM 654 C ASP A 51 0.287 1.735 -6.175 1.00 0.00 C ATOM 655 O ASP A 51 -0.511 2.500 -5.635 1.00 0.00 O ATOM 656 CB ASP A 51 2.151 2.171 -4.607 1.00 0.00 C ATOM 657 CG ASP A 51 1.266 3.271 -4.017 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.093 4.294 -4.712 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.783 3.064 -2.883 1.00 0.00 O ATOM 0 H ASP A 51 3.094 0.890 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 51 0.992 0.358 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.720 1.711 -3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.872 2.629 -5.284 1.00 0.00 H new ATOM 665 N PHE A 52 0.269 1.419 -7.463 1.00 0.00 N ATOM 666 CA PHE A 52 -0.733 1.975 -8.356 1.00 0.00 C ATOM 667 C PHE A 52 -1.748 0.908 -8.772 1.00 0.00 C ATOM 668 O PHE A 52 -1.516 0.162 -9.722 1.00 0.00 O ATOM 669 CB PHE A 52 0.004 2.473 -9.601 1.00 0.00 C ATOM 670 CG PHE A 52 1.460 2.866 -9.345 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.764 3.735 -8.344 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.452 2.349 -10.119 1.00 0.00 C ATOM 673 CE1 PHE A 52 3.115 4.101 -8.106 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.802 2.715 -9.883 1.00 0.00 C ATOM 675 CZ PHE A 52 4.106 3.584 -8.881 1.00 0.00 C ATOM 0 H PHE A 52 0.933 0.785 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.274 2.778 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.023 1.694 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.528 3.334 -10.006 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.977 4.147 -7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.211 1.659 -10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.356 4.790 -7.310 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.588 2.304 -10.499 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.134 3.863 -8.701 1.00 0.00 H new ATOM 685 N SER A 53 -2.852 0.869 -8.039 1.00 0.00 N ATOM 686 CA SER A 53 -3.903 -0.094 -8.320 1.00 0.00 C ATOM 687 C SER A 53 -5.259 0.474 -7.896 1.00 0.00 C ATOM 688 O SER A 53 -5.735 0.197 -6.797 1.00 0.00 O ATOM 689 CB SER A 53 -3.638 -1.422 -7.607 1.00 0.00 C ATOM 690 OG SER A 53 -3.392 -2.481 -8.527 1.00 0.00 O ATOM 0 H SER A 53 -3.041 1.489 -7.251 1.00 0.00 H new ATOM 0 HA SER A 53 -3.915 -0.285 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.781 -1.312 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.495 -1.676 -6.983 1.00 0.00 H new ATOM 0 HG SER A 53 -2.456 -2.452 -8.817 1.00 0.00 H new ATOM 696 N SER A 54 -5.841 1.257 -8.792 1.00 0.00 N ATOM 697 CA SER A 54 -7.134 1.867 -8.525 1.00 0.00 C ATOM 698 C SER A 54 -8.050 0.863 -7.822 1.00 0.00 C ATOM 699 O SER A 54 -8.182 -0.278 -8.261 1.00 0.00 O ATOM 700 CB SER A 54 -7.785 2.364 -9.817 1.00 0.00 C ATOM 701 OG SER A 54 -7.793 1.363 -10.832 1.00 0.00 O ATOM 0 H SER A 54 -5.442 1.483 -9.703 1.00 0.00 H new ATOM 0 HA SER A 54 -6.979 2.727 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.808 2.678 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.249 3.242 -10.178 1.00 0.00 H new ATOM 0 HG SER A 54 -8.218 1.719 -11.640 1.00 0.00 H new ATOM 707 N VAL A 55 -8.658 1.325 -6.738 1.00 0.00 N ATOM 708 CA VAL A 55 -9.558 0.483 -5.969 1.00 0.00 C ATOM 709 C VAL A 55 -10.899 1.200 -5.795 1.00 0.00 C ATOM 710 O VAL A 55 -10.985 2.414 -5.975 1.00 0.00 O ATOM 711 CB VAL A 55 -8.908 0.101 -4.638 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.720 1.329 -3.746 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.719 -0.979 -3.921 1.00 0.00 C ATOM 0 H VAL A 55 -8.545 2.271 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.754 -0.449 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.922 -0.309 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.256 1.029 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.080 2.052 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.690 1.783 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.235 -1.232 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.725 -0.608 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.776 -1.868 -4.549 1.00 0.00 H new ATOM 723 N THR A 56 -11.910 0.420 -5.446 1.00 0.00 N ATOM 724 CA THR A 56 -13.242 0.967 -5.246 1.00 0.00 C ATOM 725 C THR A 56 -13.964 0.213 -4.128 1.00 0.00 C ATOM 726 O THR A 56 -13.939 -1.015 -4.086 1.00 0.00 O ATOM 727 CB THR A 56 -13.979 0.921 -6.586 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.695 2.183 -7.182 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.499 0.923 -6.419 1.00 0.00 C ATOM 0 H THR A 56 -11.835 -0.586 -5.296 1.00 0.00 H new ATOM 0 HA THR A 56 -13.199 2.006 -4.920 1.00 0.00 H new ATOM 0 HB THR A 56 -13.675 0.030 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.133 2.238 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.973 0.890 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.803 0.051 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.807 1.830 -5.898 1.00 0.00 H new ATOM 737 N ALA A 57 -14.592 0.981 -3.249 1.00 0.00 N ATOM 738 CA ALA A 57 -15.322 0.401 -2.134 1.00 0.00 C ATOM 739 C ALA A 57 -16.825 0.523 -2.394 1.00 0.00 C ATOM 740 O ALA A 57 -17.300 1.573 -2.823 1.00 0.00 O ATOM 741 CB ALA A 57 -14.896 1.088 -0.834 1.00 0.00 C ATOM 0 H ALA A 57 -14.610 2.000 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.091 -0.660 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.443 0.654 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.826 0.946 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.115 2.154 -0.897 1.00 0.00 H new ATOM 747 N ASP A 58 -17.528 -0.565 -2.124 1.00 0.00 N ATOM 748 CA ASP A 58 -18.967 -0.596 -2.323 1.00 0.00 C ATOM 749 C ASP A 58 -19.622 0.471 -1.443 1.00 0.00 C ATOM 750 O ASP A 58 -19.014 0.948 -0.484 1.00 0.00 O ATOM 751 CB ASP A 58 -19.551 -1.955 -1.931 1.00 0.00 C ATOM 752 CG ASP A 58 -18.683 -3.160 -2.299 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.659 -2.937 -2.981 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.063 -4.279 -1.890 1.00 0.00 O ATOM 0 H ASP A 58 -17.128 -1.433 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.164 -0.411 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.722 -1.964 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.524 -2.067 -2.409 1.00 0.00 H new ATOM 760 N ALA A 59 -20.851 0.814 -1.797 1.00 0.00 N ATOM 761 CA ALA A 59 -21.594 1.814 -1.051 1.00 0.00 C ATOM 762 C ALA A 59 -21.305 1.651 0.442 1.00 0.00 C ATOM 763 O ALA A 59 -21.244 2.636 1.178 1.00 0.00 O ATOM 764 CB ALA A 59 -23.085 1.689 -1.373 1.00 0.00 C ATOM 0 H ALA A 59 -21.352 0.416 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.281 2.817 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.642 2.440 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.241 1.843 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.435 0.695 -1.095 1.00 0.00 H new ATOM 770 N ASN A 60 -21.131 0.401 0.846 1.00 0.00 N ATOM 771 CA ASN A 60 -20.849 0.094 2.237 1.00 0.00 C ATOM 772 C ASN A 60 -19.339 0.144 2.468 1.00 0.00 C ATOM 773 O ASN A 60 -18.798 -0.660 3.231 1.00 0.00 O ATOM 774 CB ASN A 60 -21.341 -1.305 2.605 1.00 0.00 C ATOM 775 CG ASN A 60 -22.125 -1.286 3.919 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.234 -0.274 4.590 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.664 -2.457 4.244 1.00 0.00 N ATOM 0 H ASN A 60 -21.180 -0.412 0.232 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.365 0.828 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.973 -1.693 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.491 -1.981 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.208 -2.547 5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.533 -3.265 3.636 1.00 0.00 H new ATOM 784 N GLY A 61 -18.698 1.088 1.798 1.00 0.00 N ATOM 785 CA GLY A 61 -17.257 1.250 1.922 1.00 0.00 C ATOM 786 C GLY A 61 -16.551 -0.107 1.918 1.00 0.00 C ATOM 787 O GLY A 61 -15.567 -0.300 2.629 1.00 0.00 O ATOM 0 H GLY A 61 -19.148 1.750 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.884 1.861 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.025 1.782 2.845 1.00 0.00 H new ATOM 791 N SER A 62 -17.083 -1.012 1.109 1.00 0.00 N ATOM 792 CA SER A 62 -16.516 -2.346 1.003 1.00 0.00 C ATOM 793 C SER A 62 -15.546 -2.409 -0.180 1.00 0.00 C ATOM 794 O SER A 62 -15.955 -2.676 -1.309 1.00 0.00 O ATOM 795 CB SER A 62 -17.612 -3.401 0.846 1.00 0.00 C ATOM 796 OG SER A 62 -18.835 -2.993 1.453 1.00 0.00 O ATOM 0 H SER A 62 -17.900 -0.848 0.521 1.00 0.00 H new ATOM 0 HA SER A 62 -15.973 -2.560 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.780 -3.595 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.280 -4.338 1.293 1.00 0.00 H new ATOM 0 HG SER A 62 -19.510 -3.692 1.330 1.00 0.00 H new ATOM 802 N ALA A 63 -14.279 -2.161 0.121 1.00 0.00 N ATOM 803 CA ALA A 63 -13.249 -2.187 -0.903 1.00 0.00 C ATOM 804 C ALA A 63 -12.411 -3.458 -0.745 1.00 0.00 C ATOM 805 O ALA A 63 -11.304 -3.412 -0.212 1.00 0.00 O ATOM 806 CB ALA A 63 -12.402 -0.917 -0.807 1.00 0.00 C ATOM 0 H ALA A 63 -13.943 -1.941 1.059 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.697 -2.207 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.629 -0.936 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.038 -0.044 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.935 -0.865 0.176 1.00 0.00 H new ATOM 812 N SER A 64 -12.973 -4.560 -1.218 1.00 0.00 N ATOM 813 CA SER A 64 -12.292 -5.841 -1.138 1.00 0.00 C ATOM 814 C SER A 64 -11.539 -6.118 -2.440 1.00 0.00 C ATOM 815 O SER A 64 -11.981 -6.921 -3.259 1.00 0.00 O ATOM 816 CB SER A 64 -13.281 -6.972 -0.845 1.00 0.00 C ATOM 817 OG SER A 64 -14.489 -6.830 -1.585 1.00 0.00 O ATOM 0 H SER A 64 -13.893 -4.593 -1.658 1.00 0.00 H new ATOM 0 HA SER A 64 -11.577 -5.797 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.819 -7.929 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.509 -6.987 0.221 1.00 0.00 H new ATOM 0 HG SER A 64 -15.093 -7.572 -1.371 1.00 0.00 H new ATOM 823 N THR A 65 -10.413 -5.435 -2.591 1.00 0.00 N ATOM 824 CA THR A 65 -9.593 -5.597 -3.781 1.00 0.00 C ATOM 825 C THR A 65 -8.300 -6.336 -3.440 1.00 0.00 C ATOM 826 O THR A 65 -7.611 -5.983 -2.485 1.00 0.00 O ATOM 827 CB THR A 65 -9.361 -4.210 -4.386 1.00 0.00 C ATOM 828 OG1 THR A 65 -10.551 -3.949 -5.123 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.259 -4.213 -5.448 1.00 0.00 C ATOM 0 H THR A 65 -10.049 -4.769 -1.910 1.00 0.00 H new ATOM 0 HA THR A 65 -10.094 -6.213 -4.527 1.00 0.00 H new ATOM 0 HB THR A 65 -9.102 -3.507 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.322 -3.509 -5.968 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.134 -3.206 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.323 -4.545 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.535 -4.890 -6.256 1.00 0.00 H new ATOM 837 N SER A 66 -8.006 -7.351 -4.241 1.00 0.00 N ATOM 838 CA SER A 66 -6.806 -8.143 -4.036 1.00 0.00 C ATOM 839 C SER A 66 -5.675 -7.618 -4.921 1.00 0.00 C ATOM 840 O SER A 66 -5.910 -7.205 -6.055 1.00 0.00 O ATOM 841 CB SER A 66 -7.066 -9.623 -4.330 1.00 0.00 C ATOM 842 OG SER A 66 -7.118 -9.888 -5.728 1.00 0.00 O ATOM 0 H SER A 66 -8.579 -7.642 -5.033 1.00 0.00 H new ATOM 0 HA SER A 66 -6.512 -8.054 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.280 -10.226 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.006 -9.925 -3.869 1.00 0.00 H new ATOM 0 HG SER A 66 -7.284 -10.843 -5.874 1.00 0.00 H new ATOM 848 N LEU A 67 -4.470 -7.652 -4.369 1.00 0.00 N ATOM 849 CA LEU A 67 -3.301 -7.185 -5.094 1.00 0.00 C ATOM 850 C LEU A 67 -2.090 -8.026 -4.695 1.00 0.00 C ATOM 851 O LEU A 67 -2.202 -8.938 -3.877 1.00 0.00 O ATOM 852 CB LEU A 67 -3.104 -5.683 -4.882 1.00 0.00 C ATOM 853 CG LEU A 67 -3.188 -4.811 -6.135 1.00 0.00 C ATOM 854 CD1 LEU A 67 -4.636 -4.416 -6.431 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.274 -3.589 -6.016 1.00 0.00 C ATOM 0 H LEU A 67 -4.279 -7.996 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.441 -7.316 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.854 -5.335 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.129 -5.527 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.833 -5.397 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.668 -3.796 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.233 -5.314 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.040 -3.856 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.353 -2.986 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.575 -2.992 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.243 -3.917 -5.888 1.00 0.00 H new ATOM 867 N THR A 68 -0.955 -7.695 -5.295 1.00 0.00 N ATOM 868 CA THR A 68 0.278 -8.410 -5.012 1.00 0.00 C ATOM 869 C THR A 68 1.189 -7.568 -4.117 1.00 0.00 C ATOM 870 O THR A 68 1.451 -6.403 -4.411 1.00 0.00 O ATOM 871 CB THR A 68 0.922 -8.790 -6.348 1.00 0.00 C ATOM 872 OG1 THR A 68 0.025 -9.747 -6.905 1.00 0.00 O ATOM 873 CG2 THR A 68 2.229 -9.564 -6.169 1.00 0.00 C ATOM 0 H THR A 68 -0.864 -6.941 -5.976 1.00 0.00 H new ATOM 0 HA THR A 68 0.084 -9.327 -4.455 1.00 0.00 H new ATOM 0 HB THR A 68 1.112 -7.888 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.364 -10.046 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.644 -9.809 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.941 -8.952 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.035 -10.484 -5.617 1.00 0.00 H new ATOM 881 N VAL A 69 1.651 -8.190 -3.042 1.00 0.00 N ATOM 882 CA VAL A 69 2.527 -7.513 -2.103 1.00 0.00 C ATOM 883 C VAL A 69 3.980 -7.681 -2.552 1.00 0.00 C ATOM 884 O VAL A 69 4.643 -8.646 -2.173 1.00 0.00 O ATOM 885 CB VAL A 69 2.277 -8.034 -0.685 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.465 -7.729 0.229 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.982 -7.455 -0.110 1.00 0.00 C ATOM 0 H VAL A 69 1.434 -9.157 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 69 2.314 -6.444 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 69 2.166 -9.117 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.261 -8.110 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.361 -8.208 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.621 -6.651 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.827 -7.840 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.053 -6.368 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.142 -7.744 -0.742 1.00 0.00 H new ATOM 897 N ARG A 70 4.430 -6.731 -3.358 1.00 0.00 N ATOM 898 CA ARG A 70 5.791 -6.764 -3.864 1.00 0.00 C ATOM 899 C ARG A 70 6.733 -6.035 -2.903 1.00 0.00 C ATOM 900 O ARG A 70 6.579 -4.839 -2.663 1.00 0.00 O ATOM 901 CB ARG A 70 5.880 -6.110 -5.245 1.00 0.00 C ATOM 902 CG ARG A 70 5.193 -6.973 -6.305 1.00 0.00 C ATOM 903 CD ARG A 70 6.220 -7.744 -7.137 1.00 0.00 C ATOM 904 NE ARG A 70 5.545 -8.805 -7.916 1.00 0.00 N ATOM 905 CZ ARG A 70 6.037 -9.336 -9.044 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.210 -8.907 -9.532 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.356 -10.294 -9.686 1.00 0.00 N ATOM 0 H ARG A 70 3.877 -5.934 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 70 6.088 -7.809 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.415 -5.125 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.926 -5.961 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.511 -7.674 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.591 -6.342 -6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.741 -7.063 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.973 -8.184 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 70 4.650 -9.154 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.728 -8.176 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.584 -9.312 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.463 -10.620 -9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.731 -10.698 -10.544 1.00 0.00 H new ATOM 921 N ARG A 71 7.689 -6.789 -2.378 1.00 0.00 N ATOM 922 CA ARG A 71 8.655 -6.232 -1.448 1.00 0.00 C ATOM 923 C ARG A 71 9.841 -5.635 -2.208 1.00 0.00 C ATOM 924 O ARG A 71 10.436 -4.653 -1.768 1.00 0.00 O ATOM 925 CB ARG A 71 9.164 -7.298 -0.476 1.00 0.00 C ATOM 926 CG ARG A 71 10.217 -6.720 0.470 1.00 0.00 C ATOM 927 CD ARG A 71 11.358 -7.714 0.695 1.00 0.00 C ATOM 928 NE ARG A 71 11.854 -8.217 -0.604 1.00 0.00 N ATOM 929 CZ ARG A 71 12.840 -9.115 -0.735 1.00 0.00 C ATOM 930 NH1 ARG A 71 13.440 -9.618 0.353 1.00 0.00 N ATOM 931 NH2 ARG A 71 13.227 -9.514 -1.957 1.00 0.00 N ATOM 0 H ARG A 71 7.814 -7.781 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 71 8.153 -5.449 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.330 -7.696 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.590 -8.131 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.614 -5.793 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.755 -6.470 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.169 -7.232 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.011 -8.546 1.308 1.00 0.00 H new ATOM 0 HE ARG A 71 11.418 -7.858 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.146 -9.317 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.190 -10.301 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.771 -9.134 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.978 -10.198 -2.056 1.00 0.00 H new ATOM 945 N SER A 72 10.150 -6.256 -3.337 1.00 0.00 N ATOM 946 CA SER A 72 11.257 -5.799 -4.163 1.00 0.00 C ATOM 947 C SER A 72 10.721 -5.039 -5.378 1.00 0.00 C ATOM 948 O SER A 72 9.960 -5.588 -6.174 1.00 0.00 O ATOM 949 CB SER A 72 12.129 -6.974 -4.614 1.00 0.00 C ATOM 950 OG SER A 72 11.396 -7.913 -5.395 1.00 0.00 O ATOM 0 H SER A 72 9.655 -7.071 -3.699 1.00 0.00 H new ATOM 0 HA SER A 72 11.877 -5.130 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.971 -6.598 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.543 -7.475 -3.739 1.00 0.00 H new ATOM 0 HG SER A 72 11.032 -8.611 -4.811 1.00 0.00 H new ATOM 956 N PHE A 73 11.141 -3.786 -5.482 1.00 0.00 N ATOM 957 CA PHE A 73 10.715 -2.944 -6.588 1.00 0.00 C ATOM 958 C PHE A 73 11.027 -1.471 -6.309 1.00 0.00 C ATOM 959 O PHE A 73 10.664 -0.946 -5.258 1.00 0.00 O ATOM 960 CB PHE A 73 9.200 -3.115 -6.721 1.00 0.00 C ATOM 961 CG PHE A 73 8.759 -3.752 -8.041 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.450 -3.495 -9.184 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.678 -4.575 -8.071 1.00 0.00 C ATOM 964 CE1 PHE A 73 9.040 -4.085 -10.408 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.269 -5.166 -9.294 1.00 0.00 C ATOM 966 CZ PHE A 73 7.957 -4.909 -10.438 1.00 0.00 C ATOM 0 H PHE A 73 11.771 -3.334 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 73 11.240 -3.232 -7.499 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.840 -3.729 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.725 -2.139 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.310 -2.842 -9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.130 -4.779 -7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.588 -3.880 -11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.410 -5.821 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.645 -5.358 -11.369 1.00 0.00 H new ATOM 976 N GLU A 74 11.698 -0.851 -7.267 1.00 0.00 N ATOM 977 CA GLU A 74 12.064 0.550 -7.138 1.00 0.00 C ATOM 978 C GLU A 74 10.838 1.439 -7.351 1.00 0.00 C ATOM 979 O GLU A 74 10.276 1.476 -8.446 1.00 0.00 O ATOM 980 CB GLU A 74 13.185 0.916 -8.111 1.00 0.00 C ATOM 981 CG GLU A 74 13.519 2.406 -8.028 1.00 0.00 C ATOM 982 CD GLU A 74 15.000 2.620 -7.712 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.798 2.567 -8.671 1.00 0.00 O ATOM 984 OE2 GLU A 74 15.300 2.832 -6.516 1.00 0.00 O ATOM 0 H GLU A 74 11.998 -1.292 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 74 12.438 0.717 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.074 0.327 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.885 0.663 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.271 2.891 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.908 2.877 -7.258 1.00 0.00 H new ATOM 992 N GLY A 75 10.460 2.137 -6.290 1.00 0.00 N ATOM 993 CA GLY A 75 9.312 3.025 -6.349 1.00 0.00 C ATOM 994 C GLY A 75 9.751 4.480 -6.521 1.00 0.00 C ATOM 995 O GLY A 75 10.825 4.750 -7.057 1.00 0.00 O ATOM 0 H GLY A 75 10.929 2.105 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.667 2.736 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.723 2.925 -5.437 1.00 0.00 H new ATOM 999 N PHE A 76 8.901 5.383 -6.052 1.00 0.00 N ATOM 1000 CA PHE A 76 9.188 6.804 -6.147 1.00 0.00 C ATOM 1001 C PHE A 76 9.058 7.481 -4.780 1.00 0.00 C ATOM 1002 O PHE A 76 8.217 7.092 -3.969 1.00 0.00 O ATOM 1003 CB PHE A 76 8.158 7.406 -7.102 1.00 0.00 C ATOM 1004 CG PHE A 76 8.407 7.073 -8.575 1.00 0.00 C ATOM 1005 CD1 PHE A 76 9.208 7.875 -9.328 1.00 0.00 C ATOM 1006 CD2 PHE A 76 7.826 5.976 -9.132 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.440 7.565 -10.694 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.057 5.668 -10.499 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.858 6.469 -11.250 1.00 0.00 C ATOM 0 H PHE A 76 8.013 5.157 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 76 10.207 6.955 -6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.166 7.050 -6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.154 8.489 -6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.667 8.747 -8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.190 5.340 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.078 8.199 -11.291 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.596 4.797 -10.942 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.032 6.235 -12.290 1.00 0.00 H new ATOM 1019 N LEU A 77 9.899 8.484 -4.570 1.00 0.00 N ATOM 1020 CA LEU A 77 9.888 9.219 -3.317 1.00 0.00 C ATOM 1021 C LEU A 77 8.895 10.378 -3.420 1.00 0.00 C ATOM 1022 O LEU A 77 8.261 10.566 -4.456 1.00 0.00 O ATOM 1023 CB LEU A 77 11.305 9.652 -2.936 1.00 0.00 C ATOM 1024 CG LEU A 77 12.206 8.564 -2.353 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.659 8.761 -2.790 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.070 8.498 -0.831 1.00 0.00 C ATOM 0 H LEU A 77 10.592 8.804 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 77 9.548 8.579 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.789 10.060 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.233 10.463 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 77 11.879 7.602 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.278 7.973 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.721 8.719 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.015 9.731 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.721 7.716 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.355 9.457 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.036 8.274 -0.567 1.00 0.00 H new ATOM 1038 N PHE A 78 8.793 11.127 -2.332 1.00 0.00 N ATOM 1039 CA PHE A 78 7.889 12.262 -2.287 1.00 0.00 C ATOM 1040 C PHE A 78 8.410 13.412 -3.153 1.00 0.00 C ATOM 1041 O PHE A 78 7.640 14.269 -3.583 1.00 0.00 O ATOM 1042 CB PHE A 78 7.826 12.726 -0.830 1.00 0.00 C ATOM 1043 CG PHE A 78 6.955 13.966 -0.610 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.627 13.829 -0.357 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.512 15.206 -0.666 1.00 0.00 C ATOM 1046 CE1 PHE A 78 4.820 14.980 -0.152 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.705 16.356 -0.461 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.377 16.219 -0.208 1.00 0.00 C ATOM 0 H PHE A 78 9.322 10.969 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 78 6.909 11.972 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.442 11.911 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.837 12.938 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.185 12.845 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.568 15.316 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.764 14.871 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.147 17.340 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.764 17.094 -0.051 1.00 0.00 H new ATOM 1058 N ASP A 79 9.714 13.392 -3.383 1.00 0.00 N ATOM 1059 CA ASP A 79 10.348 14.423 -4.190 1.00 0.00 C ATOM 1060 C ASP A 79 9.997 14.198 -5.662 1.00 0.00 C ATOM 1061 O ASP A 79 9.361 15.045 -6.289 1.00 0.00 O ATOM 1062 CB ASP A 79 11.872 14.371 -4.053 1.00 0.00 C ATOM 1063 CG ASP A 79 12.645 15.015 -5.206 1.00 0.00 C ATOM 1064 OD1 ASP A 79 12.291 16.160 -5.558 1.00 0.00 O ATOM 1065 OD2 ASP A 79 13.575 14.347 -5.705 1.00 0.00 O ATOM 0 H ASP A 79 10.350 12.679 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 79 9.988 15.392 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.156 14.865 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.179 13.329 -3.966 1.00 0.00 H new ATOM 1071 N GLY A 80 10.427 13.054 -6.172 1.00 0.00 N ATOM 1072 CA GLY A 80 10.166 12.707 -7.559 1.00 0.00 C ATOM 1073 C GLY A 80 11.083 11.573 -8.021 1.00 0.00 C ATOM 1074 O GLY A 80 10.748 10.839 -8.951 1.00 0.00 O ATOM 0 H GLY A 80 10.955 12.355 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.124 12.407 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.317 13.582 -8.191 1.00 0.00 H new ATOM 1078 N THR A 81 12.219 11.462 -7.353 1.00 0.00 N ATOM 1079 CA THR A 81 13.186 10.428 -7.683 1.00 0.00 C ATOM 1080 C THR A 81 12.511 9.056 -7.713 1.00 0.00 C ATOM 1081 O THR A 81 11.478 8.855 -7.074 1.00 0.00 O ATOM 1082 CB THR A 81 14.338 10.518 -6.679 1.00 0.00 C ATOM 1083 OG1 THR A 81 15.108 9.344 -6.928 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.866 10.355 -5.233 1.00 0.00 C ATOM 0 H THR A 81 12.494 12.072 -6.583 1.00 0.00 H new ATOM 0 HA THR A 81 13.596 10.575 -8.682 1.00 0.00 H new ATOM 0 HB THR A 81 14.844 11.477 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.877 9.322 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.721 10.427 -4.561 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.149 11.141 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.391 9.381 -5.113 1.00 0.00 H new ATOM 1092 N ARG A 82 13.120 8.148 -8.458 1.00 0.00 N ATOM 1093 CA ARG A 82 12.591 6.799 -8.578 1.00 0.00 C ATOM 1094 C ARG A 82 13.275 5.869 -7.578 1.00 0.00 C ATOM 1095 O ARG A 82 14.170 5.105 -7.947 1.00 0.00 O ATOM 1096 CB ARG A 82 12.791 6.253 -9.994 1.00 0.00 C ATOM 1097 CG ARG A 82 11.805 5.122 -10.291 1.00 0.00 C ATOM 1098 CD ARG A 82 11.982 4.598 -11.716 1.00 0.00 C ATOM 1099 NE ARG A 82 12.161 3.128 -11.697 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.438 2.393 -12.781 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.572 2.983 -13.978 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.583 1.064 -12.671 1.00 0.00 N ATOM 0 H ARG A 82 13.976 8.319 -8.986 1.00 0.00 H new ATOM 0 HA ARG A 82 11.523 6.842 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.658 7.056 -10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.812 5.889 -10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.954 4.309 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.784 5.480 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.112 4.859 -12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.846 5.072 -12.182 1.00 0.00 H new ATOM 0 HE ARG A 82 12.067 2.646 -10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.463 3.994 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.783 2.421 -14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.482 0.614 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.794 0.504 -13.497 1.00 0.00 H new ATOM 1116 N TRP A 83 12.834 5.960 -6.334 1.00 0.00 N ATOM 1117 CA TRP A 83 13.395 5.135 -5.277 1.00 0.00 C ATOM 1118 C TRP A 83 12.303 4.178 -4.794 1.00 0.00 C ATOM 1119 O TRP A 83 12.223 3.040 -5.254 1.00 0.00 O ATOM 1120 CB TRP A 83 13.971 5.999 -4.154 1.00 0.00 C ATOM 1121 CG TRP A 83 14.630 5.199 -3.027 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.057 4.312 -2.202 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.017 5.250 -2.636 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.971 3.789 -1.311 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.202 4.378 -1.582 1.00 0.00 C ATOM 1126 CE3 TRP A 83 17.081 6.007 -3.153 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.438 4.180 -0.956 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.312 5.799 -2.517 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.514 4.925 -1.455 1.00 0.00 C ATOM 0 H TRP A 83 12.093 6.593 -6.032 1.00 0.00 H new ATOM 0 HA TRP A 83 14.233 4.547 -5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.706 6.684 -4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.172 6.609 -3.733 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.012 4.041 -2.231 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.779 3.097 -0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.960 6.695 -3.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.556 3.490 -0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 19.164 6.357 -2.877 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.496 4.821 -1.017 1.00 0.00 H new ATOM 1140 N GLY A 84 11.488 4.676 -3.877 1.00 0.00 N ATOM 1141 CA GLY A 84 10.403 3.880 -3.328 1.00 0.00 C ATOM 1142 C GLY A 84 10.913 2.521 -2.838 1.00 0.00 C ATOM 1143 O GLY A 84 11.814 1.939 -3.441 1.00 0.00 O ATOM 0 H GLY A 84 11.557 5.621 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.935 4.416 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.635 3.732 -4.087 1.00 0.00 H new ATOM 1147 N THR A 85 10.316 2.059 -1.749 1.00 0.00 N ATOM 1148 CA THR A 85 10.700 0.781 -1.172 1.00 0.00 C ATOM 1149 C THR A 85 12.005 0.284 -1.796 1.00 0.00 C ATOM 1150 O THR A 85 13.079 0.477 -1.232 1.00 0.00 O ATOM 1151 CB THR A 85 9.529 -0.187 -1.352 1.00 0.00 C ATOM 1152 OG1 THR A 85 8.689 0.070 -0.231 1.00 0.00 O ATOM 1153 CG2 THR A 85 9.949 -1.649 -1.175 1.00 0.00 C ATOM 0 H THR A 85 9.570 2.546 -1.251 1.00 0.00 H new ATOM 0 HA THR A 85 10.904 0.872 -0.105 1.00 0.00 H new ATOM 0 HB THR A 85 9.093 -0.050 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.807 0.360 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.082 -2.296 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.710 -1.901 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.354 -1.793 -0.173 1.00 0.00 H new ATOM 1161 N VAL A 86 11.865 -0.348 -2.952 1.00 0.00 N ATOM 1162 CA VAL A 86 13.020 -0.877 -3.660 1.00 0.00 C ATOM 1163 C VAL A 86 13.404 -2.230 -3.061 1.00 0.00 C ATOM 1164 O VAL A 86 13.568 -3.210 -3.787 1.00 0.00 O ATOM 1165 CB VAL A 86 14.163 0.139 -3.627 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.322 -0.366 -2.763 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.640 0.475 -5.041 1.00 0.00 C ATOM 0 H VAL A 86 10.971 -0.506 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 86 12.782 -1.044 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 86 13.783 1.055 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.121 0.375 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.972 -0.530 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.700 -1.303 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.453 1.199 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.994 -0.432 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.814 0.898 -5.613 1.00 0.00 H new ATOM 1177 N ASP A 87 13.538 -2.241 -1.744 1.00 0.00 N ATOM 1178 CA ASP A 87 13.901 -3.458 -1.039 1.00 0.00 C ATOM 1179 C ASP A 87 13.320 -3.417 0.377 1.00 0.00 C ATOM 1180 O ASP A 87 14.024 -3.092 1.332 1.00 0.00 O ATOM 1181 CB ASP A 87 15.420 -3.596 -0.922 1.00 0.00 C ATOM 1182 CG ASP A 87 15.932 -5.033 -0.797 1.00 0.00 C ATOM 1183 OD1 ASP A 87 16.837 -5.243 0.040 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.408 -5.888 -1.543 1.00 0.00 O ATOM 0 H ASP A 87 13.402 -1.426 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 87 13.504 -4.303 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.880 -3.137 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.755 -3.030 -0.053 1.00 0.00 H new ATOM 1190 N CYS A 88 12.042 -3.751 0.467 1.00 0.00 N ATOM 1191 CA CYS A 88 11.359 -3.755 1.748 1.00 0.00 C ATOM 1192 C CYS A 88 11.911 -4.911 2.586 1.00 0.00 C ATOM 1193 O CYS A 88 11.172 -5.817 2.965 1.00 0.00 O ATOM 1194 CB CYS A 88 9.841 -3.849 1.581 1.00 0.00 C ATOM 1195 SG CYS A 88 8.922 -2.337 2.050 1.00 0.00 S ATOM 0 H CYS A 88 11.461 -4.021 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 88 11.546 -2.812 2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.618 -4.085 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.474 -4.681 2.182 1.00 0.00 H new ATOM 1200 N THR A 89 13.208 -4.842 2.847 1.00 0.00 N ATOM 1201 CA THR A 89 13.871 -5.870 3.630 1.00 0.00 C ATOM 1202 C THR A 89 13.934 -5.461 5.103 1.00 0.00 C ATOM 1203 O THR A 89 14.359 -6.244 5.951 1.00 0.00 O ATOM 1204 CB THR A 89 15.245 -6.127 3.012 1.00 0.00 C ATOM 1205 OG1 THR A 89 15.679 -7.341 3.618 1.00 0.00 O ATOM 1206 CG2 THR A 89 16.287 -5.096 3.455 1.00 0.00 C ATOM 0 H THR A 89 13.818 -4.089 2.529 1.00 0.00 H new ATOM 0 HA THR A 89 13.311 -6.805 3.608 1.00 0.00 H new ATOM 0 HB THR A 89 15.161 -6.117 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.322 -7.398 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.245 -5.324 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.964 -4.100 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 89 16.394 -5.130 4.539 1.00 0.00 H new ATOM 1214 N THR A 90 13.504 -4.235 5.362 1.00 0.00 N ATOM 1215 CA THR A 90 13.506 -3.712 6.719 1.00 0.00 C ATOM 1216 C THR A 90 12.388 -2.684 6.896 1.00 0.00 C ATOM 1217 O THR A 90 11.670 -2.706 7.893 1.00 0.00 O ATOM 1218 CB THR A 90 14.900 -3.149 7.006 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.700 -4.306 7.235 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.961 -2.385 8.329 1.00 0.00 C ATOM 0 H THR A 90 13.152 -3.588 4.656 1.00 0.00 H new ATOM 0 HA THR A 90 13.300 -4.498 7.446 1.00 0.00 H new ATOM 0 HB THR A 90 15.200 -2.489 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.148 -5.110 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.971 -2.007 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.261 -1.550 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.694 -3.053 9.148 1.00 0.00 H new ATOM 1228 N ALA A 91 12.275 -1.804 5.910 1.00 0.00 N ATOM 1229 CA ALA A 91 11.256 -0.769 5.944 1.00 0.00 C ATOM 1230 C ALA A 91 9.872 -1.420 5.888 1.00 0.00 C ATOM 1231 O ALA A 91 9.657 -2.365 5.132 1.00 0.00 O ATOM 1232 CB ALA A 91 11.488 0.212 4.793 1.00 0.00 C ATOM 0 H ALA A 91 12.873 -1.787 5.084 1.00 0.00 H new ATOM 0 HA ALA A 91 11.315 -0.201 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.724 0.989 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.473 0.668 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.433 -0.321 3.844 1.00 0.00 H new ATOM 1238 N ALA A 92 8.971 -0.887 6.698 1.00 0.00 N ATOM 1239 CA ALA A 92 7.612 -1.403 6.750 1.00 0.00 C ATOM 1240 C ALA A 92 6.778 -0.744 5.651 1.00 0.00 C ATOM 1241 O ALA A 92 6.595 0.473 5.648 1.00 0.00 O ATOM 1242 CB ALA A 92 7.028 -1.168 8.145 1.00 0.00 C ATOM 0 H ALA A 92 9.154 -0.103 7.324 1.00 0.00 H new ATOM 0 HA ALA A 92 7.604 -2.478 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.010 -1.555 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.639 -1.682 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.018 -0.099 8.360 1.00 0.00 H new ATOM 1248 N CYS A 93 6.293 -1.576 4.741 1.00 0.00 N ATOM 1249 CA CYS A 93 5.483 -1.089 3.637 1.00 0.00 C ATOM 1250 C CYS A 93 4.016 -1.128 4.066 1.00 0.00 C ATOM 1251 O CYS A 93 3.532 -2.153 4.547 1.00 0.00 O ATOM 1252 CB CYS A 93 5.725 -1.893 2.358 1.00 0.00 C ATOM 1253 SG CYS A 93 7.131 -3.063 2.442 1.00 0.00 S ATOM 0 H CYS A 93 6.445 -2.585 4.746 1.00 0.00 H new ATOM 0 HA CYS A 93 5.765 -0.063 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.820 -2.451 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.897 -1.198 1.536 1.00 0.00 H new ATOM 1258 N GLN A 94 3.346 0.000 3.878 1.00 0.00 N ATOM 1259 CA GLN A 94 1.942 0.107 4.240 1.00 0.00 C ATOM 1260 C GLN A 94 1.062 -0.022 2.995 1.00 0.00 C ATOM 1261 O GLN A 94 1.118 0.818 2.099 1.00 0.00 O ATOM 1262 CB GLN A 94 1.664 1.421 4.972 1.00 0.00 C ATOM 1263 CG GLN A 94 2.398 1.466 6.315 1.00 0.00 C ATOM 1264 CD GLN A 94 2.889 2.882 6.624 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.457 3.859 6.034 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.810 2.938 7.578 1.00 0.00 N ATOM 0 H GLN A 94 3.749 0.848 3.480 1.00 0.00 H new ATOM 0 HA GLN A 94 1.699 -0.709 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.980 2.260 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.592 1.531 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.733 1.127 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.245 0.780 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.127 2.081 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.200 3.838 7.858 1.00 0.00 H new ATOM 1275 N VAL A 95 0.270 -1.085 2.978 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.621 -1.336 1.859 1.00 0.00 C ATOM 1277 C VAL A 95 -1.949 -0.612 2.095 1.00 0.00 C ATOM 1278 O VAL A 95 -2.757 -1.040 2.918 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.791 -2.842 1.653 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.400 -3.144 0.281 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.540 -3.574 1.834 1.00 0.00 C ATOM 0 H VAL A 95 0.227 -1.782 3.722 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.195 -0.941 0.937 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.481 -3.207 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.510 -4.222 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.378 -2.669 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.746 -2.757 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.391 -4.643 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.262 -3.201 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.917 -3.400 2.842 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.133 0.474 1.359 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.348 1.263 1.478 1.00 0.00 C ATOM 1293 C GLY A 96 -3.634 2.027 0.185 1.00 0.00 C ATOM 1294 O GLY A 96 -2.842 1.985 -0.753 1.00 0.00 O ATOM 0 H GLY A 96 -1.461 0.827 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.189 0.610 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.250 1.966 2.306 1.00 0.00 H new ATOM 1298 N LEU A 97 -4.772 2.710 0.178 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.172 3.483 -0.985 1.00 0.00 C ATOM 1300 C LEU A 97 -4.986 4.973 -0.689 1.00 0.00 C ATOM 1301 O LEU A 97 -5.142 5.409 0.452 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.595 3.113 -1.409 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.561 2.757 -0.278 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.199 1.408 0.346 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.621 3.874 0.766 1.00 0.00 C ATOM 0 H LEU A 97 -5.428 2.743 0.959 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.537 3.245 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.015 3.949 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.540 2.266 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.561 2.659 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.901 1.178 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.250 0.630 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.188 1.454 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.315 3.594 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.629 4.029 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.962 4.795 0.294 1.00 0.00 H new ATOM 1317 N SER A 98 -4.654 5.714 -1.736 1.00 0.00 N ATOM 1318 CA SER A 98 -4.447 7.147 -1.604 1.00 0.00 C ATOM 1319 C SER A 98 -5.688 7.904 -2.079 1.00 0.00 C ATOM 1320 O SER A 98 -6.337 7.493 -3.041 1.00 0.00 O ATOM 1321 CB SER A 98 -3.216 7.599 -2.390 1.00 0.00 C ATOM 1322 OG SER A 98 -3.566 8.417 -3.504 1.00 0.00 O ATOM 0 H SER A 98 -4.523 5.349 -2.680 1.00 0.00 H new ATOM 0 HA SER A 98 -4.276 7.371 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.547 8.151 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.668 6.724 -2.740 1.00 0.00 H new ATOM 0 HG SER A 98 -2.753 8.687 -3.980 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.982 8.992 -1.385 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.135 9.809 -1.724 1.00 0.00 C ATOM 1330 C ASP A 99 -6.767 10.745 -2.876 1.00 0.00 C ATOM 1331 O ASP A 99 -5.590 11.007 -3.119 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.570 10.667 -0.536 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.101 10.168 0.833 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.972 10.039 1.719 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -5.881 9.923 0.959 1.00 0.00 O ATOM 0 H ASP A 99 -5.441 9.328 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.951 9.143 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.196 11.680 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.658 10.727 -0.530 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.797 11.229 -3.555 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.598 12.132 -4.677 1.00 0.00 C ATOM 1343 C ALA A 100 -7.288 13.534 -4.146 1.00 0.00 C ATOM 1344 O ALA A 100 -6.864 14.406 -4.902 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.835 12.109 -5.576 1.00 0.00 C ATOM 0 H ALA A 100 -8.772 11.013 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.750 11.813 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.686 12.786 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.995 11.097 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.706 12.427 -5.004 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.513 13.706 -2.852 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.263 14.987 -2.213 1.00 0.00 C ATOM 1353 C ALA A 101 -5.834 15.009 -1.669 1.00 0.00 C ATOM 1354 O ALA A 101 -5.322 16.066 -1.302 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.309 15.225 -1.121 1.00 0.00 C ATOM 0 H ALA A 101 -7.866 12.980 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.353 15.801 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.122 16.186 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.304 15.229 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.246 14.430 -0.378 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.230 13.831 -1.631 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.871 13.703 -1.137 1.00 0.00 C ATOM 1363 C GLY A 102 -3.815 13.911 0.377 1.00 0.00 C ATOM 1364 O GLY A 102 -2.967 14.651 0.875 1.00 0.00 O ATOM 0 H GLY A 102 -5.658 12.956 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.481 12.716 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.230 14.433 -1.632 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.729 13.247 1.068 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.796 13.352 2.515 1.00 0.00 C ATOM 1370 C ASN A 103 -4.233 12.073 3.139 1.00 0.00 C ATOM 1371 O ASN A 103 -4.371 10.989 2.575 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.240 13.513 2.991 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.844 14.822 2.480 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -8.072 14.697 1.986 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -6.234 15.878 2.530 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.430 12.634 0.652 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.219 14.226 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.838 12.672 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.272 13.495 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.293 15.905 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.665 16.733 2.180 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.611 12.244 4.298 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.026 11.116 5.006 1.00 0.00 C ATOM 1384 C GLY A 104 -3.877 9.859 4.831 1.00 0.00 C ATOM 1385 O GLY A 104 -4.856 9.660 5.551 1.00 0.00 O ATOM 0 H GLY A 104 -3.500 13.145 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.018 10.932 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.936 11.354 6.066 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.465 9.016 3.845 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.181 7.782 3.566 1.00 0.00 C ATOM 1391 C PRO A 105 -3.889 6.727 4.636 1.00 0.00 C ATOM 1392 O PRO A 105 -2.808 6.716 5.224 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.718 7.366 2.180 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.424 8.121 1.924 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.311 9.218 2.973 1.00 0.00 C ATOM 0 HA PRO A 105 -5.264 7.907 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.557 6.289 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.468 7.612 1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.570 7.446 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.423 8.549 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.376 9.140 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.329 10.207 2.515 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.871 5.867 4.856 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.734 4.809 5.843 1.00 0.00 C ATOM 1405 C GLU A 106 -4.086 3.575 5.213 1.00 0.00 C ATOM 1406 O GLU A 106 -4.717 2.868 4.432 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.087 4.459 6.464 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.236 5.095 7.848 1.00 0.00 C ATOM 1409 CD GLU A 106 -6.907 6.466 7.754 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -6.407 7.290 6.957 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.905 6.662 8.481 1.00 0.00 O ATOM 0 H GLU A 106 -5.766 5.881 4.367 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.086 5.168 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.890 4.804 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.185 3.376 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.826 4.441 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.255 5.198 8.312 1.00 0.00 H new ATOM 1419 N GLY A 107 -2.830 3.355 5.579 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.090 2.218 5.060 1.00 0.00 C ATOM 1421 C GLY A 107 -1.995 1.102 6.102 1.00 0.00 C ATOM 1422 O GLY A 107 -2.009 1.367 7.302 1.00 0.00 O ATOM 0 H GLY A 107 -2.308 3.944 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.579 1.841 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.088 2.534 4.769 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.902 -0.122 5.605 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.804 -1.281 6.478 1.00 0.00 C ATOM 1428 C VAL A 108 -0.348 -1.744 6.544 1.00 0.00 C ATOM 1429 O VAL A 108 0.224 -2.152 5.534 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.760 -2.375 6.003 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.272 -3.000 4.696 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.953 -3.441 7.083 1.00 0.00 C ATOM 0 H VAL A 108 -1.892 -0.338 4.608 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.107 -1.022 7.492 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.729 -1.913 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.970 -3.775 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.211 -2.231 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.286 -3.440 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.637 -4.207 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.992 -3.896 7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.368 -2.980 7.979 1.00 0.00 H new ATOM 1442 N ALA A 109 0.211 -1.665 7.742 1.00 0.00 N ATOM 1443 CA ALA A 109 1.589 -2.072 7.952 1.00 0.00 C ATOM 1444 C ALA A 109 1.713 -3.581 7.720 1.00 0.00 C ATOM 1445 O ALA A 109 1.518 -4.373 8.642 1.00 0.00 O ATOM 1446 CB ALA A 109 2.036 -1.661 9.357 1.00 0.00 C ATOM 0 H ALA A 109 -0.266 -1.325 8.577 1.00 0.00 H new ATOM 0 HA ALA A 109 2.248 -1.573 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.070 -1.967 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.958 -0.579 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.399 -2.144 10.098 1.00 0.00 H new ATOM 1452 N ILE A 110 2.035 -3.932 6.484 1.00 0.00 N ATOM 1453 CA ILE A 110 2.186 -5.331 6.120 1.00 0.00 C ATOM 1454 C ILE A 110 3.462 -5.885 6.755 1.00 0.00 C ATOM 1455 O ILE A 110 4.437 -5.155 6.936 1.00 0.00 O ATOM 1456 CB ILE A 110 2.136 -5.496 4.598 1.00 0.00 C ATOM 1457 CG1 ILE A 110 2.169 -6.975 4.207 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.252 -4.699 3.922 1.00 0.00 C ATOM 1459 CD1 ILE A 110 1.311 -7.233 2.966 1.00 0.00 C ATOM 0 H ILE A 110 2.195 -3.273 5.722 1.00 0.00 H new ATOM 0 HA ILE A 110 1.355 -5.918 6.511 1.00 0.00 H new ATOM 0 HB ILE A 110 1.190 -5.089 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.197 -7.281 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.807 -7.582 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.193 -4.834 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.141 -3.642 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.219 -5.052 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.352 -8.292 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.279 -6.949 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.691 -6.643 2.132 1.00 0.00 H new ATOM 1471 N SER A 111 3.416 -7.168 7.078 1.00 0.00 N ATOM 1472 CA SER A 111 4.556 -7.827 7.690 1.00 0.00 C ATOM 1473 C SER A 111 5.732 -7.855 6.711 1.00 0.00 C ATOM 1474 O SER A 111 6.109 -8.918 6.216 1.00 0.00 O ATOM 1475 CB SER A 111 4.201 -9.248 8.132 1.00 0.00 C ATOM 1476 OG SER A 111 3.472 -9.260 9.356 1.00 0.00 O ATOM 0 H SER A 111 2.606 -7.770 6.927 1.00 0.00 H new ATOM 0 HA SER A 111 4.842 -7.261 8.577 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.611 -9.733 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.115 -9.830 8.249 1.00 0.00 H new ATOM 0 HG SER A 111 2.554 -8.957 9.193 1.00 0.00 H new