USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 645 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 8 SER OG : rot 180:sc= -1.45 USER MOD Set 1.2: A 68 TYR OH : rot 158:sc= 1.24 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -2.82! C(o=-3!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0779 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.045 USER MOD Single : A 3 SER OG : rot 180:sc= -0.114 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.192 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -124:sc= 0.724 USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= -0.859 (180deg=-4.01!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc=-0.00471 (180deg=-0.19) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -0.288 F(o=-1,f=-0.29) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-9.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 41 LYS NZ :NH3+ -123:sc= -0.285 (180deg=-1.89!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.172 USER MOD Single : A 60 SER OG : rot -153:sc= -1.74! USER MOD Single : A 63 ASN : amide:sc= 0.0221 K(o=0.022,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -80:sc= 0.913 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= -0.304 (180deg=-1.03) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.278 9.813 -11.623 1.00 0.00 N ATOM 2 CA GLY A 1 18.338 8.708 -11.588 1.00 0.00 C ATOM 3 C GLY A 1 18.122 8.176 -10.185 1.00 0.00 C ATOM 4 O GLY A 1 18.546 8.792 -9.208 1.00 0.00 O ATOM 0 H1 GLY A 1 18.828 10.637 -12.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.562 10.058 -10.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.118 9.537 -12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.383 9.034 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.703 7.904 -12.226 1.00 0.00 H new ATOM 8 N SER A 2 17.459 7.028 -10.085 1.00 0.00 N ATOM 9 CA SER A 2 17.182 6.416 -8.791 1.00 0.00 C ATOM 10 C SER A 2 16.345 7.345 -7.918 1.00 0.00 C ATOM 11 O SER A 2 16.602 7.490 -6.723 1.00 0.00 O ATOM 12 CB SER A 2 18.490 6.067 -8.078 1.00 0.00 C ATOM 13 OG SER A 2 18.273 5.114 -7.052 1.00 0.00 O ATOM 0 H SER A 2 17.104 6.503 -10.884 1.00 0.00 H new ATOM 0 HA SER A 2 16.615 5.501 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.207 5.673 -8.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.928 6.970 -7.653 1.00 0.00 H new ATOM 0 HG SER A 2 17.608 5.459 -6.421 1.00 0.00 H new ATOM 19 N SER A 3 15.343 7.974 -8.524 1.00 0.00 N ATOM 20 CA SER A 3 14.470 8.893 -7.803 1.00 0.00 C ATOM 21 C SER A 3 13.427 8.130 -6.994 1.00 0.00 C ATOM 22 O SER A 3 13.190 6.945 -7.225 1.00 0.00 O ATOM 23 CB SER A 3 13.777 9.844 -8.781 1.00 0.00 C ATOM 24 OG SER A 3 12.961 10.777 -8.094 1.00 0.00 O ATOM 0 H SER A 3 15.116 7.864 -9.512 1.00 0.00 H new ATOM 0 HA SER A 3 15.084 9.474 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.526 10.375 -9.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.169 9.271 -9.481 1.00 0.00 H new ATOM 0 HG SER A 3 12.531 11.374 -8.741 1.00 0.00 H new ATOM 30 N GLY A 4 12.805 8.819 -6.041 1.00 0.00 N ATOM 31 CA GLY A 4 11.795 8.191 -5.211 1.00 0.00 C ATOM 32 C GLY A 4 10.604 9.095 -4.963 1.00 0.00 C ATOM 33 O GLY A 4 10.179 9.275 -3.821 1.00 0.00 O ATOM 0 H GLY A 4 12.983 9.801 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.456 7.272 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.238 7.909 -4.256 1.00 0.00 H new ATOM 37 N SER A 5 10.064 9.667 -6.034 1.00 0.00 N ATOM 38 CA SER A 5 8.918 10.562 -5.927 1.00 0.00 C ATOM 39 C SER A 5 7.676 9.803 -5.470 1.00 0.00 C ATOM 40 O SER A 5 7.630 8.574 -5.528 1.00 0.00 O ATOM 41 CB SER A 5 8.648 11.242 -7.271 1.00 0.00 C ATOM 42 OG SER A 5 7.810 12.374 -7.110 1.00 0.00 O ATOM 0 H SER A 5 10.402 9.527 -6.986 1.00 0.00 H new ATOM 0 HA SER A 5 9.151 11.323 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.591 11.545 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.180 10.533 -7.953 1.00 0.00 H new ATOM 0 HG SER A 5 7.654 12.792 -7.982 1.00 0.00 H new ATOM 48 N SER A 6 6.670 10.544 -5.016 1.00 0.00 N ATOM 49 CA SER A 6 5.428 9.942 -4.545 1.00 0.00 C ATOM 50 C SER A 6 4.247 10.879 -4.779 1.00 0.00 C ATOM 51 O SER A 6 4.280 12.046 -4.391 1.00 0.00 O ATOM 52 CB SER A 6 5.535 9.599 -3.058 1.00 0.00 C ATOM 53 OG SER A 6 5.870 10.744 -2.293 1.00 0.00 O ATOM 0 H SER A 6 6.691 11.562 -4.964 1.00 0.00 H new ATOM 0 HA SER A 6 5.260 9.026 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.588 9.188 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.291 8.827 -2.913 1.00 0.00 H new ATOM 0 HG SER A 6 5.602 11.552 -2.779 1.00 0.00 H new ATOM 59 N GLY A 7 3.204 10.358 -5.418 1.00 0.00 N ATOM 60 CA GLY A 7 2.027 11.160 -5.694 1.00 0.00 C ATOM 61 C GLY A 7 0.746 10.484 -5.246 1.00 0.00 C ATOM 62 O GLY A 7 0.210 10.797 -4.183 1.00 0.00 O ATOM 0 H GLY A 7 3.153 9.395 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.121 12.123 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.972 11.363 -6.764 1.00 0.00 H new ATOM 66 N SER A 8 0.254 9.555 -6.058 1.00 0.00 N ATOM 67 CA SER A 8 -0.975 8.836 -5.742 1.00 0.00 C ATOM 68 C SER A 8 -0.667 7.500 -5.073 1.00 0.00 C ATOM 69 O SER A 8 0.419 6.945 -5.241 1.00 0.00 O ATOM 70 CB SER A 8 -1.798 8.606 -7.011 1.00 0.00 C ATOM 71 OG SER A 8 -2.474 9.789 -7.402 1.00 0.00 O ATOM 0 H SER A 8 0.687 9.282 -6.940 1.00 0.00 H new ATOM 0 HA SER A 8 -1.554 9.445 -5.048 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.144 8.274 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.522 7.810 -6.839 1.00 0.00 H new ATOM 0 HG SER A 8 -2.992 9.616 -8.216 1.00 0.00 H new ATOM 77 N TYR A 9 -1.630 6.990 -4.314 1.00 0.00 N ATOM 78 CA TYR A 9 -1.462 5.720 -3.617 1.00 0.00 C ATOM 79 C TYR A 9 -0.876 4.662 -4.546 1.00 0.00 C ATOM 80 O TYR A 9 0.225 4.159 -4.318 1.00 0.00 O ATOM 81 CB TYR A 9 -2.803 5.239 -3.059 1.00 0.00 C ATOM 82 CG TYR A 9 -3.540 6.292 -2.263 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.848 7.285 -1.580 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.927 6.292 -2.191 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.518 8.249 -0.850 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.605 7.252 -1.465 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.896 8.228 -0.796 1.00 0.00 C ATOM 88 OH TYR A 9 -5.567 9.186 -0.071 1.00 0.00 O ATOM 0 H TYR A 9 -2.535 7.436 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.768 5.877 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.434 4.912 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.632 4.369 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.769 7.304 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.485 5.528 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.966 9.014 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.684 7.238 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.532 9.030 -0.137 1.00 0.00 H new ATOM 98 N TYR A 10 -1.619 4.329 -5.596 1.00 0.00 N ATOM 99 CA TYR A 10 -1.175 3.330 -6.561 1.00 0.00 C ATOM 100 C TYR A 10 0.326 3.442 -6.810 1.00 0.00 C ATOM 101 O TYR A 10 1.008 2.439 -7.020 1.00 0.00 O ATOM 102 CB TYR A 10 -1.935 3.489 -7.878 1.00 0.00 C ATOM 103 CG TYR A 10 -3.427 3.280 -7.746 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.936 2.163 -7.095 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.326 4.199 -8.271 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.298 1.968 -6.972 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.690 4.012 -8.152 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.171 2.895 -7.502 1.00 0.00 C ATOM 109 OH TYR A 10 -7.528 2.704 -7.381 1.00 0.00 O ATOM 0 H TYR A 10 -2.532 4.736 -5.800 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.383 2.344 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.750 4.487 -8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.540 2.778 -8.604 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.256 1.435 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.953 5.075 -8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.677 1.094 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.376 4.737 -8.566 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.942 2.724 -8.269 1.00 0.00 H new ATOM 119 N ASP A 11 0.833 4.670 -6.784 1.00 0.00 N ATOM 120 CA ASP A 11 2.254 4.915 -7.005 1.00 0.00 C ATOM 121 C ASP A 11 3.054 4.662 -5.731 1.00 0.00 C ATOM 122 O ASP A 11 4.091 3.999 -5.759 1.00 0.00 O ATOM 123 CB ASP A 11 2.477 6.350 -7.486 1.00 0.00 C ATOM 124 CG ASP A 11 2.355 6.481 -8.991 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.231 6.327 -9.512 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.385 6.738 -9.648 1.00 0.00 O ATOM 0 H ASP A 11 0.282 5.511 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 11 2.601 4.224 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.752 7.008 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.466 6.685 -7.174 1.00 0.00 H new ATOM 131 N ILE A 12 2.565 5.196 -4.616 1.00 0.00 N ATOM 132 CA ILE A 12 3.235 5.028 -3.332 1.00 0.00 C ATOM 133 C ILE A 12 3.414 3.552 -2.995 1.00 0.00 C ATOM 134 O ILE A 12 4.441 3.149 -2.446 1.00 0.00 O ATOM 135 CB ILE A 12 2.452 5.711 -2.195 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.224 7.189 -2.520 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.195 5.562 -0.876 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.308 7.888 -1.540 1.00 0.00 C ATOM 0 H ILE A 12 1.708 5.748 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 12 4.214 5.499 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 12 1.481 5.225 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.186 7.702 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.802 7.272 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.629 6.050 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.311 4.504 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.178 6.025 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.191 8.932 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.333 7.400 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.738 7.837 -0.540 1.00 0.00 H new ATOM 150 N LEU A 13 2.410 2.748 -3.328 1.00 0.00 N ATOM 151 CA LEU A 13 2.458 1.314 -3.062 1.00 0.00 C ATOM 152 C LEU A 13 3.073 0.563 -4.238 1.00 0.00 C ATOM 153 O LEU A 13 3.817 -0.400 -4.052 1.00 0.00 O ATOM 154 CB LEU A 13 1.052 0.781 -2.781 1.00 0.00 C ATOM 155 CG LEU A 13 0.395 1.269 -1.489 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.068 0.856 -1.445 1.00 0.00 C ATOM 157 CD2 LEU A 13 1.140 0.730 -0.276 1.00 0.00 C ATOM 0 H LEU A 13 1.553 3.064 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 13 3.084 1.152 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.408 1.053 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.097 -0.308 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 13 0.445 2.358 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.519 1.212 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.594 1.290 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.141 -0.231 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.659 1.087 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.122 -0.360 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.173 1.076 -0.300 1.00 0.00 H new ATOM 169 N GLY A 14 2.759 1.011 -5.450 1.00 0.00 N ATOM 170 CA GLY A 14 3.291 0.370 -6.638 1.00 0.00 C ATOM 171 C GLY A 14 2.321 -0.625 -7.244 1.00 0.00 C ATOM 172 O GLY A 14 2.733 -1.594 -7.883 1.00 0.00 O ATOM 0 H GLY A 14 2.146 1.806 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.536 1.131 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.220 -0.141 -6.386 1.00 0.00 H new ATOM 176 N VAL A 15 1.029 -0.387 -7.043 1.00 0.00 N ATOM 177 CA VAL A 15 -0.002 -1.271 -7.573 1.00 0.00 C ATOM 178 C VAL A 15 -0.824 -0.571 -8.651 1.00 0.00 C ATOM 179 O VAL A 15 -0.961 0.652 -8.665 1.00 0.00 O ATOM 180 CB VAL A 15 -0.947 -1.762 -6.461 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.223 -2.723 -5.531 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.515 -0.583 -5.685 1.00 0.00 C ATOM 0 H VAL A 15 0.671 0.410 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 15 0.510 -2.129 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.777 -2.297 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.907 -3.059 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.130 -3.583 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.627 -2.216 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.181 -0.949 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.700 -0.018 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.072 0.064 -6.363 1.00 0.00 H new ATOM 192 N PRO A 16 -1.385 -1.365 -9.575 1.00 0.00 N ATOM 193 CA PRO A 16 -2.204 -0.843 -10.674 1.00 0.00 C ATOM 194 C PRO A 16 -3.542 -0.296 -10.190 1.00 0.00 C ATOM 195 O PRO A 16 -4.012 -0.644 -9.106 1.00 0.00 O ATOM 196 CB PRO A 16 -2.418 -2.067 -11.568 1.00 0.00 C ATOM 197 CG PRO A 16 -2.279 -3.234 -10.652 1.00 0.00 C ATOM 198 CD PRO A 16 -1.263 -2.831 -9.620 1.00 0.00 C ATOM 0 HA PRO A 16 -1.722 -0.007 -11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.401 -2.047 -12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.682 -2.104 -12.371 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.233 -3.480 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.952 -4.120 -11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.475 -3.282 -8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.257 -3.142 -9.903 1.00 0.00 H new ATOM 206 N LYS A 17 -4.153 0.562 -10.999 1.00 0.00 N ATOM 207 CA LYS A 17 -5.439 1.157 -10.655 1.00 0.00 C ATOM 208 C LYS A 17 -6.501 0.080 -10.458 1.00 0.00 C ATOM 209 O LYS A 17 -7.427 0.247 -9.664 1.00 0.00 O ATOM 210 CB LYS A 17 -5.882 2.131 -11.749 1.00 0.00 C ATOM 211 CG LYS A 17 -5.235 3.501 -11.642 1.00 0.00 C ATOM 212 CD LYS A 17 -3.745 3.438 -11.937 1.00 0.00 C ATOM 213 CE LYS A 17 -2.938 3.185 -10.673 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.617 2.566 -10.974 1.00 0.00 N ATOM 0 H LYS A 17 -3.778 0.861 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.321 1.702 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.646 1.702 -12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.965 2.246 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.716 4.187 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.392 3.902 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.549 2.646 -12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.423 4.374 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.786 4.126 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.502 2.532 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.373 1.887 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.666 2.071 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.889 3.307 -11.021 1.00 0.00 H new ATOM 228 N SER A 18 -6.360 -1.024 -11.184 1.00 0.00 N ATOM 229 CA SER A 18 -7.309 -2.127 -11.090 1.00 0.00 C ATOM 230 C SER A 18 -6.745 -3.257 -10.234 1.00 0.00 C ATOM 231 O SER A 18 -7.210 -4.394 -10.303 1.00 0.00 O ATOM 232 CB SER A 18 -7.653 -2.652 -12.485 1.00 0.00 C ATOM 233 OG SER A 18 -8.680 -1.878 -13.082 1.00 0.00 O ATOM 0 H SER A 18 -5.598 -1.179 -11.844 1.00 0.00 H new ATOM 0 HA SER A 18 -8.217 -1.753 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.764 -2.630 -13.115 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.970 -3.693 -12.417 1.00 0.00 H new ATOM 0 HG SER A 18 -8.881 -2.232 -13.973 1.00 0.00 H new ATOM 239 N ALA A 19 -5.738 -2.935 -9.428 1.00 0.00 N ATOM 240 CA ALA A 19 -5.111 -3.922 -8.557 1.00 0.00 C ATOM 241 C ALA A 19 -6.143 -4.599 -7.662 1.00 0.00 C ATOM 242 O ALA A 19 -7.043 -3.946 -7.133 1.00 0.00 O ATOM 243 CB ALA A 19 -4.026 -3.268 -7.715 1.00 0.00 C ATOM 0 H ALA A 19 -5.339 -1.999 -9.360 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.656 -4.688 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.566 -4.016 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.268 -2.838 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.466 -2.481 -7.102 1.00 0.00 H new ATOM 249 N SER A 20 -6.008 -5.911 -7.497 1.00 0.00 N ATOM 250 CA SER A 20 -6.931 -6.677 -6.669 1.00 0.00 C ATOM 251 C SER A 20 -6.511 -6.633 -5.203 1.00 0.00 C ATOM 252 O SER A 20 -5.323 -6.562 -4.889 1.00 0.00 O ATOM 253 CB SER A 20 -6.997 -8.128 -7.149 1.00 0.00 C ATOM 254 OG SER A 20 -8.232 -8.726 -6.797 1.00 0.00 O ATOM 0 H SER A 20 -5.267 -6.466 -7.926 1.00 0.00 H new ATOM 0 HA SER A 20 -7.920 -6.227 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.868 -8.163 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.176 -8.697 -6.712 1.00 0.00 H new ATOM 0 HG SER A 20 -8.250 -9.652 -7.117 1.00 0.00 H new ATOM 260 N GLU A 21 -7.495 -6.675 -4.310 1.00 0.00 N ATOM 261 CA GLU A 21 -7.228 -6.640 -2.877 1.00 0.00 C ATOM 262 C GLU A 21 -5.944 -7.394 -2.544 1.00 0.00 C ATOM 263 O GLU A 21 -5.134 -6.937 -1.738 1.00 0.00 O ATOM 264 CB GLU A 21 -8.401 -7.241 -2.101 1.00 0.00 C ATOM 265 CG GLU A 21 -8.157 -7.336 -0.605 1.00 0.00 C ATOM 266 CD GLU A 21 -9.443 -7.456 0.190 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.221 -8.395 -0.080 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.672 -6.612 1.080 1.00 0.00 O ATOM 0 H GLU A 21 -8.484 -6.733 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.104 -5.598 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.290 -6.636 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.611 -8.237 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.525 -8.199 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.610 -6.453 -0.273 1.00 0.00 H new ATOM 275 N ARG A 22 -5.765 -8.552 -3.172 1.00 0.00 N ATOM 276 CA ARG A 22 -4.582 -9.372 -2.941 1.00 0.00 C ATOM 277 C ARG A 22 -3.313 -8.614 -3.324 1.00 0.00 C ATOM 278 O ARG A 22 -2.333 -8.611 -2.579 1.00 0.00 O ATOM 279 CB ARG A 22 -4.672 -10.672 -3.741 1.00 0.00 C ATOM 280 CG ARG A 22 -3.414 -11.522 -3.668 1.00 0.00 C ATOM 281 CD ARG A 22 -3.456 -12.480 -2.487 1.00 0.00 C ATOM 282 NE ARG A 22 -2.944 -11.865 -1.265 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.784 -12.524 -0.123 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.093 -13.811 -0.047 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.313 -11.896 0.946 1.00 0.00 N ATOM 0 H ARG A 22 -6.424 -8.943 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.537 -9.610 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.516 -11.256 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.878 -10.433 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.302 -12.088 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.541 -10.875 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.482 -12.810 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.868 -13.368 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.696 -10.876 -1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.455 -14.298 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.969 -14.314 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.073 -10.906 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.191 -12.403 1.823 1.00 0.00 H new ATOM 299 N GLN A 23 -3.341 -7.974 -4.488 1.00 0.00 N ATOM 300 CA GLN A 23 -2.193 -7.214 -4.969 1.00 0.00 C ATOM 301 C GLN A 23 -1.911 -6.021 -4.062 1.00 0.00 C ATOM 302 O GLN A 23 -0.761 -5.752 -3.713 1.00 0.00 O ATOM 303 CB GLN A 23 -2.436 -6.735 -6.401 1.00 0.00 C ATOM 304 CG GLN A 23 -2.198 -7.809 -7.451 1.00 0.00 C ATOM 305 CD GLN A 23 -2.816 -7.463 -8.791 1.00 0.00 C ATOM 306 OE1 GLN A 23 -2.892 -6.294 -9.169 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.263 -8.481 -9.517 1.00 0.00 N ATOM 0 H GLN A 23 -4.145 -7.966 -5.115 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.323 -7.871 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.462 -6.377 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.784 -5.886 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.125 -7.957 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.611 -8.754 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.179 -9.434 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.690 -8.310 -10.427 1.00 0.00 H new ATOM 316 N ILE A 24 -2.967 -5.309 -3.684 1.00 0.00 N ATOM 317 CA ILE A 24 -2.833 -4.145 -2.817 1.00 0.00 C ATOM 318 C ILE A 24 -2.132 -4.509 -1.513 1.00 0.00 C ATOM 319 O ILE A 24 -1.098 -3.935 -1.169 1.00 0.00 O ATOM 320 CB ILE A 24 -4.204 -3.523 -2.494 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.791 -2.854 -3.739 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.075 -2.518 -1.358 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.303 -2.805 -3.741 1.00 0.00 C ATOM 0 H ILE A 24 -3.925 -5.518 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.231 -3.415 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.881 -4.316 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.402 -1.838 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.452 -3.391 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.052 -2.087 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.695 -3.021 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.385 -1.726 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.650 -2.318 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.700 -3.819 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.650 -2.242 -2.874 1.00 0.00 H new ATOM 335 N LYS A 25 -2.700 -5.468 -0.790 1.00 0.00 N ATOM 336 CA LYS A 25 -2.129 -5.913 0.476 1.00 0.00 C ATOM 337 C LYS A 25 -0.762 -6.553 0.261 1.00 0.00 C ATOM 338 O LYS A 25 0.124 -6.450 1.109 1.00 0.00 O ATOM 339 CB LYS A 25 -3.068 -6.909 1.160 1.00 0.00 C ATOM 340 CG LYS A 25 -3.205 -8.226 0.416 1.00 0.00 C ATOM 341 CD LYS A 25 -4.482 -8.954 0.802 1.00 0.00 C ATOM 342 CE LYS A 25 -4.395 -9.524 2.210 1.00 0.00 C ATOM 343 NZ LYS A 25 -5.741 -9.687 2.826 1.00 0.00 N ATOM 0 H LYS A 25 -3.556 -5.953 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.005 -5.040 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.702 -7.107 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.054 -6.455 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.201 -8.040 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.344 -8.859 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.327 -8.268 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.671 -9.760 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.890 -10.489 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.788 -8.866 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.639 -10.078 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.214 -8.762 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.312 -10.335 2.247 1.00 0.00 H new ATOM 357 N LYS A 26 -0.596 -7.214 -0.880 1.00 0.00 N ATOM 358 CA LYS A 26 0.665 -7.869 -1.209 1.00 0.00 C ATOM 359 C LYS A 26 1.791 -6.849 -1.337 1.00 0.00 C ATOM 360 O LYS A 26 2.841 -6.987 -0.710 1.00 0.00 O ATOM 361 CB LYS A 26 0.528 -8.660 -2.512 1.00 0.00 C ATOM 362 CG LYS A 26 -0.004 -10.069 -2.316 1.00 0.00 C ATOM 363 CD LYS A 26 1.118 -11.056 -2.046 1.00 0.00 C ATOM 364 CE LYS A 26 0.630 -12.494 -2.139 1.00 0.00 C ATOM 365 NZ LYS A 26 0.314 -12.882 -3.541 1.00 0.00 N ATOM 0 H LYS A 26 -1.319 -7.310 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 26 0.911 -8.555 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.137 -8.120 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.502 -8.713 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.708 -10.081 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.555 -10.378 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.924 -10.897 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.533 -10.875 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.393 -13.163 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.258 -12.617 -1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.249 -13.918 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.594 -12.459 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.065 -12.540 -4.174 1.00 0.00 H new ATOM 379 N ALA A 27 1.565 -5.823 -2.151 1.00 0.00 N ATOM 380 CA ALA A 27 2.559 -4.778 -2.358 1.00 0.00 C ATOM 381 C ALA A 27 2.794 -3.982 -1.079 1.00 0.00 C ATOM 382 O ALA A 27 3.934 -3.700 -0.711 1.00 0.00 O ATOM 383 CB ALA A 27 2.125 -3.852 -3.485 1.00 0.00 C ATOM 0 H ALA A 27 0.701 -5.694 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 27 3.499 -5.256 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.877 -3.076 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.015 -4.426 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.171 -3.390 -3.229 1.00 0.00 H new ATOM 389 N PHE A 28 1.707 -3.622 -0.404 1.00 0.00 N ATOM 390 CA PHE A 28 1.795 -2.857 0.835 1.00 0.00 C ATOM 391 C PHE A 28 2.605 -3.612 1.884 1.00 0.00 C ATOM 392 O PHE A 28 3.668 -3.158 2.309 1.00 0.00 O ATOM 393 CB PHE A 28 0.394 -2.557 1.374 1.00 0.00 C ATOM 394 CG PHE A 28 0.401 -1.843 2.695 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.214 -0.738 2.896 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.404 -2.275 3.736 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.222 -0.078 4.110 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.400 -1.619 4.952 1.00 0.00 C ATOM 399 CZ PHE A 28 0.415 -0.520 5.140 1.00 0.00 C ATOM 0 H PHE A 28 0.755 -3.848 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 28 2.302 -1.917 0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.145 -1.951 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.155 -3.493 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.848 -0.389 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.042 -3.135 3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.859 0.783 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.034 -1.965 5.755 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.421 -0.007 6.091 1.00 0.00 H new ATOM 409 N HIS A 29 2.095 -4.768 2.299 1.00 0.00 N ATOM 410 CA HIS A 29 2.771 -5.587 3.299 1.00 0.00 C ATOM 411 C HIS A 29 4.284 -5.531 3.114 1.00 0.00 C ATOM 412 O HIS A 29 5.004 -4.999 3.959 1.00 0.00 O ATOM 413 CB HIS A 29 2.288 -7.035 3.214 1.00 0.00 C ATOM 414 CG HIS A 29 0.994 -7.277 3.928 1.00 0.00 C ATOM 415 ND1 HIS A 29 -0.181 -6.606 3.884 1.00 0.00 N flip ATOM 416 CD2 HIS A 29 0.806 -8.318 4.814 1.00 0.00 C flip ATOM 417 CE1 HIS A 29 -1.048 -7.247 4.735 1.00 0.00 C flip ATOM 418 NE2 HIS A 29 -0.428 -8.277 5.283 1.00 0.00 N flip ATOM 0 H HIS A 29 1.216 -5.158 1.958 1.00 0.00 H new ATOM 0 HA HIS A 29 2.528 -5.188 4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.172 -7.310 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.052 -7.690 3.632 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.385 -5.779 3.323 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.552 -9.052 5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.071 -6.956 4.925 1.00 0.00 H new ATOM 426 N LYS A 30 4.760 -6.085 2.004 1.00 0.00 N ATOM 427 CA LYS A 30 6.188 -6.098 1.707 1.00 0.00 C ATOM 428 C LYS A 30 6.818 -4.741 2.003 1.00 0.00 C ATOM 429 O LYS A 30 7.822 -4.653 2.711 1.00 0.00 O ATOM 430 CB LYS A 30 6.421 -6.472 0.241 1.00 0.00 C ATOM 431 CG LYS A 30 6.146 -7.934 -0.064 1.00 0.00 C ATOM 432 CD LYS A 30 6.417 -8.259 -1.524 1.00 0.00 C ATOM 433 CE LYS A 30 5.450 -7.533 -2.445 1.00 0.00 C ATOM 434 NZ LYS A 30 5.574 -7.995 -3.856 1.00 0.00 N ATOM 0 H LYS A 30 4.178 -6.531 1.295 1.00 0.00 H new ATOM 0 HA LYS A 30 6.660 -6.844 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.784 -5.852 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.453 -6.242 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.769 -8.563 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.109 -8.168 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.440 -7.980 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.332 -9.334 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.429 -7.694 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.638 -6.460 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.898 -7.476 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.541 -7.819 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.370 -9.013 -3.907 1.00 0.00 H new ATOM 448 N LEU A 31 6.223 -3.686 1.458 1.00 0.00 N ATOM 449 CA LEU A 31 6.725 -2.332 1.665 1.00 0.00 C ATOM 450 C LEU A 31 6.817 -2.007 3.152 1.00 0.00 C ATOM 451 O LEU A 31 7.902 -1.766 3.680 1.00 0.00 O ATOM 452 CB LEU A 31 5.820 -1.318 0.964 1.00 0.00 C ATOM 453 CG LEU A 31 5.976 -1.215 -0.554 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.792 -0.481 -1.164 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.280 -0.517 -0.909 1.00 0.00 C ATOM 0 H LEU A 31 5.392 -3.742 0.869 1.00 0.00 H new ATOM 0 HA LEU A 31 7.726 -2.273 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.783 -1.572 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.007 -0.335 1.396 1.00 0.00 H new ATOM 0 HG LEU A 31 6.003 -2.223 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.921 -0.417 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.873 -1.023 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.732 0.524 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.375 -0.452 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.283 0.487 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.118 -1.085 -0.505 1.00 0.00 H new ATOM 467 N ALA A 32 5.670 -2.004 3.824 1.00 0.00 N ATOM 468 CA ALA A 32 5.620 -1.713 5.251 1.00 0.00 C ATOM 469 C ALA A 32 6.856 -2.252 5.964 1.00 0.00 C ATOM 470 O ALA A 32 7.353 -1.642 6.910 1.00 0.00 O ATOM 471 CB ALA A 32 4.357 -2.297 5.866 1.00 0.00 C ATOM 0 H ALA A 32 4.762 -2.200 3.402 1.00 0.00 H new ATOM 0 HA ALA A 32 5.603 -0.630 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.334 -2.072 6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.482 -1.861 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.349 -3.378 5.723 1.00 0.00 H new ATOM 477 N MET A 33 7.345 -3.399 5.504 1.00 0.00 N ATOM 478 CA MET A 33 8.523 -4.019 6.099 1.00 0.00 C ATOM 479 C MET A 33 9.773 -3.191 5.821 1.00 0.00 C ATOM 480 O MET A 33 10.567 -2.923 6.723 1.00 0.00 O ATOM 481 CB MET A 33 8.707 -5.438 5.558 1.00 0.00 C ATOM 482 CG MET A 33 7.462 -6.302 5.682 1.00 0.00 C ATOM 483 SD MET A 33 6.791 -6.317 7.355 1.00 0.00 S ATOM 484 CE MET A 33 5.051 -6.580 7.020 1.00 0.00 C ATOM 0 H MET A 33 6.944 -3.917 4.722 1.00 0.00 H new ATOM 0 HA MET A 33 8.372 -4.065 7.178 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.998 -5.383 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.527 -5.918 6.092 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.701 -5.937 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.701 -7.322 5.381 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.500 -6.613 7.960 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.671 -5.764 6.406 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.921 -7.524 6.490 1.00 0.00 H new ATOM 494 N LYS A 34 9.943 -2.787 4.566 1.00 0.00 N ATOM 495 CA LYS A 34 11.096 -1.988 4.168 1.00 0.00 C ATOM 496 C LYS A 34 11.082 -0.630 4.862 1.00 0.00 C ATOM 497 O LYS A 34 12.127 -0.112 5.256 1.00 0.00 O ATOM 498 CB LYS A 34 11.110 -1.797 2.650 1.00 0.00 C ATOM 499 CG LYS A 34 12.280 -0.965 2.153 1.00 0.00 C ATOM 500 CD LYS A 34 11.931 0.513 2.102 1.00 0.00 C ATOM 501 CE LYS A 34 13.017 1.319 1.407 1.00 0.00 C ATOM 502 NZ LYS A 34 14.255 1.407 2.231 1.00 0.00 N ATOM 0 H LYS A 34 9.296 -3.000 3.807 1.00 0.00 H new ATOM 0 HA LYS A 34 11.998 -2.521 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.140 -2.775 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.179 -1.320 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.138 -1.115 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.574 -1.305 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.985 0.647 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.789 0.889 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.252 0.860 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.647 2.323 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.971 1.964 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.037 1.868 3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.622 0.450 2.409 1.00 0.00 H new ATOM 516 N TYR A 35 9.892 -0.058 5.009 1.00 0.00 N ATOM 517 CA TYR A 35 9.742 1.241 5.654 1.00 0.00 C ATOM 518 C TYR A 35 9.195 1.086 7.070 1.00 0.00 C ATOM 519 O TYR A 35 8.801 2.064 7.706 1.00 0.00 O ATOM 520 CB TYR A 35 8.815 2.138 4.832 1.00 0.00 C ATOM 521 CG TYR A 35 9.426 2.610 3.532 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.381 3.619 3.517 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.047 2.049 2.319 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.941 4.055 2.332 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.603 2.477 1.129 1.00 0.00 C ATOM 526 CZ TYR A 35 10.550 3.480 1.141 1.00 0.00 C ATOM 527 OH TYR A 35 11.105 3.911 -0.043 1.00 0.00 O ATOM 0 H TYR A 35 9.017 -0.474 4.690 1.00 0.00 H new ATOM 0 HA TYR A 35 10.727 1.705 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.895 1.594 4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.539 3.006 5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.691 4.070 4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.305 1.265 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.681 4.842 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.298 2.029 0.195 1.00 0.00 H new ATOM 0 HH TYR A 35 10.722 3.403 -0.788 1.00 0.00 H new ATOM 537 N HIS A 36 9.174 -0.151 7.557 1.00 0.00 N ATOM 538 CA HIS A 36 8.676 -0.436 8.898 1.00 0.00 C ATOM 539 C HIS A 36 9.400 0.415 9.938 1.00 0.00 C ATOM 540 O HIS A 36 10.629 0.472 9.983 1.00 0.00 O ATOM 541 CB HIS A 36 8.851 -1.919 9.225 1.00 0.00 C ATOM 542 CG HIS A 36 7.809 -2.452 10.160 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.629 -1.971 11.440 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.889 -3.431 9.995 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.644 -2.631 12.022 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.177 -3.523 11.166 1.00 0.00 N ATOM 0 H HIS A 36 9.496 -0.971 7.043 1.00 0.00 H new ATOM 0 HA HIS A 36 7.615 -0.188 8.926 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.824 -2.493 8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.836 -2.072 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.742 -4.029 9.108 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.282 -2.469 13.027 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.412 -4.174 11.346 1.00 0.00 H new ATOM 554 N PRO A 37 8.621 1.094 10.794 1.00 0.00 N ATOM 555 CA PRO A 37 9.166 1.954 11.848 1.00 0.00 C ATOM 556 C PRO A 37 9.850 1.155 12.952 1.00 0.00 C ATOM 557 O PRO A 37 10.502 1.723 13.829 1.00 0.00 O ATOM 558 CB PRO A 37 7.929 2.671 12.396 1.00 0.00 C ATOM 559 CG PRO A 37 6.794 1.755 12.091 1.00 0.00 C ATOM 560 CD PRO A 37 7.148 1.073 10.798 1.00 0.00 C ATOM 0 HA PRO A 37 9.933 2.628 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.017 2.849 13.468 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.792 3.643 11.922 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.654 1.027 12.890 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.860 2.309 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.760 0.055 10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.736 1.602 9.939 1.00 0.00 H new ATOM 568 N ASP A 38 9.699 -0.164 12.902 1.00 0.00 N ATOM 569 CA ASP A 38 10.305 -1.041 13.897 1.00 0.00 C ATOM 570 C ASP A 38 11.626 -1.609 13.389 1.00 0.00 C ATOM 571 O ASP A 38 12.500 -1.975 14.175 1.00 0.00 O ATOM 572 CB ASP A 38 9.349 -2.181 14.253 1.00 0.00 C ATOM 573 CG ASP A 38 8.247 -1.739 15.195 1.00 0.00 C ATOM 574 OD1 ASP A 38 8.482 -0.802 15.986 1.00 0.00 O ATOM 575 OD2 ASP A 38 7.149 -2.331 15.142 1.00 0.00 O ATOM 0 H ASP A 38 9.162 -0.649 12.183 1.00 0.00 H new ATOM 0 HA ASP A 38 10.504 -0.451 14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.905 -2.578 13.340 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.912 -2.993 14.713 1.00 0.00 H new ATOM 580 N LYS A 39 11.766 -1.679 12.070 1.00 0.00 N ATOM 581 CA LYS A 39 12.980 -2.202 11.455 1.00 0.00 C ATOM 582 C LYS A 39 13.902 -1.067 11.020 1.00 0.00 C ATOM 583 O LYS A 39 15.094 -1.073 11.324 1.00 0.00 O ATOM 584 CB LYS A 39 12.630 -3.079 10.250 1.00 0.00 C ATOM 585 CG LYS A 39 11.514 -4.072 10.525 1.00 0.00 C ATOM 586 CD LYS A 39 12.027 -5.297 11.264 1.00 0.00 C ATOM 587 CE LYS A 39 11.954 -5.110 12.771 1.00 0.00 C ATOM 588 NZ LYS A 39 10.646 -5.562 13.323 1.00 0.00 N ATOM 0 H LYS A 39 11.053 -1.380 11.405 1.00 0.00 H new ATOM 0 HA LYS A 39 13.501 -2.807 12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.338 -2.439 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.521 -3.624 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.734 -3.590 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.058 -4.378 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.440 -6.169 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.058 -5.495 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.761 -5.668 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.107 -4.059 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.636 -5.418 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.877 -5.012 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.511 -6.572 13.113 1.00 0.00 H new ATOM 602 N ASN A 40 13.341 -0.095 10.308 1.00 0.00 N ATOM 603 CA ASN A 40 14.113 1.047 9.833 1.00 0.00 C ATOM 604 C ASN A 40 14.448 1.994 10.982 1.00 0.00 C ATOM 605 O ASN A 40 13.582 2.712 11.482 1.00 0.00 O ATOM 606 CB ASN A 40 13.337 1.798 8.749 1.00 0.00 C ATOM 607 CG ASN A 40 13.661 1.298 7.355 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.042 0.142 7.171 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.510 2.168 6.363 1.00 0.00 N ATOM 0 H ASN A 40 12.355 -0.076 10.047 1.00 0.00 H new ATOM 0 HA ASN A 40 15.045 0.673 9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.268 1.691 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.566 2.862 8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.712 1.887 5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.192 3.117 6.561 1.00 0.00 H new ATOM 616 N LYS A 41 15.711 1.989 11.396 1.00 0.00 N ATOM 617 CA LYS A 41 16.163 2.848 12.484 1.00 0.00 C ATOM 618 C LYS A 41 16.471 4.253 11.977 1.00 0.00 C ATOM 619 O LYS A 41 17.536 4.803 12.254 1.00 0.00 O ATOM 620 CB LYS A 41 17.405 2.251 13.150 1.00 0.00 C ATOM 621 CG LYS A 41 17.144 0.929 13.850 1.00 0.00 C ATOM 622 CD LYS A 41 18.411 0.366 14.471 1.00 0.00 C ATOM 623 CE LYS A 41 18.723 1.033 15.802 1.00 0.00 C ATOM 624 NZ LYS A 41 19.515 2.282 15.625 1.00 0.00 N ATOM 0 H LYS A 41 16.440 1.399 10.994 1.00 0.00 H new ATOM 0 HA LYS A 41 15.360 2.914 13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.178 2.106 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.797 2.965 13.874 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.390 1.069 14.624 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.738 0.212 13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.299 -0.708 14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.247 0.508 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.792 1.264 16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.276 0.339 16.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.400 2.212 16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.736 2.413 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.963 3.094 15.967 1.00 0.00 H new ATOM 638 N SER A 42 15.530 4.828 11.234 1.00 0.00 N ATOM 639 CA SER A 42 15.703 6.169 10.686 1.00 0.00 C ATOM 640 C SER A 42 14.436 6.999 10.874 1.00 0.00 C ATOM 641 O SER A 42 13.325 6.475 10.945 1.00 0.00 O ATOM 642 CB SER A 42 16.061 6.093 9.201 1.00 0.00 C ATOM 643 OG SER A 42 17.464 6.014 9.019 1.00 0.00 O ATOM 0 H SER A 42 14.641 4.387 10.998 1.00 0.00 H new ATOM 0 HA SER A 42 16.518 6.654 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.583 5.222 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.673 6.971 8.685 1.00 0.00 H new ATOM 0 HG SER A 42 17.667 5.965 8.062 1.00 0.00 H new ATOM 649 N PRO A 43 14.608 8.327 10.957 1.00 0.00 N ATOM 650 CA PRO A 43 13.491 9.259 11.137 1.00 0.00 C ATOM 651 C PRO A 43 12.607 9.352 9.898 1.00 0.00 C ATOM 652 O PRO A 43 11.387 9.474 10.002 1.00 0.00 O ATOM 653 CB PRO A 43 14.185 10.598 11.400 1.00 0.00 C ATOM 654 CG PRO A 43 15.518 10.467 10.748 1.00 0.00 C ATOM 655 CD PRO A 43 15.905 9.020 10.880 1.00 0.00 C ATOM 0 HA PRO A 43 12.823 8.944 11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.618 11.428 10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.284 10.790 12.468 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.470 10.764 9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.253 11.113 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.492 8.681 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.508 8.845 11.771 1.00 0.00 H new ATOM 663 N ASP A 44 13.231 9.292 8.726 1.00 0.00 N ATOM 664 CA ASP A 44 12.501 9.367 7.466 1.00 0.00 C ATOM 665 C ASP A 44 11.588 8.157 7.294 1.00 0.00 C ATOM 666 O ASP A 44 10.456 8.282 6.827 1.00 0.00 O ATOM 667 CB ASP A 44 13.476 9.457 6.292 1.00 0.00 C ATOM 668 CG ASP A 44 14.679 8.552 6.468 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.646 8.973 7.137 1.00 0.00 O ATOM 670 OD2 ASP A 44 14.654 7.422 5.937 1.00 0.00 O ATOM 0 H ASP A 44 14.241 9.192 8.623 1.00 0.00 H new ATOM 0 HA ASP A 44 11.884 10.265 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.957 9.191 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.813 10.488 6.182 1.00 0.00 H new ATOM 675 N ALA A 45 12.088 6.986 7.674 1.00 0.00 N ATOM 676 CA ALA A 45 11.317 5.754 7.563 1.00 0.00 C ATOM 677 C ALA A 45 9.910 5.934 8.123 1.00 0.00 C ATOM 678 O ALA A 45 8.922 5.666 7.440 1.00 0.00 O ATOM 679 CB ALA A 45 12.032 4.618 8.280 1.00 0.00 C ATOM 0 H ALA A 45 13.024 6.865 8.061 1.00 0.00 H new ATOM 0 HA ALA A 45 11.229 5.503 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.445 3.704 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.014 4.465 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.150 4.870 9.334 1.00 0.00 H new ATOM 685 N GLU A 46 9.828 6.388 9.369 1.00 0.00 N ATOM 686 CA GLU A 46 8.541 6.602 10.021 1.00 0.00 C ATOM 687 C GLU A 46 7.586 7.358 9.102 1.00 0.00 C ATOM 688 O GLU A 46 6.449 6.937 8.889 1.00 0.00 O ATOM 689 CB GLU A 46 8.728 7.374 11.328 1.00 0.00 C ATOM 690 CG GLU A 46 7.596 7.171 12.322 1.00 0.00 C ATOM 691 CD GLU A 46 7.999 7.515 13.743 1.00 0.00 C ATOM 692 OE1 GLU A 46 7.980 8.713 14.092 1.00 0.00 O ATOM 693 OE2 GLU A 46 8.334 6.584 14.505 1.00 0.00 O ATOM 0 H GLU A 46 10.637 6.615 9.947 1.00 0.00 H new ATOM 0 HA GLU A 46 8.108 5.627 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.666 7.067 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.817 8.437 11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.746 7.788 12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.265 6.133 12.283 1.00 0.00 H new ATOM 700 N ALA A 47 8.056 8.478 8.562 1.00 0.00 N ATOM 701 CA ALA A 47 7.245 9.293 7.666 1.00 0.00 C ATOM 702 C ALA A 47 6.822 8.500 6.434 1.00 0.00 C ATOM 703 O ALA A 47 5.650 8.496 6.058 1.00 0.00 O ATOM 704 CB ALA A 47 8.008 10.543 7.254 1.00 0.00 C ATOM 0 H ALA A 47 8.994 8.841 8.730 1.00 0.00 H new ATOM 0 HA ALA A 47 6.344 9.590 8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.390 11.142 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.255 11.127 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.926 10.256 6.741 1.00 0.00 H new ATOM 710 N LYS A 48 7.784 7.829 5.809 1.00 0.00 N ATOM 711 CA LYS A 48 7.512 7.031 4.620 1.00 0.00 C ATOM 712 C LYS A 48 6.282 6.152 4.824 1.00 0.00 C ATOM 713 O LYS A 48 5.305 6.251 4.081 1.00 0.00 O ATOM 714 CB LYS A 48 8.723 6.161 4.276 1.00 0.00 C ATOM 715 CG LYS A 48 9.856 6.928 3.617 1.00 0.00 C ATOM 716 CD LYS A 48 9.716 6.938 2.104 1.00 0.00 C ATOM 717 CE LYS A 48 8.618 7.889 1.652 1.00 0.00 C ATOM 718 NZ LYS A 48 8.805 8.319 0.239 1.00 0.00 N ATOM 0 H LYS A 48 8.760 7.822 6.107 1.00 0.00 H new ATOM 0 HA LYS A 48 7.316 7.713 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.094 5.693 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.405 5.357 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.868 7.952 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.810 6.478 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.663 7.233 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.494 5.931 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.649 7.402 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.607 8.765 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.037 8.966 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.719 8.806 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.790 7.485 -0.382 1.00 0.00 H new ATOM 732 N PHE A 49 6.336 5.292 5.836 1.00 0.00 N ATOM 733 CA PHE A 49 5.226 4.396 6.138 1.00 0.00 C ATOM 734 C PHE A 49 3.916 5.169 6.244 1.00 0.00 C ATOM 735 O PHE A 49 2.862 4.685 5.831 1.00 0.00 O ATOM 736 CB PHE A 49 5.493 3.642 7.443 1.00 0.00 C ATOM 737 CG PHE A 49 4.359 2.751 7.862 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.152 1.531 7.239 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.500 3.133 8.880 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.109 0.709 7.623 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.455 2.315 9.268 1.00 0.00 C ATOM 742 CZ PHE A 49 2.260 1.101 8.639 1.00 0.00 C ATOM 0 H PHE A 49 7.137 5.197 6.461 1.00 0.00 H new ATOM 0 HA PHE A 49 5.139 3.678 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.394 3.040 7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.690 4.363 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.813 1.219 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.648 4.081 9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.958 -0.239 7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.792 2.625 10.062 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.445 0.460 8.941 1.00 0.00 H new ATOM 752 N ARG A 50 3.990 6.375 6.799 1.00 0.00 N ATOM 753 CA ARG A 50 2.809 7.215 6.961 1.00 0.00 C ATOM 754 C ARG A 50 2.076 7.383 5.633 1.00 0.00 C ATOM 755 O ARG A 50 0.871 7.633 5.607 1.00 0.00 O ATOM 756 CB ARG A 50 3.205 8.585 7.514 1.00 0.00 C ATOM 757 CG ARG A 50 2.046 9.352 8.129 1.00 0.00 C ATOM 758 CD ARG A 50 1.791 8.919 9.564 1.00 0.00 C ATOM 759 NE ARG A 50 0.444 9.267 10.010 1.00 0.00 N ATOM 760 CZ ARG A 50 -0.657 8.696 9.534 1.00 0.00 C ATOM 761 NH1 ARG A 50 -0.572 7.756 8.604 1.00 0.00 N ATOM 762 NH2 ARG A 50 -1.847 9.066 9.990 1.00 0.00 N ATOM 0 H ARG A 50 4.855 6.792 7.144 1.00 0.00 H new ATOM 0 HA ARG A 50 2.138 6.725 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.982 8.453 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.638 9.181 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.260 10.420 8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.146 9.193 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.934 7.842 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.523 9.390 10.220 1.00 0.00 H new ATOM 0 HE ARG A 50 0.344 9.987 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.341 7.469 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.419 7.320 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.916 9.789 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.692 8.627 9.624 1.00 0.00 H new ATOM 776 N GLU A 51 2.811 7.244 4.535 1.00 0.00 N ATOM 777 CA GLU A 51 2.229 7.381 3.205 1.00 0.00 C ATOM 778 C GLU A 51 1.885 6.016 2.617 1.00 0.00 C ATOM 779 O GLU A 51 0.970 5.891 1.803 1.00 0.00 O ATOM 780 CB GLU A 51 3.195 8.120 2.275 1.00 0.00 C ATOM 781 CG GLU A 51 3.058 9.632 2.333 1.00 0.00 C ATOM 782 CD GLU A 51 1.612 10.088 2.319 1.00 0.00 C ATOM 783 OE1 GLU A 51 0.877 9.698 1.388 1.00 0.00 O ATOM 784 OE2 GLU A 51 1.215 10.835 3.237 1.00 0.00 O ATOM 0 H GLU A 51 3.810 7.037 4.540 1.00 0.00 H new ATOM 0 HA GLU A 51 1.310 7.959 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.217 7.846 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.026 7.787 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.543 10.003 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.582 10.073 1.485 1.00 0.00 H new ATOM 791 N ILE A 52 2.626 4.995 3.035 1.00 0.00 N ATOM 792 CA ILE A 52 2.400 3.639 2.551 1.00 0.00 C ATOM 793 C ILE A 52 1.108 3.061 3.119 1.00 0.00 C ATOM 794 O ILE A 52 0.324 2.441 2.401 1.00 0.00 O ATOM 795 CB ILE A 52 3.570 2.707 2.918 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.907 3.395 2.633 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.467 1.399 2.149 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.095 2.463 2.711 1.00 0.00 C ATOM 0 H ILE A 52 3.388 5.081 3.708 1.00 0.00 H new ATOM 0 HA ILE A 52 2.322 3.701 1.466 1.00 0.00 H new ATOM 0 HB ILE A 52 3.517 2.484 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.871 3.843 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.047 4.209 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.301 0.751 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.528 0.904 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.498 1.603 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.008 3.019 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.156 2.034 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.978 1.663 1.980 1.00 0.00 H new ATOM 810 N ALA A 53 0.891 3.270 4.414 1.00 0.00 N ATOM 811 CA ALA A 53 -0.308 2.774 5.078 1.00 0.00 C ATOM 812 C ALA A 53 -1.566 3.383 4.467 1.00 0.00 C ATOM 813 O ALA A 53 -2.357 2.688 3.832 1.00 0.00 O ATOM 814 CB ALA A 53 -0.246 3.069 6.569 1.00 0.00 C ATOM 0 H ALA A 53 1.530 3.780 5.024 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.353 1.694 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.148 2.693 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.627 2.580 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.173 4.145 6.724 1.00 0.00 H new ATOM 820 N GLU A 54 -1.743 4.686 4.666 1.00 0.00 N ATOM 821 CA GLU A 54 -2.907 5.387 4.136 1.00 0.00 C ATOM 822 C GLU A 54 -3.262 4.876 2.743 1.00 0.00 C ATOM 823 O GLU A 54 -4.422 4.583 2.455 1.00 0.00 O ATOM 824 CB GLU A 54 -2.643 6.893 4.087 1.00 0.00 C ATOM 825 CG GLU A 54 -3.802 7.696 3.520 1.00 0.00 C ATOM 826 CD GLU A 54 -3.788 9.142 3.974 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.690 9.737 4.026 1.00 0.00 O ATOM 828 OE2 GLU A 54 -4.873 9.680 4.279 1.00 0.00 O ATOM 0 H GLU A 54 -1.096 5.276 5.189 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.750 5.194 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.424 7.248 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.754 7.078 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.765 7.661 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.742 7.233 3.822 1.00 0.00 H new ATOM 835 N ALA A 55 -2.254 4.772 1.883 1.00 0.00 N ATOM 836 CA ALA A 55 -2.459 4.295 0.520 1.00 0.00 C ATOM 837 C ALA A 55 -3.140 2.930 0.513 1.00 0.00 C ATOM 838 O ALA A 55 -4.015 2.666 -0.311 1.00 0.00 O ATOM 839 CB ALA A 55 -1.132 4.229 -0.221 1.00 0.00 C ATOM 0 H ALA A 55 -1.288 5.011 2.105 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.113 5.001 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.300 3.871 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.685 5.222 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.459 3.546 0.298 1.00 0.00 H new ATOM 845 N TYR A 56 -2.731 2.066 1.435 1.00 0.00 N ATOM 846 CA TYR A 56 -3.299 0.726 1.533 1.00 0.00 C ATOM 847 C TYR A 56 -4.697 0.771 2.142 1.00 0.00 C ATOM 848 O TYR A 56 -5.631 0.159 1.624 1.00 0.00 O ATOM 849 CB TYR A 56 -2.393 -0.175 2.373 1.00 0.00 C ATOM 850 CG TYR A 56 -3.032 -1.492 2.751 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.201 -2.500 1.810 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.467 -1.729 4.049 1.00 0.00 C ATOM 853 CE1 TYR A 56 -3.784 -3.705 2.150 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.050 -2.931 4.399 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.207 -3.916 3.446 1.00 0.00 C ATOM 856 OH TYR A 56 -4.789 -5.115 3.790 1.00 0.00 O ATOM 0 H TYR A 56 -2.008 2.269 2.125 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.374 0.316 0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.475 -0.372 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.109 0.355 3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.871 -2.338 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.347 -0.960 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.908 -4.478 1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.381 -3.099 5.413 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.029 -5.101 4.740 1.00 0.00 H new ATOM 866 N GLU A 57 -4.832 1.500 3.245 1.00 0.00 N ATOM 867 CA GLU A 57 -6.116 1.625 3.926 1.00 0.00 C ATOM 868 C GLU A 57 -7.220 1.995 2.940 1.00 0.00 C ATOM 869 O GLU A 57 -8.283 1.373 2.917 1.00 0.00 O ATOM 870 CB GLU A 57 -6.031 2.677 5.033 1.00 0.00 C ATOM 871 CG GLU A 57 -5.100 2.291 6.170 1.00 0.00 C ATOM 872 CD GLU A 57 -5.243 3.200 7.376 1.00 0.00 C ATOM 873 OE1 GLU A 57 -4.813 4.369 7.290 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.783 2.742 8.404 1.00 0.00 O ATOM 0 H GLU A 57 -4.069 2.013 3.686 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.358 0.660 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.693 3.619 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.029 2.850 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.304 1.263 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.069 2.322 5.817 1.00 0.00 H new ATOM 881 N THR A 58 -6.962 3.014 2.127 1.00 0.00 N ATOM 882 CA THR A 58 -7.933 3.470 1.140 1.00 0.00 C ATOM 883 C THR A 58 -8.196 2.397 0.090 1.00 0.00 C ATOM 884 O THR A 58 -9.340 2.001 -0.135 1.00 0.00 O ATOM 885 CB THR A 58 -7.458 4.755 0.436 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.132 5.755 1.409 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.531 5.286 -0.503 1.00 0.00 C ATOM 0 H THR A 58 -6.088 3.540 2.132 1.00 0.00 H new ATOM 0 HA THR A 58 -8.856 3.680 1.680 1.00 0.00 H new ATOM 0 HB THR A 58 -6.571 4.515 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.283 5.526 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.173 6.194 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.757 4.535 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.433 5.511 0.066 1.00 0.00 H new ATOM 895 N LEU A 59 -7.130 1.928 -0.549 1.00 0.00 N ATOM 896 CA LEU A 59 -7.245 0.898 -1.576 1.00 0.00 C ATOM 897 C LEU A 59 -7.633 -0.443 -0.961 1.00 0.00 C ATOM 898 O LEU A 59 -7.932 -1.400 -1.674 1.00 0.00 O ATOM 899 CB LEU A 59 -5.926 0.760 -2.338 1.00 0.00 C ATOM 900 CG LEU A 59 -5.412 2.026 -3.026 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.015 1.801 -3.582 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.366 2.456 -4.131 1.00 0.00 C ATOM 0 H LEU A 59 -6.176 2.244 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.029 1.199 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.162 0.413 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.045 -0.017 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.361 2.825 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.666 2.712 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.337 1.541 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.039 0.989 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.985 3.358 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.449 1.660 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.349 2.659 -3.705 1.00 0.00 H new ATOM 914 N SER A 60 -7.628 -0.503 0.367 1.00 0.00 N ATOM 915 CA SER A 60 -7.978 -1.726 1.078 1.00 0.00 C ATOM 916 C SER A 60 -9.492 -1.868 1.204 1.00 0.00 C ATOM 917 O SER A 60 -10.068 -2.877 0.799 1.00 0.00 O ATOM 918 CB SER A 60 -7.336 -1.736 2.466 1.00 0.00 C ATOM 919 OG SER A 60 -6.034 -2.294 2.423 1.00 0.00 O ATOM 0 H SER A 60 -7.385 0.282 0.972 1.00 0.00 H new ATOM 0 HA SER A 60 -7.598 -2.571 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.286 -0.719 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.958 -2.309 3.153 1.00 0.00 H new ATOM 0 HG SER A 60 -5.816 -2.684 3.295 1.00 0.00 H new ATOM 925 N ASP A 61 -10.130 -0.848 1.768 1.00 0.00 N ATOM 926 CA ASP A 61 -11.577 -0.856 1.948 1.00 0.00 C ATOM 927 C ASP A 61 -12.292 -0.838 0.600 1.00 0.00 C ATOM 928 O ASP A 61 -11.656 -0.739 -0.449 1.00 0.00 O ATOM 929 CB ASP A 61 -12.015 0.345 2.787 1.00 0.00 C ATOM 930 CG ASP A 61 -12.036 0.037 4.272 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.073 -0.590 4.762 1.00 0.00 O ATOM 932 OD2 ASP A 61 -13.015 0.423 4.943 1.00 0.00 O ATOM 0 H ASP A 61 -9.668 -0.005 2.108 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.848 -1.773 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.339 1.180 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.009 0.663 2.471 1.00 0.00 H new ATOM 937 N ALA A 62 -13.616 -0.935 0.637 1.00 0.00 N ATOM 938 CA ALA A 62 -14.418 -0.929 -0.580 1.00 0.00 C ATOM 939 C ALA A 62 -14.778 0.494 -0.993 1.00 0.00 C ATOM 940 O ALA A 62 -14.267 1.010 -1.987 1.00 0.00 O ATOM 941 CB ALA A 62 -15.678 -1.760 -0.387 1.00 0.00 C ATOM 0 H ALA A 62 -14.157 -1.019 1.498 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.824 -1.372 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.267 -1.746 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.403 -2.787 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.268 -1.343 0.429 1.00 0.00 H new ATOM 947 N ASN A 63 -15.661 1.122 -0.225 1.00 0.00 N ATOM 948 CA ASN A 63 -16.090 2.486 -0.512 1.00 0.00 C ATOM 949 C ASN A 63 -14.889 3.416 -0.656 1.00 0.00 C ATOM 950 O ASN A 63 -14.910 4.355 -1.452 1.00 0.00 O ATOM 951 CB ASN A 63 -17.015 2.996 0.595 1.00 0.00 C ATOM 952 CG ASN A 63 -18.081 1.985 0.970 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.853 1.104 1.798 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.254 2.109 0.359 1.00 0.00 N ATOM 0 H ASN A 63 -16.094 0.709 0.601 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.635 2.477 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.422 3.239 1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.493 3.920 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -20.010 1.458 0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.398 2.855 -0.321 1.00 0.00 H new ATOM 961 N ARG A 64 -13.844 3.147 0.119 1.00 0.00 N ATOM 962 CA ARG A 64 -12.634 3.959 0.078 1.00 0.00 C ATOM 963 C ARG A 64 -11.881 3.748 -1.232 1.00 0.00 C ATOM 964 O ARG A 64 -11.566 4.704 -1.940 1.00 0.00 O ATOM 965 CB ARG A 64 -11.726 3.620 1.262 1.00 0.00 C ATOM 966 CG ARG A 64 -12.367 3.880 2.615 1.00 0.00 C ATOM 967 CD ARG A 64 -11.322 3.988 3.715 1.00 0.00 C ATOM 968 NE ARG A 64 -11.793 4.788 4.842 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.272 4.718 6.062 1.00 0.00 C ATOM 970 NH1 ARG A 64 -10.267 3.890 6.311 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.756 5.478 7.036 1.00 0.00 N ATOM 0 H ARG A 64 -13.811 2.373 0.783 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.928 5.007 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.440 2.570 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.809 4.205 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.949 4.801 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.063 3.074 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.059 2.989 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.414 4.433 3.309 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.564 5.436 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.892 3.305 5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.869 3.838 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.529 6.117 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.355 5.423 7.972 1.00 0.00 H new ATOM 985 N ARG A 65 -11.594 2.489 -1.547 1.00 0.00 N ATOM 986 CA ARG A 65 -10.877 2.152 -2.770 1.00 0.00 C ATOM 987 C ARG A 65 -11.696 2.525 -4.002 1.00 0.00 C ATOM 988 O ARG A 65 -11.144 2.842 -5.056 1.00 0.00 O ATOM 989 CB ARG A 65 -10.546 0.658 -2.798 1.00 0.00 C ATOM 990 CG ARG A 65 -9.735 0.237 -4.012 1.00 0.00 C ATOM 991 CD ARG A 65 -10.634 -0.177 -5.167 1.00 0.00 C ATOM 992 NE ARG A 65 -9.892 -0.867 -6.218 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.471 -1.528 -7.214 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.793 -1.588 -7.294 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.728 -2.131 -8.133 1.00 0.00 N ATOM 0 H ARG A 65 -11.847 1.686 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.949 2.724 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.993 0.400 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.475 0.088 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.094 1.061 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.080 -0.592 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.425 -0.828 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.117 0.706 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.873 -0.840 -6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.368 -1.126 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.235 -2.096 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.711 -2.087 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.174 -2.638 -8.897 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.017 2.486 -3.862 1.00 0.00 N ATOM 1010 CA LYS A 66 -13.914 2.820 -4.961 1.00 0.00 C ATOM 1011 C LYS A 66 -13.996 4.331 -5.156 1.00 0.00 C ATOM 1012 O LYS A 66 -13.673 4.846 -6.226 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.311 2.253 -4.698 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.122 2.024 -5.961 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.391 1.238 -5.674 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.552 2.161 -5.336 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.776 1.398 -4.965 1.00 0.00 N ATOM 0 H LYS A 66 -13.490 2.226 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.513 2.374 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.216 1.309 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.855 2.937 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.381 2.984 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.517 1.486 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.648 0.630 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.216 0.552 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.268 2.815 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.768 2.801 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.545 2.062 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.062 0.792 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.577 0.806 -4.133 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.428 5.035 -4.114 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.551 6.487 -4.173 1.00 0.00 C ATOM 1033 C GLU A 67 -13.254 7.124 -4.662 1.00 0.00 C ATOM 1034 O GLU A 67 -13.269 8.169 -5.312 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.919 7.045 -2.796 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.303 6.635 -2.323 1.00 0.00 C ATOM 1037 CD GLU A 67 -17.366 7.660 -2.671 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.774 7.713 -3.850 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.788 8.408 -1.765 1.00 0.00 O ATOM 0 H GLU A 67 -14.698 4.624 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.344 6.731 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.181 6.708 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.863 8.133 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.567 5.677 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.285 6.488 -1.243 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.132 6.486 -4.345 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.826 6.991 -4.749 1.00 0.00 C ATOM 1048 C TYR A 68 -10.577 6.732 -6.232 1.00 0.00 C ATOM 1049 O TYR A 68 -9.768 7.411 -6.865 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.723 6.338 -3.914 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.330 6.787 -4.293 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.671 6.228 -5.381 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.673 7.771 -3.565 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.397 6.634 -5.731 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.401 8.185 -3.908 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.767 7.613 -4.991 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.499 8.022 -5.337 1.00 0.00 O ATOM 0 H TYR A 68 -12.102 5.618 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.812 8.068 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.894 6.563 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.789 5.255 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.163 5.463 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.166 8.220 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.898 6.188 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.906 8.952 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.334 8.917 -4.974 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.278 5.746 -6.779 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.135 5.397 -8.188 1.00 0.00 C ATOM 1069 C ASP A 69 -12.203 6.089 -9.030 1.00 0.00 C ATOM 1070 O ASP A 69 -12.008 6.335 -10.221 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.227 3.881 -8.372 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.471 3.399 -9.595 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.869 3.767 -10.720 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.483 2.654 -9.427 1.00 0.00 O ATOM 0 H ASP A 69 -11.951 5.174 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.155 5.737 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.831 3.386 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.274 3.591 -8.458 1.00 0.00 H new ATOM 1079 N THR A 70 -13.333 6.401 -8.404 1.00 0.00 N ATOM 1080 CA THR A 70 -14.433 7.062 -9.095 1.00 0.00 C ATOM 1081 C THR A 70 -14.241 8.574 -9.113 1.00 0.00 C ATOM 1082 O THR A 70 -14.554 9.239 -10.101 1.00 0.00 O ATOM 1083 CB THR A 70 -15.787 6.736 -8.437 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.857 7.071 -9.328 1.00 0.00 O ATOM 1085 CG2 THR A 70 -15.951 7.497 -7.130 1.00 0.00 C ATOM 0 H THR A 70 -13.511 6.206 -7.419 1.00 0.00 H new ATOM 0 HA THR A 70 -14.435 6.686 -10.118 1.00 0.00 H new ATOM 0 HB THR A 70 -15.814 5.668 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.715 6.860 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.915 7.251 -6.684 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.151 7.218 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.905 8.568 -7.325 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.723 9.113 -8.014 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.487 10.549 -7.904 1.00 0.00 C ATOM 1095 C LEU A 71 -12.076 10.906 -8.360 1.00 0.00 C ATOM 1096 O LEU A 71 -11.868 11.910 -9.039 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.702 11.011 -6.462 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.964 10.493 -5.771 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.853 10.657 -4.263 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.195 11.214 -6.299 1.00 0.00 C ATOM 0 H LEU A 71 -13.459 8.578 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.198 11.060 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.838 10.706 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.727 12.101 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.067 9.431 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.760 10.283 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.994 10.094 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.725 11.712 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.084 10.833 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.101 12.283 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.284 11.044 -7.372 1.00 0.00 H new ATOM 1112 N GLY A 72 -11.110 10.074 -7.983 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.731 10.318 -8.364 1.00 0.00 C ATOM 1114 C GLY A 72 -8.825 10.520 -7.166 1.00 0.00 C ATOM 1115 O GLY A 72 -9.238 10.311 -6.024 1.00 0.00 O ATOM 0 H GLY A 72 -11.258 9.236 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.366 9.477 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.685 11.200 -9.003 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.585 10.925 -7.424 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.618 11.153 -6.357 1.00 0.00 C ATOM 1121 C HIS A 73 -6.743 12.570 -5.803 1.00 0.00 C ATOM 1122 O HIS A 73 -6.695 12.780 -4.591 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.197 10.918 -6.869 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.134 11.423 -5.942 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.629 10.677 -4.898 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.480 12.608 -5.907 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -2.711 11.382 -4.261 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.601 12.557 -4.854 1.00 0.00 N ATOM 0 H HIS A 73 -7.227 11.102 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.829 10.447 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.050 9.850 -7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.084 11.405 -7.838 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.623 13.439 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.146 11.053 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.966 13.305 -4.575 1.00 0.00 H new ATOM 1136 N SER A 74 -6.904 13.538 -6.700 1.00 0.00 N ATOM 1137 CA SER A 74 -7.032 14.935 -6.302 1.00 0.00 C ATOM 1138 C SER A 74 -8.466 15.254 -5.891 1.00 0.00 C ATOM 1139 O SER A 74 -8.703 16.085 -5.015 1.00 0.00 O ATOM 1140 CB SER A 74 -6.600 15.855 -7.445 1.00 0.00 C ATOM 1141 OG SER A 74 -6.198 17.122 -6.956 1.00 0.00 O ATOM 0 H SER A 74 -6.949 13.380 -7.707 1.00 0.00 H new ATOM 0 HA SER A 74 -6.381 15.103 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.778 15.396 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.424 15.978 -8.148 1.00 0.00 H new ATOM 0 HG SER A 74 -5.925 17.691 -7.706 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.420 14.587 -6.532 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.832 14.796 -6.234 1.00 0.00 C ATOM 1149 C ALA A 75 -11.204 14.189 -4.886 1.00 0.00 C ATOM 1150 O ALA A 75 -11.675 14.887 -3.988 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.698 14.208 -7.337 1.00 0.00 C ATOM 0 H ALA A 75 -9.241 13.897 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.011 15.870 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.749 14.372 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.459 14.692 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.507 13.138 -7.418 1.00 0.00 H new ATOM 1157 N PHE A 76 -10.990 12.884 -4.751 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.305 12.182 -3.512 1.00 0.00 C ATOM 1159 C PHE A 76 -10.623 12.848 -2.321 1.00 0.00 C ATOM 1160 O PHE A 76 -11.107 12.775 -1.191 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.875 10.717 -3.607 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.968 9.978 -2.303 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.941 10.049 -1.376 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.084 9.213 -2.004 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.024 9.371 -0.175 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.173 8.533 -0.804 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.141 8.611 0.111 1.00 0.00 C ATOM 0 H PHE A 76 -10.600 12.292 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.384 12.227 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.496 10.212 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.848 10.671 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.065 10.641 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.893 9.147 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.216 9.435 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.049 7.941 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.208 8.079 1.048 1.00 0.00 H new ATOM 1177 N THR A 77 -9.493 13.498 -2.581 1.00 0.00 N ATOM 1178 CA THR A 77 -8.741 14.176 -1.532 1.00 0.00 C ATOM 1179 C THR A 77 -9.193 15.624 -1.380 1.00 0.00 C ATOM 1180 O THR A 77 -8.375 16.544 -1.393 1.00 0.00 O ATOM 1181 CB THR A 77 -7.228 14.149 -1.818 1.00 0.00 C ATOM 1182 OG1 THR A 77 -6.963 14.716 -3.106 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.692 12.727 -1.765 1.00 0.00 C ATOM 0 H THR A 77 -9.078 13.569 -3.510 1.00 0.00 H new ATOM 0 HA THR A 77 -8.937 13.638 -0.604 1.00 0.00 H new ATOM 0 HB THR A 77 -6.725 14.738 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.140 14.048 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.622 12.734 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.869 12.308 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.201 12.118 -2.512 1.00 0.00 H new ATOM 1191 N SER A 78 -10.500 15.820 -1.237 1.00 0.00 N ATOM 1192 CA SER A 78 -11.060 17.157 -1.085 1.00 0.00 C ATOM 1193 C SER A 78 -11.504 17.401 0.354 1.00 0.00 C ATOM 1194 O SER A 78 -12.677 17.242 0.690 1.00 0.00 O ATOM 1195 CB SER A 78 -12.245 17.347 -2.035 1.00 0.00 C ATOM 1196 OG SER A 78 -12.861 18.608 -1.835 1.00 0.00 O ATOM 0 H SER A 78 -11.191 15.069 -1.223 1.00 0.00 H new ATOM 0 HA SER A 78 -10.283 17.880 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.905 17.264 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.974 16.553 -1.875 1.00 0.00 H new ATOM 0 HG SER A 78 -13.614 18.706 -2.454 1.00 0.00 H new ATOM 1202 N GLY A 79 -10.555 17.788 1.202 1.00 0.00 N ATOM 1203 CA GLY A 79 -10.866 18.047 2.595 1.00 0.00 C ATOM 1204 C GLY A 79 -9.813 17.497 3.537 1.00 0.00 C ATOM 1205 O GLY A 79 -9.145 18.253 4.243 1.00 0.00 O ATOM 0 H GLY A 79 -9.577 17.927 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.961 19.122 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.832 17.604 2.837 1.00 0.00 H new ATOM 1209 N LYS A 80 -9.664 16.177 3.549 1.00 0.00 N ATOM 1210 CA LYS A 80 -8.685 15.525 4.411 1.00 0.00 C ATOM 1211 C LYS A 80 -7.619 14.814 3.583 1.00 0.00 C ATOM 1212 O LYS A 80 -7.707 13.610 3.343 1.00 0.00 O ATOM 1213 CB LYS A 80 -9.377 14.525 5.339 1.00 0.00 C ATOM 1214 CG LYS A 80 -8.510 14.071 6.500 1.00 0.00 C ATOM 1215 CD LYS A 80 -9.012 12.766 7.095 1.00 0.00 C ATOM 1216 CE LYS A 80 -8.390 11.562 6.404 1.00 0.00 C ATOM 1217 NZ LYS A 80 -6.905 11.564 6.519 1.00 0.00 N ATOM 0 H LYS A 80 -10.209 15.537 2.971 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.200 16.293 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.288 14.977 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.679 13.653 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.482 13.945 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.499 14.842 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.779 12.737 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.097 12.718 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.787 10.646 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.673 11.561 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.554 10.585 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.496 12.091 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.627 12.018 7.412 1.00 0.00 H new ATOM 1231 N GLY A 81 -6.612 15.566 3.150 1.00 0.00 N ATOM 1232 CA GLY A 81 -5.544 14.989 2.354 1.00 0.00 C ATOM 1233 C GLY A 81 -4.172 15.443 2.811 1.00 0.00 C ATOM 1234 O GLY A 81 -4.013 15.929 3.930 1.00 0.00 O ATOM 0 H GLY A 81 -6.516 16.564 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.601 13.902 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.685 15.263 1.309 1.00 0.00 H new ATOM 1238 N GLN A 82 -3.178 15.283 1.942 1.00 0.00 N ATOM 1239 CA GLN A 82 -1.812 15.678 2.264 1.00 0.00 C ATOM 1240 C GLN A 82 -0.993 15.889 0.995 1.00 0.00 C ATOM 1241 O GLN A 82 -1.291 15.312 -0.051 1.00 0.00 O ATOM 1242 CB GLN A 82 -1.146 14.619 3.145 1.00 0.00 C ATOM 1243 CG GLN A 82 -0.092 15.184 4.083 1.00 0.00 C ATOM 1244 CD GLN A 82 0.826 14.114 4.640 1.00 0.00 C ATOM 1245 OE1 GLN A 82 1.655 13.554 3.922 1.00 0.00 O ATOM 1246 NE2 GLN A 82 0.683 13.823 5.928 1.00 0.00 N ATOM 0 H GLN A 82 -3.293 14.883 1.011 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.852 16.621 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.912 14.114 3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.686 13.864 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.502 15.926 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.584 15.701 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.017 14.312 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.273 13.111 6.359 1.00 0.00 H new ATOM 1255 N SER A 83 0.040 16.720 1.094 1.00 0.00 N ATOM 1256 CA SER A 83 0.899 17.011 -0.047 1.00 0.00 C ATOM 1257 C SER A 83 2.071 16.035 -0.107 1.00 0.00 C ATOM 1258 O SER A 83 2.349 15.445 -1.150 1.00 0.00 O ATOM 1259 CB SER A 83 1.421 18.447 0.032 1.00 0.00 C ATOM 1260 OG SER A 83 0.478 19.362 -0.498 1.00 0.00 O ATOM 0 H SER A 83 0.302 17.203 1.953 1.00 0.00 H new ATOM 0 HA SER A 83 0.306 16.897 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.637 18.702 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.359 18.527 -0.518 1.00 0.00 H new ATOM 0 HG SER A 83 0.834 20.273 -0.434 1.00 0.00 H new ATOM 1266 N GLY A 84 2.755 15.871 1.021 1.00 0.00 N ATOM 1267 CA GLY A 84 3.889 14.967 1.076 1.00 0.00 C ATOM 1268 C GLY A 84 4.983 15.348 0.099 1.00 0.00 C ATOM 1269 O GLY A 84 5.112 14.767 -0.979 1.00 0.00 O ATOM 0 H GLY A 84 2.544 16.348 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.296 14.961 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.552 13.953 0.862 1.00 0.00 H new ATOM 1273 N PRO A 85 5.794 16.348 0.474 1.00 0.00 N ATOM 1274 CA PRO A 85 6.897 16.829 -0.364 1.00 0.00 C ATOM 1275 C PRO A 85 8.031 15.816 -0.468 1.00 0.00 C ATOM 1276 O PRO A 85 8.129 14.894 0.341 1.00 0.00 O ATOM 1277 CB PRO A 85 7.371 18.090 0.363 1.00 0.00 C ATOM 1278 CG PRO A 85 6.975 17.879 1.784 1.00 0.00 C ATOM 1279 CD PRO A 85 5.699 17.085 1.745 1.00 0.00 C ATOM 0 HA PRO A 85 6.580 17.006 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.449 18.221 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.904 18.984 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.751 17.343 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.827 18.831 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.620 16.409 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.822 17.732 1.770 1.00 0.00 H new ATOM 1287 N SER A 86 8.888 15.994 -1.469 1.00 0.00 N ATOM 1288 CA SER A 86 10.015 15.092 -1.680 1.00 0.00 C ATOM 1289 C SER A 86 11.189 15.830 -2.316 1.00 0.00 C ATOM 1290 O SER A 86 11.002 16.702 -3.165 1.00 0.00 O ATOM 1291 CB SER A 86 9.596 13.917 -2.566 1.00 0.00 C ATOM 1292 OG SER A 86 10.712 13.113 -2.907 1.00 0.00 O ATOM 0 H SER A 86 8.823 16.754 -2.146 1.00 0.00 H new ATOM 0 HA SER A 86 10.331 14.711 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.853 13.312 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.123 14.292 -3.474 1.00 0.00 H new ATOM 0 HG SER A 86 10.418 12.368 -3.472 1.00 0.00 H new ATOM 1298 N SER A 87 12.399 15.474 -1.899 1.00 0.00 N ATOM 1299 CA SER A 87 13.605 16.104 -2.424 1.00 0.00 C ATOM 1300 C SER A 87 14.090 15.386 -3.679 1.00 0.00 C ATOM 1301 O SER A 87 14.040 14.160 -3.766 1.00 0.00 O ATOM 1302 CB SER A 87 14.708 16.105 -1.364 1.00 0.00 C ATOM 1303 OG SER A 87 15.725 17.038 -1.687 1.00 0.00 O ATOM 0 H SER A 87 12.571 14.752 -1.199 1.00 0.00 H new ATOM 0 HA SER A 87 13.363 17.134 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.282 16.349 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.138 15.107 -1.282 1.00 0.00 H new ATOM 0 HG SER A 87 16.417 17.021 -0.993 1.00 0.00 H new ATOM 1309 N GLY A 88 14.562 16.160 -4.652 1.00 0.00 N ATOM 1310 CA GLY A 88 15.050 15.582 -5.890 1.00 0.00 C ATOM 1311 C GLY A 88 15.791 16.588 -6.748 1.00 0.00 C ATOM 1312 O GLY A 88 15.542 17.791 -6.661 1.00 0.00 O ATOM 0 H GLY A 88 14.615 17.178 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.712 14.747 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.210 15.177 -6.454 1.00 0.00 H new TER 1316 GLY A 88