USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 794 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 60 ASN : amide:sc= -3.96! K(o=-4.7!,f=-2.1) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.695 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -3.39! K(o=-2.9!,f=-1.4) USER MOD Set 2.3: A 87 TYR OH : rot -86:sc= 0.497 USER MOD Set 3.1: A 64 ASN : amide:sc= -1.17 K(o=-1.3,f=-0.21) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.14 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0615 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.413 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.134 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.00811) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.08! C(o=-4.1!,f=-4.1!) USER MOD Single : A 32 SER OG : rot 90:sc= -0.166 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 1.18 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -150:sc= -0.775 USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= -0.0953 (180deg=-0.566) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -39:sc= -0.159 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.961 34.520 9.072 1.00 0.00 N ATOM 2 CA GLY A 1 -0.187 33.842 8.049 1.00 0.00 C ATOM 3 C GLY A 1 0.713 34.788 7.281 1.00 0.00 C ATOM 4 O GLY A 1 1.010 35.889 7.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.001 33.928 9.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.512 35.429 9.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.926 34.689 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.420 33.064 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.865 33.346 7.354 1.00 0.00 H new ATOM 8 N SER A 2 1.150 34.360 6.101 1.00 0.00 N ATOM 9 CA SER A 2 2.027 35.176 5.268 1.00 0.00 C ATOM 10 C SER A 2 1.985 34.710 3.816 1.00 0.00 C ATOM 11 O SER A 2 2.209 33.535 3.522 1.00 0.00 O ATOM 12 CB SER A 2 3.463 35.117 5.792 1.00 0.00 C ATOM 13 OG SER A 2 3.985 33.801 5.704 1.00 0.00 O ATOM 0 H SER A 2 0.911 33.453 5.700 1.00 0.00 H new ATOM 0 HA SER A 2 1.673 36.206 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.091 35.800 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.489 35.453 6.828 1.00 0.00 H new ATOM 0 HG SER A 2 3.520 33.311 4.994 1.00 0.00 H new ATOM 19 N SER A 3 1.696 35.640 2.911 1.00 0.00 N ATOM 20 CA SER A 3 1.620 35.326 1.489 1.00 0.00 C ATOM 21 C SER A 3 2.961 34.813 0.974 1.00 0.00 C ATOM 22 O SER A 3 4.019 35.208 1.462 1.00 0.00 O ATOM 23 CB SER A 3 1.194 36.562 0.694 1.00 0.00 C ATOM 24 OG SER A 3 -0.199 36.791 0.816 1.00 0.00 O ATOM 0 H SER A 3 1.511 36.617 3.137 1.00 0.00 H new ATOM 0 HA SER A 3 0.875 34.542 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.742 37.434 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.454 36.430 -0.356 1.00 0.00 H new ATOM 0 HG SER A 3 -0.446 37.587 0.301 1.00 0.00 H new ATOM 30 N GLY A 4 2.908 33.928 -0.018 1.00 0.00 N ATOM 31 CA GLY A 4 4.123 33.374 -0.584 1.00 0.00 C ATOM 32 C GLY A 4 3.904 32.011 -1.210 1.00 0.00 C ATOM 33 O GLY A 4 2.992 31.832 -2.018 1.00 0.00 O ATOM 0 H GLY A 4 2.044 33.585 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.513 34.058 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.880 33.294 0.196 1.00 0.00 H new ATOM 37 N SER A 5 4.741 31.049 -0.838 1.00 0.00 N ATOM 38 CA SER A 5 4.638 29.697 -1.374 1.00 0.00 C ATOM 39 C SER A 5 3.812 28.809 -0.448 1.00 0.00 C ATOM 40 O SER A 5 3.948 28.869 0.774 1.00 0.00 O ATOM 41 CB SER A 5 6.030 29.094 -1.569 1.00 0.00 C ATOM 42 OG SER A 5 5.947 27.751 -2.013 1.00 0.00 O ATOM 0 H SER A 5 5.498 31.180 -0.167 1.00 0.00 H new ATOM 0 HA SER A 5 4.137 29.753 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.588 29.686 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.583 29.136 -0.630 1.00 0.00 H new ATOM 0 HG SER A 5 6.850 27.389 -2.132 1.00 0.00 H new ATOM 48 N SER A 6 2.955 27.983 -1.040 1.00 0.00 N ATOM 49 CA SER A 6 2.103 27.083 -0.269 1.00 0.00 C ATOM 50 C SER A 6 2.929 25.982 0.387 1.00 0.00 C ATOM 51 O SER A 6 3.149 24.923 -0.199 1.00 0.00 O ATOM 52 CB SER A 6 1.032 26.466 -1.170 1.00 0.00 C ATOM 53 OG SER A 6 0.091 25.726 -0.411 1.00 0.00 O ATOM 0 H SER A 6 2.832 27.918 -2.050 1.00 0.00 H new ATOM 0 HA SER A 6 1.618 27.664 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.519 27.253 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.503 25.815 -1.906 1.00 0.00 H new ATOM 0 HG SER A 6 -0.584 25.343 -1.010 1.00 0.00 H new ATOM 59 N GLY A 7 3.385 26.241 1.608 1.00 0.00 N ATOM 60 CA GLY A 7 4.183 25.263 2.325 1.00 0.00 C ATOM 61 C GLY A 7 3.396 24.556 3.410 1.00 0.00 C ATOM 62 O GLY A 7 3.640 24.761 4.599 1.00 0.00 O ATOM 0 H GLY A 7 3.216 27.110 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.568 24.526 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.046 25.759 2.770 1.00 0.00 H new ATOM 66 N VAL A 8 2.445 23.720 3.002 1.00 0.00 N ATOM 67 CA VAL A 8 1.618 22.981 3.948 1.00 0.00 C ATOM 68 C VAL A 8 1.523 21.509 3.561 1.00 0.00 C ATOM 69 O VAL A 8 1.473 21.168 2.379 1.00 0.00 O ATOM 70 CB VAL A 8 0.199 23.571 4.033 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.490 23.505 2.677 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.618 22.843 5.090 1.00 0.00 C ATOM 0 H VAL A 8 2.229 23.538 2.022 1.00 0.00 H new ATOM 0 HA VAL A 8 2.098 23.067 4.923 1.00 0.00 H new ATOM 0 HB VAL A 8 0.277 24.619 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.492 23.927 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.086 24.075 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.558 22.466 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.618 23.273 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.689 21.787 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.133 22.947 6.060 1.00 0.00 H new ATOM 82 N VAL A 9 1.498 20.640 4.566 1.00 0.00 N ATOM 83 CA VAL A 9 1.407 19.203 4.331 1.00 0.00 C ATOM 84 C VAL A 9 0.033 18.669 4.719 1.00 0.00 C ATOM 85 O VAL A 9 -0.491 18.990 5.786 1.00 0.00 O ATOM 86 CB VAL A 9 2.484 18.436 5.120 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.239 16.937 5.042 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.873 18.784 4.603 1.00 0.00 C ATOM 0 H VAL A 9 1.539 20.905 5.550 1.00 0.00 H new ATOM 0 HA VAL A 9 1.567 19.046 3.264 1.00 0.00 H new ATOM 0 HB VAL A 9 2.424 18.736 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.010 16.412 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.261 16.706 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.270 16.617 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.622 18.233 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.947 18.515 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.046 19.854 4.717 1.00 0.00 H new ATOM 98 N ASP A 10 -0.546 17.851 3.846 1.00 0.00 N ATOM 99 CA ASP A 10 -1.860 17.270 4.097 1.00 0.00 C ATOM 100 C ASP A 10 -1.855 15.772 3.811 1.00 0.00 C ATOM 101 O ASP A 10 -2.019 15.332 2.673 1.00 0.00 O ATOM 102 CB ASP A 10 -2.920 17.963 3.239 1.00 0.00 C ATOM 103 CG ASP A 10 -4.289 17.950 3.888 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.356 17.849 5.131 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.296 18.040 3.154 1.00 0.00 O ATOM 0 H ASP A 10 -0.126 17.575 2.958 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.102 17.420 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.618 18.994 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.977 17.470 2.268 1.00 0.00 H new ATOM 110 N PRO A 11 -1.661 14.968 4.867 1.00 0.00 N ATOM 111 CA PRO A 11 -1.631 13.507 4.755 1.00 0.00 C ATOM 112 C PRO A 11 -3.002 12.920 4.435 1.00 0.00 C ATOM 113 O PRO A 11 -3.150 11.707 4.293 1.00 0.00 O ATOM 114 CB PRO A 11 -1.165 13.054 6.140 1.00 0.00 C ATOM 115 CG PRO A 11 -1.571 14.157 7.056 1.00 0.00 C ATOM 116 CD PRO A 11 -1.459 15.424 6.253 1.00 0.00 C ATOM 0 HA PRO A 11 -0.984 13.175 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.631 12.111 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.087 12.897 6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.590 14.011 7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.926 14.193 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.211 16.155 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.486 15.897 6.383 1.00 0.00 H new ATOM 124 N SER A 12 -4.000 13.790 4.324 1.00 0.00 N ATOM 125 CA SER A 12 -5.360 13.358 4.024 1.00 0.00 C ATOM 126 C SER A 12 -5.681 13.556 2.547 1.00 0.00 C ATOM 127 O SER A 12 -6.822 13.384 2.117 1.00 0.00 O ATOM 128 CB SER A 12 -6.364 14.129 4.884 1.00 0.00 C ATOM 129 OG SER A 12 -6.498 15.467 4.435 1.00 0.00 O ATOM 0 H SER A 12 -3.893 14.798 4.437 1.00 0.00 H new ATOM 0 HA SER A 12 -5.435 12.295 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.334 13.632 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.038 14.122 5.924 1.00 0.00 H new ATOM 0 HG SER A 12 -7.146 15.938 5.000 1.00 0.00 H new ATOM 135 N LYS A 13 -4.665 13.920 1.772 1.00 0.00 N ATOM 136 CA LYS A 13 -4.835 14.141 0.340 1.00 0.00 C ATOM 137 C LYS A 13 -4.097 13.077 -0.466 1.00 0.00 C ATOM 138 O LYS A 13 -4.259 12.983 -1.683 1.00 0.00 O ATOM 139 CB LYS A 13 -4.326 15.533 -0.046 1.00 0.00 C ATOM 140 CG LYS A 13 -4.907 16.649 0.805 1.00 0.00 C ATOM 141 CD LYS A 13 -6.312 17.016 0.360 1.00 0.00 C ATOM 142 CE LYS A 13 -7.362 16.190 1.089 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.669 16.899 1.170 1.00 0.00 N ATOM 0 H LYS A 13 -3.715 14.068 2.111 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.898 14.073 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.239 15.550 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.567 15.722 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.925 16.339 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.264 17.527 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.488 18.076 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.407 16.860 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.497 15.238 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.010 15.962 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.357 16.303 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.547 17.795 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.018 17.094 0.210 1.00 0.00 H new ATOM 157 N VAL A 14 -3.286 12.278 0.219 1.00 0.00 N ATOM 158 CA VAL A 14 -2.525 11.219 -0.434 1.00 0.00 C ATOM 159 C VAL A 14 -3.364 9.955 -0.589 1.00 0.00 C ATOM 160 O VAL A 14 -3.855 9.397 0.393 1.00 0.00 O ATOM 161 CB VAL A 14 -1.246 10.879 0.355 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.527 10.872 1.850 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.682 9.540 -0.097 1.00 0.00 C ATOM 0 H VAL A 14 -3.139 12.344 1.226 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.247 11.591 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.500 11.648 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.612 10.630 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.881 11.856 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.289 10.125 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.221 9.315 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.422 8.758 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.441 9.587 -1.159 1.00 0.00 H new ATOM 173 N LYS A 15 -3.525 9.507 -1.829 1.00 0.00 N ATOM 174 CA LYS A 15 -4.302 8.308 -2.116 1.00 0.00 C ATOM 175 C LYS A 15 -3.431 7.235 -2.760 1.00 0.00 C ATOM 176 O LYS A 15 -2.266 7.478 -3.081 1.00 0.00 O ATOM 177 CB LYS A 15 -5.478 8.645 -3.035 1.00 0.00 C ATOM 178 CG LYS A 15 -6.417 9.693 -2.464 1.00 0.00 C ATOM 179 CD LYS A 15 -7.132 10.461 -3.563 1.00 0.00 C ATOM 180 CE LYS A 15 -8.430 9.778 -3.966 1.00 0.00 C ATOM 181 NZ LYS A 15 -8.216 8.778 -5.050 1.00 0.00 N ATOM 0 H LYS A 15 -3.127 9.958 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.686 7.920 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.091 8.998 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.043 7.735 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.152 9.211 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.853 10.388 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.343 11.474 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.480 10.547 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.866 9.285 -3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.147 10.528 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.727 9.078 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.200 8.707 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.571 7.850 -4.742 1.00 0.00 H new ATOM 195 N ILE A 16 -4.001 6.049 -2.948 1.00 0.00 N ATOM 196 CA ILE A 16 -3.277 4.941 -3.556 1.00 0.00 C ATOM 197 C ILE A 16 -4.209 4.060 -4.380 1.00 0.00 C ATOM 198 O ILE A 16 -5.313 3.731 -3.946 1.00 0.00 O ATOM 199 CB ILE A 16 -2.577 4.075 -2.492 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.613 3.346 -1.635 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.670 4.933 -1.621 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.003 2.477 -0.557 1.00 0.00 C ATOM 0 H ILE A 16 -4.963 5.832 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.523 5.379 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.962 3.331 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.269 4.081 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.235 2.726 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.183 4.306 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.913 5.410 -2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.264 5.698 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.796 1.991 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.369 1.719 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.404 3.094 0.112 1.00 0.00 H new ATOM 214 N ALA A 17 -3.757 3.680 -5.570 1.00 0.00 N ATOM 215 CA ALA A 17 -4.550 2.835 -6.454 1.00 0.00 C ATOM 216 C ALA A 17 -3.670 1.820 -7.177 1.00 0.00 C ATOM 217 O ALA A 17 -2.468 2.027 -7.336 1.00 0.00 O ATOM 218 CB ALA A 17 -5.310 3.687 -7.458 1.00 0.00 C ATOM 0 H ALA A 17 -2.846 3.944 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.268 2.286 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.898 3.042 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.975 4.369 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.603 4.262 -8.056 1.00 0.00 H new ATOM 224 N GLY A 18 -4.277 0.721 -7.613 1.00 0.00 N ATOM 225 CA GLY A 18 -3.534 -0.310 -8.313 1.00 0.00 C ATOM 226 C GLY A 18 -4.011 -1.707 -7.966 1.00 0.00 C ATOM 227 O GLY A 18 -4.896 -1.894 -7.130 1.00 0.00 O ATOM 0 H GLY A 18 -5.271 0.526 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.627 -0.154 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.476 -0.220 -8.069 1.00 0.00 H new ATOM 231 N PRO A 19 -3.418 -2.717 -8.617 1.00 0.00 N ATOM 232 CA PRO A 19 -3.773 -4.122 -8.390 1.00 0.00 C ATOM 233 C PRO A 19 -3.328 -4.617 -7.018 1.00 0.00 C ATOM 234 O PRO A 19 -3.996 -5.445 -6.400 1.00 0.00 O ATOM 235 CB PRO A 19 -3.015 -4.862 -9.495 1.00 0.00 C ATOM 236 CG PRO A 19 -1.865 -3.976 -9.827 1.00 0.00 C ATOM 237 CD PRO A 19 -2.355 -2.569 -9.626 1.00 0.00 C ATOM 0 HA PRO A 19 -4.851 -4.279 -8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.675 -5.840 -9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.649 -5.030 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.011 -4.187 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.536 -4.132 -10.855 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.558 -1.912 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.738 -2.141 -10.552 1.00 0.00 H new ATOM 245 N GLY A 20 -2.197 -4.102 -6.545 1.00 0.00 N ATOM 246 CA GLY A 20 -1.685 -4.504 -5.249 1.00 0.00 C ATOM 247 C GLY A 20 -2.711 -4.345 -4.144 1.00 0.00 C ATOM 248 O GLY A 20 -2.626 -5.006 -3.108 1.00 0.00 O ATOM 0 H GLY A 20 -1.627 -3.414 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.364 -5.545 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.803 -3.909 -5.010 1.00 0.00 H new ATOM 252 N LEU A 21 -3.681 -3.465 -4.364 1.00 0.00 N ATOM 253 CA LEU A 21 -4.729 -3.219 -3.378 1.00 0.00 C ATOM 254 C LEU A 21 -6.068 -3.768 -3.858 1.00 0.00 C ATOM 255 O LEU A 21 -6.978 -3.999 -3.062 1.00 0.00 O ATOM 256 CB LEU A 21 -4.851 -1.720 -3.098 1.00 0.00 C ATOM 257 CG LEU A 21 -3.542 -0.981 -2.819 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.684 0.498 -3.141 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.118 -1.175 -1.370 1.00 0.00 C ATOM 0 H LEU A 21 -3.764 -2.910 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.455 -3.734 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.336 -1.249 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.512 -1.583 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.768 -1.399 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.742 1.007 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.940 0.618 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.472 0.931 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.184 -0.642 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.892 -0.785 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.973 -2.237 -1.172 1.00 0.00 H new ATOM 271 N GLY A 22 -6.181 -3.979 -5.166 1.00 0.00 N ATOM 272 CA GLY A 22 -7.413 -4.502 -5.729 1.00 0.00 C ATOM 273 C GLY A 22 -7.777 -5.860 -5.164 1.00 0.00 C ATOM 274 O GLY A 22 -6.958 -6.510 -4.514 1.00 0.00 O ATOM 0 H GLY A 22 -5.442 -3.797 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.225 -3.801 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.311 -4.578 -6.812 1.00 0.00 H new ATOM 278 N SER A 23 -9.010 -6.291 -5.411 1.00 0.00 N ATOM 279 CA SER A 23 -9.484 -7.579 -4.918 1.00 0.00 C ATOM 280 C SER A 23 -9.043 -8.710 -5.841 1.00 0.00 C ATOM 281 O SER A 23 -9.507 -9.843 -5.719 1.00 0.00 O ATOM 282 CB SER A 23 -11.009 -7.572 -4.793 1.00 0.00 C ATOM 283 OG SER A 23 -11.418 -7.002 -3.562 1.00 0.00 O ATOM 0 H SER A 23 -9.699 -5.767 -5.950 1.00 0.00 H new ATOM 0 HA SER A 23 -9.047 -7.746 -3.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.442 -7.009 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.388 -8.591 -4.869 1.00 0.00 H new ATOM 0 HG SER A 23 -12.396 -7.008 -3.508 1.00 0.00 H new ATOM 289 N GLY A 24 -8.141 -8.393 -6.767 1.00 0.00 N ATOM 290 CA GLY A 24 -7.653 -9.392 -7.699 1.00 0.00 C ATOM 291 C GLY A 24 -6.201 -9.755 -7.450 1.00 0.00 C ATOM 292 O GLY A 24 -5.414 -9.875 -8.388 1.00 0.00 O ATOM 0 H GLY A 24 -7.741 -7.463 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.267 -10.289 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.762 -9.019 -8.717 1.00 0.00 H new ATOM 296 N VAL A 25 -5.846 -9.930 -6.181 1.00 0.00 N ATOM 297 CA VAL A 25 -4.479 -10.282 -5.812 1.00 0.00 C ATOM 298 C VAL A 25 -4.364 -11.766 -5.485 1.00 0.00 C ATOM 299 O VAL A 25 -5.276 -12.359 -4.911 1.00 0.00 O ATOM 300 CB VAL A 25 -3.998 -9.461 -4.600 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.666 -9.991 -4.093 1.00 0.00 C ATOM 302 CG2 VAL A 25 -3.891 -7.987 -4.964 1.00 0.00 C ATOM 0 H VAL A 25 -6.485 -9.834 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.848 -10.053 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.731 -9.562 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.341 -9.400 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.779 -11.033 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.921 -9.921 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.550 -7.422 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.179 -7.864 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.868 -7.618 -5.277 1.00 0.00 H new ATOM 312 N ARG A 26 -3.233 -12.360 -5.853 1.00 0.00 N ATOM 313 CA ARG A 26 -2.997 -13.776 -5.600 1.00 0.00 C ATOM 314 C ARG A 26 -1.703 -13.980 -4.818 1.00 0.00 C ATOM 315 O ARG A 26 -0.801 -13.144 -4.862 1.00 0.00 O ATOM 316 CB ARG A 26 -2.935 -14.549 -6.920 1.00 0.00 C ATOM 317 CG ARG A 26 -4.250 -14.560 -7.682 1.00 0.00 C ATOM 318 CD ARG A 26 -4.206 -15.526 -8.855 1.00 0.00 C ATOM 319 NE ARG A 26 -5.542 -15.910 -9.298 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.794 -16.470 -10.477 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.803 -16.711 -11.324 1.00 0.00 N ATOM 322 NH2 ARG A 26 -7.037 -16.793 -10.808 1.00 0.00 N ATOM 0 H ARG A 26 -2.466 -11.883 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.826 -14.156 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.162 -14.111 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.635 -15.577 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.060 -14.841 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.470 -13.556 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.668 -15.066 -9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.649 -16.418 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.326 -15.739 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.845 -16.467 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.998 -17.141 -12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.801 -16.612 -10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.229 -17.223 -11.713 1.00 0.00 H new ATOM 336 N ALA A 27 -1.620 -15.097 -4.103 1.00 0.00 N ATOM 337 CA ALA A 27 -0.436 -15.411 -3.311 1.00 0.00 C ATOM 338 C ALA A 27 0.732 -15.810 -4.207 1.00 0.00 C ATOM 339 O ALA A 27 0.536 -16.358 -5.291 1.00 0.00 O ATOM 340 CB ALA A 27 -0.746 -16.521 -2.317 1.00 0.00 C ATOM 0 H ALA A 27 -2.358 -15.800 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.148 -14.516 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.146 -16.746 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.546 -16.199 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.061 -17.415 -2.856 1.00 0.00 H new ATOM 346 N ARG A 28 1.946 -15.533 -3.744 1.00 0.00 N ATOM 347 CA ARG A 28 3.147 -15.862 -4.505 1.00 0.00 C ATOM 348 C ARG A 28 3.115 -15.206 -5.882 1.00 0.00 C ATOM 349 O ARG A 28 3.546 -15.796 -6.872 1.00 0.00 O ATOM 350 CB ARG A 28 3.282 -17.378 -4.653 1.00 0.00 C ATOM 351 CG ARG A 28 3.405 -18.112 -3.328 1.00 0.00 C ATOM 352 CD ARG A 28 4.211 -19.394 -3.473 1.00 0.00 C ATOM 353 NE ARG A 28 3.402 -20.493 -3.993 1.00 0.00 N ATOM 354 CZ ARG A 28 2.647 -21.275 -3.228 1.00 0.00 C ATOM 355 NH1 ARG A 28 2.599 -21.079 -1.918 1.00 0.00 N ATOM 356 NH2 ARG A 28 1.938 -22.255 -3.774 1.00 0.00 N ATOM 0 H ARG A 28 2.125 -15.082 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 28 4.009 -15.479 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.415 -17.760 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.158 -17.598 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.882 -17.462 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.411 -18.347 -2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.055 -19.218 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.624 -19.674 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 28 3.417 -20.670 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.142 -20.327 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.019 -21.681 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.972 -22.409 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.359 -22.854 -3.186 1.00 0.00 H new ATOM 370 N VAL A 29 2.599 -13.982 -5.936 1.00 0.00 N ATOM 371 CA VAL A 29 2.511 -13.245 -7.192 1.00 0.00 C ATOM 372 C VAL A 29 3.012 -11.815 -7.025 1.00 0.00 C ATOM 373 O VAL A 29 2.868 -11.215 -5.959 1.00 0.00 O ATOM 374 CB VAL A 29 1.066 -13.213 -7.723 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.914 -12.144 -8.794 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.666 -14.578 -8.261 1.00 0.00 C ATOM 0 H VAL A 29 2.236 -13.480 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 29 3.143 -13.767 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 29 0.400 -12.964 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.114 -12.136 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.157 -11.169 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.590 -12.360 -9.622 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.358 -14.537 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.336 -14.859 -9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.733 -15.318 -7.463 1.00 0.00 H new ATOM 386 N LEU A 30 3.600 -11.273 -8.087 1.00 0.00 N ATOM 387 CA LEU A 30 4.123 -9.912 -8.059 1.00 0.00 C ATOM 388 C LEU A 30 2.989 -8.895 -7.980 1.00 0.00 C ATOM 389 O LEU A 30 2.208 -8.748 -8.919 1.00 0.00 O ATOM 390 CB LEU A 30 4.975 -9.647 -9.302 1.00 0.00 C ATOM 391 CG LEU A 30 5.652 -8.277 -9.372 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.935 -8.273 -8.555 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.937 -7.897 -10.817 1.00 0.00 C ATOM 0 H LEU A 30 3.726 -11.755 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 30 4.745 -9.806 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.747 -10.415 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.343 -9.763 -10.183 1.00 0.00 H new ATOM 0 HG LEU A 30 4.974 -7.536 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.403 -7.290 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.704 -8.500 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.619 -9.025 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.419 -6.920 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.596 -8.641 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.001 -7.858 -11.374 1.00 0.00 H new ATOM 405 N GLN A 31 2.908 -8.194 -6.854 1.00 0.00 N ATOM 406 CA GLN A 31 1.871 -7.189 -6.653 1.00 0.00 C ATOM 407 C GLN A 31 2.482 -5.804 -6.467 1.00 0.00 C ATOM 408 O GLN A 31 3.404 -5.625 -5.670 1.00 0.00 O ATOM 409 CB GLN A 31 1.011 -7.548 -5.440 1.00 0.00 C ATOM 410 CG GLN A 31 0.457 -8.962 -5.484 1.00 0.00 C ATOM 411 CD GLN A 31 -0.543 -9.162 -6.605 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.993 -8.202 -7.230 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.898 -10.415 -6.866 1.00 0.00 N ATOM 0 H GLN A 31 3.548 -8.303 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 31 1.242 -7.171 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.606 -7.428 -4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.182 -6.844 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.280 -9.667 -5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.020 -9.191 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.500 -11.181 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.568 -10.611 -7.609 1.00 0.00 H new ATOM 422 N SER A 32 1.964 -4.828 -7.206 1.00 0.00 N ATOM 423 CA SER A 32 2.462 -3.461 -7.125 1.00 0.00 C ATOM 424 C SER A 32 1.326 -2.457 -7.301 1.00 0.00 C ATOM 425 O SER A 32 0.336 -2.736 -7.977 1.00 0.00 O ATOM 426 CB SER A 32 3.537 -3.223 -8.187 1.00 0.00 C ATOM 427 OG SER A 32 4.073 -1.915 -8.086 1.00 0.00 O ATOM 0 H SER A 32 1.199 -4.959 -7.868 1.00 0.00 H new ATOM 0 HA SER A 32 2.900 -3.319 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.335 -3.956 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.111 -3.369 -9.180 1.00 0.00 H new ATOM 0 HG SER A 32 4.841 -1.922 -7.477 1.00 0.00 H new ATOM 433 N PHE A 33 1.477 -1.289 -6.688 1.00 0.00 N ATOM 434 CA PHE A 33 0.465 -0.242 -6.775 1.00 0.00 C ATOM 435 C PHE A 33 1.113 1.134 -6.882 1.00 0.00 C ATOM 436 O PHE A 33 2.336 1.264 -6.832 1.00 0.00 O ATOM 437 CB PHE A 33 -0.457 -0.291 -5.555 1.00 0.00 C ATOM 438 CG PHE A 33 0.281 -0.273 -4.246 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.971 -1.393 -3.809 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.284 0.863 -3.453 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.651 -1.379 -2.605 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.962 0.883 -2.249 1.00 0.00 C ATOM 443 CZ PHE A 33 1.646 -0.240 -1.824 1.00 0.00 C ATOM 0 H PHE A 33 2.291 -1.043 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.125 -0.417 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.139 0.558 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.068 -1.192 -5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.978 -2.287 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.250 1.743 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.185 -2.258 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.957 1.775 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.176 -0.227 -0.883 1.00 0.00 H new ATOM 453 N THR A 34 0.283 2.162 -7.032 1.00 0.00 N ATOM 454 CA THR A 34 0.773 3.530 -7.148 1.00 0.00 C ATOM 455 C THR A 34 0.237 4.404 -6.021 1.00 0.00 C ATOM 456 O THR A 34 -0.947 4.346 -5.686 1.00 0.00 O ATOM 457 CB THR A 34 0.379 4.155 -8.500 1.00 0.00 C ATOM 458 OG1 THR A 34 0.856 3.339 -9.575 1.00 0.00 O ATOM 459 CG2 THR A 34 0.947 5.560 -8.632 1.00 0.00 C ATOM 0 H THR A 34 -0.732 2.073 -7.076 1.00 0.00 H new ATOM 0 HA THR A 34 1.860 3.483 -7.081 1.00 0.00 H new ATOM 0 HB THR A 34 -0.708 4.214 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.600 3.742 -10.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.656 5.981 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.558 6.186 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.034 5.520 -8.567 1.00 0.00 H new ATOM 467 N VAL A 35 1.114 5.217 -5.438 1.00 0.00 N ATOM 468 CA VAL A 35 0.727 6.104 -4.349 1.00 0.00 C ATOM 469 C VAL A 35 0.816 7.566 -4.775 1.00 0.00 C ATOM 470 O VAL A 35 1.907 8.122 -4.899 1.00 0.00 O ATOM 471 CB VAL A 35 1.612 5.888 -3.108 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.140 6.762 -1.956 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.619 4.421 -2.708 1.00 0.00 C ATOM 0 H VAL A 35 2.097 5.279 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.306 5.864 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 35 2.633 6.178 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.778 6.595 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.193 7.810 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.111 6.507 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.250 4.287 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.603 4.102 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.010 3.822 -3.530 1.00 0.00 H new ATOM 483 N ASP A 36 -0.340 8.183 -4.997 1.00 0.00 N ATOM 484 CA ASP A 36 -0.395 9.581 -5.407 1.00 0.00 C ATOM 485 C ASP A 36 -0.339 10.505 -4.195 1.00 0.00 C ATOM 486 O ASP A 36 -1.328 10.671 -3.482 1.00 0.00 O ATOM 487 CB ASP A 36 -1.667 9.850 -6.210 1.00 0.00 C ATOM 488 CG ASP A 36 -1.658 11.214 -6.871 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.572 11.656 -7.304 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.735 11.839 -6.958 1.00 0.00 O ATOM 0 H ASP A 36 -1.252 7.736 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 36 0.472 9.783 -6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.780 9.080 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.532 9.775 -5.551 1.00 0.00 H new ATOM 495 N SER A 37 0.826 11.104 -3.966 1.00 0.00 N ATOM 496 CA SER A 37 1.014 12.008 -2.838 1.00 0.00 C ATOM 497 C SER A 37 1.335 13.419 -3.319 1.00 0.00 C ATOM 498 O SER A 37 1.972 14.199 -2.610 1.00 0.00 O ATOM 499 CB SER A 37 2.134 11.499 -1.929 1.00 0.00 C ATOM 500 OG SER A 37 3.362 11.420 -2.630 1.00 0.00 O ATOM 0 H SER A 37 1.654 10.979 -4.548 1.00 0.00 H new ATOM 0 HA SER A 37 0.083 12.040 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.243 12.165 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.871 10.516 -1.538 1.00 0.00 H new ATOM 0 HG SER A 37 4.062 11.093 -2.027 1.00 0.00 H new ATOM 506 N SER A 38 0.892 13.740 -4.530 1.00 0.00 N ATOM 507 CA SER A 38 1.136 15.056 -5.110 1.00 0.00 C ATOM 508 C SER A 38 0.258 16.113 -4.447 1.00 0.00 C ATOM 509 O SER A 38 0.634 17.282 -4.357 1.00 0.00 O ATOM 510 CB SER A 38 0.872 15.030 -6.617 1.00 0.00 C ATOM 511 OG SER A 38 -0.518 15.023 -6.891 1.00 0.00 O ATOM 0 H SER A 38 0.362 13.107 -5.129 1.00 0.00 H new ATOM 0 HA SER A 38 2.181 15.314 -4.936 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.334 15.899 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.337 14.147 -7.056 1.00 0.00 H new ATOM 0 HG SER A 38 -0.660 15.008 -7.861 1.00 0.00 H new ATOM 517 N LYS A 39 -0.914 15.693 -3.983 1.00 0.00 N ATOM 518 CA LYS A 39 -1.847 16.601 -3.326 1.00 0.00 C ATOM 519 C LYS A 39 -1.599 16.642 -1.822 1.00 0.00 C ATOM 520 O LYS A 39 -2.215 17.428 -1.103 1.00 0.00 O ATOM 521 CB LYS A 39 -3.289 16.171 -3.604 1.00 0.00 C ATOM 522 CG LYS A 39 -3.666 16.217 -5.074 1.00 0.00 C ATOM 523 CD LYS A 39 -4.209 17.580 -5.469 1.00 0.00 C ATOM 524 CE LYS A 39 -4.869 17.542 -6.839 1.00 0.00 C ATOM 525 NZ LYS A 39 -3.865 17.444 -7.935 1.00 0.00 N ATOM 0 H LYS A 39 -1.241 14.729 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.687 17.601 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.435 15.157 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.966 16.816 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.792 15.983 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.414 15.452 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.932 17.914 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.398 18.308 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.548 16.691 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.471 18.440 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.354 17.421 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.232 18.269 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.307 16.574 -7.818 1.00 0.00 H new ATOM 539 N ALA A 40 -0.690 15.793 -1.354 1.00 0.00 N ATOM 540 CA ALA A 40 -0.357 15.736 0.065 1.00 0.00 C ATOM 541 C ALA A 40 0.774 16.701 0.403 1.00 0.00 C ATOM 542 O ALA A 40 0.803 17.284 1.486 1.00 0.00 O ATOM 543 CB ALA A 40 0.022 14.317 0.461 1.00 0.00 C ATOM 0 H ALA A 40 -0.171 15.135 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.238 16.037 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.268 14.289 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.816 13.648 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.886 13.995 -0.120 1.00 0.00 H new ATOM 549 N GLY A 41 1.705 16.865 -0.533 1.00 0.00 N ATOM 550 CA GLY A 41 2.826 17.761 -0.313 1.00 0.00 C ATOM 551 C GLY A 41 4.153 17.128 -0.684 1.00 0.00 C ATOM 552 O GLY A 41 4.255 16.420 -1.687 1.00 0.00 O ATOM 0 H GLY A 41 1.703 16.394 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.683 18.669 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.849 18.059 0.735 1.00 0.00 H new ATOM 556 N LEU A 42 5.176 17.385 0.126 1.00 0.00 N ATOM 557 CA LEU A 42 6.504 16.837 -0.123 1.00 0.00 C ATOM 558 C LEU A 42 6.943 15.932 1.024 1.00 0.00 C ATOM 559 O LEU A 42 8.133 15.678 1.206 1.00 0.00 O ATOM 560 CB LEU A 42 7.517 17.969 -0.311 1.00 0.00 C ATOM 561 CG LEU A 42 7.557 19.023 0.795 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.495 20.086 0.558 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.369 18.374 2.159 1.00 0.00 C ATOM 0 H LEU A 42 5.110 17.969 0.960 1.00 0.00 H new ATOM 0 HA LEU A 42 6.460 16.242 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.510 17.529 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.302 18.470 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 42 8.535 19.504 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.538 20.828 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.675 20.573 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.510 19.620 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.400 19.140 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.405 17.866 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.166 17.651 2.331 1.00 0.00 H new ATOM 575 N ALA A 43 5.973 15.445 1.790 1.00 0.00 N ATOM 576 CA ALA A 43 6.259 14.564 2.917 1.00 0.00 C ATOM 577 C ALA A 43 6.517 13.137 2.445 1.00 0.00 C ATOM 578 O ALA A 43 6.004 12.695 1.417 1.00 0.00 O ATOM 579 CB ALA A 43 5.111 14.593 3.913 1.00 0.00 C ATOM 0 H ALA A 43 4.982 15.645 1.651 1.00 0.00 H new ATOM 0 HA ALA A 43 7.162 14.925 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.338 13.931 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.975 15.610 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.196 14.259 3.424 1.00 0.00 H new ATOM 585 N PRO A 44 7.332 12.398 3.211 1.00 0.00 N ATOM 586 CA PRO A 44 7.677 11.010 2.892 1.00 0.00 C ATOM 587 C PRO A 44 6.494 10.063 3.066 1.00 0.00 C ATOM 588 O PRO A 44 5.463 10.439 3.625 1.00 0.00 O ATOM 589 CB PRO A 44 8.781 10.677 3.899 1.00 0.00 C ATOM 590 CG PRO A 44 8.537 11.597 5.045 1.00 0.00 C ATOM 591 CD PRO A 44 7.979 12.861 4.451 1.00 0.00 C ATOM 0 HA PRO A 44 7.982 10.896 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.731 9.634 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.770 10.834 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.837 11.158 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.460 11.796 5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.266 13.340 5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.763 13.590 4.247 1.00 0.00 H new ATOM 599 N LEU A 45 6.650 8.835 2.584 1.00 0.00 N ATOM 600 CA LEU A 45 5.594 7.834 2.687 1.00 0.00 C ATOM 601 C LEU A 45 6.146 6.512 3.210 1.00 0.00 C ATOM 602 O LEU A 45 7.198 6.051 2.769 1.00 0.00 O ATOM 603 CB LEU A 45 4.931 7.620 1.325 1.00 0.00 C ATOM 604 CG LEU A 45 3.883 6.508 1.255 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.502 7.055 1.581 1.00 0.00 C ATOM 606 CD2 LEU A 45 3.890 5.855 -0.119 1.00 0.00 C ATOM 0 H LEU A 45 7.497 8.509 2.118 1.00 0.00 H new ATOM 0 HA LEU A 45 4.849 8.200 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.460 8.555 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.710 7.404 0.594 1.00 0.00 H new ATOM 0 HG LEU A 45 4.135 5.750 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.769 6.250 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.505 7.475 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.240 7.833 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.138 5.066 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.663 6.603 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.873 5.427 -0.313 1.00 0.00 H new ATOM 618 N GLU A 46 5.427 5.905 4.150 1.00 0.00 N ATOM 619 CA GLU A 46 5.846 4.635 4.731 1.00 0.00 C ATOM 620 C GLU A 46 4.893 3.514 4.329 1.00 0.00 C ATOM 621 O GLU A 46 3.717 3.751 4.054 1.00 0.00 O ATOM 622 CB GLU A 46 5.910 4.743 6.256 1.00 0.00 C ATOM 623 CG GLU A 46 6.838 3.726 6.899 1.00 0.00 C ATOM 624 CD GLU A 46 7.018 3.960 8.386 1.00 0.00 C ATOM 625 OE1 GLU A 46 7.434 5.074 8.766 1.00 0.00 O ATOM 626 OE2 GLU A 46 6.742 3.028 9.171 1.00 0.00 O ATOM 0 H GLU A 46 4.552 6.272 4.525 1.00 0.00 H new ATOM 0 HA GLU A 46 6.839 4.399 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.240 5.746 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.907 4.616 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.440 2.724 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.810 3.766 6.408 1.00 0.00 H new ATOM 633 N VAL A 47 5.410 2.289 4.296 1.00 0.00 N ATOM 634 CA VAL A 47 4.607 1.129 3.929 1.00 0.00 C ATOM 635 C VAL A 47 4.921 -0.063 4.825 1.00 0.00 C ATOM 636 O VAL A 47 6.085 -0.386 5.061 1.00 0.00 O ATOM 637 CB VAL A 47 4.840 0.729 2.459 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.853 -0.350 2.037 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.733 1.945 1.552 1.00 0.00 C ATOM 0 H VAL A 47 6.382 2.075 4.519 1.00 0.00 H new ATOM 0 HA VAL A 47 3.563 1.412 4.060 1.00 0.00 H new ATOM 0 HB VAL A 47 5.847 0.323 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.032 -0.620 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.984 -1.229 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.835 0.026 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.900 1.644 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.739 2.383 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.483 2.682 1.841 1.00 0.00 H new ATOM 649 N ARG A 48 3.875 -0.714 5.323 1.00 0.00 N ATOM 650 CA ARG A 48 4.039 -1.871 6.194 1.00 0.00 C ATOM 651 C ARG A 48 3.024 -2.957 5.851 1.00 0.00 C ATOM 652 O ARG A 48 1.834 -2.684 5.694 1.00 0.00 O ATOM 653 CB ARG A 48 3.884 -1.458 7.658 1.00 0.00 C ATOM 654 CG ARG A 48 5.128 -0.808 8.242 1.00 0.00 C ATOM 655 CD ARG A 48 5.040 -0.697 9.757 1.00 0.00 C ATOM 656 NE ARG A 48 4.275 0.475 10.176 1.00 0.00 N ATOM 657 CZ ARG A 48 3.789 0.635 11.402 1.00 0.00 C ATOM 658 NH1 ARG A 48 3.988 -0.297 12.324 1.00 0.00 N ATOM 659 NH2 ARG A 48 3.102 1.729 11.707 1.00 0.00 N ATOM 0 H ARG A 48 2.905 -0.460 5.138 1.00 0.00 H new ATOM 0 HA ARG A 48 5.041 -2.272 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.047 -0.765 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.632 -2.338 8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.007 -1.392 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.258 0.184 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.575 -1.597 10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.045 -0.643 10.176 1.00 0.00 H new ATOM 0 HE ARG A 48 4.105 1.210 9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.515 -1.139 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.614 -0.172 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.947 2.448 11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.729 1.851 12.649 1.00 0.00 H new ATOM 673 N VAL A 49 3.503 -4.193 5.736 1.00 0.00 N ATOM 674 CA VAL A 49 2.638 -5.321 5.412 1.00 0.00 C ATOM 675 C VAL A 49 2.617 -6.340 6.546 1.00 0.00 C ATOM 676 O VAL A 49 3.656 -6.879 6.930 1.00 0.00 O ATOM 677 CB VAL A 49 3.090 -6.021 4.116 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.190 -7.207 3.808 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.104 -5.036 2.957 1.00 0.00 C ATOM 0 H VAL A 49 4.485 -4.437 5.863 1.00 0.00 H new ATOM 0 HA VAL A 49 1.635 -4.920 5.269 1.00 0.00 H new ATOM 0 HB VAL A 49 4.104 -6.394 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.525 -7.689 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.236 -7.922 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.163 -6.862 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.426 -5.547 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.102 -4.632 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.794 -4.222 3.179 1.00 0.00 H new ATOM 689 N LEU A 50 1.428 -6.600 7.078 1.00 0.00 N ATOM 690 CA LEU A 50 1.269 -7.555 8.168 1.00 0.00 C ATOM 691 C LEU A 50 0.401 -8.733 7.738 1.00 0.00 C ATOM 692 O LEU A 50 -0.694 -8.550 7.208 1.00 0.00 O ATOM 693 CB LEU A 50 0.651 -6.870 9.388 1.00 0.00 C ATOM 694 CG LEU A 50 1.571 -5.927 10.166 1.00 0.00 C ATOM 695 CD1 LEU A 50 0.765 -4.817 10.822 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.366 -6.698 11.209 1.00 0.00 C ATOM 0 H LEU A 50 0.559 -6.162 6.772 1.00 0.00 H new ATOM 0 HA LEU A 50 2.256 -7.933 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.221 -6.305 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.293 -7.641 10.070 1.00 0.00 H new ATOM 0 HG LEU A 50 2.272 -5.474 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.436 -4.156 11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.240 -4.247 10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.040 -5.252 11.510 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.015 -6.011 11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.680 -7.179 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.973 -7.457 10.716 1.00 0.00 H new ATOM 708 N GLY A 51 0.898 -9.945 7.974 1.00 0.00 N ATOM 709 CA GLY A 51 0.153 -11.135 7.608 1.00 0.00 C ATOM 710 C GLY A 51 -1.055 -11.359 8.494 1.00 0.00 C ATOM 711 O GLY A 51 -1.281 -10.638 9.467 1.00 0.00 O ATOM 0 H GLY A 51 1.802 -10.123 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.172 -11.052 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.809 -12.003 7.668 1.00 0.00 H new ATOM 715 N PRO A 52 -1.859 -12.381 8.160 1.00 0.00 N ATOM 716 CA PRO A 52 -3.065 -12.721 8.920 1.00 0.00 C ATOM 717 C PRO A 52 -2.740 -13.298 10.294 1.00 0.00 C ATOM 718 O PRO A 52 -3.484 -13.096 11.254 1.00 0.00 O ATOM 719 CB PRO A 52 -3.750 -13.774 8.046 1.00 0.00 C ATOM 720 CG PRO A 52 -2.647 -14.383 7.252 1.00 0.00 C ATOM 721 CD PRO A 52 -1.651 -13.281 7.014 1.00 0.00 C ATOM 0 HA PRO A 52 -3.683 -11.845 9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.260 -14.522 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.502 -13.323 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.190 -15.213 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.020 -14.783 6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.630 -13.662 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.832 -12.774 6.066 1.00 0.00 H new ATOM 729 N ARG A 53 -1.625 -14.016 10.381 1.00 0.00 N ATOM 730 CA ARG A 53 -1.203 -14.623 11.637 1.00 0.00 C ATOM 731 C ARG A 53 -0.247 -13.704 12.391 1.00 0.00 C ATOM 732 O ARG A 53 -0.141 -13.771 13.614 1.00 0.00 O ATOM 733 CB ARG A 53 -0.531 -15.973 11.376 1.00 0.00 C ATOM 734 CG ARG A 53 -1.109 -16.720 10.185 1.00 0.00 C ATOM 735 CD ARG A 53 -0.246 -16.543 8.945 1.00 0.00 C ATOM 736 NE ARG A 53 -0.597 -17.495 7.894 1.00 0.00 N ATOM 737 CZ ARG A 53 -0.336 -18.796 7.964 1.00 0.00 C ATOM 738 NH1 ARG A 53 0.274 -19.297 9.029 1.00 0.00 N ATOM 739 NH2 ARG A 53 -0.686 -19.598 6.966 1.00 0.00 N ATOM 0 H ARG A 53 -0.998 -14.191 9.596 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.090 -14.779 12.252 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.535 -15.813 11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.627 -16.595 12.266 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.191 -17.780 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.118 -16.360 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.359 -15.527 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.803 -16.669 9.212 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.068 -17.142 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.544 -18.683 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.473 -20.296 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.155 -19.216 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.486 -20.597 7.020 1.00 0.00 H new ATOM 753 N GLY A 54 0.449 -12.846 11.650 1.00 0.00 N ATOM 754 CA GLY A 54 1.388 -11.926 12.265 1.00 0.00 C ATOM 755 C GLY A 54 2.740 -11.934 11.581 1.00 0.00 C ATOM 756 O GLY A 54 3.751 -11.566 12.181 1.00 0.00 O ATOM 0 H GLY A 54 0.379 -12.772 10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.976 -10.917 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.514 -12.189 13.315 1.00 0.00 H new ATOM 760 N LEU A 55 2.761 -12.357 10.321 1.00 0.00 N ATOM 761 CA LEU A 55 4.001 -12.415 9.554 1.00 0.00 C ATOM 762 C LEU A 55 4.451 -11.016 9.143 1.00 0.00 C ATOM 763 O LEU A 55 3.629 -10.126 8.927 1.00 0.00 O ATOM 764 CB LEU A 55 3.815 -13.288 8.313 1.00 0.00 C ATOM 765 CG LEU A 55 4.907 -13.182 7.247 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.171 -13.894 7.706 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.420 -13.755 5.925 1.00 0.00 C ATOM 0 H LEU A 55 1.934 -12.665 9.809 1.00 0.00 H new ATOM 0 HA LEU A 55 4.772 -12.854 10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.747 -14.328 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.860 -13.032 7.853 1.00 0.00 H new ATOM 0 HG LEU A 55 5.142 -12.128 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.937 -13.808 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.531 -13.438 8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.951 -14.947 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.210 -13.671 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.157 -14.804 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.543 -13.201 5.589 1.00 0.00 H new ATOM 779 N VAL A 56 5.763 -10.831 9.034 1.00 0.00 N ATOM 780 CA VAL A 56 6.323 -9.542 8.645 1.00 0.00 C ATOM 781 C VAL A 56 7.007 -9.627 7.286 1.00 0.00 C ATOM 782 O VAL A 56 8.030 -10.295 7.136 1.00 0.00 O ATOM 783 CB VAL A 56 7.338 -9.033 9.687 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.919 -7.695 9.257 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.685 -8.925 11.057 1.00 0.00 C ATOM 0 H VAL A 56 6.458 -11.557 9.210 1.00 0.00 H new ATOM 0 HA VAL A 56 5.491 -8.841 8.586 1.00 0.00 H new ATOM 0 HB VAL A 56 8.155 -9.751 9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.634 -7.351 10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.424 -7.809 8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.116 -6.964 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.416 -8.564 11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.849 -8.228 11.007 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.322 -9.906 11.366 1.00 0.00 H new ATOM 795 N GLU A 57 6.435 -8.947 6.298 1.00 0.00 N ATOM 796 CA GLU A 57 6.991 -8.947 4.949 1.00 0.00 C ATOM 797 C GLU A 57 7.512 -7.562 4.575 1.00 0.00 C ATOM 798 O GLU A 57 6.920 -6.537 4.913 1.00 0.00 O ATOM 799 CB GLU A 57 5.933 -9.395 3.938 1.00 0.00 C ATOM 800 CG GLU A 57 5.398 -10.794 4.198 1.00 0.00 C ATOM 801 CD GLU A 57 6.408 -11.877 3.871 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.542 -11.804 4.390 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.066 -12.794 3.098 1.00 0.00 O ATOM 0 H GLU A 57 5.588 -8.389 6.405 1.00 0.00 H new ATOM 0 HA GLU A 57 7.825 -9.648 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.103 -8.688 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.361 -9.359 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.107 -10.878 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.498 -10.951 3.603 1.00 0.00 H new ATOM 810 N PRO A 58 8.647 -7.531 3.861 1.00 0.00 N ATOM 811 CA PRO A 58 9.273 -6.279 3.426 1.00 0.00 C ATOM 812 C PRO A 58 8.461 -5.568 2.350 1.00 0.00 C ATOM 813 O PRO A 58 7.455 -6.091 1.869 1.00 0.00 O ATOM 814 CB PRO A 58 10.622 -6.734 2.864 1.00 0.00 C ATOM 815 CG PRO A 58 10.403 -8.148 2.451 1.00 0.00 C ATOM 816 CD PRO A 58 9.406 -8.714 3.424 1.00 0.00 C ATOM 0 HA PRO A 58 9.355 -5.560 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.927 -6.117 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.409 -6.658 3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.026 -8.202 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.336 -8.711 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.760 -9.454 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.898 -9.208 4.262 1.00 0.00 H new ATOM 824 N VAL A 59 8.903 -4.372 1.974 1.00 0.00 N ATOM 825 CA VAL A 59 8.217 -3.589 0.952 1.00 0.00 C ATOM 826 C VAL A 59 9.211 -2.812 0.096 1.00 0.00 C ATOM 827 O VAL A 59 10.367 -2.631 0.478 1.00 0.00 O ATOM 828 CB VAL A 59 7.215 -2.602 1.579 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.996 -3.342 2.107 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.881 -1.799 2.685 1.00 0.00 C ATOM 0 H VAL A 59 9.733 -3.924 2.362 1.00 0.00 H new ATOM 0 HA VAL A 59 7.675 -4.295 0.323 1.00 0.00 H new ATOM 0 HB VAL A 59 6.883 -1.908 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.299 -2.628 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.507 -3.869 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.307 -4.060 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.159 -1.106 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.243 -2.476 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.720 -1.238 2.273 1.00 0.00 H new ATOM 840 N ASN A 60 8.753 -2.354 -1.064 1.00 0.00 N ATOM 841 CA ASN A 60 9.602 -1.596 -1.976 1.00 0.00 C ATOM 842 C ASN A 60 9.036 -0.199 -2.212 1.00 0.00 C ATOM 843 O ASN A 60 7.821 -0.009 -2.252 1.00 0.00 O ATOM 844 CB ASN A 60 9.741 -2.333 -3.310 1.00 0.00 C ATOM 845 CG ASN A 60 10.792 -1.710 -4.208 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.991 -1.895 -4.001 1.00 0.00 O ATOM 847 ND2 ASN A 60 10.344 -0.966 -5.214 1.00 0.00 N ATOM 0 H ASN A 60 7.798 -2.494 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 60 10.586 -1.498 -1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.000 -3.375 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.780 -2.331 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.003 -0.521 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.341 -0.840 -5.348 1.00 0.00 H new ATOM 854 N VAL A 61 9.926 0.776 -2.368 1.00 0.00 N ATOM 855 CA VAL A 61 9.516 2.156 -2.601 1.00 0.00 C ATOM 856 C VAL A 61 10.290 2.771 -3.761 1.00 0.00 C ATOM 857 O VAL A 61 11.519 2.853 -3.727 1.00 0.00 O ATOM 858 CB VAL A 61 9.721 3.022 -1.344 1.00 0.00 C ATOM 859 CG1 VAL A 61 11.176 2.987 -0.903 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.268 4.451 -1.603 1.00 0.00 C ATOM 0 H VAL A 61 10.936 0.636 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 61 8.455 2.134 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 61 9.112 2.612 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.302 3.605 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.463 1.960 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.808 3.371 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.420 5.049 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.849 4.874 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.211 4.455 -1.867 1.00 0.00 H new ATOM 870 N VAL A 62 9.565 3.202 -4.788 1.00 0.00 N ATOM 871 CA VAL A 62 10.184 3.811 -5.958 1.00 0.00 C ATOM 872 C VAL A 62 9.457 5.089 -6.362 1.00 0.00 C ATOM 873 O VAL A 62 8.256 5.074 -6.627 1.00 0.00 O ATOM 874 CB VAL A 62 10.197 2.842 -7.156 1.00 0.00 C ATOM 875 CG1 VAL A 62 10.887 3.479 -8.352 1.00 0.00 C ATOM 876 CG2 VAL A 62 10.872 1.534 -6.773 1.00 0.00 C ATOM 0 H VAL A 62 8.548 3.140 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 62 11.211 4.051 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 62 9.167 2.624 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.886 2.779 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.355 4.387 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.915 3.728 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 10.873 0.860 -7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.899 1.731 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.329 1.072 -5.949 1.00 0.00 H new ATOM 886 N ASP A 63 10.195 6.194 -6.406 1.00 0.00 N ATOM 887 CA ASP A 63 9.621 7.481 -6.779 1.00 0.00 C ATOM 888 C ASP A 63 9.537 7.621 -8.295 1.00 0.00 C ATOM 889 O ASP A 63 10.527 7.435 -9.001 1.00 0.00 O ATOM 890 CB ASP A 63 10.454 8.623 -6.194 1.00 0.00 C ATOM 891 CG ASP A 63 10.044 9.977 -6.739 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.909 10.413 -6.451 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.856 10.600 -7.452 1.00 0.00 O ATOM 0 H ASP A 63 11.191 6.223 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 63 8.611 7.532 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.351 8.625 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.507 8.450 -6.414 1.00 0.00 H new ATOM 898 N ASN A 64 8.347 7.948 -8.790 1.00 0.00 N ATOM 899 CA ASN A 64 8.134 8.111 -10.223 1.00 0.00 C ATOM 900 C ASN A 64 8.801 9.385 -10.731 1.00 0.00 C ATOM 901 O ASN A 64 9.503 9.369 -11.742 1.00 0.00 O ATOM 902 CB ASN A 64 6.636 8.147 -10.535 1.00 0.00 C ATOM 903 CG ASN A 64 5.977 6.792 -10.362 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.704 6.092 -11.338 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.717 6.417 -9.115 1.00 0.00 N ATOM 0 H ASN A 64 7.516 8.105 -8.220 1.00 0.00 H new ATOM 0 HA ASN A 64 8.585 7.259 -10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.149 8.871 -9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.489 8.492 -11.559 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.273 5.516 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.961 7.030 -8.337 1.00 0.00 H new ATOM 912 N GLY A 65 8.577 10.487 -10.023 1.00 0.00 N ATOM 913 CA GLY A 65 9.164 11.754 -10.418 1.00 0.00 C ATOM 914 C GLY A 65 8.125 12.755 -10.883 1.00 0.00 C ATOM 915 O GLY A 65 8.401 13.951 -10.973 1.00 0.00 O ATOM 0 H GLY A 65 8.000 10.525 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.716 12.173 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.884 11.583 -11.219 1.00 0.00 H new ATOM 919 N ASP A 66 6.927 12.265 -11.183 1.00 0.00 N ATOM 920 CA ASP A 66 5.842 13.124 -11.642 1.00 0.00 C ATOM 921 C ASP A 66 4.944 13.537 -10.480 1.00 0.00 C ATOM 922 O ASP A 66 4.472 14.671 -10.419 1.00 0.00 O ATOM 923 CB ASP A 66 5.015 12.410 -12.713 1.00 0.00 C ATOM 924 CG ASP A 66 5.625 12.535 -14.095 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.947 13.672 -14.500 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.780 11.498 -14.772 1.00 0.00 O ATOM 0 H ASP A 66 6.683 11.277 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 66 6.283 14.023 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.923 11.355 -12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.007 12.824 -12.725 1.00 0.00 H new ATOM 931 N GLY A 67 4.713 12.606 -9.559 1.00 0.00 N ATOM 932 CA GLY A 67 3.872 12.891 -8.411 1.00 0.00 C ATOM 933 C GLY A 67 3.255 11.640 -7.819 1.00 0.00 C ATOM 934 O GLY A 67 2.128 11.668 -7.322 1.00 0.00 O ATOM 0 H GLY A 67 5.093 11.660 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.464 13.397 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.079 13.578 -8.707 1.00 0.00 H new ATOM 938 N THR A 68 3.993 10.536 -7.872 1.00 0.00 N ATOM 939 CA THR A 68 3.511 9.267 -7.340 1.00 0.00 C ATOM 940 C THR A 68 4.670 8.377 -6.903 1.00 0.00 C ATOM 941 O THR A 68 5.837 8.727 -7.086 1.00 0.00 O ATOM 942 CB THR A 68 2.659 8.510 -8.377 1.00 0.00 C ATOM 943 OG1 THR A 68 3.455 8.190 -9.523 1.00 0.00 O ATOM 944 CG2 THR A 68 1.459 9.341 -8.803 1.00 0.00 C ATOM 0 H THR A 68 4.928 10.495 -8.278 1.00 0.00 H new ATOM 0 HA THR A 68 2.892 9.502 -6.474 1.00 0.00 H new ATOM 0 HB THR A 68 2.298 7.590 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.908 7.707 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.873 8.785 -9.535 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.840 9.559 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.803 10.275 -9.247 1.00 0.00 H new ATOM 952 N HIS A 69 4.342 7.225 -6.328 1.00 0.00 N ATOM 953 CA HIS A 69 5.355 6.284 -5.867 1.00 0.00 C ATOM 954 C HIS A 69 4.882 4.844 -6.041 1.00 0.00 C ATOM 955 O HIS A 69 3.769 4.494 -5.643 1.00 0.00 O ATOM 956 CB HIS A 69 5.697 6.548 -4.400 1.00 0.00 C ATOM 957 CG HIS A 69 5.953 7.991 -4.095 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.184 8.470 -3.701 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.127 9.064 -4.127 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.105 9.774 -3.504 1.00 0.00 C ATOM 961 NE2 HIS A 69 5.866 10.159 -3.756 1.00 0.00 N ATOM 0 H HIS A 69 3.381 6.921 -6.170 1.00 0.00 H new ATOM 0 HA HIS A 69 6.250 6.428 -6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.878 6.193 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.579 5.966 -4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.081 9.059 -4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.915 10.416 -3.190 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.516 11.115 -3.686 1.00 0.00 H new ATOM 970 N THR A 70 5.730 4.015 -6.639 1.00 0.00 N ATOM 971 CA THR A 70 5.397 2.614 -6.867 1.00 0.00 C ATOM 972 C THR A 70 5.894 1.737 -5.723 1.00 0.00 C ATOM 973 O THR A 70 6.991 1.938 -5.205 1.00 0.00 O ATOM 974 CB THR A 70 5.999 2.103 -8.190 1.00 0.00 C ATOM 975 OG1 THR A 70 5.453 2.834 -9.292 1.00 0.00 O ATOM 976 CG2 THR A 70 5.721 0.618 -8.372 1.00 0.00 C ATOM 0 H THR A 70 6.653 4.289 -6.975 1.00 0.00 H new ATOM 0 HA THR A 70 4.310 2.552 -6.922 1.00 0.00 H new ATOM 0 HB THR A 70 7.078 2.254 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.842 2.504 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.155 0.279 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.164 0.061 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.644 0.449 -8.388 1.00 0.00 H new ATOM 984 N VAL A 71 5.077 0.763 -5.333 1.00 0.00 N ATOM 985 CA VAL A 71 5.434 -0.147 -4.252 1.00 0.00 C ATOM 986 C VAL A 71 5.204 -1.599 -4.656 1.00 0.00 C ATOM 987 O VAL A 71 4.063 -2.047 -4.779 1.00 0.00 O ATOM 988 CB VAL A 71 4.626 0.155 -2.975 1.00 0.00 C ATOM 989 CG1 VAL A 71 5.108 -0.710 -1.822 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.721 1.631 -2.621 1.00 0.00 C ATOM 0 H VAL A 71 4.163 0.584 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 71 6.494 0.005 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 71 3.579 -0.083 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.526 -0.483 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.983 -1.762 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.161 -0.506 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.145 1.826 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.764 1.898 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.323 2.228 -3.441 1.00 0.00 H new ATOM 1000 N THR A 72 6.295 -2.331 -4.860 1.00 0.00 N ATOM 1001 CA THR A 72 6.212 -3.732 -5.251 1.00 0.00 C ATOM 1002 C THR A 72 6.263 -4.646 -4.032 1.00 0.00 C ATOM 1003 O THR A 72 6.932 -4.343 -3.043 1.00 0.00 O ATOM 1004 CB THR A 72 7.352 -4.115 -6.213 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.615 -3.753 -5.645 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.178 -3.427 -7.559 1.00 0.00 C ATOM 0 H THR A 72 7.246 -1.976 -4.761 1.00 0.00 H new ATOM 0 HA THR A 72 5.257 -3.862 -5.761 1.00 0.00 H new ATOM 0 HB THR A 72 7.321 -5.193 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.335 -4.001 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.995 -3.713 -8.222 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.229 -3.729 -8.002 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.186 -2.346 -7.419 1.00 0.00 H new ATOM 1014 N TYR A 73 5.552 -5.766 -4.108 1.00 0.00 N ATOM 1015 CA TYR A 73 5.515 -6.724 -3.010 1.00 0.00 C ATOM 1016 C TYR A 73 4.989 -8.076 -3.484 1.00 0.00 C ATOM 1017 O TYR A 73 4.439 -8.194 -4.579 1.00 0.00 O ATOM 1018 CB TYR A 73 4.640 -6.194 -1.873 1.00 0.00 C ATOM 1019 CG TYR A 73 3.162 -6.436 -2.084 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.377 -5.513 -2.763 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.550 -7.587 -1.602 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.027 -5.728 -2.957 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.201 -7.812 -1.793 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.443 -6.879 -2.471 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.902 -7.100 -2.662 1.00 0.00 O ATOM 0 H TYR A 73 4.994 -6.032 -4.919 1.00 0.00 H new ATOM 0 HA TYR A 73 6.533 -6.859 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.947 -6.665 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.812 -5.123 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.831 -4.611 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.140 -8.318 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.432 -4.999 -3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.742 -8.713 -1.414 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.360 -6.243 -2.789 1.00 0.00 H new ATOM 1035 N THR A 74 5.162 -9.097 -2.649 1.00 0.00 N ATOM 1036 CA THR A 74 4.708 -10.440 -2.981 1.00 0.00 C ATOM 1037 C THR A 74 4.198 -11.170 -1.743 1.00 0.00 C ATOM 1038 O THR A 74 4.960 -11.527 -0.845 1.00 0.00 O ATOM 1039 CB THR A 74 5.834 -11.272 -3.624 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.363 -10.582 -4.762 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.323 -12.641 -4.047 1.00 0.00 C ATOM 0 H THR A 74 5.614 -9.018 -1.738 1.00 0.00 H new ATOM 0 HA THR A 74 3.894 -10.329 -3.697 1.00 0.00 H new ATOM 0 HB THR A 74 6.622 -11.410 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.079 -11.116 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.136 -13.209 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.948 -13.175 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.518 -12.521 -4.772 1.00 0.00 H new ATOM 1049 N PRO A 75 2.877 -11.397 -1.691 1.00 0.00 N ATOM 1050 CA PRO A 75 2.235 -12.087 -0.568 1.00 0.00 C ATOM 1051 C PRO A 75 2.591 -13.568 -0.519 1.00 0.00 C ATOM 1052 O PRO A 75 1.925 -14.398 -1.137 1.00 0.00 O ATOM 1053 CB PRO A 75 0.741 -11.905 -0.847 1.00 0.00 C ATOM 1054 CG PRO A 75 0.651 -11.718 -2.322 1.00 0.00 C ATOM 1055 CD PRO A 75 1.908 -10.998 -2.727 1.00 0.00 C ATOM 0 HA PRO A 75 2.555 -11.686 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.169 -12.774 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.341 -11.043 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.569 -12.678 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.233 -11.139 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.238 -11.295 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.764 -9.918 -2.748 1.00 0.00 H new ATOM 1063 N SER A 76 3.645 -13.894 0.222 1.00 0.00 N ATOM 1064 CA SER A 76 4.093 -15.276 0.349 1.00 0.00 C ATOM 1065 C SER A 76 2.906 -16.235 0.324 1.00 0.00 C ATOM 1066 O SER A 76 2.898 -17.209 -0.429 1.00 0.00 O ATOM 1067 CB SER A 76 4.884 -15.462 1.646 1.00 0.00 C ATOM 1068 OG SER A 76 5.452 -16.758 1.716 1.00 0.00 O ATOM 0 H SER A 76 4.205 -13.220 0.744 1.00 0.00 H new ATOM 0 HA SER A 76 4.740 -15.501 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.673 -14.712 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.228 -15.302 2.502 1.00 0.00 H new ATOM 0 HG SER A 76 5.953 -16.851 2.553 1.00 0.00 H new ATOM 1074 N GLN A 77 1.905 -15.951 1.151 1.00 0.00 N ATOM 1075 CA GLN A 77 0.713 -16.788 1.224 1.00 0.00 C ATOM 1076 C GLN A 77 -0.551 -15.945 1.105 1.00 0.00 C ATOM 1077 O GLN A 77 -0.490 -14.717 1.086 1.00 0.00 O ATOM 1078 CB GLN A 77 0.696 -17.574 2.537 1.00 0.00 C ATOM 1079 CG GLN A 77 0.796 -16.695 3.773 1.00 0.00 C ATOM 1080 CD GLN A 77 1.282 -17.456 4.991 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.592 -18.644 4.912 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.350 -16.772 6.128 1.00 0.00 N ATOM 0 H GLN A 77 1.896 -15.148 1.780 1.00 0.00 H new ATOM 0 HA GLN A 77 0.739 -17.489 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.223 -18.158 2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.524 -18.283 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.475 -15.867 3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.181 -16.261 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.083 -15.788 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.669 -17.231 6.981 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.698 -16.614 1.026 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.977 -15.926 0.907 1.00 0.00 C ATOM 1093 C GLU A 78 -3.557 -15.615 2.284 1.00 0.00 C ATOM 1094 O GLU A 78 -3.055 -16.088 3.303 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.966 -16.774 0.105 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.442 -18.015 0.842 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.439 -19.150 0.782 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -3.423 -19.875 -0.235 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.668 -19.313 1.750 1.00 0.00 O ATOM 0 H GLU A 78 -1.766 -17.632 1.042 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.807 -14.986 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.830 -16.162 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.497 -17.076 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.636 -17.762 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.387 -18.347 0.413 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.618 -14.814 2.306 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.250 -14.452 3.562 1.00 0.00 C ATOM 1108 C GLY A 79 -5.453 -12.957 3.698 1.00 0.00 C ATOM 1109 O GLY A 79 -4.986 -12.167 2.877 1.00 0.00 O ATOM 0 H GLY A 79 -5.051 -14.409 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.214 -14.955 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.637 -14.809 4.390 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.168 -12.547 4.757 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.450 -11.133 5.023 1.00 0.00 C ATOM 1115 C PRO A 80 -5.204 -10.362 5.442 1.00 0.00 C ATOM 1116 O PRO A 80 -4.878 -10.287 6.628 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.461 -11.183 6.171 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.194 -12.481 6.854 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.756 -13.433 5.776 1.00 0.00 C ATOM 0 HA PRO A 80 -6.817 -10.617 4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.329 -10.342 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.485 -11.134 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.421 -12.370 7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.088 -12.848 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.029 -14.155 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.596 -14.002 5.377 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.510 -9.791 4.465 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.297 -9.027 4.733 1.00 0.00 C ATOM 1129 C TYR A 81 -3.631 -7.582 5.093 1.00 0.00 C ATOM 1130 O TYR A 81 -4.728 -7.100 4.813 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.369 -9.060 3.518 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.389 -10.211 3.535 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.821 -11.513 3.758 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.032 -9.998 3.329 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.928 -12.567 3.776 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.867 -11.046 3.344 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.414 -12.329 3.567 1.00 0.00 C ATOM 1138 OH TYR A 81 1.306 -13.377 3.583 1.00 0.00 O ATOM 0 H TYR A 81 -4.766 -9.842 3.479 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.790 -9.486 5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.972 -9.121 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.815 -8.123 3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.872 -11.704 3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.327 -8.994 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.279 -13.573 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.919 -10.862 3.182 1.00 0.00 H new ATOM 0 HH TYR A 81 2.211 -13.039 3.418 1.00 0.00 H new ATOM 1148 N MET A 82 -2.677 -6.898 5.714 1.00 0.00 N ATOM 1149 CA MET A 82 -2.869 -5.508 6.111 1.00 0.00 C ATOM 1150 C MET A 82 -1.685 -4.650 5.674 1.00 0.00 C ATOM 1151 O MET A 82 -0.573 -4.805 6.176 1.00 0.00 O ATOM 1152 CB MET A 82 -3.052 -5.409 7.626 1.00 0.00 C ATOM 1153 CG MET A 82 -3.505 -4.036 8.095 1.00 0.00 C ATOM 1154 SD MET A 82 -4.260 -4.074 9.732 1.00 0.00 S ATOM 1155 CE MET A 82 -2.830 -3.785 10.772 1.00 0.00 C ATOM 0 H MET A 82 -1.763 -7.283 5.953 1.00 0.00 H new ATOM 0 HA MET A 82 -3.767 -5.136 5.618 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.783 -6.152 7.945 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.110 -5.658 8.115 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.649 -3.361 8.110 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.219 -3.629 7.379 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.136 -3.780 11.818 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.098 -4.576 10.612 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.385 -2.822 10.520 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.934 -3.743 4.733 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.890 -2.861 4.228 1.00 0.00 C ATOM 1167 C VAL A 83 -1.028 -1.458 4.810 1.00 0.00 C ATOM 1168 O VAL A 83 -1.792 -0.637 4.303 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.924 -2.773 2.690 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.120 -1.786 2.189 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.709 -4.147 2.074 1.00 0.00 C ATOM 0 H VAL A 83 -2.849 -3.601 4.306 1.00 0.00 H new ATOM 0 HA VAL A 83 0.063 -3.288 4.538 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.906 -2.413 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.082 -1.737 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.084 -0.799 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.111 -2.114 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.736 -4.067 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.260 -4.538 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.497 -4.823 2.408 1.00 0.00 H new ATOM 1181 N SER A 84 -0.282 -1.190 5.877 1.00 0.00 N ATOM 1182 CA SER A 84 -0.323 0.113 6.530 1.00 0.00 C ATOM 1183 C SER A 84 0.515 1.132 5.763 1.00 0.00 C ATOM 1184 O SER A 84 1.548 0.795 5.185 1.00 0.00 O ATOM 1185 CB SER A 84 0.181 0.001 7.970 1.00 0.00 C ATOM 1186 OG SER A 84 0.461 1.280 8.513 1.00 0.00 O ATOM 0 H SER A 84 0.358 -1.858 6.307 1.00 0.00 H new ATOM 0 HA SER A 84 -1.358 0.454 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.567 -0.502 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.081 -0.614 7.997 1.00 0.00 H new ATOM 0 HG SER A 84 0.780 1.182 9.434 1.00 0.00 H new ATOM 1192 N VAL A 85 0.061 2.382 5.764 1.00 0.00 N ATOM 1193 CA VAL A 85 0.768 3.451 5.070 1.00 0.00 C ATOM 1194 C VAL A 85 0.680 4.761 5.844 1.00 0.00 C ATOM 1195 O VAL A 85 -0.403 5.185 6.248 1.00 0.00 O ATOM 1196 CB VAL A 85 0.207 3.667 3.651 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.918 4.825 2.967 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.332 2.393 2.830 1.00 0.00 C ATOM 0 H VAL A 85 -0.793 2.678 6.237 1.00 0.00 H new ATOM 0 HA VAL A 85 1.812 3.145 4.997 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.851 3.918 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.509 4.963 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.772 5.736 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.984 4.607 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.069 2.563 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.382 2.109 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.227 1.592 3.314 1.00 0.00 H new ATOM 1208 N LYS A 86 1.827 5.401 6.048 1.00 0.00 N ATOM 1209 CA LYS A 86 1.880 6.665 6.773 1.00 0.00 C ATOM 1210 C LYS A 86 2.409 7.782 5.879 1.00 0.00 C ATOM 1211 O LYS A 86 2.900 7.531 4.778 1.00 0.00 O ATOM 1212 CB LYS A 86 2.765 6.528 8.014 1.00 0.00 C ATOM 1213 CG LYS A 86 2.337 7.418 9.168 1.00 0.00 C ATOM 1214 CD LYS A 86 2.989 6.992 10.473 1.00 0.00 C ATOM 1215 CE LYS A 86 2.244 7.549 11.676 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.578 6.812 12.925 1.00 0.00 N ATOM 0 H LYS A 86 2.733 5.065 5.721 1.00 0.00 H new ATOM 0 HA LYS A 86 0.867 6.920 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.755 5.489 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.794 6.767 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.602 8.452 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.253 7.382 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.013 5.904 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.023 7.335 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.491 8.603 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.170 7.492 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.050 7.222 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.319 5.811 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.599 6.888 13.110 1.00 0.00 H new ATOM 1230 N TYR A 87 2.306 9.017 6.360 1.00 0.00 N ATOM 1231 CA TYR A 87 2.774 10.173 5.604 1.00 0.00 C ATOM 1232 C TYR A 87 3.075 11.344 6.533 1.00 0.00 C ATOM 1233 O TYR A 87 2.167 11.992 7.051 1.00 0.00 O ATOM 1234 CB TYR A 87 1.729 10.586 4.567 1.00 0.00 C ATOM 1235 CG TYR A 87 2.316 11.280 3.359 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.949 10.554 2.357 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.239 12.660 3.220 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.489 11.184 1.252 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.774 13.297 2.117 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.398 12.555 1.135 1.00 0.00 C ATOM 1241 OH TYR A 87 3.934 13.187 0.037 1.00 0.00 O ATOM 0 H TYR A 87 1.903 9.243 7.269 1.00 0.00 H new ATOM 0 HA TYR A 87 3.694 9.893 5.091 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.186 9.700 4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.003 11.248 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.020 9.480 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.753 13.245 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.980 10.605 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.704 14.371 2.024 1.00 0.00 H new ATOM 0 HH TYR A 87 4.883 13.372 0.197 1.00 0.00 H new ATOM 1251 N ALA A 88 4.362 11.612 6.739 1.00 0.00 N ATOM 1252 CA ALA A 88 4.785 12.707 7.602 1.00 0.00 C ATOM 1253 C ALA A 88 4.402 12.442 9.054 1.00 0.00 C ATOM 1254 O ALA A 88 3.961 13.345 9.765 1.00 0.00 O ATOM 1255 CB ALA A 88 4.181 14.019 7.126 1.00 0.00 C ATOM 0 H ALA A 88 5.128 11.085 6.320 1.00 0.00 H new ATOM 0 HA ALA A 88 5.871 12.779 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.506 14.828 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.510 14.222 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.094 13.948 7.149 1.00 0.00 H new ATOM 1261 N ASP A 89 4.569 11.198 9.488 1.00 0.00 N ATOM 1262 CA ASP A 89 4.241 10.814 10.855 1.00 0.00 C ATOM 1263 C ASP A 89 2.746 10.969 11.119 1.00 0.00 C ATOM 1264 O ASP A 89 2.335 11.319 12.224 1.00 0.00 O ATOM 1265 CB ASP A 89 5.036 11.660 11.851 1.00 0.00 C ATOM 1266 CG ASP A 89 6.368 11.030 12.210 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.144 10.712 11.284 1.00 0.00 O ATOM 1268 OD2 ASP A 89 6.636 10.857 13.417 1.00 0.00 O ATOM 0 H ASP A 89 4.930 10.438 8.912 1.00 0.00 H new ATOM 0 HA ASP A 89 4.509 9.766 10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.208 12.650 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.447 11.799 12.757 1.00 0.00 H new ATOM 1273 N GLU A 90 1.940 10.706 10.095 1.00 0.00 N ATOM 1274 CA GLU A 90 0.491 10.818 10.216 1.00 0.00 C ATOM 1275 C GLU A 90 -0.210 9.762 9.366 1.00 0.00 C ATOM 1276 O GLU A 90 -0.272 9.877 8.143 1.00 0.00 O ATOM 1277 CB GLU A 90 0.028 12.215 9.797 1.00 0.00 C ATOM 1278 CG GLU A 90 0.503 13.318 10.728 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.348 14.570 10.629 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.567 14.444 10.393 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.208 15.678 10.789 1.00 0.00 O ATOM 0 H GLU A 90 2.265 10.414 9.173 1.00 0.00 H new ATOM 0 HA GLU A 90 0.226 10.653 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.389 12.421 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.061 12.230 9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.488 12.953 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.538 13.567 10.493 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.736 8.734 10.025 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.430 7.657 9.330 1.00 0.00 C ATOM 1290 C GLU A 91 -2.542 8.210 8.444 1.00 0.00 C ATOM 1291 O GLU A 91 -3.520 8.774 8.936 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.012 6.662 10.336 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.095 5.488 10.632 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.362 4.865 11.988 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -0.963 5.467 13.007 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.970 3.775 12.029 1.00 0.00 O ATOM 0 H GLU A 91 -0.695 8.625 11.038 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.707 7.142 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.230 7.185 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.960 6.284 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.219 4.731 9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.058 5.822 10.588 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.385 8.045 7.135 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.376 8.526 6.180 1.00 0.00 C ATOM 1305 C ILE A 92 -4.772 8.028 6.537 1.00 0.00 C ATOM 1306 O ILE A 92 -4.943 6.978 7.158 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.036 8.083 4.744 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.001 6.556 4.654 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.705 8.676 4.308 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.844 6.038 3.242 1.00 0.00 C ATOM 0 H ILE A 92 -1.581 7.582 6.711 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.358 9.615 6.229 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.812 8.450 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.178 6.183 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.920 6.154 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.479 8.354 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.764 9.764 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.917 8.336 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.827 4.948 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.681 6.381 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.911 6.411 2.819 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.796 8.796 6.136 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.196 8.451 6.401 1.00 0.00 C ATOM 1324 C PRO A 93 -7.657 7.243 5.593 1.00 0.00 C ATOM 1325 O PRO A 93 -8.829 6.867 5.637 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.958 9.707 5.968 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.074 10.359 4.961 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.665 10.060 5.392 1.00 0.00 C ATOM 0 HA PRO A 93 -7.359 8.175 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.927 9.454 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.147 10.367 6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.267 9.969 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.251 11.434 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.997 9.955 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.259 10.855 6.018 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.730 6.639 4.857 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.044 5.474 4.039 1.00 0.00 C ATOM 1338 C ARG A 94 -6.281 4.245 4.528 1.00 0.00 C ATOM 1339 O ARG A 94 -6.392 3.164 3.951 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.704 5.747 2.573 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.540 6.855 1.951 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.973 6.404 1.714 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.887 7.536 1.585 1.00 0.00 N ATOM 1344 CZ ARG A 94 -11.179 7.408 1.303 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -11.707 6.204 1.124 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.948 8.486 1.202 1.00 0.00 N ATOM 0 H ARG A 94 -5.756 6.937 4.810 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.112 5.277 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.650 6.012 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.845 4.831 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.535 7.727 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.093 7.163 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.017 5.797 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.295 5.770 2.540 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.513 8.476 1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.121 5.373 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.699 6.109 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.547 9.413 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.940 8.387 0.985 1.00 0.00 H new ATOM 1360 N SER A 95 -5.507 4.422 5.595 1.00 0.00 N ATOM 1361 CA SER A 95 -4.723 3.329 6.159 1.00 0.00 C ATOM 1362 C SER A 95 -5.205 2.985 7.565 1.00 0.00 C ATOM 1363 O SER A 95 -5.763 3.818 8.279 1.00 0.00 O ATOM 1364 CB SER A 95 -3.240 3.702 6.192 1.00 0.00 C ATOM 1365 OG SER A 95 -2.589 3.107 7.301 1.00 0.00 O ATOM 0 H SER A 95 -5.406 5.311 6.085 1.00 0.00 H new ATOM 0 HA SER A 95 -4.855 2.453 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.760 3.379 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.135 4.786 6.243 1.00 0.00 H new ATOM 0 HG SER A 95 -1.847 3.678 7.590 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.983 1.727 7.974 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.320 0.726 7.132 1.00 0.00 C ATOM 1373 C PRO A 96 -5.184 0.295 5.953 1.00 0.00 C ATOM 1374 O PRO A 96 -6.300 0.783 5.778 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.094 -0.448 8.088 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.149 -0.296 9.129 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.364 1.184 9.288 1.00 0.00 C ATOM 0 HA PRO A 96 -3.404 1.112 6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.183 -1.403 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.097 -0.415 8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.070 -0.794 8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.837 -0.748 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.401 1.415 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.748 1.596 10.087 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.661 -0.621 5.145 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.385 -1.119 3.981 1.00 0.00 C ATOM 1387 C PHE A 97 -5.616 -2.623 4.086 1.00 0.00 C ATOM 1388 O PHE A 97 -4.672 -3.400 4.230 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.614 -0.797 2.700 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.610 0.664 2.352 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.636 1.507 2.862 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.579 1.194 1.516 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.631 2.853 2.544 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.578 2.537 1.194 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.602 3.368 1.708 1.00 0.00 C ATOM 0 H PHE A 97 -3.737 -1.034 5.275 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.355 -0.623 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.585 -1.139 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.050 -1.358 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.873 1.109 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.345 0.549 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.868 3.501 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.340 2.937 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.598 4.418 1.457 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.880 -3.027 4.015 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.238 -4.438 4.100 1.00 0.00 C ATOM 1407 C LYS A 98 -7.110 -5.116 2.740 1.00 0.00 C ATOM 1408 O LYS A 98 -8.021 -5.048 1.914 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.667 -4.592 4.627 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.714 -3.930 3.747 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.919 -3.479 4.556 1.00 0.00 C ATOM 1412 CE LYS A 98 -12.166 -3.383 3.691 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.591 -4.716 3.180 1.00 0.00 N ATOM 0 H LYS A 98 -7.674 -2.397 3.899 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.548 -4.921 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.899 -5.653 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.724 -4.166 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.274 -3.072 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.035 -4.628 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.094 -4.180 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.713 -2.509 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.977 -2.941 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.974 -2.716 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.614 -4.705 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.078 -4.931 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.379 -5.444 3.891 1.00 0.00 H new ATOM 1427 N VAL A 99 -5.976 -5.770 2.514 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.730 -6.462 1.254 1.00 0.00 C ATOM 1429 C VAL A 99 -5.928 -7.966 1.406 1.00 0.00 C ATOM 1430 O VAL A 99 -5.080 -8.662 1.966 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.306 -6.192 0.734 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.052 -6.968 -0.550 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.092 -4.702 0.518 1.00 0.00 C ATOM 0 H VAL A 99 -5.212 -5.836 3.187 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.451 -6.075 0.534 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.592 -6.533 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.041 -6.765 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.162 -8.035 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.771 -6.660 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.080 -4.529 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.812 -4.333 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.230 -4.174 1.462 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.053 -8.464 0.904 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.363 -9.887 0.981 1.00 0.00 C ATOM 1445 C LYS A 100 -6.723 -10.646 -0.177 1.00 0.00 C ATOM 1446 O LYS A 100 -7.219 -10.613 -1.303 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.879 -10.100 0.971 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.287 -11.561 1.055 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.707 -11.773 0.558 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.752 -11.924 -0.954 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.045 -12.497 -1.417 1.00 0.00 N ATOM 0 H LYS A 100 -7.766 -7.902 0.439 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.955 -10.274 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.319 -9.559 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.293 -9.667 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.600 -12.166 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.207 -11.903 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.128 -12.663 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.329 -10.930 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.599 -10.951 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.933 -12.566 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.035 -12.584 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.180 -13.437 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.825 -11.872 -1.129 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.622 -11.332 0.109 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.916 -12.103 -0.908 1.00 0.00 C ATOM 1467 C VAL A 101 -5.658 -13.395 -1.232 1.00 0.00 C ATOM 1468 O VAL A 101 -6.242 -14.025 -0.351 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.483 -12.446 -0.459 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.754 -13.220 -1.545 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.723 -11.180 -0.093 1.00 0.00 C ATOM 0 H VAL A 101 -5.199 -11.370 1.036 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.869 -11.480 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.540 -13.078 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.743 -13.453 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.290 -14.146 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.705 -12.617 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.713 -11.440 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.674 -10.521 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.237 -10.670 0.722 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.630 -13.783 -2.502 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.300 -15.001 -2.944 1.00 0.00 C ATOM 1483 C LEU A 102 -5.286 -16.092 -3.275 1.00 0.00 C ATOM 1484 O LEU A 102 -4.135 -15.819 -3.615 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.172 -14.712 -4.167 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.404 -13.839 -3.922 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.887 -13.220 -5.224 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.514 -14.652 -3.272 1.00 0.00 C ATOM 0 H LEU A 102 -5.151 -13.272 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.932 -15.354 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.553 -14.229 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.502 -15.663 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.125 -13.034 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.764 -12.602 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.095 -12.603 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.148 -14.010 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.382 -14.014 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.791 -15.478 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.165 -15.046 -2.318 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.722 -17.356 -3.176 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.869 -18.512 -3.464 1.00 0.00 C ATOM 1502 C PRO A 103 -4.542 -18.637 -4.948 1.00 0.00 C ATOM 1503 O PRO A 103 -5.439 -18.730 -5.786 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.714 -19.702 -3.001 1.00 0.00 C ATOM 1505 CG PRO A 103 -7.122 -19.224 -3.093 1.00 0.00 C ATOM 1506 CD PRO A 103 -7.083 -17.754 -2.778 1.00 0.00 C ATOM 0 HA PRO A 103 -3.903 -18.438 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.550 -20.574 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.461 -19.995 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.529 -19.399 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.762 -19.757 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.842 -17.204 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.264 -17.565 -1.720 1.00 0.00 H new ATOM 1514 N THR A 104 -3.251 -18.640 -5.267 1.00 0.00 N ATOM 1515 CA THR A 104 -2.807 -18.753 -6.651 1.00 0.00 C ATOM 1516 C THR A 104 -3.746 -19.639 -7.459 1.00 0.00 C ATOM 1517 O THR A 104 -3.994 -19.384 -8.638 1.00 0.00 O ATOM 1518 CB THR A 104 -1.378 -19.323 -6.736 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.465 -18.463 -6.045 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.942 -19.474 -8.185 1.00 0.00 C ATOM 0 H THR A 104 -2.495 -18.566 -4.586 1.00 0.00 H new ATOM 0 HA THR A 104 -2.814 -17.747 -7.070 1.00 0.00 H new ATOM 0 HB THR A 104 -1.374 -20.307 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.706 -17.528 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.070 -19.878 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.622 -20.152 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.961 -18.500 -8.674 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.266 -20.681 -6.820 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.176 -21.608 -7.481 1.00 0.00 C ATOM 1530 C TYR A 105 -6.567 -20.996 -7.623 1.00 0.00 C ATOM 1531 O TYR A 105 -7.065 -20.339 -6.708 1.00 0.00 O ATOM 1532 CB TYR A 105 -5.262 -22.919 -6.699 1.00 0.00 C ATOM 1533 CG TYR A 105 -4.087 -23.841 -6.933 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.783 -23.398 -6.750 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -4.281 -25.155 -7.339 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.706 -24.236 -6.964 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -3.210 -26.002 -7.553 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.925 -25.538 -7.365 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.856 -26.378 -7.580 1.00 0.00 O ATOM 0 H TYR A 105 -4.072 -20.905 -5.844 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.784 -21.813 -8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.330 -22.694 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -6.180 -23.437 -6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.608 -22.380 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.286 -25.521 -7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.699 -23.874 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.379 -27.022 -7.866 1.00 0.00 H new ATOM 0 HH TYR A 105 -1.183 -27.259 -7.857 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.188 -21.216 -8.777 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.522 -20.689 -9.040 1.00 0.00 C ATOM 1551 C ASP A 106 -9.238 -21.523 -10.098 1.00 0.00 C ATOM 1552 O ASP A 106 -8.796 -21.600 -11.244 1.00 0.00 O ATOM 1553 CB ASP A 106 -8.437 -19.231 -9.493 1.00 0.00 C ATOM 1554 CG ASP A 106 -9.713 -18.462 -9.214 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -10.223 -18.552 -8.078 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -10.204 -17.772 -10.132 1.00 0.00 O ATOM 0 H ASP A 106 -6.789 -21.756 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.095 -20.741 -8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.605 -18.744 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.222 -19.198 -10.561 1.00 0.00 H new ATOM 1561 N ALA A 107 -10.342 -22.147 -9.704 1.00 0.00 N ATOM 1562 CA ALA A 107 -11.119 -22.975 -10.620 1.00 0.00 C ATOM 1563 C ALA A 107 -12.356 -22.235 -11.115 1.00 0.00 C ATOM 1564 O ALA A 107 -13.459 -22.442 -10.609 1.00 0.00 O ATOM 1565 CB ALA A 107 -11.518 -24.279 -9.942 1.00 0.00 C ATOM 0 H ALA A 107 -10.719 -22.096 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.494 -23.202 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.097 -24.888 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.622 -24.823 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.121 -24.061 -9.060 1.00 0.00 H new ATOM 1571 N SER A 108 -12.165 -21.369 -12.105 1.00 0.00 N ATOM 1572 CA SER A 108 -13.265 -20.594 -12.666 1.00 0.00 C ATOM 1573 C SER A 108 -14.284 -21.506 -13.343 1.00 0.00 C ATOM 1574 O SER A 108 -15.477 -21.446 -13.050 1.00 0.00 O ATOM 1575 CB SER A 108 -12.735 -19.569 -13.670 1.00 0.00 C ATOM 1576 OG SER A 108 -13.677 -18.532 -13.885 1.00 0.00 O ATOM 0 H SER A 108 -11.258 -21.186 -12.535 1.00 0.00 H new ATOM 0 HA SER A 108 -13.760 -20.069 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.800 -19.145 -13.303 1.00 0.00 H new ATOM 0 HB3 SER A 108 -12.511 -20.063 -14.615 1.00 0.00 H new ATOM 0 HG SER A 108 -13.314 -17.889 -14.529 1.00 0.00 H new TER 1582 SER A 108