USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 MET CE :methyl -165:sc= -1.34 (180deg=-2.04) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0534 K(o=-0.053,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 72:sc= 1.32 USER MOD Single : A 37 SER OG : rot 94:sc= 1.21 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= -0.0407 (180deg=-0.267) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -158:sc= -0.475 (180deg=-1.59) USER MOD Single : A 69 MET CE :methyl -122:sc= -0.79 (180deg=-2.77!) USER MOD Single : A 70 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.011) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc=-0.00872 (180deg=-0.271) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.276 0.269 -2.135 1.00 0.00 N ATOM 2 CA GLY A 1 -22.022 0.994 -2.205 1.00 0.00 C ATOM 3 C GLY A 1 -21.587 1.532 -0.856 1.00 0.00 C ATOM 4 O GLY A 1 -22.267 2.372 -0.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.530 -0.078 -3.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.175 -0.537 -1.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.024 0.902 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.247 0.336 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.123 1.821 -2.907 1.00 0.00 H new ATOM 8 N SER A 2 -20.451 1.046 -0.365 1.00 0.00 N ATOM 9 CA SER A 2 -19.930 1.478 0.927 1.00 0.00 C ATOM 10 C SER A 2 -18.892 2.582 0.751 1.00 0.00 C ATOM 11 O SER A 2 -18.194 2.638 -0.262 1.00 0.00 O ATOM 12 CB SER A 2 -19.311 0.295 1.673 1.00 0.00 C ATOM 13 OG SER A 2 -17.980 0.063 1.246 1.00 0.00 O ATOM 0 H SER A 2 -19.874 0.353 -0.842 1.00 0.00 H new ATOM 0 HA SER A 2 -20.760 1.873 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.323 0.490 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.911 -0.599 1.505 1.00 0.00 H new ATOM 0 HG SER A 2 -17.606 -0.697 1.739 1.00 0.00 H new ATOM 19 N SER A 3 -18.795 3.460 1.744 1.00 0.00 N ATOM 20 CA SER A 3 -17.845 4.565 1.699 1.00 0.00 C ATOM 21 C SER A 3 -17.752 5.257 3.055 1.00 0.00 C ATOM 22 O SER A 3 -18.338 4.803 4.038 1.00 0.00 O ATOM 23 CB SER A 3 -18.257 5.574 0.625 1.00 0.00 C ATOM 24 OG SER A 3 -17.264 5.682 -0.380 1.00 0.00 O ATOM 0 H SER A 3 -19.363 3.427 2.590 1.00 0.00 H new ATOM 0 HA SER A 3 -16.864 4.160 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.202 5.267 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.424 6.549 1.082 1.00 0.00 H new ATOM 0 HG SER A 3 -17.551 6.331 -1.055 1.00 0.00 H new ATOM 30 N GLY A 4 -17.011 6.360 3.101 1.00 0.00 N ATOM 31 CA GLY A 4 -16.854 7.098 4.340 1.00 0.00 C ATOM 32 C GLY A 4 -15.811 8.193 4.234 1.00 0.00 C ATOM 33 O GLY A 4 -14.727 7.977 3.692 1.00 0.00 O ATOM 0 H GLY A 4 -16.516 6.756 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.811 7.538 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.573 6.409 5.137 1.00 0.00 H new ATOM 37 N SER A 5 -16.139 9.372 4.752 1.00 0.00 N ATOM 38 CA SER A 5 -15.224 10.507 4.709 1.00 0.00 C ATOM 39 C SER A 5 -15.642 11.580 5.710 1.00 0.00 C ATOM 40 O SER A 5 -16.770 11.579 6.203 1.00 0.00 O ATOM 41 CB SER A 5 -15.178 11.099 3.300 1.00 0.00 C ATOM 42 OG SER A 5 -13.969 11.806 3.083 1.00 0.00 O ATOM 0 H SER A 5 -17.031 9.566 5.206 1.00 0.00 H new ATOM 0 HA SER A 5 -14.230 10.151 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.273 10.301 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.026 11.769 3.156 1.00 0.00 H new ATOM 0 HG SER A 5 -13.963 12.173 2.174 1.00 0.00 H new ATOM 48 N SER A 6 -14.725 12.496 6.004 1.00 0.00 N ATOM 49 CA SER A 6 -14.996 13.574 6.948 1.00 0.00 C ATOM 50 C SER A 6 -13.840 14.568 6.984 1.00 0.00 C ATOM 51 O SER A 6 -12.690 14.211 6.730 1.00 0.00 O ATOM 52 CB SER A 6 -15.237 13.004 8.348 1.00 0.00 C ATOM 53 OG SER A 6 -16.398 13.568 8.934 1.00 0.00 O ATOM 0 H SER A 6 -13.788 12.513 5.602 1.00 0.00 H new ATOM 0 HA SER A 6 -15.892 14.098 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.344 11.921 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.372 13.205 8.980 1.00 0.00 H new ATOM 0 HG SER A 6 -16.532 13.187 9.827 1.00 0.00 H new ATOM 59 N GLY A 7 -14.154 15.820 7.302 1.00 0.00 N ATOM 60 CA GLY A 7 -13.132 16.849 7.365 1.00 0.00 C ATOM 61 C GLY A 7 -12.958 17.575 6.046 1.00 0.00 C ATOM 62 O GLY A 7 -13.921 18.100 5.487 1.00 0.00 O ATOM 0 H GLY A 7 -15.098 16.140 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.393 17.569 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.183 16.397 7.655 1.00 0.00 H new ATOM 66 N ASP A 8 -11.727 17.608 5.549 1.00 0.00 N ATOM 67 CA ASP A 8 -11.429 18.277 4.287 1.00 0.00 C ATOM 68 C ASP A 8 -10.619 17.369 3.368 1.00 0.00 C ATOM 69 O ASP A 8 -9.948 16.436 3.811 1.00 0.00 O ATOM 70 CB ASP A 8 -10.666 19.578 4.542 1.00 0.00 C ATOM 71 CG ASP A 8 -11.572 20.793 4.529 1.00 0.00 C ATOM 72 OD1 ASP A 8 -12.510 20.843 5.352 1.00 0.00 O ATOM 73 OD2 ASP A 8 -11.342 21.694 3.696 1.00 0.00 O ATOM 0 H ASP A 8 -10.919 17.180 6.000 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.374 18.510 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.160 19.516 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.893 19.697 3.783 1.00 0.00 H new ATOM 78 N PRO A 9 -10.681 17.645 2.057 1.00 0.00 N ATOM 79 CA PRO A 9 -9.959 16.864 1.048 1.00 0.00 C ATOM 80 C PRO A 9 -8.451 17.076 1.121 1.00 0.00 C ATOM 81 O PRO A 9 -7.679 16.116 1.111 1.00 0.00 O ATOM 82 CB PRO A 9 -10.511 17.398 -0.275 1.00 0.00 C ATOM 83 CG PRO A 9 -10.973 18.779 0.037 1.00 0.00 C ATOM 84 CD PRO A 9 -11.460 18.742 1.458 1.00 0.00 C ATOM 0 HA PRO A 9 -10.102 15.792 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.745 17.403 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.331 16.779 -0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.161 19.497 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.770 19.086 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.281 19.688 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.532 18.549 1.511 1.00 0.00 H new ATOM 92 N GLU A 10 -8.038 18.337 1.195 1.00 0.00 N ATOM 93 CA GLU A 10 -6.621 18.673 1.270 1.00 0.00 C ATOM 94 C GLU A 10 -5.956 17.973 2.452 1.00 0.00 C ATOM 95 O GLU A 10 -4.754 17.710 2.436 1.00 0.00 O ATOM 96 CB GLU A 10 -6.438 20.187 1.391 1.00 0.00 C ATOM 97 CG GLU A 10 -6.410 20.906 0.054 1.00 0.00 C ATOM 98 CD GLU A 10 -6.155 22.394 0.196 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.273 22.910 1.327 1.00 0.00 O ATOM 100 OE2 GLU A 10 -5.838 23.043 -0.822 1.00 0.00 O ATOM 0 H GLU A 10 -8.664 19.142 1.205 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.144 18.329 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.248 20.595 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.509 20.391 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.635 20.467 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.360 20.751 -0.457 1.00 0.00 H new ATOM 107 N VAL A 11 -6.749 17.674 3.476 1.00 0.00 N ATOM 108 CA VAL A 11 -6.240 17.004 4.667 1.00 0.00 C ATOM 109 C VAL A 11 -5.465 15.744 4.300 1.00 0.00 C ATOM 110 O VAL A 11 -4.249 15.678 4.471 1.00 0.00 O ATOM 111 CB VAL A 11 -7.381 16.629 5.631 1.00 0.00 C ATOM 112 CG1 VAL A 11 -6.833 15.904 6.851 1.00 0.00 C ATOM 113 CG2 VAL A 11 -8.158 17.870 6.044 1.00 0.00 C ATOM 0 H VAL A 11 -7.746 17.885 3.505 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.571 17.707 5.164 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.064 15.955 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.654 15.647 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.324 14.993 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.128 16.551 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.961 17.587 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.488 18.569 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.583 18.344 5.159 1.00 0.00 H new ATOM 123 N MET A 12 -6.179 14.744 3.792 1.00 0.00 N ATOM 124 CA MET A 12 -5.557 13.485 3.398 1.00 0.00 C ATOM 125 C MET A 12 -4.847 13.626 2.056 1.00 0.00 C ATOM 126 O MET A 12 -3.775 13.058 1.847 1.00 0.00 O ATOM 127 CB MET A 12 -6.608 12.376 3.318 1.00 0.00 C ATOM 128 CG MET A 12 -7.565 12.359 4.499 1.00 0.00 C ATOM 129 SD MET A 12 -6.714 12.182 6.079 1.00 0.00 S ATOM 130 CE MET A 12 -5.690 10.749 5.754 1.00 0.00 C ATOM 0 H MET A 12 -7.187 14.781 3.644 1.00 0.00 H new ATOM 0 HA MET A 12 -4.817 13.221 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 12 -7.181 12.495 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.103 11.412 3.256 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.146 13.281 4.505 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.272 11.538 4.377 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.309 10.353 6.695 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.283 9.984 5.252 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.854 11.036 5.117 1.00 0.00 H new ATOM 140 N ALA A 13 -5.451 14.386 1.149 1.00 0.00 N ATOM 141 CA ALA A 13 -4.874 14.602 -0.173 1.00 0.00 C ATOM 142 C ALA A 13 -3.441 15.113 -0.070 1.00 0.00 C ATOM 143 O ALA A 13 -2.623 14.878 -0.958 1.00 0.00 O ATOM 144 CB ALA A 13 -5.729 15.578 -0.968 1.00 0.00 C ATOM 0 H ALA A 13 -6.339 14.863 1.305 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.854 13.645 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.287 15.730 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.735 15.173 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.779 16.531 -0.441 1.00 0.00 H new ATOM 150 N LYS A 14 -3.146 15.813 1.019 1.00 0.00 N ATOM 151 CA LYS A 14 -1.811 16.358 1.240 1.00 0.00 C ATOM 152 C LYS A 14 -0.768 15.245 1.274 1.00 0.00 C ATOM 153 O LYS A 14 0.385 15.449 0.893 1.00 0.00 O ATOM 154 CB LYS A 14 -1.771 17.150 2.549 1.00 0.00 C ATOM 155 CG LYS A 14 -1.772 18.656 2.348 1.00 0.00 C ATOM 156 CD LYS A 14 -0.359 19.214 2.314 1.00 0.00 C ATOM 157 CE LYS A 14 0.297 19.155 3.684 1.00 0.00 C ATOM 158 NZ LYS A 14 1.490 20.043 3.767 1.00 0.00 N ATOM 0 H LYS A 14 -3.813 16.017 1.763 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.577 17.026 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.631 16.872 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.879 16.867 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.283 18.899 1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.333 19.131 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.239 18.649 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.383 20.246 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.426 19.446 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.593 18.129 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.909 19.974 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.191 19.749 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.204 21.026 3.585 1.00 0.00 H new ATOM 172 N VAL A 15 -1.181 14.067 1.732 1.00 0.00 N ATOM 173 CA VAL A 15 -0.283 12.921 1.814 1.00 0.00 C ATOM 174 C VAL A 15 0.037 12.374 0.427 1.00 0.00 C ATOM 175 O VAL A 15 -0.857 12.175 -0.396 1.00 0.00 O ATOM 176 CB VAL A 15 -0.888 11.794 2.672 1.00 0.00 C ATOM 177 CG1 VAL A 15 0.120 10.672 2.866 1.00 0.00 C ATOM 178 CG2 VAL A 15 -1.357 12.339 4.012 1.00 0.00 C ATOM 0 H VAL A 15 -2.132 13.882 2.052 1.00 0.00 H new ATOM 0 HA VAL A 15 0.636 13.271 2.284 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.753 11.386 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.325 9.885 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.402 10.265 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.006 11.061 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.782 11.529 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.511 12.774 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.115 13.105 3.848 1.00 0.00 H new ATOM 188 N LYS A 16 1.318 12.132 0.174 1.00 0.00 N ATOM 189 CA LYS A 16 1.759 11.606 -1.113 1.00 0.00 C ATOM 190 C LYS A 16 2.662 10.392 -0.923 1.00 0.00 C ATOM 191 O LYS A 16 3.498 10.087 -1.775 1.00 0.00 O ATOM 192 CB LYS A 16 2.499 12.687 -1.903 1.00 0.00 C ATOM 193 CG LYS A 16 3.741 13.211 -1.202 1.00 0.00 C ATOM 194 CD LYS A 16 4.507 14.186 -2.079 1.00 0.00 C ATOM 195 CE LYS A 16 4.982 15.395 -1.287 1.00 0.00 C ATOM 196 NZ LYS A 16 6.131 16.074 -1.946 1.00 0.00 N ATOM 0 H LYS A 16 2.071 12.292 0.844 1.00 0.00 H new ATOM 0 HA LYS A 16 0.876 11.297 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.784 12.284 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.819 13.518 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.455 13.704 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.388 12.376 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.365 13.681 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.871 14.515 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.159 16.101 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.272 15.081 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.425 16.892 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.925 15.408 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.847 16.397 -2.893 1.00 0.00 H new ATOM 210 N VAL A 17 2.489 9.699 0.198 1.00 0.00 N ATOM 211 CA VAL A 17 3.286 8.517 0.498 1.00 0.00 C ATOM 212 C VAL A 17 2.433 7.424 1.131 1.00 0.00 C ATOM 213 O VAL A 17 1.628 7.689 2.025 1.00 0.00 O ATOM 214 CB VAL A 17 4.455 8.853 1.444 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.368 7.648 1.613 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.232 10.052 0.925 1.00 0.00 C ATOM 0 H VAL A 17 1.803 9.937 0.914 1.00 0.00 H new ATOM 0 HA VAL A 17 3.687 8.158 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 17 4.047 9.109 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.188 7.904 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.801 6.818 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.771 7.358 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.054 10.275 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.631 9.827 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.569 10.915 0.861 1.00 0.00 H new ATOM 226 N LEU A 18 2.613 6.194 0.663 1.00 0.00 N ATOM 227 CA LEU A 18 1.860 5.058 1.184 1.00 0.00 C ATOM 228 C LEU A 18 2.738 4.183 2.072 1.00 0.00 C ATOM 229 O LEU A 18 3.905 3.940 1.763 1.00 0.00 O ATOM 230 CB LEU A 18 1.290 4.228 0.032 1.00 0.00 C ATOM 231 CG LEU A 18 0.611 5.013 -1.090 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.418 4.134 -2.316 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.723 5.573 -0.618 1.00 0.00 C ATOM 0 H LEU A 18 3.274 5.957 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 18 1.038 5.444 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.100 3.641 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.568 3.522 0.442 1.00 0.00 H new ATOM 0 HG LEU A 18 1.256 5.848 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.067 4.710 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.388 3.782 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.206 3.279 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.192 6.129 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.375 4.754 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.559 6.238 0.230 1.00 0.00 H new ATOM 245 N PHE A 19 2.169 3.709 3.176 1.00 0.00 N ATOM 246 CA PHE A 19 2.900 2.860 4.109 1.00 0.00 C ATOM 247 C PHE A 19 2.447 1.407 3.990 1.00 0.00 C ATOM 248 O PHE A 19 1.441 1.008 4.575 1.00 0.00 O ATOM 249 CB PHE A 19 2.700 3.352 5.543 1.00 0.00 C ATOM 250 CG PHE A 19 3.725 2.823 6.506 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.076 3.044 6.291 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.338 2.105 7.625 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.021 2.559 7.175 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.278 1.617 8.513 1.00 0.00 C ATOM 255 CZ PHE A 19 5.621 1.844 8.289 1.00 0.00 C ATOM 0 H PHE A 19 1.204 3.899 3.446 1.00 0.00 H new ATOM 0 HA PHE A 19 3.959 2.914 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.732 4.441 5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.707 3.059 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.394 3.602 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.289 1.924 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.071 2.738 6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.962 1.058 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.357 1.464 8.982 1.00 0.00 H new ATOM 265 N VAL A 20 3.197 0.620 3.225 1.00 0.00 N ATOM 266 CA VAL A 20 2.875 -0.788 3.029 1.00 0.00 C ATOM 267 C VAL A 20 3.546 -1.658 4.087 1.00 0.00 C ATOM 268 O VAL A 20 4.767 -1.810 4.096 1.00 0.00 O ATOM 269 CB VAL A 20 3.307 -1.273 1.632 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.793 -2.681 1.374 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.816 -0.312 0.560 1.00 0.00 C ATOM 0 H VAL A 20 4.032 0.934 2.731 1.00 0.00 H new ATOM 0 HA VAL A 20 1.793 -0.881 3.119 1.00 0.00 H new ATOM 0 HB VAL A 20 4.396 -1.297 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.108 -3.007 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.198 -3.359 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.704 -2.687 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.130 -0.670 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.728 -0.254 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.238 0.677 0.737 1.00 0.00 H new ATOM 281 N ARG A 21 2.738 -2.227 4.976 1.00 0.00 N ATOM 282 CA ARG A 21 3.254 -3.081 6.039 1.00 0.00 C ATOM 283 C ARG A 21 3.021 -4.554 5.713 1.00 0.00 C ATOM 284 O ARG A 21 2.276 -4.886 4.792 1.00 0.00 O ATOM 285 CB ARG A 21 2.589 -2.731 7.371 1.00 0.00 C ATOM 286 CG ARG A 21 3.551 -2.157 8.399 1.00 0.00 C ATOM 287 CD ARG A 21 2.960 -2.197 9.799 1.00 0.00 C ATOM 288 NE ARG A 21 3.866 -1.628 10.792 1.00 0.00 N ATOM 289 CZ ARG A 21 4.975 -2.230 11.207 1.00 0.00 C ATOM 290 NH1 ARG A 21 5.313 -3.414 10.716 1.00 0.00 N ATOM 291 NH2 ARG A 21 5.748 -1.647 12.114 1.00 0.00 N ATOM 0 H ARG A 21 1.725 -2.112 4.981 1.00 0.00 H new ATOM 0 HA ARG A 21 4.327 -2.910 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.791 -2.011 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.124 -3.627 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.484 -2.721 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.795 -1.128 8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.018 -1.648 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.731 -3.229 10.066 1.00 0.00 H new ATOM 0 HE ARG A 21 3.635 -0.717 11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.721 -3.865 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.165 -3.874 11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.491 -0.736 12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.599 -2.110 12.432 1.00 0.00 H new ATOM 305 N ASN A 22 3.662 -5.432 6.476 1.00 0.00 N ATOM 306 CA ASN A 22 3.526 -6.869 6.268 1.00 0.00 C ATOM 307 C ASN A 22 3.927 -7.254 4.847 1.00 0.00 C ATOM 308 O ASN A 22 3.074 -7.524 4.001 1.00 0.00 O ATOM 309 CB ASN A 22 2.086 -7.311 6.542 1.00 0.00 C ATOM 310 CG ASN A 22 1.777 -7.386 8.025 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.652 -7.681 8.838 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.526 -7.121 8.381 1.00 0.00 N ATOM 0 H ASN A 22 4.281 -5.174 7.244 1.00 0.00 H new ATOM 0 HA ASN A 22 4.194 -7.377 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.398 -6.613 6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.916 -8.287 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.257 -7.158 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.166 -6.881 7.671 1.00 0.00 H new ATOM 319 N LEU A 23 5.230 -7.277 4.593 1.00 0.00 N ATOM 320 CA LEU A 23 5.746 -7.630 3.274 1.00 0.00 C ATOM 321 C LEU A 23 6.309 -9.048 3.271 1.00 0.00 C ATOM 322 O LEU A 23 6.322 -9.723 4.299 1.00 0.00 O ATOM 323 CB LEU A 23 6.829 -6.638 2.846 1.00 0.00 C ATOM 324 CG LEU A 23 6.338 -5.370 2.146 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.271 -4.678 2.979 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.501 -4.427 1.874 1.00 0.00 C ATOM 0 H LEU A 23 5.949 -7.056 5.282 1.00 0.00 H new ATOM 0 HA LEU A 23 4.920 -7.585 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.395 -6.345 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.522 -7.152 2.180 1.00 0.00 H new ATOM 0 HG LEU A 23 5.895 -5.654 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.934 -3.778 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.426 -5.352 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.686 -4.407 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.133 -3.530 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.973 -4.150 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.231 -4.924 1.235 1.00 0.00 H new ATOM 338 N ALA A 24 6.775 -9.491 2.108 1.00 0.00 N ATOM 339 CA ALA A 24 7.342 -10.826 1.971 1.00 0.00 C ATOM 340 C ALA A 24 8.866 -10.779 1.988 1.00 0.00 C ATOM 341 O ALA A 24 9.473 -9.814 1.522 1.00 0.00 O ATOM 342 CB ALA A 24 6.847 -11.483 0.691 1.00 0.00 C ATOM 0 H ALA A 24 6.771 -8.944 1.247 1.00 0.00 H new ATOM 0 HA ALA A 24 7.013 -11.422 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.279 -12.480 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.760 -11.560 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.146 -10.880 -0.167 1.00 0.00 H new ATOM 348 N THR A 25 9.481 -11.827 2.528 1.00 0.00 N ATOM 349 CA THR A 25 10.934 -11.903 2.608 1.00 0.00 C ATOM 350 C THR A 25 11.525 -12.469 1.322 1.00 0.00 C ATOM 351 O THR A 25 12.682 -12.206 0.989 1.00 0.00 O ATOM 352 CB THR A 25 11.387 -12.775 3.794 1.00 0.00 C ATOM 353 OG1 THR A 25 10.756 -12.329 5.000 1.00 0.00 O ATOM 354 CG2 THR A 25 12.898 -12.724 3.958 1.00 0.00 C ATOM 0 H THR A 25 8.995 -12.635 2.916 1.00 0.00 H new ATOM 0 HA THR A 25 11.296 -10.886 2.756 1.00 0.00 H new ATOM 0 HB THR A 25 11.094 -13.805 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.048 -12.890 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.194 -13.347 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.375 -13.092 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.210 -11.696 4.140 1.00 0.00 H new ATOM 362 N THR A 26 10.725 -13.247 0.599 1.00 0.00 N ATOM 363 CA THR A 26 11.170 -13.850 -0.651 1.00 0.00 C ATOM 364 C THR A 26 11.100 -12.849 -1.799 1.00 0.00 C ATOM 365 O THR A 26 11.876 -12.927 -2.752 1.00 0.00 O ATOM 366 CB THR A 26 10.325 -15.086 -1.010 1.00 0.00 C ATOM 367 OG1 THR A 26 8.940 -14.727 -1.090 1.00 0.00 O ATOM 368 CG2 THR A 26 10.509 -16.187 0.024 1.00 0.00 C ATOM 0 H THR A 26 9.765 -13.474 0.858 1.00 0.00 H new ATOM 0 HA THR A 26 12.205 -14.158 -0.503 1.00 0.00 H new ATOM 0 HB THR A 26 10.660 -15.458 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.410 -15.518 -1.320 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.902 -17.050 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.559 -16.479 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.198 -15.822 1.003 1.00 0.00 H new ATOM 376 N VAL A 27 10.166 -11.909 -1.702 1.00 0.00 N ATOM 377 CA VAL A 27 9.996 -10.891 -2.732 1.00 0.00 C ATOM 378 C VAL A 27 11.187 -9.941 -2.767 1.00 0.00 C ATOM 379 O VAL A 27 11.962 -9.861 -1.814 1.00 0.00 O ATOM 380 CB VAL A 27 8.709 -10.075 -2.508 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.499 -10.994 -2.443 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.822 -9.238 -1.244 1.00 0.00 C ATOM 0 H VAL A 27 9.515 -11.831 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 27 9.924 -11.414 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 27 8.577 -9.399 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.599 -10.400 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.410 -11.545 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.620 -11.697 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.904 -8.668 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.979 -9.893 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.664 -8.552 -1.336 1.00 0.00 H new ATOM 392 N THR A 28 11.329 -9.219 -3.875 1.00 0.00 N ATOM 393 CA THR A 28 12.427 -8.274 -4.036 1.00 0.00 C ATOM 394 C THR A 28 11.911 -6.894 -4.429 1.00 0.00 C ATOM 395 O THR A 28 10.762 -6.746 -4.843 1.00 0.00 O ATOM 396 CB THR A 28 13.431 -8.755 -5.101 1.00 0.00 C ATOM 397 OG1 THR A 28 14.507 -7.818 -5.218 1.00 0.00 O ATOM 398 CG2 THR A 28 12.751 -8.924 -6.450 1.00 0.00 C ATOM 0 H THR A 28 10.697 -9.271 -4.674 1.00 0.00 H new ATOM 0 HA THR A 28 12.933 -8.210 -3.072 1.00 0.00 H new ATOM 0 HB THR A 28 13.824 -9.722 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.142 -8.132 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.480 -9.264 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.951 -9.660 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.333 -7.969 -6.769 1.00 0.00 H new ATOM 406 N GLU A 29 12.768 -5.887 -4.295 1.00 0.00 N ATOM 407 CA GLU A 29 12.398 -4.518 -4.635 1.00 0.00 C ATOM 408 C GLU A 29 11.883 -4.435 -6.069 1.00 0.00 C ATOM 409 O GLU A 29 11.090 -3.557 -6.404 1.00 0.00 O ATOM 410 CB GLU A 29 13.595 -3.582 -4.456 1.00 0.00 C ATOM 411 CG GLU A 29 13.825 -3.159 -3.015 1.00 0.00 C ATOM 412 CD GLU A 29 15.175 -2.499 -2.809 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.202 -3.141 -3.109 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.203 -1.338 -2.350 1.00 0.00 O ATOM 0 H GLU A 29 13.723 -5.993 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 29 11.600 -4.207 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.492 -4.077 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.445 -2.692 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.037 -2.469 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.749 -4.032 -2.367 1.00 0.00 H new ATOM 421 N GLU A 30 12.343 -5.355 -6.911 1.00 0.00 N ATOM 422 CA GLU A 30 11.931 -5.385 -8.310 1.00 0.00 C ATOM 423 C GLU A 30 10.443 -5.703 -8.432 1.00 0.00 C ATOM 424 O GLU A 30 9.698 -4.987 -9.101 1.00 0.00 O ATOM 425 CB GLU A 30 12.749 -6.419 -9.085 1.00 0.00 C ATOM 426 CG GLU A 30 13.481 -5.842 -10.285 1.00 0.00 C ATOM 427 CD GLU A 30 14.973 -6.111 -10.244 1.00 0.00 C ATOM 428 OE1 GLU A 30 15.366 -7.291 -10.352 1.00 0.00 O ATOM 429 OE2 GLU A 30 15.746 -5.140 -10.104 1.00 0.00 O ATOM 0 H GLU A 30 13.001 -6.089 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 30 12.111 -4.398 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.475 -6.874 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.086 -7.215 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.064 -6.266 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.311 -4.766 -10.327 1.00 0.00 H new ATOM 436 N ILE A 31 10.019 -6.780 -7.781 1.00 0.00 N ATOM 437 CA ILE A 31 8.622 -7.193 -7.816 1.00 0.00 C ATOM 438 C ILE A 31 7.713 -6.102 -7.261 1.00 0.00 C ATOM 439 O ILE A 31 6.689 -5.768 -7.859 1.00 0.00 O ATOM 440 CB ILE A 31 8.397 -8.489 -7.015 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.283 -9.612 -7.562 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.932 -8.894 -7.063 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.426 -10.783 -6.616 1.00 0.00 C ATOM 0 H ILE A 31 10.623 -7.383 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 31 8.373 -7.374 -8.862 1.00 0.00 H new ATOM 0 HB ILE A 31 8.670 -8.308 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.866 -9.966 -8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.272 -9.210 -7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.789 -9.812 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.321 -8.100 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.634 -9.061 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.066 -11.540 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.871 -10.443 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.444 -11.211 -6.416 1.00 0.00 H new ATOM 455 N LEU A 32 8.093 -5.550 -6.114 1.00 0.00 N ATOM 456 CA LEU A 32 7.313 -4.494 -5.478 1.00 0.00 C ATOM 457 C LEU A 32 7.229 -3.263 -6.374 1.00 0.00 C ATOM 458 O LEU A 32 6.232 -2.543 -6.363 1.00 0.00 O ATOM 459 CB LEU A 32 7.933 -4.116 -4.131 1.00 0.00 C ATOM 460 CG LEU A 32 7.769 -5.139 -3.006 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.961 -5.091 -2.064 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.475 -4.892 -2.246 1.00 0.00 C ATOM 0 H LEU A 32 8.936 -5.816 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 32 6.303 -4.871 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.998 -3.938 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.495 -3.173 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 32 7.722 -6.134 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.827 -5.826 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.872 -5.318 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.040 -4.095 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.375 -5.629 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.492 -3.891 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.630 -4.979 -2.929 1.00 0.00 H new ATOM 474 N GLU A 33 8.283 -3.030 -7.152 1.00 0.00 N ATOM 475 CA GLU A 33 8.326 -1.886 -8.055 1.00 0.00 C ATOM 476 C GLU A 33 7.453 -2.130 -9.283 1.00 0.00 C ATOM 477 O GLU A 33 6.964 -1.189 -9.908 1.00 0.00 O ATOM 478 CB GLU A 33 9.767 -1.605 -8.489 1.00 0.00 C ATOM 479 CG GLU A 33 10.451 -0.532 -7.661 1.00 0.00 C ATOM 480 CD GLU A 33 11.964 -0.639 -7.703 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.493 -1.185 -8.694 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.618 -0.176 -6.745 1.00 0.00 O ATOM 0 H GLU A 33 9.116 -3.618 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 33 7.939 -1.019 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.344 -2.527 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.770 -1.302 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.150 0.450 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.114 -0.606 -6.627 1.00 0.00 H new ATOM 489 N LYS A 34 7.261 -3.400 -9.623 1.00 0.00 N ATOM 490 CA LYS A 34 6.447 -3.770 -10.774 1.00 0.00 C ATOM 491 C LYS A 34 4.985 -3.937 -10.376 1.00 0.00 C ATOM 492 O LYS A 34 4.084 -3.775 -11.199 1.00 0.00 O ATOM 493 CB LYS A 34 6.968 -5.066 -11.398 1.00 0.00 C ATOM 494 CG LYS A 34 7.847 -4.844 -12.616 1.00 0.00 C ATOM 495 CD LYS A 34 8.951 -5.885 -12.704 1.00 0.00 C ATOM 496 CE LYS A 34 9.096 -6.427 -14.119 1.00 0.00 C ATOM 497 NZ LYS A 34 10.149 -5.704 -14.884 1.00 0.00 N ATOM 0 H LYS A 34 7.659 -4.191 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 34 6.516 -2.967 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.534 -5.619 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.120 -5.690 -11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.237 -4.882 -13.518 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.287 -3.848 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.895 -5.444 -12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.734 -6.705 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.341 -7.488 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.143 -6.340 -14.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.217 -6.102 -15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.903 -4.695 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.063 -5.809 -14.400 1.00 0.00 H new ATOM 511 N SER A 35 4.755 -4.262 -9.107 1.00 0.00 N ATOM 512 CA SER A 35 3.402 -4.452 -8.600 1.00 0.00 C ATOM 513 C SER A 35 2.643 -3.129 -8.564 1.00 0.00 C ATOM 514 O SER A 35 1.431 -3.090 -8.775 1.00 0.00 O ATOM 515 CB SER A 35 3.441 -5.069 -7.200 1.00 0.00 C ATOM 516 OG SER A 35 4.219 -6.254 -7.187 1.00 0.00 O ATOM 0 H SER A 35 5.489 -4.399 -8.412 1.00 0.00 H new ATOM 0 HA SER A 35 2.881 -5.131 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.856 -4.350 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.427 -5.292 -6.869 1.00 0.00 H new ATOM 0 HG SER A 35 5.168 -6.023 -7.271 1.00 0.00 H new ATOM 522 N PHE A 36 3.366 -2.048 -8.293 1.00 0.00 N ATOM 523 CA PHE A 36 2.762 -0.722 -8.227 1.00 0.00 C ATOM 524 C PHE A 36 2.885 -0.002 -9.567 1.00 0.00 C ATOM 525 O PHE A 36 2.012 0.779 -9.947 1.00 0.00 O ATOM 526 CB PHE A 36 3.424 0.109 -7.126 1.00 0.00 C ATOM 527 CG PHE A 36 3.097 -0.364 -5.739 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.792 -0.339 -5.273 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.094 -0.837 -4.901 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.489 -0.773 -3.997 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.796 -1.274 -3.623 1.00 0.00 C ATOM 532 CZ PHE A 36 2.491 -1.243 -3.172 1.00 0.00 C ATOM 0 H PHE A 36 4.370 -2.064 -8.116 1.00 0.00 H new ATOM 0 HA PHE A 36 1.704 -0.843 -7.995 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.505 0.085 -7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.113 1.148 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.003 0.024 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.116 -0.865 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.468 -0.745 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.582 -1.639 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.255 -1.586 -2.175 1.00 0.00 H new ATOM 542 N SER A 37 3.976 -0.269 -10.278 1.00 0.00 N ATOM 543 CA SER A 37 4.216 0.356 -11.573 1.00 0.00 C ATOM 544 C SER A 37 3.031 0.139 -12.510 1.00 0.00 C ATOM 545 O SER A 37 2.777 0.947 -13.402 1.00 0.00 O ATOM 546 CB SER A 37 5.490 -0.206 -12.206 1.00 0.00 C ATOM 547 OG SER A 37 6.627 0.547 -11.818 1.00 0.00 O ATOM 0 H SER A 37 4.707 -0.914 -9.979 1.00 0.00 H new ATOM 0 HA SER A 37 4.339 1.427 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.620 -1.246 -11.908 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.396 -0.195 -13.292 1.00 0.00 H new ATOM 0 HG SER A 37 7.045 0.129 -11.036 1.00 0.00 H new ATOM 553 N GLU A 38 2.310 -0.958 -12.297 1.00 0.00 N ATOM 554 CA GLU A 38 1.153 -1.281 -13.123 1.00 0.00 C ATOM 555 C GLU A 38 0.087 -0.195 -13.016 1.00 0.00 C ATOM 556 O GLU A 38 -0.713 -0.001 -13.932 1.00 0.00 O ATOM 557 CB GLU A 38 0.564 -2.631 -12.708 1.00 0.00 C ATOM 558 CG GLU A 38 1.552 -3.782 -12.803 1.00 0.00 C ATOM 559 CD GLU A 38 1.082 -4.879 -13.738 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.051 -5.514 -13.436 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.746 -5.102 -14.772 1.00 0.00 O ATOM 0 H GLU A 38 2.507 -1.636 -11.561 1.00 0.00 H new ATOM 0 HA GLU A 38 1.484 -1.340 -14.160 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.200 -2.559 -11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.298 -2.851 -13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.514 -3.403 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.713 -4.201 -11.810 1.00 0.00 H new ATOM 568 N PHE A 39 0.082 0.512 -11.891 1.00 0.00 N ATOM 569 CA PHE A 39 -0.886 1.578 -11.662 1.00 0.00 C ATOM 570 C PHE A 39 -0.377 2.905 -12.220 1.00 0.00 C ATOM 571 O PHE A 39 -1.078 3.585 -12.968 1.00 0.00 O ATOM 572 CB PHE A 39 -1.177 1.720 -10.167 1.00 0.00 C ATOM 573 CG PHE A 39 -1.944 0.562 -9.593 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.316 -0.649 -9.350 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.291 0.686 -9.296 1.00 0.00 C ATOM 576 CE1 PHE A 39 -2.019 -1.716 -8.822 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.998 -0.376 -8.768 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.362 -1.580 -8.531 1.00 0.00 C ATOM 0 H PHE A 39 0.738 0.366 -11.123 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.807 1.314 -12.181 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.234 1.823 -9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.741 2.638 -10.000 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.266 -0.761 -9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.794 1.624 -9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.518 -2.655 -8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.048 -0.266 -8.540 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.914 -2.412 -8.119 1.00 0.00 H new ATOM 588 N GLY A 40 0.848 3.264 -11.850 1.00 0.00 N ATOM 589 CA GLY A 40 1.431 4.507 -12.322 1.00 0.00 C ATOM 590 C GLY A 40 2.940 4.532 -12.176 1.00 0.00 C ATOM 591 O GLY A 40 3.502 3.822 -11.342 1.00 0.00 O ATOM 0 H GLY A 40 1.447 2.717 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.168 4.653 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.001 5.340 -11.766 1.00 0.00 H new ATOM 595 N LYS A 41 3.597 5.351 -12.989 1.00 0.00 N ATOM 596 CA LYS A 41 5.050 5.467 -12.947 1.00 0.00 C ATOM 597 C LYS A 41 5.531 5.786 -11.534 1.00 0.00 C ATOM 598 O LYS A 41 5.439 6.927 -11.081 1.00 0.00 O ATOM 599 CB LYS A 41 5.524 6.553 -13.917 1.00 0.00 C ATOM 600 CG LYS A 41 6.805 6.197 -14.650 1.00 0.00 C ATOM 601 CD LYS A 41 8.035 6.575 -13.842 1.00 0.00 C ATOM 602 CE LYS A 41 8.848 7.657 -14.536 1.00 0.00 C ATOM 603 NZ LYS A 41 8.432 9.022 -14.110 1.00 0.00 N ATOM 0 H LYS A 41 3.147 5.945 -13.685 1.00 0.00 H new ATOM 0 HA LYS A 41 5.475 4.509 -13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.738 6.744 -14.648 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.677 7.480 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.820 5.127 -14.858 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.829 6.709 -15.612 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.730 6.924 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.657 5.693 -13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.906 7.514 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.732 7.562 -15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.009 9.731 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.429 9.168 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.567 9.121 -13.084 1.00 0.00 H new ATOM 617 N LEU A 42 6.045 4.773 -10.847 1.00 0.00 N ATOM 618 CA LEU A 42 6.541 4.946 -9.486 1.00 0.00 C ATOM 619 C LEU A 42 7.660 5.982 -9.443 1.00 0.00 C ATOM 620 O LEU A 42 8.087 6.492 -10.478 1.00 0.00 O ATOM 621 CB LEU A 42 7.044 3.612 -8.933 1.00 0.00 C ATOM 622 CG LEU A 42 6.002 2.500 -8.812 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.648 1.215 -8.314 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.873 2.924 -7.886 1.00 0.00 C ATOM 0 H LEU A 42 6.129 3.823 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 42 5.717 5.302 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.852 3.257 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.473 3.789 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 42 5.583 2.313 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.891 0.435 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.421 0.901 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.095 1.388 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.141 2.120 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.276 3.140 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.392 3.817 -8.284 1.00 0.00 H new ATOM 636 N GLU A 43 8.131 6.286 -8.237 1.00 0.00 N ATOM 637 CA GLU A 43 9.202 7.260 -8.060 1.00 0.00 C ATOM 638 C GLU A 43 10.442 6.603 -7.462 1.00 0.00 C ATOM 639 O GLU A 43 11.559 6.820 -7.931 1.00 0.00 O ATOM 640 CB GLU A 43 8.734 8.406 -7.160 1.00 0.00 C ATOM 641 CG GLU A 43 8.868 9.777 -7.800 1.00 0.00 C ATOM 642 CD GLU A 43 10.313 10.202 -7.971 1.00 0.00 C ATOM 643 OE1 GLU A 43 10.943 9.779 -8.963 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.816 10.958 -7.112 1.00 0.00 O ATOM 0 H GLU A 43 7.788 5.873 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 43 9.461 7.659 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.691 8.241 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.310 8.389 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.378 9.769 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.347 10.512 -7.187 1.00 0.00 H new ATOM 651 N ARG A 44 10.237 5.799 -6.424 1.00 0.00 N ATOM 652 CA ARG A 44 11.338 5.111 -5.761 1.00 0.00 C ATOM 653 C ARG A 44 10.825 4.242 -4.616 1.00 0.00 C ATOM 654 O ARG A 44 9.960 4.659 -3.846 1.00 0.00 O ATOM 655 CB ARG A 44 12.354 6.124 -5.231 1.00 0.00 C ATOM 656 CG ARG A 44 13.800 5.704 -5.445 1.00 0.00 C ATOM 657 CD ARG A 44 14.396 6.369 -6.676 1.00 0.00 C ATOM 658 NE ARG A 44 14.244 5.544 -7.871 1.00 0.00 N ATOM 659 CZ ARG A 44 14.801 5.837 -9.041 1.00 0.00 C ATOM 660 NH1 ARG A 44 15.542 6.929 -9.172 1.00 0.00 N ATOM 661 NH2 ARG A 44 14.618 5.036 -10.083 1.00 0.00 N ATOM 0 H ARG A 44 9.318 5.608 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 44 11.825 4.467 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.187 7.084 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.182 6.275 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.390 5.966 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.853 4.621 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.913 7.333 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.454 6.567 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 44 13.680 4.697 -7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.686 7.547 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.968 7.151 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.049 4.195 -9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.046 5.262 -10.981 1.00 0.00 H new ATOM 675 N VAL A 45 11.364 3.032 -4.511 1.00 0.00 N ATOM 676 CA VAL A 45 10.962 2.104 -3.460 1.00 0.00 C ATOM 677 C VAL A 45 12.158 1.679 -2.616 1.00 0.00 C ATOM 678 O VAL A 45 13.271 1.536 -3.122 1.00 0.00 O ATOM 679 CB VAL A 45 10.290 0.849 -4.047 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.866 -0.100 -2.936 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.099 1.237 -4.911 1.00 0.00 C ATOM 0 H VAL A 45 12.080 2.671 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 45 10.245 2.630 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 45 11.014 0.332 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.393 -0.981 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.742 -0.404 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.159 0.404 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.636 0.338 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.371 1.778 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.435 1.874 -5.729 1.00 0.00 H new ATOM 691 N LYS A 46 11.921 1.477 -1.324 1.00 0.00 N ATOM 692 CA LYS A 46 12.977 1.066 -0.407 1.00 0.00 C ATOM 693 C LYS A 46 12.462 0.029 0.586 1.00 0.00 C ATOM 694 O LYS A 46 11.364 0.162 1.126 1.00 0.00 O ATOM 695 CB LYS A 46 13.528 2.279 0.345 1.00 0.00 C ATOM 696 CG LYS A 46 15.005 2.166 0.683 1.00 0.00 C ATOM 697 CD LYS A 46 15.865 2.180 -0.568 1.00 0.00 C ATOM 698 CE LYS A 46 17.026 3.155 -0.437 1.00 0.00 C ATOM 699 NZ LYS A 46 17.894 3.150 -1.646 1.00 0.00 N ATOM 0 H LYS A 46 11.006 1.591 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 46 13.778 0.615 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.369 3.173 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.962 2.412 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.294 2.991 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.183 1.245 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.250 1.178 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.254 2.454 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.639 4.161 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.621 2.895 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.673 3.827 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.284 2.197 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.332 3.423 -2.478 1.00 0.00 H new ATOM 713 N LYS A 47 13.263 -1.004 0.824 1.00 0.00 N ATOM 714 CA LYS A 47 12.891 -2.064 1.755 1.00 0.00 C ATOM 715 C LYS A 47 13.348 -1.729 3.171 1.00 0.00 C ATOM 716 O LYS A 47 14.520 -1.891 3.511 1.00 0.00 O ATOM 717 CB LYS A 47 13.499 -3.396 1.313 1.00 0.00 C ATOM 718 CG LYS A 47 12.589 -4.589 1.550 1.00 0.00 C ATOM 719 CD LYS A 47 12.630 -5.562 0.383 1.00 0.00 C ATOM 720 CE LYS A 47 11.825 -6.819 0.677 1.00 0.00 C ATOM 721 NZ LYS A 47 12.704 -7.996 0.919 1.00 0.00 N ATOM 0 H LYS A 47 14.175 -1.130 0.385 1.00 0.00 H new ATOM 0 HA LYS A 47 11.804 -2.150 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.742 -3.340 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.436 -3.553 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.890 -5.102 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.566 -4.243 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.236 -5.077 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.664 -5.832 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.195 -6.651 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.160 -7.029 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.118 -8.832 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.288 -8.172 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.321 -7.806 1.734 1.00 0.00 H new ATOM 735 N LEU A 48 12.414 -1.262 3.994 1.00 0.00 N ATOM 736 CA LEU A 48 12.721 -0.906 5.375 1.00 0.00 C ATOM 737 C LEU A 48 11.803 -1.644 6.345 1.00 0.00 C ATOM 738 O LEU A 48 10.606 -1.368 6.414 1.00 0.00 O ATOM 739 CB LEU A 48 12.584 0.605 5.575 1.00 0.00 C ATOM 740 CG LEU A 48 13.761 1.455 5.094 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.040 1.048 5.808 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.925 1.331 3.587 1.00 0.00 C ATOM 0 H LEU A 48 11.439 -1.121 3.729 1.00 0.00 H new ATOM 0 HA LEU A 48 13.750 -1.202 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.685 0.940 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.432 0.799 6.637 1.00 0.00 H new ATOM 0 HG LEU A 48 13.554 2.498 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.867 1.663 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.918 1.189 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.254 -0.001 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.767 1.942 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.110 0.289 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.016 1.673 3.093 1.00 0.00 H new ATOM 754 N LYS A 49 12.373 -2.583 7.091 1.00 0.00 N ATOM 755 CA LYS A 49 11.609 -3.361 8.060 1.00 0.00 C ATOM 756 C LYS A 49 10.539 -4.196 7.364 1.00 0.00 C ATOM 757 O LYS A 49 10.591 -4.405 6.152 1.00 0.00 O ATOM 758 CB LYS A 49 10.958 -2.433 9.088 1.00 0.00 C ATOM 759 CG LYS A 49 11.895 -1.363 9.622 1.00 0.00 C ATOM 760 CD LYS A 49 13.136 -1.972 10.253 1.00 0.00 C ATOM 761 CE LYS A 49 13.335 -1.480 11.678 1.00 0.00 C ATOM 762 NZ LYS A 49 12.206 -1.876 12.564 1.00 0.00 N ATOM 0 H LYS A 49 13.363 -2.825 7.044 1.00 0.00 H new ATOM 0 HA LYS A 49 12.296 -4.036 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.092 -1.952 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.589 -3.030 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.188 -0.697 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.372 -0.755 10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.051 -3.059 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.011 -1.720 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.267 -1.883 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.432 -0.394 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.536 -1.916 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.440 -1.178 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.853 -2.812 12.279 1.00 0.00 H new ATOM 776 N ASP A 50 9.568 -4.668 8.138 1.00 0.00 N ATOM 777 CA ASP A 50 8.484 -5.479 7.596 1.00 0.00 C ATOM 778 C ASP A 50 7.683 -4.694 6.561 1.00 0.00 C ATOM 779 O ASP A 50 6.929 -5.269 5.777 1.00 0.00 O ATOM 780 CB ASP A 50 7.561 -5.953 8.720 1.00 0.00 C ATOM 781 CG ASP A 50 8.249 -6.916 9.666 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.940 -6.446 10.593 1.00 0.00 O ATOM 783 OD2 ASP A 50 8.097 -8.142 9.479 1.00 0.00 O ATOM 0 H ASP A 50 9.509 -4.503 9.143 1.00 0.00 H new ATOM 0 HA ASP A 50 8.924 -6.348 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.204 -5.090 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.685 -6.437 8.287 1.00 0.00 H new ATOM 788 N TYR A 51 7.852 -3.376 6.566 1.00 0.00 N ATOM 789 CA TYR A 51 7.144 -2.511 5.631 1.00 0.00 C ATOM 790 C TYR A 51 8.085 -1.993 4.547 1.00 0.00 C ATOM 791 O TYR A 51 9.249 -2.386 4.481 1.00 0.00 O ATOM 792 CB TYR A 51 6.506 -1.335 6.373 1.00 0.00 C ATOM 793 CG TYR A 51 7.468 -0.598 7.279 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.330 0.365 6.772 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.511 -0.866 8.642 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.210 1.039 7.597 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.386 -0.195 9.474 1.00 0.00 C ATOM 798 CZ TYR A 51 9.235 0.756 8.946 1.00 0.00 C ATOM 799 OH TYR A 51 10.109 1.427 9.771 1.00 0.00 O ATOM 0 H TYR A 51 8.474 -2.884 7.208 1.00 0.00 H new ATOM 0 HA TYR A 51 6.360 -3.100 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.097 -0.635 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.669 -1.702 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.312 0.591 5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.849 -1.611 9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.875 1.784 7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.405 -0.413 10.532 1.00 0.00 H new ATOM 0 HH TYR A 51 9.998 1.110 10.692 1.00 0.00 H new ATOM 809 N ALA A 52 7.572 -1.107 3.701 1.00 0.00 N ATOM 810 CA ALA A 52 8.365 -0.531 2.622 1.00 0.00 C ATOM 811 C ALA A 52 7.977 0.921 2.369 1.00 0.00 C ATOM 812 O ALA A 52 6.887 1.358 2.741 1.00 0.00 O ATOM 813 CB ALA A 52 8.203 -1.352 1.352 1.00 0.00 C ATOM 0 H ALA A 52 6.610 -0.772 3.742 1.00 0.00 H new ATOM 0 HA ALA A 52 9.412 -0.552 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.801 -0.910 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.538 -2.373 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.154 -1.362 1.056 1.00 0.00 H new ATOM 819 N PHE A 53 8.875 1.667 1.734 1.00 0.00 N ATOM 820 CA PHE A 53 8.626 3.071 1.431 1.00 0.00 C ATOM 821 C PHE A 53 8.655 3.318 -0.074 1.00 0.00 C ATOM 822 O PHE A 53 9.718 3.303 -0.696 1.00 0.00 O ATOM 823 CB PHE A 53 9.665 3.956 2.124 1.00 0.00 C ATOM 824 CG PHE A 53 9.417 4.131 3.595 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.175 4.535 4.058 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.425 3.892 4.514 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.945 4.698 5.412 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.202 4.053 5.869 1.00 0.00 C ATOM 829 CZ PHE A 53 8.959 4.455 6.319 1.00 0.00 C ATOM 0 H PHE A 53 9.782 1.322 1.419 1.00 0.00 H new ATOM 0 HA PHE A 53 7.634 3.326 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.655 3.522 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.673 4.936 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.378 4.725 3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.398 3.576 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.973 5.015 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.998 3.865 6.574 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.780 4.579 7.377 1.00 0.00 H new ATOM 839 N VAL A 54 7.480 3.544 -0.653 1.00 0.00 N ATOM 840 CA VAL A 54 7.370 3.794 -2.085 1.00 0.00 C ATOM 841 C VAL A 54 6.865 5.206 -2.360 1.00 0.00 C ATOM 842 O VAL A 54 6.001 5.719 -1.647 1.00 0.00 O ATOM 843 CB VAL A 54 6.424 2.783 -2.761 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.390 3.006 -4.266 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.848 1.359 -2.435 1.00 0.00 C ATOM 0 H VAL A 54 6.591 3.559 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 54 8.370 3.681 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 54 5.417 2.937 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.717 2.283 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.037 4.015 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.392 2.880 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.170 0.657 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.863 1.190 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.816 1.208 -1.356 1.00 0.00 H new ATOM 855 N HIS A 55 7.409 5.833 -3.399 1.00 0.00 N ATOM 856 CA HIS A 55 7.014 7.187 -3.768 1.00 0.00 C ATOM 857 C HIS A 55 6.302 7.195 -5.118 1.00 0.00 C ATOM 858 O HIS A 55 6.567 6.353 -5.977 1.00 0.00 O ATOM 859 CB HIS A 55 8.236 8.102 -3.818 1.00 0.00 C ATOM 860 CG HIS A 55 8.784 8.444 -2.466 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.669 9.697 -1.902 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.453 7.687 -1.565 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.245 9.696 -0.713 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.727 8.489 -0.484 1.00 0.00 N ATOM 0 H HIS A 55 8.125 5.424 -4.000 1.00 0.00 H new ATOM 0 HA HIS A 55 6.324 7.557 -3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.017 7.620 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.969 9.023 -4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.721 6.647 -1.675 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.310 10.540 -0.042 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.223 8.199 0.359 1.00 0.00 H new ATOM 872 N PHE A 56 5.396 8.151 -5.298 1.00 0.00 N ATOM 873 CA PHE A 56 4.645 8.268 -6.542 1.00 0.00 C ATOM 874 C PHE A 56 4.802 9.662 -7.143 1.00 0.00 C ATOM 875 O PHE A 56 5.072 10.628 -6.431 1.00 0.00 O ATOM 876 CB PHE A 56 3.164 7.968 -6.299 1.00 0.00 C ATOM 877 CG PHE A 56 2.843 6.502 -6.289 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.995 5.753 -5.132 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.389 5.870 -7.436 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.700 4.403 -5.121 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.092 4.521 -7.430 1.00 0.00 C ATOM 882 CZ PHE A 56 2.248 3.786 -6.271 1.00 0.00 C ATOM 0 H PHE A 56 5.164 8.856 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 56 5.044 7.540 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.865 8.404 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.571 8.456 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.348 6.230 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.266 6.439 -8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.823 3.831 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.738 4.041 -8.331 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.017 2.731 -6.264 1.00 0.00 H new ATOM 892 N GLU A 57 4.629 9.756 -8.458 1.00 0.00 N ATOM 893 CA GLU A 57 4.753 11.030 -9.155 1.00 0.00 C ATOM 894 C GLU A 57 3.821 12.076 -8.547 1.00 0.00 C ATOM 895 O GLU A 57 4.087 13.276 -8.618 1.00 0.00 O ATOM 896 CB GLU A 57 4.440 10.856 -10.643 1.00 0.00 C ATOM 897 CG GLU A 57 5.648 11.045 -11.545 1.00 0.00 C ATOM 898 CD GLU A 57 5.981 12.506 -11.775 1.00 0.00 C ATOM 899 OE1 GLU A 57 5.213 13.371 -11.304 1.00 0.00 O ATOM 900 OE2 GLU A 57 7.009 12.785 -12.426 1.00 0.00 O ATOM 0 H GLU A 57 4.403 8.965 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 57 5.781 11.376 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.028 9.860 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.668 11.570 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.509 10.545 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.459 10.564 -12.505 1.00 0.00 H new ATOM 907 N ASP A 58 2.729 11.611 -7.951 1.00 0.00 N ATOM 908 CA ASP A 58 1.758 12.504 -7.330 1.00 0.00 C ATOM 909 C ASP A 58 0.860 11.741 -6.360 1.00 0.00 C ATOM 910 O ASP A 58 1.046 10.545 -6.138 1.00 0.00 O ATOM 911 CB ASP A 58 0.907 13.189 -8.400 1.00 0.00 C ATOM 912 CG ASP A 58 0.919 14.701 -8.269 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.251 15.221 -7.352 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.596 15.362 -9.084 1.00 0.00 O ATOM 0 H ASP A 58 2.494 10.621 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 58 2.305 13.263 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.275 12.910 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.119 12.829 -8.329 1.00 0.00 H new ATOM 919 N ARG A 59 -0.112 12.442 -5.786 1.00 0.00 N ATOM 920 CA ARG A 59 -1.037 11.831 -4.840 1.00 0.00 C ATOM 921 C ARG A 59 -2.090 11.000 -5.566 1.00 0.00 C ATOM 922 O ARG A 59 -2.549 9.978 -5.057 1.00 0.00 O ATOM 923 CB ARG A 59 -1.718 12.908 -3.993 1.00 0.00 C ATOM 924 CG ARG A 59 -2.853 12.378 -3.133 1.00 0.00 C ATOM 925 CD ARG A 59 -4.207 12.820 -3.664 1.00 0.00 C ATOM 926 NE ARG A 59 -4.314 14.274 -3.752 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.236 14.901 -4.475 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.125 14.204 -5.169 1.00 0.00 N ATOM 929 NH2 ARG A 59 -5.268 16.227 -4.504 1.00 0.00 N ATOM 0 H ARG A 59 -0.279 13.433 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.465 11.171 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.974 13.377 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.105 13.686 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.810 11.289 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.730 12.730 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.369 12.385 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.994 12.438 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.644 14.839 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.102 13.184 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.832 14.687 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.585 16.765 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.976 16.708 -5.059 1.00 0.00 H new ATOM 943 N GLY A 60 -2.468 11.446 -6.761 1.00 0.00 N ATOM 944 CA GLY A 60 -3.464 10.732 -7.538 1.00 0.00 C ATOM 945 C GLY A 60 -3.028 9.322 -7.885 1.00 0.00 C ATOM 946 O GLY A 60 -3.858 8.426 -8.031 1.00 0.00 O ATOM 0 H GLY A 60 -2.102 12.289 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.398 10.692 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.667 11.283 -8.457 1.00 0.00 H new ATOM 950 N ALA A 61 -1.720 9.126 -8.021 1.00 0.00 N ATOM 951 CA ALA A 61 -1.175 7.815 -8.354 1.00 0.00 C ATOM 952 C ALA A 61 -1.072 6.933 -7.115 1.00 0.00 C ATOM 953 O ALA A 61 -1.088 5.706 -7.212 1.00 0.00 O ATOM 954 CB ALA A 61 0.188 7.964 -9.014 1.00 0.00 C ATOM 0 H ALA A 61 -1.019 9.858 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.856 7.332 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.584 6.978 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.088 8.551 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.870 8.470 -8.331 1.00 0.00 H new ATOM 960 N ALA A 62 -0.967 7.565 -5.951 1.00 0.00 N ATOM 961 CA ALA A 62 -0.864 6.838 -4.692 1.00 0.00 C ATOM 962 C ALA A 62 -2.239 6.404 -4.194 1.00 0.00 C ATOM 963 O ALA A 62 -2.417 5.275 -3.737 1.00 0.00 O ATOM 964 CB ALA A 62 -0.166 7.691 -3.644 1.00 0.00 C ATOM 0 H ALA A 62 -0.951 8.580 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.270 5.941 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.097 7.135 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.836 7.945 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.736 8.605 -3.480 1.00 0.00 H new ATOM 970 N VAL A 63 -3.208 7.309 -4.283 1.00 0.00 N ATOM 971 CA VAL A 63 -4.567 7.020 -3.842 1.00 0.00 C ATOM 972 C VAL A 63 -5.217 5.959 -4.723 1.00 0.00 C ATOM 973 O VAL A 63 -5.692 4.935 -4.233 1.00 0.00 O ATOM 974 CB VAL A 63 -5.442 8.287 -3.852 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.862 7.960 -3.419 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.837 9.360 -2.960 1.00 0.00 C ATOM 0 H VAL A 63 -3.077 8.249 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.495 6.646 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.479 8.673 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.465 8.868 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.292 7.229 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.849 7.548 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.469 10.248 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.767 8.987 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.841 9.615 -3.322 1.00 0.00 H new ATOM 986 N LYS A 64 -5.235 6.210 -6.028 1.00 0.00 N ATOM 987 CA LYS A 64 -5.825 5.277 -6.979 1.00 0.00 C ATOM 988 C LYS A 64 -5.213 3.888 -6.830 1.00 0.00 C ATOM 989 O LYS A 64 -5.870 2.879 -7.085 1.00 0.00 O ATOM 990 CB LYS A 64 -5.626 5.783 -8.411 1.00 0.00 C ATOM 991 CG LYS A 64 -6.338 4.942 -9.457 1.00 0.00 C ATOM 992 CD LYS A 64 -5.405 4.559 -10.593 1.00 0.00 C ATOM 993 CE LYS A 64 -6.080 3.612 -11.574 1.00 0.00 C ATOM 994 NZ LYS A 64 -7.078 4.317 -12.426 1.00 0.00 N ATOM 0 H LYS A 64 -4.847 7.053 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.892 5.209 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.984 6.810 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.560 5.802 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.735 4.040 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.188 5.497 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.081 5.458 -11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.510 4.087 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.325 3.147 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.573 2.810 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.516 3.638 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.812 4.740 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.603 5.066 -12.970 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.952 3.843 -6.414 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.253 2.578 -6.227 1.00 0.00 C ATOM 1010 C ALA A 65 -3.605 1.950 -4.882 1.00 0.00 C ATOM 1011 O ALA A 65 -4.173 0.859 -4.827 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.750 2.784 -6.338 1.00 0.00 C ATOM 0 H ALA A 65 -3.393 4.669 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.574 1.894 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.241 1.831 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.509 3.181 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.422 3.488 -5.573 1.00 0.00 H new ATOM 1018 N MET A 66 -3.263 2.645 -3.802 1.00 0.00 N ATOM 1019 CA MET A 66 -3.544 2.154 -2.458 1.00 0.00 C ATOM 1020 C MET A 66 -5.014 1.771 -2.315 1.00 0.00 C ATOM 1021 O MET A 66 -5.360 0.876 -1.542 1.00 0.00 O ATOM 1022 CB MET A 66 -3.178 3.215 -1.418 1.00 0.00 C ATOM 1023 CG MET A 66 -3.639 2.869 -0.011 1.00 0.00 C ATOM 1024 SD MET A 66 -5.128 3.764 0.472 1.00 0.00 S ATOM 1025 CE MET A 66 -4.544 5.456 0.403 1.00 0.00 C ATOM 0 H MET A 66 -2.791 3.549 -3.831 1.00 0.00 H new ATOM 0 HA MET A 66 -2.937 1.265 -2.289 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.097 3.351 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.618 4.168 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.827 1.797 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.839 3.094 0.695 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.180 6.086 1.025 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.518 5.502 0.769 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.578 5.811 -0.627 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.874 2.452 -3.064 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.306 2.181 -3.022 1.00 0.00 C ATOM 1037 C ASP A 67 -7.594 0.721 -3.361 1.00 0.00 C ATOM 1038 O ASP A 67 -8.289 0.029 -2.618 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.049 3.099 -3.994 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.641 4.313 -3.305 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -7.868 5.097 -2.717 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.879 4.479 -3.354 1.00 0.00 O ATOM 0 H ASP A 67 -5.604 3.196 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.658 2.376 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.364 3.427 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.845 2.538 -4.483 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.056 0.264 -4.487 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.258 -1.113 -4.923 1.00 0.00 C ATOM 1049 C GLU A 68 -6.296 -2.057 -4.208 1.00 0.00 C ATOM 1050 O GLU A 68 -6.698 -3.108 -3.708 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.067 -1.224 -6.438 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.969 -0.296 -7.234 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.376 -0.838 -7.387 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.883 -1.450 -6.424 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.971 -0.649 -8.469 1.00 0.00 O ATOM 0 H GLU A 68 -6.478 0.825 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.278 -1.402 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.028 -1.004 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.256 -2.253 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.010 0.675 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.537 -0.135 -8.222 1.00 0.00 H new ATOM 1062 N MET A 69 -5.024 -1.675 -4.166 1.00 0.00 N ATOM 1063 CA MET A 69 -4.004 -2.487 -3.511 1.00 0.00 C ATOM 1064 C MET A 69 -4.426 -2.849 -2.091 1.00 0.00 C ATOM 1065 O MET A 69 -4.136 -3.941 -1.606 1.00 0.00 O ATOM 1066 CB MET A 69 -2.668 -1.742 -3.485 1.00 0.00 C ATOM 1067 CG MET A 69 -2.079 -1.501 -4.865 1.00 0.00 C ATOM 1068 SD MET A 69 -1.636 -3.032 -5.709 1.00 0.00 S ATOM 1069 CE MET A 69 -0.366 -3.665 -4.616 1.00 0.00 C ATOM 0 H MET A 69 -4.675 -0.809 -4.577 1.00 0.00 H new ATOM 0 HA MET A 69 -3.887 -3.408 -4.082 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.806 -0.783 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.955 -2.312 -2.889 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.799 -0.951 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.193 -0.872 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.560 -3.800 -5.174 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.200 -2.958 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.684 -4.623 -4.205 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.112 -1.923 -1.428 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.573 -2.145 -0.062 1.00 0.00 C ATOM 1081 C ASN A 70 -6.344 -3.457 0.046 1.00 0.00 C ATOM 1082 O ASN A 70 -7.494 -3.550 -0.382 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.456 -0.982 0.395 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.297 -1.337 1.607 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.819 -1.301 2.740 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.558 -1.681 1.371 1.00 0.00 N ATOM 0 H ASN A 70 -5.361 -1.012 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.698 -2.205 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.828 -0.123 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.111 -0.683 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.173 -1.929 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.912 -1.697 0.414 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.701 -4.469 0.621 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.342 -5.762 0.776 1.00 0.00 C ATOM 1095 C GLY A 71 -6.038 -6.701 -0.375 1.00 0.00 C ATOM 1096 O GLY A 71 -6.928 -7.386 -0.881 1.00 0.00 O ATOM 0 H GLY A 71 -4.748 -4.417 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.013 -6.218 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.420 -5.623 0.852 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.776 -6.733 -0.792 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.354 -7.595 -1.890 1.00 0.00 C ATOM 1102 C LYS A 72 -3.492 -8.744 -1.380 1.00 0.00 C ATOM 1103 O LYS A 72 -3.029 -8.726 -0.239 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.580 -6.785 -2.932 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.436 -6.311 -4.094 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.858 -7.467 -4.985 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.842 -7.719 -6.088 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.168 -9.039 -5.932 1.00 0.00 N ATOM 0 H LYS A 72 -4.028 -6.171 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.247 -8.014 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.131 -5.919 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.762 -7.393 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.322 -5.804 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.880 -5.581 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.974 -8.368 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.831 -7.251 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.340 -7.678 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.094 -6.926 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.483 -9.172 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.671 -9.069 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.879 -9.798 -5.965 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.278 -9.741 -2.233 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.469 -10.898 -1.867 1.00 0.00 C ATOM 1124 C GLU A 73 -1.217 -10.984 -2.735 1.00 0.00 C ATOM 1125 O GLU A 73 -1.286 -11.353 -3.907 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.287 -12.184 -2.005 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.461 -13.450 -1.852 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.302 -14.709 -1.927 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.951 -14.929 -2.970 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.312 -15.475 -0.939 1.00 0.00 O ATOM 0 H GLU A 73 -3.653 -9.771 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.162 -10.780 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.078 -12.184 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.773 -12.193 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.700 -13.479 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.937 -13.424 -0.896 1.00 0.00 H new ATOM 1137 N ILE A 74 -0.075 -10.637 -2.151 1.00 0.00 N ATOM 1138 CA ILE A 74 1.193 -10.675 -2.870 1.00 0.00 C ATOM 1139 C ILE A 74 2.090 -11.790 -2.345 1.00 0.00 C ATOM 1140 O ILE A 74 2.343 -11.883 -1.144 1.00 0.00 O ATOM 1141 CB ILE A 74 1.942 -9.333 -2.760 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.052 -8.185 -3.239 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.233 -9.381 -3.563 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.657 -6.818 -3.016 1.00 0.00 C ATOM 0 H ILE A 74 -0.002 -10.326 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 74 0.957 -10.866 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 74 2.193 -9.159 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.847 -8.314 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.094 -8.238 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.751 -8.426 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.871 -10.177 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.003 -9.575 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.971 -6.053 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.836 -6.669 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.601 -6.745 -3.556 1.00 0.00 H new ATOM 1156 N GLU A 75 2.569 -12.634 -3.254 1.00 0.00 N ATOM 1157 CA GLU A 75 3.440 -13.742 -2.881 1.00 0.00 C ATOM 1158 C GLU A 75 2.806 -14.585 -1.778 1.00 0.00 C ATOM 1159 O GLU A 75 3.497 -15.096 -0.897 1.00 0.00 O ATOM 1160 CB GLU A 75 4.801 -13.219 -2.420 1.00 0.00 C ATOM 1161 CG GLU A 75 5.976 -14.018 -2.958 1.00 0.00 C ATOM 1162 CD GLU A 75 6.201 -13.798 -4.442 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.753 -12.754 -4.960 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.824 -14.669 -5.084 1.00 0.00 O ATOM 0 H GLU A 75 2.369 -12.571 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 75 3.581 -14.371 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.906 -12.180 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.834 -13.229 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.878 -13.742 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.804 -15.078 -2.774 1.00 0.00 H new ATOM 1171 N GLY A 76 1.485 -14.725 -1.833 1.00 0.00 N ATOM 1172 CA GLY A 76 0.780 -15.505 -0.833 1.00 0.00 C ATOM 1173 C GLY A 76 0.938 -14.937 0.563 1.00 0.00 C ATOM 1174 O GLY A 76 0.818 -15.661 1.552 1.00 0.00 O ATOM 0 H GLY A 76 0.891 -14.312 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.279 -15.545 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.150 -16.530 -0.849 1.00 0.00 H new ATOM 1178 N GLU A 77 1.209 -13.638 0.645 1.00 0.00 N ATOM 1179 CA GLU A 77 1.386 -12.976 1.932 1.00 0.00 C ATOM 1180 C GLU A 77 0.392 -11.829 2.095 1.00 0.00 C ATOM 1181 O GLU A 77 0.188 -11.036 1.176 1.00 0.00 O ATOM 1182 CB GLU A 77 2.817 -12.447 2.065 1.00 0.00 C ATOM 1183 CG GLU A 77 3.809 -13.493 2.546 1.00 0.00 C ATOM 1184 CD GLU A 77 3.785 -13.672 4.052 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.374 -12.829 4.758 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.176 -14.655 4.522 1.00 0.00 O ATOM 0 H GLU A 77 1.311 -13.024 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 77 1.201 -13.709 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.145 -12.064 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.822 -11.607 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.586 -14.447 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.813 -13.206 2.234 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.224 -11.750 3.270 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.198 -10.702 3.552 1.00 0.00 C ATOM 1195 C GLU A 78 -0.512 -9.346 3.692 1.00 0.00 C ATOM 1196 O GLU A 78 0.061 -9.033 4.737 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.974 -11.028 4.831 1.00 0.00 C ATOM 1198 CG GLU A 78 -2.963 -12.169 4.667 1.00 0.00 C ATOM 1199 CD GLU A 78 -3.898 -12.306 5.853 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.886 -11.545 5.922 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -3.640 -13.174 6.713 1.00 0.00 O ATOM 0 H GLU A 78 -0.066 -12.398 4.041 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.895 -10.653 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.267 -11.282 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.510 -10.137 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.550 -12.009 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.416 -13.102 4.531 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.574 -8.546 2.634 1.00 0.00 N ATOM 1209 CA ILE A 79 0.039 -7.224 2.638 1.00 0.00 C ATOM 1210 C ILE A 79 -0.948 -6.161 3.112 1.00 0.00 C ATOM 1211 O ILE A 79 -2.101 -6.137 2.683 1.00 0.00 O ATOM 1212 CB ILE A 79 0.558 -6.839 1.241 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.578 -6.895 0.217 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.697 -7.759 0.827 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.888 -5.557 -0.416 1.00 0.00 C ATOM 0 H ILE A 79 -1.043 -8.790 1.762 1.00 0.00 H new ATOM 0 HA ILE A 79 0.881 -7.270 3.329 1.00 0.00 H new ATOM 0 HB ILE A 79 0.937 -5.818 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.315 -7.606 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.477 -7.274 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.053 -7.474 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.513 -7.674 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.342 -8.789 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.703 -5.673 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.182 -4.848 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.003 -5.185 -0.932 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.485 -5.285 3.998 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.327 -4.219 4.528 1.00 0.00 C ATOM 1229 C GLU A 80 -0.916 -2.865 3.958 1.00 0.00 C ATOM 1230 O GLU A 80 0.228 -2.676 3.544 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.246 -4.187 6.056 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.590 -3.977 6.733 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.473 -3.869 8.241 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.359 -3.591 8.732 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.496 -4.061 8.930 1.00 0.00 O ATOM 0 H GLU A 80 0.467 -5.292 4.363 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.355 -4.422 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.814 -5.124 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.568 -3.389 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.052 -3.070 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.252 -4.805 6.482 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.857 -1.927 3.938 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.593 -0.590 3.420 1.00 0.00 C ATOM 1244 C ILE A 81 -2.309 0.471 4.247 1.00 0.00 C ATOM 1245 O ILE A 81 -3.498 0.349 4.539 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.030 -0.461 1.949 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.482 -1.629 1.126 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.563 0.866 1.372 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.895 -1.591 -0.329 1.00 0.00 C ATOM 0 H ILE A 81 -2.809 -2.068 4.275 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.517 -0.432 3.486 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.119 -0.491 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.394 -1.626 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.823 -2.565 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.880 0.942 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.998 1.685 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.476 0.924 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.470 -2.449 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.982 -1.625 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.530 -0.671 -0.787 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.577 1.517 4.618 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.142 2.604 5.410 1.00 0.00 C ATOM 1263 C VAL A 82 -1.523 3.943 5.024 1.00 0.00 C ATOM 1264 O VAL A 82 -0.326 4.030 4.748 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.933 2.368 6.917 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.572 1.056 7.347 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.450 2.384 7.258 1.00 0.00 C ATOM 0 H VAL A 82 -0.591 1.635 4.383 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.211 2.627 5.200 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.418 3.177 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.414 0.907 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.642 1.087 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.119 0.233 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.321 2.216 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.060 1.597 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.025 3.351 6.989 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.346 4.985 5.010 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.880 6.323 4.659 1.00 0.00 C ATOM 1279 C LEU A 83 -0.813 6.802 5.639 1.00 0.00 C ATOM 1280 O LEU A 83 -1.059 6.894 6.842 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.052 7.305 4.642 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.799 7.437 3.315 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.085 8.226 3.502 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.913 8.099 2.269 1.00 0.00 C ATOM 0 H LEU A 83 -3.339 4.930 5.237 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.439 6.278 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.765 7.002 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.679 8.289 4.925 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.058 6.438 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.603 8.309 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.726 7.712 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.849 9.223 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.460 8.185 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.624 9.092 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.019 7.494 2.114 1.00 0.00 H new ATOM 1296 N ALA A 84 0.369 7.108 5.116 1.00 0.00 N ATOM 1297 CA ALA A 84 1.471 7.582 5.944 1.00 0.00 C ATOM 1298 C ALA A 84 1.393 9.090 6.150 1.00 0.00 C ATOM 1299 O ALA A 84 1.759 9.868 5.268 1.00 0.00 O ATOM 1300 CB ALA A 84 2.804 7.201 5.317 1.00 0.00 C ATOM 0 H ALA A 84 0.588 7.036 4.122 1.00 0.00 H new ATOM 0 HA ALA A 84 1.391 7.104 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.618 7.561 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.867 6.117 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.883 7.652 4.328 1.00 0.00 H new ATOM 1306 N LYS A 85 0.913 9.499 7.320 1.00 0.00 N ATOM 1307 CA LYS A 85 0.787 10.916 7.642 1.00 0.00 C ATOM 1308 C LYS A 85 2.131 11.499 8.064 1.00 0.00 C ATOM 1309 O LYS A 85 2.995 10.806 8.603 1.00 0.00 O ATOM 1310 CB LYS A 85 -0.240 11.115 8.760 1.00 0.00 C ATOM 1311 CG LYS A 85 0.113 10.391 10.047 1.00 0.00 C ATOM 1312 CD LYS A 85 -1.085 9.648 10.614 1.00 0.00 C ATOM 1313 CE LYS A 85 -1.150 9.769 12.129 1.00 0.00 C ATOM 1314 NZ LYS A 85 0.139 9.392 12.772 1.00 0.00 N ATOM 0 H LYS A 85 0.605 8.869 8.061 1.00 0.00 H new ATOM 0 HA LYS A 85 0.449 11.439 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.337 12.181 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.213 10.768 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.924 9.687 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.478 11.109 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.001 10.045 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.028 8.596 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.405 10.793 12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.946 9.130 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.027 9.159 13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.541 8.565 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.805 10.189 12.708 1.00 0.00 H new ATOM 1328 N PRO A 86 2.315 12.805 7.815 1.00 0.00 N ATOM 1329 CA PRO A 86 3.552 13.511 8.163 1.00 0.00 C ATOM 1330 C PRO A 86 3.723 13.673 9.670 1.00 0.00 C ATOM 1331 O PRO A 86 2.798 13.448 10.451 1.00 0.00 O ATOM 1332 CB PRO A 86 3.381 14.877 7.493 1.00 0.00 C ATOM 1333 CG PRO A 86 1.907 15.063 7.387 1.00 0.00 C ATOM 1334 CD PRO A 86 1.329 13.692 7.177 1.00 0.00 C ATOM 0 HA PRO A 86 4.438 12.968 7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.839 15.669 8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.855 14.899 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.506 15.521 8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.656 15.723 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.345 13.596 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.210 13.464 6.118 1.00 0.00 H new ATOM 1342 N PRO A 87 4.932 14.074 10.089 1.00 0.00 N ATOM 1343 CA PRO A 87 5.251 14.277 11.505 1.00 0.00 C ATOM 1344 C PRO A 87 4.538 15.490 12.092 1.00 0.00 C ATOM 1345 O PRO A 87 4.412 15.618 13.310 1.00 0.00 O ATOM 1346 CB PRO A 87 6.766 14.499 11.499 1.00 0.00 C ATOM 1347 CG PRO A 87 7.067 15.021 10.136 1.00 0.00 C ATOM 1348 CD PRO A 87 6.080 14.361 9.212 1.00 0.00 C ATOM 0 HA PRO A 87 4.932 13.435 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.065 15.209 12.270 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.303 13.571 11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 87 6.967 16.106 10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.091 14.786 9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.801 15.016 8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.488 13.451 8.772 1.00 0.00 H new ATOM 1356 N ASP A 88 4.073 16.377 11.219 1.00 0.00 N ATOM 1357 CA ASP A 88 3.370 17.579 11.652 1.00 0.00 C ATOM 1358 C ASP A 88 4.272 18.455 12.514 1.00 0.00 C ATOM 1359 O ASP A 88 5.429 18.117 12.765 1.00 0.00 O ATOM 1360 CB ASP A 88 2.107 17.205 12.430 1.00 0.00 C ATOM 1361 CG ASP A 88 0.845 17.733 11.775 1.00 0.00 C ATOM 1362 OD1 ASP A 88 0.785 17.744 10.528 1.00 0.00 O ATOM 1363 OD2 ASP A 88 -0.080 18.135 12.511 1.00 0.00 O ATOM 0 H ASP A 88 4.170 16.286 10.208 1.00 0.00 H new ATOM 0 HA ASP A 88 3.086 18.144 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.043 16.120 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.179 17.599 13.444 1.00 0.00 H new ATOM 1368 N LYS A 89 3.738 19.586 12.963 1.00 0.00 N ATOM 1369 CA LYS A 89 4.494 20.513 13.796 1.00 0.00 C ATOM 1370 C LYS A 89 4.333 20.171 15.274 1.00 0.00 C ATOM 1371 O LYS A 89 3.387 20.617 15.926 1.00 0.00 O ATOM 1372 CB LYS A 89 4.035 21.950 13.542 1.00 0.00 C ATOM 1373 CG LYS A 89 4.522 22.520 12.221 1.00 0.00 C ATOM 1374 CD LYS A 89 5.909 23.127 12.354 1.00 0.00 C ATOM 1375 CE LYS A 89 6.021 24.435 11.586 1.00 0.00 C ATOM 1376 NZ LYS A 89 7.106 25.303 12.124 1.00 0.00 N ATOM 0 H LYS A 89 2.783 19.883 12.763 1.00 0.00 H new ATOM 0 HA LYS A 89 5.548 20.423 13.532 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.946 21.984 13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.389 22.585 14.354 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.539 21.732 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.823 23.280 11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.131 23.302 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.653 22.422 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.213 24.223 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.071 24.968 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.150 26.185 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.910 25.526 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.016 24.805 12.053 1.00 0.00 H new ATOM 1390 N LYS A 90 5.261 19.378 15.798 1.00 0.00 N ATOM 1391 CA LYS A 90 5.225 18.978 17.200 1.00 0.00 C ATOM 1392 C LYS A 90 6.035 19.942 18.061 1.00 0.00 C ATOM 1393 O LYS A 90 7.252 20.050 17.911 1.00 0.00 O ATOM 1394 CB LYS A 90 5.767 17.556 17.359 1.00 0.00 C ATOM 1395 CG LYS A 90 5.020 16.733 18.395 1.00 0.00 C ATOM 1396 CD LYS A 90 4.388 15.498 17.775 1.00 0.00 C ATOM 1397 CE LYS A 90 3.234 15.865 16.854 1.00 0.00 C ATOM 1398 NZ LYS A 90 2.390 14.683 16.525 1.00 0.00 N ATOM 0 H LYS A 90 6.049 18.999 15.272 1.00 0.00 H new ATOM 0 HA LYS A 90 4.188 19.004 17.534 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.716 17.047 16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.820 17.606 17.637 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.706 16.433 19.187 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.246 17.345 18.859 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.141 14.945 17.214 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.029 14.837 18.564 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.619 16.629 17.329 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.627 16.298 15.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.615 14.974 15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.971 13.963 16.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.994 14.285 17.400 1.00 0.00 H new ATOM 1412 N ARG A 91 5.351 20.638 18.964 1.00 0.00 N ATOM 1413 CA ARG A 91 6.008 21.591 19.850 1.00 0.00 C ATOM 1414 C ARG A 91 6.295 20.962 21.211 1.00 0.00 C ATOM 1415 O ARG A 91 5.991 19.791 21.440 1.00 0.00 O ATOM 1416 CB ARG A 91 5.140 22.838 20.026 1.00 0.00 C ATOM 1417 CG ARG A 91 5.898 24.141 19.835 1.00 0.00 C ATOM 1418 CD ARG A 91 5.373 25.231 20.756 1.00 0.00 C ATOM 1419 NE ARG A 91 4.753 26.324 20.011 1.00 0.00 N ATOM 1420 CZ ARG A 91 5.443 27.251 19.355 1.00 0.00 C ATOM 1421 NH1 ARG A 91 6.768 27.215 19.349 1.00 0.00 N ATOM 1422 NH2 ARG A 91 4.807 28.214 18.700 1.00 0.00 N ATOM 0 H ARG A 91 4.343 20.560 19.101 1.00 0.00 H new ATOM 0 HA ARG A 91 6.956 21.877 19.395 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.316 22.800 19.314 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.700 22.826 21.023 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.958 23.978 20.029 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.810 24.466 18.798 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.645 24.804 21.446 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.192 25.622 21.359 1.00 0.00 H new ATOM 0 HE ARG A 91 3.735 26.379 19.993 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.260 26.475 19.849 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.295 27.928 18.845 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.787 28.243 18.700 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.338 28.925 18.197 1.00 0.00 H new ATOM 1436 N SER A 92 6.880 21.748 22.109 1.00 0.00 N ATOM 1437 CA SER A 92 7.211 21.266 23.445 1.00 0.00 C ATOM 1438 C SER A 92 6.533 22.119 24.514 1.00 0.00 C ATOM 1439 O SER A 92 6.606 23.347 24.483 1.00 0.00 O ATOM 1440 CB SER A 92 8.727 21.278 23.654 1.00 0.00 C ATOM 1441 OG SER A 92 9.412 21.313 22.413 1.00 0.00 O ATOM 0 H SER A 92 7.134 22.721 21.936 1.00 0.00 H new ATOM 0 HA SER A 92 6.847 20.243 23.535 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.008 22.144 24.253 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.027 20.392 24.214 1.00 0.00 H new ATOM 0 HG SER A 92 10.379 21.322 22.573 1.00 0.00 H new ATOM 1447 N GLY A 93 5.871 21.456 25.458 1.00 0.00 N ATOM 1448 CA GLY A 93 5.188 22.168 26.523 1.00 0.00 C ATOM 1449 C GLY A 93 5.957 22.136 27.828 1.00 0.00 C ATOM 1450 O GLY A 93 7.065 21.605 27.907 1.00 0.00 O ATOM 0 H GLY A 93 5.796 20.440 25.504 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.033 23.204 26.222 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.202 21.729 26.675 1.00 0.00 H new ATOM 1454 N PRO A 94 5.367 22.719 28.882 1.00 0.00 N ATOM 1455 CA PRO A 94 5.988 22.769 30.208 1.00 0.00 C ATOM 1456 C PRO A 94 6.045 21.399 30.874 1.00 0.00 C ATOM 1457 O PRO A 94 5.411 20.448 30.417 1.00 0.00 O ATOM 1458 CB PRO A 94 5.068 23.707 30.995 1.00 0.00 C ATOM 1459 CG PRO A 94 3.747 23.600 30.316 1.00 0.00 C ATOM 1460 CD PRO A 94 4.048 23.372 28.860 1.00 0.00 C ATOM 0 HA PRO A 94 7.024 23.105 30.160 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.000 23.409 32.041 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.440 24.732 30.979 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.162 22.777 30.727 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.161 24.509 30.456 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.295 22.741 28.388 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.073 24.309 28.303 1.00 0.00 H new ATOM 1468 N SER A 95 6.810 21.304 31.957 1.00 0.00 N ATOM 1469 CA SER A 95 6.953 20.047 32.684 1.00 0.00 C ATOM 1470 C SER A 95 6.429 20.182 34.110 1.00 0.00 C ATOM 1471 O SER A 95 5.826 19.255 34.652 1.00 0.00 O ATOM 1472 CB SER A 95 8.419 19.611 32.707 1.00 0.00 C ATOM 1473 OG SER A 95 8.534 18.217 32.931 1.00 0.00 O ATOM 0 H SER A 95 7.340 22.082 32.350 1.00 0.00 H new ATOM 0 HA SER A 95 6.364 19.289 32.169 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.893 19.871 31.761 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.950 20.153 33.489 1.00 0.00 H new ATOM 0 HG SER A 95 9.481 17.964 32.940 1.00 0.00 H new ATOM 1479 N SER A 96 6.661 21.344 34.712 1.00 0.00 N ATOM 1480 CA SER A 96 6.216 21.600 36.077 1.00 0.00 C ATOM 1481 C SER A 96 6.790 20.565 37.040 1.00 0.00 C ATOM 1482 O SER A 96 6.218 19.493 37.229 1.00 0.00 O ATOM 1483 CB SER A 96 4.687 21.586 36.149 1.00 0.00 C ATOM 1484 OG SER A 96 4.177 22.884 36.400 1.00 0.00 O ATOM 0 H SER A 96 7.154 22.123 34.276 1.00 0.00 H new ATOM 0 HA SER A 96 6.578 22.585 36.371 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.279 21.206 35.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.363 20.906 36.937 1.00 0.00 H new ATOM 0 HG SER A 96 3.198 22.849 36.440 1.00 0.00 H new ATOM 1490 N GLY A 97 7.927 20.895 37.644 1.00 0.00 N ATOM 1491 CA GLY A 97 8.562 19.985 38.580 1.00 0.00 C ATOM 1492 C GLY A 97 10.008 20.348 38.852 1.00 0.00 C ATOM 1493 O GLY A 97 10.529 21.314 38.293 1.00 0.00 O ATOM 0 H GLY A 97 8.420 21.776 37.502 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.007 19.988 39.518 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.514 18.970 38.185 1.00 0.00 H new TER 1497 GLY A 97