USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 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 13 CYS SG : rot 180:sc= -0.0608 USER MOD Set 1.2: A 17 MET CE :methyl -118:sc= -1.56 (180deg=-2.48) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0081 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0191 X(o=0.019,f=0) USER MOD Single : A 29 TYR OH : rot 26:sc= 0.128 USER MOD Single : A 33 MET CE :methyl -169:sc= 0 (180deg=-0.0213) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -93:sc= 0.0006 USER MOD Single : A 71 HIS : no HE2:sc= 0.183 K(o=0.18,f=-0.67) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.759 6.382 0.288 1.00 0.00 N ATOM 60 CA GLY A 7 -4.605 5.625 0.737 1.00 0.00 C ATOM 61 C GLY A 7 -4.944 4.660 1.856 1.00 0.00 C ATOM 62 O GLY A 7 -5.748 4.974 2.734 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.189 5.070 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.832 6.314 1.077 1.00 0.00 H new ATOM 66 N VAL A 8 -4.330 3.481 1.824 1.00 0.00 N ATOM 67 CA VAL A 8 -4.572 2.466 2.842 1.00 0.00 C ATOM 68 C VAL A 8 -3.273 1.783 3.257 1.00 0.00 C ATOM 69 O VAL A 8 -2.226 1.992 2.643 1.00 0.00 O ATOM 70 CB VAL A 8 -5.565 1.398 2.347 1.00 0.00 C ATOM 71 CG1 VAL A 8 -6.985 1.941 2.363 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.183 0.923 0.953 1.00 0.00 C ATOM 0 H VAL A 8 -3.662 3.206 1.104 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.001 2.978 3.703 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.521 0.544 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.672 1.172 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.253 2.229 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.049 2.812 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.895 0.169 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.198 1.767 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.182 0.492 0.977 1.00 0.00 H new ATOM 82 N PHE A 9 -3.348 0.966 4.302 1.00 0.00 N ATOM 83 CA PHE A 9 -2.178 0.252 4.799 1.00 0.00 C ATOM 84 C PHE A 9 -2.347 -1.255 4.628 1.00 0.00 C ATOM 85 O PHE A 9 -3.106 -1.893 5.359 1.00 0.00 O ATOM 86 CB PHE A 9 -1.939 0.586 6.273 1.00 0.00 C ATOM 87 CG PHE A 9 -1.690 2.046 6.524 1.00 0.00 C ATOM 88 CD1 PHE A 9 -2.696 2.978 6.321 1.00 0.00 C ATOM 89 CD2 PHE A 9 -0.453 2.486 6.963 1.00 0.00 C ATOM 90 CE1 PHE A 9 -2.469 4.322 6.551 1.00 0.00 C ATOM 91 CE2 PHE A 9 -0.220 3.829 7.195 1.00 0.00 C ATOM 92 CZ PHE A 9 -1.231 4.748 6.989 1.00 0.00 C ATOM 0 H PHE A 9 -4.207 0.782 4.821 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.314 0.571 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.804 0.268 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.085 0.013 6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.667 2.651 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.340 1.771 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.260 5.039 6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.750 4.159 7.536 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.053 5.798 7.170 1.00 0.00 H new ATOM 102 N VAL A 10 -1.635 -1.818 3.657 1.00 0.00 N ATOM 103 CA VAL A 10 -1.706 -3.250 3.390 1.00 0.00 C ATOM 104 C VAL A 10 -0.934 -4.043 4.438 1.00 0.00 C ATOM 105 O VAL A 10 0.193 -4.476 4.199 1.00 0.00 O ATOM 106 CB VAL A 10 -1.149 -3.588 1.993 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.679 -4.932 1.519 1.00 0.00 C ATOM 108 CG2 VAL A 10 -1.497 -2.487 1.002 1.00 0.00 C ATOM 0 H VAL A 10 -1.003 -1.305 3.043 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.759 -3.528 3.431 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.063 -3.656 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.275 -5.154 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.375 -5.710 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.767 -4.896 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.097 -2.741 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.580 -2.385 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.064 -1.545 1.338 1.00 0.00 H new ATOM 118 N GLY A 11 -1.548 -4.231 5.602 1.00 0.00 N ATOM 119 CA GLY A 11 -0.904 -4.973 6.670 1.00 0.00 C ATOM 120 C GLY A 11 -0.849 -6.461 6.390 1.00 0.00 C ATOM 121 O GLY A 11 -1.304 -6.920 5.342 1.00 0.00 O ATOM 0 H GLY A 11 -2.480 -3.882 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.109 -4.595 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.441 -4.801 7.603 1.00 0.00 H new ATOM 125 N ARG A 12 -0.289 -7.218 7.329 1.00 0.00 N ATOM 126 CA ARG A 12 -0.173 -8.663 7.177 1.00 0.00 C ATOM 127 C ARG A 12 0.482 -9.019 5.846 1.00 0.00 C ATOM 128 O ARG A 12 0.172 -10.049 5.245 1.00 0.00 O ATOM 129 CB ARG A 12 -1.552 -9.319 7.270 1.00 0.00 C ATOM 130 CG ARG A 12 -1.932 -9.743 8.680 1.00 0.00 C ATOM 131 CD ARG A 12 -1.905 -11.255 8.832 1.00 0.00 C ATOM 132 NE ARG A 12 -0.636 -11.729 9.380 1.00 0.00 N ATOM 133 CZ ARG A 12 -0.349 -11.726 10.676 1.00 0.00 C ATOM 134 NH1 ARG A 12 -1.236 -11.278 11.555 1.00 0.00 N ATOM 135 NH2 ARG A 12 0.828 -12.172 11.097 1.00 0.00 N ATOM 0 H ARG A 12 0.091 -6.854 8.203 1.00 0.00 H new ATOM 0 HA ARG A 12 0.456 -9.039 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.302 -8.623 6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.574 -10.193 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.244 -9.292 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.928 -9.370 8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.721 -11.568 9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.076 -11.720 7.861 1.00 0.00 H new ATOM 0 HE ARG A 12 0.068 -12.081 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.142 -10.934 11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.012 -11.277 12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.513 -12.517 10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.048 -12.169 12.093 1.00 0.00 H new ATOM 149 N CYS A 13 1.388 -8.161 5.391 1.00 0.00 N ATOM 150 CA CYS A 13 2.087 -8.384 4.130 1.00 0.00 C ATOM 151 C CYS A 13 3.510 -8.875 4.377 1.00 0.00 C ATOM 152 O CYS A 13 3.958 -8.969 5.520 1.00 0.00 O ATOM 153 CB CYS A 13 2.115 -7.097 3.303 1.00 0.00 C ATOM 154 SG CYS A 13 1.621 -7.317 1.578 1.00 0.00 S ATOM 0 H CYS A 13 1.656 -7.305 5.876 1.00 0.00 H new ATOM 0 HA CYS A 13 1.548 -9.152 3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.455 -6.365 3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.122 -6.682 3.331 1.00 0.00 H new ATOM 0 HG CYS A 13 1.675 -6.173 0.962 1.00 0.00 H new ATOM 160 N THR A 14 4.217 -9.191 3.295 1.00 0.00 N ATOM 161 CA THR A 14 5.588 -9.676 3.394 1.00 0.00 C ATOM 162 C THR A 14 6.530 -8.841 2.534 1.00 0.00 C ATOM 163 O THR A 14 6.159 -8.387 1.452 1.00 0.00 O ATOM 164 CB THR A 14 5.694 -11.152 2.967 1.00 0.00 C ATOM 165 OG1 THR A 14 7.047 -11.603 3.094 1.00 0.00 O ATOM 166 CG2 THR A 14 5.226 -11.335 1.531 1.00 0.00 C ATOM 0 H THR A 14 3.862 -9.120 2.341 1.00 0.00 H new ATOM 0 HA THR A 14 5.880 -9.586 4.440 1.00 0.00 H new ATOM 0 HB THR A 14 5.052 -11.743 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.105 -12.543 2.822 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.310 -12.385 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.187 -11.018 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.846 -10.732 0.867 1.00 0.00 H new ATOM 174 N GLY A 15 7.751 -8.642 3.021 1.00 0.00 N ATOM 175 CA GLY A 15 8.727 -7.862 2.284 1.00 0.00 C ATOM 176 C GLY A 15 9.064 -8.477 0.940 1.00 0.00 C ATOM 177 O GLY A 15 9.175 -7.771 -0.063 1.00 0.00 O ATOM 0 H GLY A 15 8.082 -9.008 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.342 -6.853 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.637 -7.770 2.877 1.00 0.00 H new ATOM 181 N ASP A 16 9.229 -9.795 0.919 1.00 0.00 N ATOM 182 CA ASP A 16 9.557 -10.505 -0.311 1.00 0.00 C ATOM 183 C ASP A 16 8.884 -9.850 -1.513 1.00 0.00 C ATOM 184 O ASP A 16 9.523 -9.599 -2.535 1.00 0.00 O ATOM 185 CB ASP A 16 9.130 -11.970 -0.209 1.00 0.00 C ATOM 186 CG ASP A 16 10.212 -12.922 -0.680 1.00 0.00 C ATOM 187 OD1 ASP A 16 10.233 -13.246 -1.886 1.00 0.00 O ATOM 188 OD2 ASP A 16 11.037 -13.346 0.157 1.00 0.00 O ATOM 0 H ASP A 16 9.141 -10.393 1.740 1.00 0.00 H new ATOM 0 HA ASP A 16 10.637 -10.458 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.873 -12.199 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.229 -12.125 -0.803 1.00 0.00 H new ATOM 193 N MET A 17 7.590 -9.576 -1.383 1.00 0.00 N ATOM 194 CA MET A 17 6.830 -8.949 -2.459 1.00 0.00 C ATOM 195 C MET A 17 7.497 -7.655 -2.914 1.00 0.00 C ATOM 196 O MET A 17 8.438 -7.173 -2.282 1.00 0.00 O ATOM 197 CB MET A 17 5.398 -8.665 -2.002 1.00 0.00 C ATOM 198 CG MET A 17 4.530 -9.910 -1.911 1.00 0.00 C ATOM 199 SD MET A 17 2.823 -9.604 -2.403 1.00 0.00 S ATOM 200 CE MET A 17 1.938 -10.453 -1.097 1.00 0.00 C ATOM 0 H MET A 17 7.046 -9.778 -0.544 1.00 0.00 H new ATOM 0 HA MET A 17 6.805 -9.639 -3.302 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.426 -8.180 -1.026 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.937 -7.961 -2.695 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.952 -10.690 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.547 -10.286 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.344 -11.260 -1.525 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.651 -10.866 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.280 -9.750 -0.587 1.00 0.00 H new ATOM 210 N THR A 18 7.006 -7.095 -4.015 1.00 0.00 N ATOM 211 CA THR A 18 7.555 -5.859 -4.554 1.00 0.00 C ATOM 212 C THR A 18 6.446 -4.892 -4.953 1.00 0.00 C ATOM 213 O THR A 18 5.354 -5.310 -5.334 1.00 0.00 O ATOM 214 CB THR A 18 8.450 -6.129 -5.780 1.00 0.00 C ATOM 215 OG1 THR A 18 7.794 -7.034 -6.675 1.00 0.00 O ATOM 216 CG2 THR A 18 9.790 -6.711 -5.354 1.00 0.00 C ATOM 0 H THR A 18 6.228 -7.479 -4.551 1.00 0.00 H new ATOM 0 HA THR A 18 8.158 -5.411 -3.764 1.00 0.00 H new ATOM 0 HB THR A 18 8.628 -5.181 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.368 -7.199 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.404 -6.893 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.300 -6.007 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.627 -7.650 -4.825 1.00 0.00 H new ATOM 224 N GLU A 19 6.736 -3.597 -4.862 1.00 0.00 N ATOM 225 CA GLU A 19 5.760 -2.571 -5.214 1.00 0.00 C ATOM 226 C GLU A 19 5.036 -2.929 -6.509 1.00 0.00 C ATOM 227 O GLU A 19 3.854 -2.628 -6.675 1.00 0.00 O ATOM 228 CB GLU A 19 6.447 -1.212 -5.360 1.00 0.00 C ATOM 229 CG GLU A 19 6.270 -0.308 -4.152 1.00 0.00 C ATOM 230 CD GLU A 19 7.497 0.539 -3.871 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.452 0.016 -3.259 1.00 0.00 O ATOM 232 OE2 GLU A 19 7.501 1.723 -4.265 1.00 0.00 O ATOM 0 H GLU A 19 7.636 -3.234 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 19 5.025 -2.515 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.512 -1.369 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.052 -0.708 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.412 0.345 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.046 -0.918 -3.277 1.00 0.00 H new ATOM 239 N ASP A 20 5.754 -3.573 -7.422 1.00 0.00 N ATOM 240 CA ASP A 20 5.182 -3.973 -8.702 1.00 0.00 C ATOM 241 C ASP A 20 4.089 -5.020 -8.506 1.00 0.00 C ATOM 242 O ASP A 20 2.965 -4.853 -8.977 1.00 0.00 O ATOM 243 CB ASP A 20 6.272 -4.523 -9.623 1.00 0.00 C ATOM 244 CG ASP A 20 6.590 -3.583 -10.770 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.062 -2.459 -10.501 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.364 -3.971 -11.936 1.00 0.00 O ATOM 0 H ASP A 20 6.734 -3.829 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 20 4.737 -3.091 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.177 -4.703 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.954 -5.485 -10.023 1.00 0.00 H new ATOM 251 N GLU A 21 4.429 -6.099 -7.807 1.00 0.00 N ATOM 252 CA GLU A 21 3.476 -7.173 -7.550 1.00 0.00 C ATOM 253 C GLU A 21 2.122 -6.609 -7.130 1.00 0.00 C ATOM 254 O GLU A 21 1.125 -6.767 -7.836 1.00 0.00 O ATOM 255 CB GLU A 21 4.010 -8.109 -6.465 1.00 0.00 C ATOM 256 CG GLU A 21 5.251 -8.882 -6.883 1.00 0.00 C ATOM 257 CD GLU A 21 4.974 -10.357 -7.099 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.267 -10.691 -8.073 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.463 -11.177 -6.295 1.00 0.00 O ATOM 0 H GLU A 21 5.356 -6.252 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 21 3.345 -7.737 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.239 -7.525 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.227 -8.816 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.650 -8.453 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.020 -8.769 -6.119 1.00 0.00 H new ATOM 266 N LEU A 22 2.094 -5.953 -5.975 1.00 0.00 N ATOM 267 CA LEU A 22 0.862 -5.367 -5.459 1.00 0.00 C ATOM 268 C LEU A 22 0.259 -4.392 -6.466 1.00 0.00 C ATOM 269 O LEU A 22 -0.917 -4.494 -6.815 1.00 0.00 O ATOM 270 CB LEU A 22 1.131 -4.649 -4.136 1.00 0.00 C ATOM 271 CG LEU A 22 1.538 -5.538 -2.960 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.760 -4.967 -2.257 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.382 -5.693 -1.983 1.00 0.00 C ATOM 0 H LEU A 22 2.910 -5.814 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 22 0.148 -6.173 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.918 -3.913 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.233 -4.098 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 22 1.795 -6.524 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.035 -5.613 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.591 -4.909 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.531 -3.969 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.690 -6.329 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.094 -4.713 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.467 -6.148 -2.493 1.00 0.00 H new ATOM 285 N ARG A 23 1.073 -3.450 -6.930 1.00 0.00 N ATOM 286 CA ARG A 23 0.620 -2.458 -7.897 1.00 0.00 C ATOM 287 C ARG A 23 -0.144 -3.121 -9.039 1.00 0.00 C ATOM 288 O ARG A 23 -1.126 -2.575 -9.542 1.00 0.00 O ATOM 289 CB ARG A 23 1.812 -1.676 -8.454 1.00 0.00 C ATOM 290 CG ARG A 23 1.512 -0.953 -9.757 1.00 0.00 C ATOM 291 CD ARG A 23 2.557 0.110 -10.057 1.00 0.00 C ATOM 292 NE ARG A 23 3.771 -0.464 -10.633 1.00 0.00 N ATOM 293 CZ ARG A 23 4.888 0.226 -10.827 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.947 1.509 -10.495 1.00 0.00 N ATOM 295 NH2 ARG A 23 5.952 -0.365 -11.356 1.00 0.00 N ATOM 0 H ARG A 23 2.050 -3.353 -6.652 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.052 -1.769 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.137 -0.948 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.644 -2.362 -8.613 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.479 -1.673 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.527 -0.490 -9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.140 0.844 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.807 0.642 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 23 3.759 -1.448 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.132 1.969 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.807 2.036 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.912 -1.351 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.810 0.167 -11.504 1.00 0.00 H new ATOM 309 N GLU A 24 0.314 -4.302 -9.444 1.00 0.00 N ATOM 310 CA GLU A 24 -0.327 -5.038 -10.527 1.00 0.00 C ATOM 311 C GLU A 24 -1.526 -5.829 -10.013 1.00 0.00 C ATOM 312 O GLU A 24 -2.462 -6.116 -10.761 1.00 0.00 O ATOM 313 CB GLU A 24 0.675 -5.985 -11.192 1.00 0.00 C ATOM 314 CG GLU A 24 1.008 -5.610 -12.627 1.00 0.00 C ATOM 315 CD GLU A 24 2.435 -5.127 -12.787 1.00 0.00 C ATOM 316 OE1 GLU A 24 3.358 -5.965 -12.709 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.630 -3.911 -12.992 1.00 0.00 O ATOM 0 H GLU A 24 1.125 -4.769 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.679 -4.316 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.594 -5.997 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.272 -6.998 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.847 -6.474 -13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.325 -4.830 -12.963 1.00 0.00 H new ATOM 324 N PHE A 25 -1.492 -6.178 -8.732 1.00 0.00 N ATOM 325 CA PHE A 25 -2.575 -6.937 -8.117 1.00 0.00 C ATOM 326 C PHE A 25 -3.777 -6.039 -7.837 1.00 0.00 C ATOM 327 O PHE A 25 -4.919 -6.499 -7.825 1.00 0.00 O ATOM 328 CB PHE A 25 -2.096 -7.586 -6.816 1.00 0.00 C ATOM 329 CG PHE A 25 -3.181 -8.313 -6.075 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.499 -9.624 -6.394 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.884 -7.686 -5.059 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.497 -10.294 -5.714 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.883 -8.353 -4.374 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.190 -9.659 -4.701 1.00 0.00 C ATOM 0 H PHE A 25 -0.726 -5.948 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.880 -7.717 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.291 -8.285 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.677 -6.816 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.960 -10.127 -7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.649 -6.664 -4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.736 -11.315 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.423 -7.853 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.969 -10.182 -4.167 1.00 0.00 H new ATOM 344 N PHE A 26 -3.511 -4.757 -7.612 1.00 0.00 N ATOM 345 CA PHE A 26 -4.570 -3.795 -7.331 1.00 0.00 C ATOM 346 C PHE A 26 -5.048 -3.122 -8.615 1.00 0.00 C ATOM 347 O PHE A 26 -6.123 -2.524 -8.651 1.00 0.00 O ATOM 348 CB PHE A 26 -4.077 -2.737 -6.341 1.00 0.00 C ATOM 349 CG PHE A 26 -3.923 -3.254 -4.939 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.029 -3.656 -4.208 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.670 -3.338 -4.352 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.890 -4.133 -2.919 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.525 -3.814 -3.063 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.636 -4.211 -2.345 1.00 0.00 C ATOM 0 H PHE A 26 -2.571 -4.360 -7.619 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.409 -4.334 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.118 -2.349 -6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.776 -1.901 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.012 -3.596 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.798 -3.028 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.761 -4.444 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.543 -3.876 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.525 -4.582 -1.337 1.00 0.00 H new ATOM 364 N SER A 27 -4.241 -3.224 -9.666 1.00 0.00 N ATOM 365 CA SER A 27 -4.579 -2.622 -10.950 1.00 0.00 C ATOM 366 C SER A 27 -5.943 -3.104 -11.433 1.00 0.00 C ATOM 367 O SER A 27 -6.685 -2.358 -12.072 1.00 0.00 O ATOM 368 CB SER A 27 -3.509 -2.958 -11.991 1.00 0.00 C ATOM 369 OG SER A 27 -2.937 -1.780 -12.533 1.00 0.00 O ATOM 0 H SER A 27 -3.349 -3.718 -9.654 1.00 0.00 H new ATOM 0 HA SER A 27 -4.621 -1.541 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.730 -3.567 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.949 -3.553 -12.791 1.00 0.00 H new ATOM 0 HG SER A 27 -2.255 -2.022 -13.194 1.00 0.00 H new ATOM 375 N GLN A 28 -6.266 -4.356 -11.124 1.00 0.00 N ATOM 376 CA GLN A 28 -7.540 -4.938 -11.528 1.00 0.00 C ATOM 377 C GLN A 28 -8.688 -4.355 -10.710 1.00 0.00 C ATOM 378 O GLN A 28 -9.783 -4.134 -11.228 1.00 0.00 O ATOM 379 CB GLN A 28 -7.504 -6.459 -11.366 1.00 0.00 C ATOM 380 CG GLN A 28 -7.813 -6.928 -9.954 1.00 0.00 C ATOM 381 CD GLN A 28 -7.692 -8.431 -9.799 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.310 -9.195 -10.541 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.893 -8.864 -8.830 1.00 0.00 N ATOM 0 H GLN A 28 -5.663 -4.986 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.705 -4.695 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.222 -6.906 -12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.518 -6.823 -11.653 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.134 -6.439 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.823 -6.619 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.400 -8.195 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.773 -9.865 -8.678 1.00 0.00 H new ATOM 392 N TYR A 29 -8.430 -4.108 -9.430 1.00 0.00 N ATOM 393 CA TYR A 29 -9.442 -3.553 -8.540 1.00 0.00 C ATOM 394 C TYR A 29 -9.836 -2.144 -8.973 1.00 0.00 C ATOM 395 O TYR A 29 -11.015 -1.846 -9.161 1.00 0.00 O ATOM 396 CB TYR A 29 -8.928 -3.531 -7.099 1.00 0.00 C ATOM 397 CG TYR A 29 -8.839 -4.902 -6.467 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.788 -5.759 -6.766 1.00 0.00 C ATOM 399 CD2 TYR A 29 -9.806 -5.339 -5.570 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.703 -7.013 -6.191 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.729 -6.590 -4.989 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.676 -7.423 -5.303 1.00 0.00 C ATOM 403 OH TYR A 29 -8.594 -8.670 -4.728 1.00 0.00 O ATOM 0 H TYR A 29 -7.529 -4.284 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.325 -4.190 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.942 -3.067 -7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.586 -2.905 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.024 -5.440 -7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.632 -4.689 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.880 -7.668 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.489 -6.914 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.658 -8.958 -4.703 1.00 0.00 H new ATOM 413 N GLY A 30 -8.837 -1.279 -9.130 1.00 0.00 N ATOM 414 CA GLY A 30 -9.098 0.088 -9.540 1.00 0.00 C ATOM 415 C GLY A 30 -7.867 0.767 -10.107 1.00 0.00 C ATOM 416 O GLY A 30 -6.802 0.157 -10.203 1.00 0.00 O ATOM 0 H GLY A 30 -7.853 -1.501 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.890 0.095 -10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.462 0.658 -8.685 1.00 0.00 H new ATOM 420 N ASP A 31 -8.013 2.032 -10.486 1.00 0.00 N ATOM 421 CA ASP A 31 -6.904 2.795 -11.047 1.00 0.00 C ATOM 422 C ASP A 31 -5.891 3.156 -9.966 1.00 0.00 C ATOM 423 O ASP A 31 -5.882 4.278 -9.458 1.00 0.00 O ATOM 424 CB ASP A 31 -7.422 4.066 -11.723 1.00 0.00 C ATOM 425 CG ASP A 31 -8.695 3.825 -12.510 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.613 3.225 -13.604 1.00 0.00 O ATOM 427 OD2 ASP A 31 -9.773 4.235 -12.034 1.00 0.00 O ATOM 0 H ASP A 31 -8.888 2.551 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.407 2.173 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.605 4.828 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.654 4.458 -12.390 1.00 0.00 H new ATOM 432 N VAL A 32 -5.037 2.198 -9.617 1.00 0.00 N ATOM 433 CA VAL A 32 -4.020 2.415 -8.596 1.00 0.00 C ATOM 434 C VAL A 32 -3.032 3.492 -9.027 1.00 0.00 C ATOM 435 O VAL A 32 -2.075 3.218 -9.752 1.00 0.00 O ATOM 436 CB VAL A 32 -3.247 1.118 -8.290 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.673 0.524 -9.566 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.148 1.381 -7.273 1.00 0.00 C ATOM 0 H VAL A 32 -5.030 1.264 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.539 2.741 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.941 0.395 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.131 -0.391 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.484 0.297 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.992 1.240 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.612 0.454 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.454 2.121 -7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.589 1.756 -6.350 1.00 0.00 H new ATOM 448 N MET A 33 -3.267 4.719 -8.573 1.00 0.00 N ATOM 449 CA MET A 33 -2.396 5.839 -8.910 1.00 0.00 C ATOM 450 C MET A 33 -0.929 5.426 -8.842 1.00 0.00 C ATOM 451 O MET A 33 -0.207 5.499 -9.837 1.00 0.00 O ATOM 452 CB MET A 33 -2.651 7.014 -7.964 1.00 0.00 C ATOM 453 CG MET A 33 -3.322 8.200 -8.637 1.00 0.00 C ATOM 454 SD MET A 33 -3.167 9.721 -7.679 1.00 0.00 S ATOM 455 CE MET A 33 -4.228 10.820 -8.615 1.00 0.00 C ATOM 0 H MET A 33 -4.053 4.963 -7.971 1.00 0.00 H new ATOM 0 HA MET A 33 -2.622 6.148 -9.931 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.275 6.675 -7.137 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.702 7.338 -7.536 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.882 8.350 -9.623 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.378 7.977 -8.789 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.087 11.844 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.974 10.757 -9.673 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.269 10.529 -8.473 1.00 0.00 H new ATOM 465 N ASP A 34 -0.495 4.992 -7.664 1.00 0.00 N ATOM 466 CA ASP A 34 0.886 4.567 -7.467 1.00 0.00 C ATOM 467 C ASP A 34 1.028 3.763 -6.178 1.00 0.00 C ATOM 468 O ASP A 34 0.061 3.578 -5.439 1.00 0.00 O ATOM 469 CB ASP A 34 1.816 5.781 -7.430 1.00 0.00 C ATOM 470 CG ASP A 34 3.101 5.548 -8.201 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.070 5.643 -9.446 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.136 5.273 -7.560 1.00 0.00 O ATOM 0 H ASP A 34 -1.080 4.925 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 34 1.167 3.929 -8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.298 6.645 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.055 6.021 -6.394 1.00 0.00 H new ATOM 477 N VAL A 35 2.240 3.285 -5.915 1.00 0.00 N ATOM 478 CA VAL A 35 2.509 2.501 -4.716 1.00 0.00 C ATOM 479 C VAL A 35 3.791 2.964 -4.033 1.00 0.00 C ATOM 480 O VAL A 35 4.832 3.109 -4.674 1.00 0.00 O ATOM 481 CB VAL A 35 2.628 1.000 -5.042 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.921 0.201 -3.781 1.00 0.00 C ATOM 483 CG2 VAL A 35 1.361 0.500 -5.718 1.00 0.00 C ATOM 0 H VAL A 35 3.051 3.427 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 35 1.666 2.654 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 35 3.460 0.861 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.002 -0.857 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.859 0.543 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.113 0.344 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.463 -0.562 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.510 0.652 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.201 1.052 -6.644 1.00 0.00 H new ATOM 493 N PHE A 36 3.708 3.196 -2.726 1.00 0.00 N ATOM 494 CA PHE A 36 4.861 3.644 -1.954 1.00 0.00 C ATOM 495 C PHE A 36 5.031 2.802 -0.692 1.00 0.00 C ATOM 496 O PHE A 36 4.056 2.482 -0.012 1.00 0.00 O ATOM 497 CB PHE A 36 4.709 5.120 -1.581 1.00 0.00 C ATOM 498 CG PHE A 36 5.604 5.547 -0.453 1.00 0.00 C ATOM 499 CD1 PHE A 36 6.982 5.523 -0.597 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.068 5.972 0.752 1.00 0.00 C ATOM 501 CE1 PHE A 36 7.808 5.917 0.439 1.00 0.00 C ATOM 502 CE2 PHE A 36 5.889 6.367 1.791 1.00 0.00 C ATOM 503 CZ PHE A 36 7.261 6.337 1.635 1.00 0.00 C ATOM 0 H PHE A 36 2.854 3.081 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 36 5.751 3.523 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.924 5.732 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.672 5.312 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.416 5.193 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.996 5.995 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.880 5.896 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.458 6.699 2.724 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.905 6.641 2.447 1.00 0.00 H new ATOM 513 N ILE A 37 6.275 2.448 -0.388 1.00 0.00 N ATOM 514 CA ILE A 37 6.572 1.645 0.792 1.00 0.00 C ATOM 515 C ILE A 37 7.424 2.425 1.787 1.00 0.00 C ATOM 516 O ILE A 37 8.649 2.487 1.678 1.00 0.00 O ATOM 517 CB ILE A 37 7.305 0.343 0.416 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.394 -0.557 -0.422 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.769 -0.384 1.669 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.074 -1.816 -0.911 1.00 0.00 C ATOM 0 H ILE A 37 7.093 2.704 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 37 5.616 1.395 1.253 1.00 0.00 H new ATOM 0 HB ILE A 37 8.182 0.596 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.522 -0.832 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.030 0.007 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.285 -1.302 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.449 0.257 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.906 -0.629 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.370 -2.406 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.930 -1.550 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.414 -2.401 -0.057 1.00 0.00 H new ATOM 532 N PRO A 38 6.763 3.034 2.782 1.00 0.00 N ATOM 533 CA PRO A 38 7.440 3.819 3.818 1.00 0.00 C ATOM 534 C PRO A 38 8.258 2.948 4.764 1.00 0.00 C ATOM 535 O PRO A 38 7.843 1.846 5.126 1.00 0.00 O ATOM 536 CB PRO A 38 6.284 4.485 4.570 1.00 0.00 C ATOM 537 CG PRO A 38 5.118 3.585 4.347 1.00 0.00 C ATOM 538 CD PRO A 38 5.302 3.002 2.973 1.00 0.00 C ATOM 0 HA PRO A 38 8.154 4.525 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.509 4.586 5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.089 5.487 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.081 2.800 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.180 4.137 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.911 1.986 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.785 3.589 2.215 1.00 0.00 H new ATOM 546 N LYS A 39 9.424 3.446 5.162 1.00 0.00 N ATOM 547 CA LYS A 39 10.301 2.715 6.068 1.00 0.00 C ATOM 548 C LYS A 39 10.249 3.307 7.472 1.00 0.00 C ATOM 549 O LYS A 39 10.007 4.500 7.661 1.00 0.00 O ATOM 550 CB LYS A 39 11.740 2.737 5.547 1.00 0.00 C ATOM 551 CG LYS A 39 11.843 2.558 4.042 1.00 0.00 C ATOM 552 CD LYS A 39 12.320 1.163 3.677 1.00 0.00 C ATOM 553 CE LYS A 39 11.457 0.546 2.586 1.00 0.00 C ATOM 554 NZ LYS A 39 11.954 -0.797 2.179 1.00 0.00 N ATOM 0 H LYS A 39 9.784 4.355 4.870 1.00 0.00 H new ATOM 0 HA LYS A 39 9.954 1.683 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.204 3.683 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.308 1.947 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.870 2.742 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.532 3.297 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.356 1.208 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.299 0.527 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.430 0.461 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.442 1.206 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.339 -1.184 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.925 -0.713 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.945 -1.434 3.001 1.00 0.00 H new ATOM 568 N PRO A 40 10.483 2.457 8.483 1.00 0.00 N ATOM 569 CA PRO A 40 10.770 1.035 8.272 1.00 0.00 C ATOM 570 C PRO A 40 9.552 0.265 7.775 1.00 0.00 C ATOM 571 O PRO A 40 8.413 0.686 7.979 1.00 0.00 O ATOM 572 CB PRO A 40 11.182 0.546 9.662 1.00 0.00 C ATOM 573 CG PRO A 40 10.516 1.486 10.607 1.00 0.00 C ATOM 574 CD PRO A 40 10.483 2.818 9.911 1.00 0.00 C ATOM 0 HA PRO A 40 11.533 0.882 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.859 -0.481 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.265 0.564 9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.509 1.147 10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.066 1.550 11.546 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.595 3.390 10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.348 3.429 10.171 1.00 0.00 H new ATOM 582 N PHE A 41 9.798 -0.866 7.122 1.00 0.00 N ATOM 583 CA PHE A 41 8.720 -1.696 6.596 1.00 0.00 C ATOM 584 C PHE A 41 8.258 -2.711 7.636 1.00 0.00 C ATOM 585 O PHE A 41 8.979 -3.654 7.962 1.00 0.00 O ATOM 586 CB PHE A 41 9.177 -2.420 5.328 1.00 0.00 C ATOM 587 CG PHE A 41 8.205 -3.459 4.847 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.290 -4.767 5.298 1.00 0.00 C ATOM 589 CD2 PHE A 41 7.207 -3.128 3.946 1.00 0.00 C ATOM 590 CE1 PHE A 41 7.398 -5.725 4.857 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.311 -4.082 3.501 1.00 0.00 C ATOM 592 CZ PHE A 41 6.406 -5.383 3.959 1.00 0.00 C ATOM 0 H PHE A 41 10.735 -1.229 6.944 1.00 0.00 H new ATOM 0 HA PHE A 41 7.881 -1.045 6.352 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.333 -1.687 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.140 -2.895 5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.062 -5.040 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.128 -2.113 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.476 -6.741 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.538 -3.811 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.706 -6.130 3.615 1.00 0.00 H new ATOM 602 N ARG A 42 7.051 -2.511 8.155 1.00 0.00 N ATOM 603 CA ARG A 42 6.492 -3.408 9.160 1.00 0.00 C ATOM 604 C ARG A 42 5.288 -4.163 8.605 1.00 0.00 C ATOM 605 O ARG A 42 4.142 -3.781 8.841 1.00 0.00 O ATOM 606 CB ARG A 42 6.086 -2.621 10.407 1.00 0.00 C ATOM 607 CG ARG A 42 7.126 -2.655 11.515 1.00 0.00 C ATOM 608 CD ARG A 42 6.560 -2.134 12.826 1.00 0.00 C ATOM 609 NE ARG A 42 6.377 -3.201 13.806 1.00 0.00 N ATOM 610 CZ ARG A 42 7.380 -3.896 14.332 1.00 0.00 C ATOM 611 NH1 ARG A 42 8.629 -3.637 13.973 1.00 0.00 N ATOM 612 NH2 ARG A 42 7.133 -4.851 15.219 1.00 0.00 N ATOM 0 H ARG A 42 6.441 -1.736 7.896 1.00 0.00 H new ATOM 0 HA ARG A 42 7.259 -4.133 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.900 -1.584 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.147 -3.022 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.481 -3.677 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.988 -2.054 11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.230 -1.377 13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.604 -1.646 12.639 1.00 0.00 H new ATOM 0 HE ARG A 42 5.427 -3.425 14.103 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.822 -2.903 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.397 -4.172 14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.173 -5.052 15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.903 -5.384 15.622 1.00 0.00 H new ATOM 626 N ALA A 43 5.556 -5.236 7.869 1.00 0.00 N ATOM 627 CA ALA A 43 4.494 -6.044 7.282 1.00 0.00 C ATOM 628 C ALA A 43 3.326 -5.173 6.832 1.00 0.00 C ATOM 629 O ALA A 43 2.165 -5.564 6.952 1.00 0.00 O ATOM 630 CB ALA A 43 4.020 -7.094 8.277 1.00 0.00 C ATOM 0 H ALA A 43 6.499 -5.566 7.665 1.00 0.00 H new ATOM 0 HA ALA A 43 4.897 -6.547 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.227 -7.691 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.854 -7.743 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.640 -6.602 9.172 1.00 0.00 H new ATOM 636 N PHE A 44 3.641 -3.992 6.312 1.00 0.00 N ATOM 637 CA PHE A 44 2.617 -3.065 5.844 1.00 0.00 C ATOM 638 C PHE A 44 3.152 -2.188 4.716 1.00 0.00 C ATOM 639 O PHE A 44 4.358 -1.975 4.599 1.00 0.00 O ATOM 640 CB PHE A 44 2.128 -2.188 6.999 1.00 0.00 C ATOM 641 CG PHE A 44 2.873 -0.890 7.124 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.611 0.160 6.259 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.838 -0.722 8.103 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.296 1.356 6.371 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.525 0.472 8.221 1.00 0.00 C ATOM 646 CZ PHE A 44 4.254 1.511 7.353 1.00 0.00 C ATOM 0 H PHE A 44 4.597 -3.654 6.204 1.00 0.00 H new ATOM 0 HA PHE A 44 1.781 -3.649 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.068 -1.977 6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.223 -2.744 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.863 0.043 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.056 -1.533 8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.082 2.168 5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.273 0.592 8.991 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.791 2.444 7.442 1.00 0.00 H new ATOM 656 N ALA A 45 2.244 -1.684 3.886 1.00 0.00 N ATOM 657 CA ALA A 45 2.623 -0.829 2.768 1.00 0.00 C ATOM 658 C ALA A 45 1.514 0.163 2.434 1.00 0.00 C ATOM 659 O ALA A 45 0.342 -0.080 2.725 1.00 0.00 O ATOM 660 CB ALA A 45 2.962 -1.675 1.549 1.00 0.00 C ATOM 0 H ALA A 45 1.241 -1.853 3.967 1.00 0.00 H new ATOM 0 HA ALA A 45 3.506 -0.261 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.243 -1.024 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.793 -2.339 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.093 -2.268 1.265 1.00 0.00 H new ATOM 666 N PHE A 46 1.889 1.280 1.822 1.00 0.00 N ATOM 667 CA PHE A 46 0.926 2.309 1.450 1.00 0.00 C ATOM 668 C PHE A 46 0.604 2.239 -0.040 1.00 0.00 C ATOM 669 O PHE A 46 1.499 2.118 -0.876 1.00 0.00 O ATOM 670 CB PHE A 46 1.469 3.697 1.802 1.00 0.00 C ATOM 671 CG PHE A 46 0.423 4.774 1.774 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.492 4.897 2.807 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.354 5.665 0.714 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.456 5.887 2.784 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.608 6.657 0.686 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.513 6.769 1.722 1.00 0.00 C ATOM 0 H PHE A 46 2.854 1.496 1.573 1.00 0.00 H new ATOM 0 HA PHE A 46 0.008 2.133 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.917 3.662 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.264 3.955 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.451 4.211 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.060 5.583 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.164 5.971 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.652 7.344 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.264 7.545 1.703 1.00 0.00 H new ATOM 686 N VAL A 47 -0.684 2.317 -0.364 1.00 0.00 N ATOM 687 CA VAL A 47 -1.126 2.263 -1.753 1.00 0.00 C ATOM 688 C VAL A 47 -2.090 3.402 -2.066 1.00 0.00 C ATOM 689 O VAL A 47 -3.121 3.557 -1.412 1.00 0.00 O ATOM 690 CB VAL A 47 -1.812 0.922 -2.071 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.334 0.914 -3.500 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.853 -0.235 -1.839 1.00 0.00 C ATOM 0 H VAL A 47 -1.438 2.418 0.316 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.236 2.363 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.661 0.800 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.816 -0.042 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.057 1.720 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.504 1.059 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.355 -1.175 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.018 -0.121 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.534 -0.239 -0.797 1.00 0.00 H new ATOM 702 N THR A 48 -1.747 4.199 -3.074 1.00 0.00 N ATOM 703 CA THR A 48 -2.581 5.325 -3.476 1.00 0.00 C ATOM 704 C THR A 48 -3.493 4.947 -4.637 1.00 0.00 C ATOM 705 O THR A 48 -3.094 4.208 -5.538 1.00 0.00 O ATOM 706 CB THR A 48 -1.727 6.540 -3.883 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.615 6.679 -2.991 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.557 7.815 -3.869 1.00 0.00 C ATOM 0 H THR A 48 -0.897 4.085 -3.627 1.00 0.00 H new ATOM 0 HA THR A 48 -3.189 5.592 -2.612 1.00 0.00 H new ATOM 0 HB THR A 48 -1.361 6.375 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.076 7.453 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.932 8.659 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.385 7.718 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.949 7.983 -2.866 1.00 0.00 H new ATOM 716 N PHE A 49 -4.719 5.458 -4.611 1.00 0.00 N ATOM 717 CA PHE A 49 -5.688 5.174 -5.663 1.00 0.00 C ATOM 718 C PHE A 49 -6.185 6.464 -6.309 1.00 0.00 C ATOM 719 O PHE A 49 -6.367 7.478 -5.635 1.00 0.00 O ATOM 720 CB PHE A 49 -6.871 4.386 -5.097 1.00 0.00 C ATOM 721 CG PHE A 49 -6.595 2.918 -4.942 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.543 2.088 -6.051 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.386 2.366 -3.688 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.287 0.737 -5.913 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.130 1.016 -3.544 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.082 0.200 -4.657 1.00 0.00 C ATOM 0 H PHE A 49 -5.065 6.071 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.192 4.574 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.142 4.801 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.732 4.518 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.705 2.502 -7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.424 2.998 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.247 0.102 -6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.967 0.599 -2.561 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.885 -0.856 -4.546 1.00 0.00 H new ATOM 736 N ALA A 50 -6.401 6.418 -7.619 1.00 0.00 N ATOM 737 CA ALA A 50 -6.878 7.582 -8.355 1.00 0.00 C ATOM 738 C ALA A 50 -8.296 7.954 -7.936 1.00 0.00 C ATOM 739 O ALA A 50 -8.824 8.988 -8.347 1.00 0.00 O ATOM 740 CB ALA A 50 -6.820 7.318 -9.853 1.00 0.00 C ATOM 0 H ALA A 50 -6.253 5.587 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.226 8.423 -8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.179 8.195 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.791 7.108 -10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.448 6.461 -10.096 1.00 0.00 H new ATOM 746 N ASP A 51 -8.908 7.106 -7.117 1.00 0.00 N ATOM 747 CA ASP A 51 -10.265 7.346 -6.643 1.00 0.00 C ATOM 748 C ASP A 51 -10.418 6.906 -5.190 1.00 0.00 C ATOM 749 O ASP A 51 -10.089 5.775 -4.835 1.00 0.00 O ATOM 750 CB ASP A 51 -11.274 6.605 -7.521 1.00 0.00 C ATOM 751 CG ASP A 51 -12.212 7.550 -8.247 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.731 8.322 -9.102 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.427 7.515 -7.961 1.00 0.00 O ATOM 0 H ASP A 51 -8.485 6.246 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.460 8.417 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.739 5.997 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.857 5.922 -6.903 1.00 0.00 H new ATOM 758 N ASP A 52 -10.918 7.810 -4.353 1.00 0.00 N ATOM 759 CA ASP A 52 -11.115 7.516 -2.938 1.00 0.00 C ATOM 760 C ASP A 52 -12.046 6.321 -2.756 1.00 0.00 C ATOM 761 O ASP A 52 -11.845 5.498 -1.864 1.00 0.00 O ATOM 762 CB ASP A 52 -11.684 8.737 -2.216 1.00 0.00 C ATOM 763 CG ASP A 52 -11.219 10.043 -2.831 1.00 0.00 C ATOM 764 OD1 ASP A 52 -9.992 10.251 -2.923 1.00 0.00 O ATOM 765 OD2 ASP A 52 -12.083 10.857 -3.220 1.00 0.00 O ATOM 0 H ASP A 52 -11.194 8.752 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.146 7.268 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.773 8.695 -2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.387 8.707 -1.168 1.00 0.00 H new ATOM 770 N GLN A 53 -13.063 6.235 -3.607 1.00 0.00 N ATOM 771 CA GLN A 53 -14.025 5.142 -3.537 1.00 0.00 C ATOM 772 C GLN A 53 -13.333 3.794 -3.711 1.00 0.00 C ATOM 773 O GLN A 53 -13.735 2.797 -3.112 1.00 0.00 O ATOM 774 CB GLN A 53 -15.105 5.316 -4.608 1.00 0.00 C ATOM 775 CG GLN A 53 -15.861 6.630 -4.501 1.00 0.00 C ATOM 776 CD GLN A 53 -16.948 6.764 -5.549 1.00 0.00 C ATOM 777 OE1 GLN A 53 -16.670 6.798 -6.748 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.197 6.840 -5.102 1.00 0.00 N ATOM 0 H GLN A 53 -13.242 6.908 -4.352 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.492 5.165 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.642 5.252 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.814 4.491 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.306 6.709 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.159 7.458 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.383 6.808 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.970 6.930 -5.761 1.00 0.00 H new ATOM 787 N ILE A 54 -12.290 3.772 -4.533 1.00 0.00 N ATOM 788 CA ILE A 54 -11.541 2.548 -4.785 1.00 0.00 C ATOM 789 C ILE A 54 -10.873 2.040 -3.511 1.00 0.00 C ATOM 790 O ILE A 54 -10.715 0.835 -3.319 1.00 0.00 O ATOM 791 CB ILE A 54 -10.465 2.758 -5.866 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.117 3.110 -7.205 1.00 0.00 C ATOM 793 CG2 ILE A 54 -9.601 1.512 -6.003 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.122 3.474 -8.285 1.00 0.00 C ATOM 0 H ILE A 54 -11.944 4.589 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.258 1.807 -5.137 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.826 3.588 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.714 2.263 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.803 3.945 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.845 1.676 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.112 1.302 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.226 0.665 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.655 3.712 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.542 4.340 -7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.452 2.633 -8.461 1.00 0.00 H new ATOM 806 N ALA A 55 -10.485 2.968 -2.642 1.00 0.00 N ATOM 807 CA ALA A 55 -9.838 2.616 -1.386 1.00 0.00 C ATOM 808 C ALA A 55 -10.865 2.434 -0.272 1.00 0.00 C ATOM 809 O ALA A 55 -10.608 1.743 0.714 1.00 0.00 O ATOM 810 CB ALA A 55 -8.820 3.678 -0.999 1.00 0.00 C ATOM 0 H ALA A 55 -10.608 3.970 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.320 1.667 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.345 3.401 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.062 3.757 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.322 4.638 -0.883 1.00 0.00 H new ATOM 816 N GLN A 56 -12.026 3.059 -0.437 1.00 0.00 N ATOM 817 CA GLN A 56 -13.090 2.966 0.556 1.00 0.00 C ATOM 818 C GLN A 56 -13.880 1.673 0.388 1.00 0.00 C ATOM 819 O GLN A 56 -14.387 1.113 1.361 1.00 0.00 O ATOM 820 CB GLN A 56 -14.028 4.169 0.442 1.00 0.00 C ATOM 821 CG GLN A 56 -14.066 5.032 1.693 1.00 0.00 C ATOM 822 CD GLN A 56 -15.214 4.671 2.616 1.00 0.00 C ATOM 823 OE1 GLN A 56 -16.366 5.016 2.356 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.904 3.973 3.702 1.00 0.00 N ATOM 0 H GLN A 56 -12.254 3.635 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.631 2.964 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.717 4.783 -0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -15.035 3.814 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.124 4.926 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.152 6.080 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.935 3.708 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.635 3.702 4.360 1.00 0.00 H new ATOM 833 N SER A 57 -13.981 1.203 -0.851 1.00 0.00 N ATOM 834 CA SER A 57 -14.713 -0.023 -1.146 1.00 0.00 C ATOM 835 C SER A 57 -13.905 -1.250 -0.737 1.00 0.00 C ATOM 836 O SER A 57 -14.463 -2.313 -0.463 1.00 0.00 O ATOM 837 CB SER A 57 -15.050 -0.094 -2.636 1.00 0.00 C ATOM 838 OG SER A 57 -16.411 -0.435 -2.836 1.00 0.00 O ATOM 0 H SER A 57 -13.565 1.653 -1.667 1.00 0.00 H new ATOM 0 HA SER A 57 -15.639 -0.011 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.840 0.867 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.412 -0.832 -3.122 1.00 0.00 H new ATOM 0 HG SER A 57 -16.601 -0.472 -3.797 1.00 0.00 H new ATOM 844 N LEU A 58 -12.586 -1.096 -0.698 1.00 0.00 N ATOM 845 CA LEU A 58 -11.698 -2.191 -0.321 1.00 0.00 C ATOM 846 C LEU A 58 -11.542 -2.270 1.193 1.00 0.00 C ATOM 847 O LEU A 58 -11.157 -3.307 1.735 1.00 0.00 O ATOM 848 CB LEU A 58 -10.329 -2.012 -0.979 1.00 0.00 C ATOM 849 CG LEU A 58 -10.112 -2.765 -2.293 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.763 -2.406 -2.897 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.216 -4.266 -2.071 1.00 0.00 C ATOM 0 H LEU A 58 -12.108 -0.224 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.143 -3.123 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.173 -0.949 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.563 -2.329 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.892 -2.467 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.626 -2.951 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.726 -1.334 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.969 -2.675 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.059 -4.785 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.458 -4.581 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.205 -4.509 -1.684 1.00 0.00 H new ATOM 863 N CYS A 59 -11.844 -1.168 1.872 1.00 0.00 N ATOM 864 CA CYS A 59 -11.737 -1.111 3.325 1.00 0.00 C ATOM 865 C CYS A 59 -12.669 -2.128 3.977 1.00 0.00 C ATOM 866 O CYS A 59 -13.885 -1.945 4.003 1.00 0.00 O ATOM 867 CB CYS A 59 -12.065 0.295 3.828 1.00 0.00 C ATOM 868 SG CYS A 59 -10.638 1.203 4.466 1.00 0.00 S ATOM 0 H CYS A 59 -12.165 -0.302 1.439 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.711 -1.355 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.511 0.866 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.816 0.222 4.614 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.016 2.381 4.865 1.00 0.00 H new ATOM 874 N GLY A 60 -12.088 -3.202 4.504 1.00 0.00 N ATOM 875 CA GLY A 60 -12.881 -4.234 5.149 1.00 0.00 C ATOM 876 C GLY A 60 -13.024 -5.476 4.291 1.00 0.00 C ATOM 877 O GLY A 60 -13.898 -6.306 4.532 1.00 0.00 O ATOM 0 H GLY A 60 -11.083 -3.376 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.418 -4.503 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.870 -3.838 5.378 1.00 0.00 H new ATOM 881 N GLU A 61 -12.164 -5.600 3.284 1.00 0.00 N ATOM 882 CA GLU A 61 -12.202 -6.748 2.386 1.00 0.00 C ATOM 883 C GLU A 61 -10.907 -7.551 2.474 1.00 0.00 C ATOM 884 O GLU A 61 -9.815 -6.984 2.526 1.00 0.00 O ATOM 885 CB GLU A 61 -12.433 -6.289 0.944 1.00 0.00 C ATOM 886 CG GLU A 61 -13.569 -5.291 0.799 1.00 0.00 C ATOM 887 CD GLU A 61 -14.466 -5.598 -0.385 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.890 -6.764 -0.523 1.00 0.00 O ATOM 889 OE2 GLU A 61 -14.742 -4.670 -1.174 1.00 0.00 O ATOM 0 H GLU A 61 -11.434 -4.921 3.070 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.029 -7.389 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.516 -5.841 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.644 -7.160 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.165 -5.289 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.155 -4.289 0.687 1.00 0.00 H new ATOM 896 N ASP A 62 -11.037 -8.873 2.493 1.00 0.00 N ATOM 897 CA ASP A 62 -9.878 -9.754 2.575 1.00 0.00 C ATOM 898 C ASP A 62 -9.488 -10.268 1.192 1.00 0.00 C ATOM 899 O ASP A 62 -10.211 -11.058 0.585 1.00 0.00 O ATOM 900 CB ASP A 62 -10.171 -10.932 3.507 1.00 0.00 C ATOM 901 CG ASP A 62 -9.580 -10.738 4.889 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.197 -10.019 5.703 1.00 0.00 O ATOM 903 OD2 ASP A 62 -8.501 -11.305 5.157 1.00 0.00 O ATOM 0 H ASP A 62 -11.933 -9.358 2.453 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.044 -9.180 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.250 -11.065 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.771 -11.846 3.069 1.00 0.00 H new ATOM 908 N LEU A 63 -8.340 -9.814 0.701 1.00 0.00 N ATOM 909 CA LEU A 63 -7.854 -10.226 -0.611 1.00 0.00 C ATOM 910 C LEU A 63 -6.674 -11.184 -0.477 1.00 0.00 C ATOM 911 O LEU A 63 -5.971 -11.181 0.535 1.00 0.00 O ATOM 912 CB LEU A 63 -7.441 -9.003 -1.432 1.00 0.00 C ATOM 913 CG LEU A 63 -8.260 -7.733 -1.201 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.736 -6.595 -2.063 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.733 -7.988 -1.487 1.00 0.00 C ATOM 0 H LEU A 63 -7.729 -9.161 1.191 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.664 -10.744 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.396 -8.782 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.501 -9.263 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.159 -7.444 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.332 -5.700 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.695 -6.395 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.805 -6.873 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.300 -7.073 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.853 -8.302 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.102 -8.772 -0.825 1.00 0.00 H new ATOM 927 N ILE A 64 -6.462 -12.001 -1.503 1.00 0.00 N ATOM 928 CA ILE A 64 -5.365 -12.961 -1.502 1.00 0.00 C ATOM 929 C ILE A 64 -4.359 -12.649 -2.605 1.00 0.00 C ATOM 930 O ILE A 64 -4.730 -12.481 -3.767 1.00 0.00 O ATOM 931 CB ILE A 64 -5.879 -14.401 -1.683 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.919 -14.734 -0.612 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.721 -15.387 -1.629 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.327 -14.927 0.767 1.00 0.00 C ATOM 0 H ILE A 64 -7.036 -12.017 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.873 -12.878 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.354 -14.481 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.657 -13.933 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.449 -15.642 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.100 -16.401 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.012 -15.160 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.220 -15.307 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.122 -15.160 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.610 -15.748 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.822 -14.012 1.077 1.00 0.00 H new ATOM 946 N ILE A 65 -3.086 -12.575 -2.233 1.00 0.00 N ATOM 947 CA ILE A 65 -2.026 -12.286 -3.191 1.00 0.00 C ATOM 948 C ILE A 65 -0.916 -13.329 -3.114 1.00 0.00 C ATOM 949 O ILE A 65 -0.133 -13.350 -2.164 1.00 0.00 O ATOM 950 CB ILE A 65 -1.420 -10.890 -2.957 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.528 -9.843 -2.834 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.466 -10.530 -4.086 1.00 0.00 C ATOM 953 CD1 ILE A 65 -2.065 -8.541 -2.219 1.00 0.00 C ATOM 0 H ILE A 65 -2.763 -12.711 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.480 -12.314 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.857 -10.907 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.938 -9.642 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.338 -10.252 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.046 -9.540 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.339 -11.263 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.007 -10.528 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.903 -7.847 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.682 -8.728 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.276 -8.109 -2.834 1.00 0.00 H new ATOM 965 N LYS A 66 -0.854 -14.193 -4.121 1.00 0.00 N ATOM 966 CA LYS A 66 0.162 -15.238 -4.171 1.00 0.00 C ATOM 967 C LYS A 66 -0.112 -16.313 -3.124 1.00 0.00 C ATOM 968 O LYS A 66 0.661 -17.258 -2.973 1.00 0.00 O ATOM 969 CB LYS A 66 1.552 -14.638 -3.950 1.00 0.00 C ATOM 970 CG LYS A 66 1.780 -13.339 -4.702 1.00 0.00 C ATOM 971 CD LYS A 66 2.960 -13.444 -5.654 1.00 0.00 C ATOM 972 CE LYS A 66 2.514 -13.829 -7.055 1.00 0.00 C ATOM 973 NZ LYS A 66 3.591 -14.530 -7.808 1.00 0.00 N ATOM 0 H LYS A 66 -1.495 -14.190 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 66 0.125 -15.699 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.697 -14.461 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.305 -15.363 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.882 -13.080 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.956 -12.532 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.487 -12.490 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.666 -14.185 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.637 -14.473 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.214 -12.934 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.247 -14.776 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.419 -13.907 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.860 -15.398 -7.302 1.00 0.00 H new ATOM 987 N GLY A 67 -1.218 -16.162 -2.401 1.00 0.00 N ATOM 988 CA GLY A 67 -1.574 -17.128 -1.379 1.00 0.00 C ATOM 989 C GLY A 67 -1.729 -16.492 -0.011 1.00 0.00 C ATOM 990 O GLY A 67 -2.428 -17.025 0.853 1.00 0.00 O ATOM 0 H GLY A 67 -1.874 -15.388 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.507 -17.619 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.808 -17.902 -1.332 1.00 0.00 H new ATOM 994 N ILE A 68 -1.075 -15.354 0.188 1.00 0.00 N ATOM 995 CA ILE A 68 -1.143 -14.646 1.462 1.00 0.00 C ATOM 996 C ILE A 68 -2.441 -13.854 1.581 1.00 0.00 C ATOM 997 O ILE A 68 -3.049 -13.484 0.577 1.00 0.00 O ATOM 998 CB ILE A 68 0.050 -13.688 1.638 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.087 -12.490 0.695 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.360 -14.420 1.388 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.436 -11.201 1.402 1.00 0.00 C ATOM 0 H ILE A 68 -0.492 -14.901 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.109 -15.402 2.247 1.00 0.00 H new ATOM 0 HB ILE A 68 0.053 -13.320 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.849 -12.356 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.856 -12.708 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.193 -13.729 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.458 -15.242 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.369 -14.814 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.517 -10.396 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.387 -11.317 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.344 -10.959 2.124 1.00 0.00 H new ATOM 1013 N SER A 69 -2.858 -13.596 2.817 1.00 0.00 N ATOM 1014 CA SER A 69 -4.084 -12.848 3.068 1.00 0.00 C ATOM 1015 C SER A 69 -3.778 -11.508 3.730 1.00 0.00 C ATOM 1016 O SER A 69 -3.168 -11.456 4.799 1.00 0.00 O ATOM 1017 CB SER A 69 -5.031 -13.662 3.952 1.00 0.00 C ATOM 1018 OG SER A 69 -6.368 -13.212 3.817 1.00 0.00 O ATOM 0 H SER A 69 -2.365 -13.894 3.659 1.00 0.00 H new ATOM 0 HA SER A 69 -4.566 -12.658 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.970 -14.716 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.720 -13.582 4.994 1.00 0.00 H new ATOM 0 HG SER A 69 -6.559 -12.543 4.507 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.207 -10.426 3.088 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.980 -9.085 3.615 1.00 0.00 C ATOM 1026 C VAL A 70 -5.298 -8.384 3.919 1.00 0.00 C ATOM 1027 O VAL A 70 -6.316 -8.644 3.275 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.169 -8.225 2.627 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.716 -8.673 2.595 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -3.785 -8.286 1.237 1.00 0.00 C ATOM 0 H VAL A 70 -4.713 -10.452 2.203 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.412 -9.199 4.538 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.197 -7.190 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.160 -8.054 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.282 -8.572 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.663 -9.715 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.199 -7.673 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.790 -9.318 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.808 -7.911 1.275 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.275 -7.493 4.905 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.470 -6.751 5.294 1.00 0.00 C ATOM 1042 C HIS A 71 -6.353 -5.283 4.895 1.00 0.00 C ATOM 1043 O HIS A 71 -5.429 -4.587 5.316 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.697 -6.865 6.802 1.00 0.00 C ATOM 1045 CG HIS A 71 -8.108 -6.588 7.219 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.141 -7.478 7.011 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.656 -5.514 7.833 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.264 -6.961 7.481 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.996 -5.770 7.985 1.00 0.00 N ATOM 0 H HIS A 71 -4.443 -7.267 5.449 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.323 -7.184 4.771 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.421 -7.868 7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.032 -6.169 7.315 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.053 -8.391 6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.136 -4.621 8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.235 -7.433 7.457 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.295 -4.821 4.079 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.297 -3.437 3.624 1.00 0.00 C ATOM 1059 C ILE A 72 -7.990 -2.527 4.633 1.00 0.00 C ATOM 1060 O ILE A 72 -9.210 -2.569 4.787 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.995 -3.295 2.258 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.528 -4.396 1.304 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.724 -1.921 1.664 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.138 -4.167 0.754 1.00 0.00 C ATOM 0 H ILE A 72 -8.066 -5.385 3.720 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.254 -3.136 3.524 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.070 -3.400 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.551 -5.352 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.231 -4.469 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.224 -1.837 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.103 -1.152 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.651 -1.788 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.872 -4.986 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.115 -3.227 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.424 -4.123 1.576 1.00 0.00 H new ATOM 1076 N SER A 73 -7.201 -1.704 5.317 1.00 0.00 N ATOM 1077 CA SER A 73 -7.737 -0.785 6.314 1.00 0.00 C ATOM 1078 C SER A 73 -6.949 0.521 6.328 1.00 0.00 C ATOM 1079 O SER A 73 -5.966 0.674 5.604 1.00 0.00 O ATOM 1080 CB SER A 73 -7.706 -1.428 7.702 1.00 0.00 C ATOM 1081 OG SER A 73 -8.901 -1.160 8.415 1.00 0.00 O ATOM 0 H SER A 73 -6.189 -1.655 5.199 1.00 0.00 H new ATOM 0 HA SER A 73 -8.771 -0.563 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.571 -2.505 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.852 -1.049 8.263 1.00 0.00 H new ATOM 0 HG SER A 73 -8.857 -1.583 9.298 1.00 0.00 H new