USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 50 ASN : amide:sc= 0.254 K(o=0.3,f=-1.4) USER MOD Set 1.2: A 53 SER OG : rot 142:sc= 0.0416 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0401 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0531 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.06 K(o=-4.1,f=-5.1!) USER MOD Single : A 12 CYS SG : rot 15:sc= 0.00652 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000978 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -45:sc= 0.622 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.54! C(o=-4.5!,f=-6.9!) USER MOD Single : A 33 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.0092) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.03! C(o=-2!,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.118 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.582 3.132 10.685 1.00 0.00 N ATOM 2 CA GLY A 1 26.475 3.354 9.773 1.00 0.00 C ATOM 3 C GLY A 1 26.006 4.795 9.771 1.00 0.00 C ATOM 4 O GLY A 1 26.204 5.521 10.745 1.00 0.00 O ATOM 0 H1 GLY A 1 28.441 2.915 10.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.740 3.988 11.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.359 2.334 11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.777 3.072 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.644 2.705 10.050 1.00 0.00 H new ATOM 8 N SER A 2 25.384 5.212 8.673 1.00 0.00 N ATOM 9 CA SER A 2 24.891 6.578 8.545 1.00 0.00 C ATOM 10 C SER A 2 23.940 6.921 9.688 1.00 0.00 C ATOM 11 O SER A 2 23.618 6.071 10.519 1.00 0.00 O ATOM 12 CB SER A 2 24.180 6.763 7.203 1.00 0.00 C ATOM 13 OG SER A 2 23.978 8.137 6.919 1.00 0.00 O ATOM 0 H SER A 2 25.209 4.623 7.859 1.00 0.00 H new ATOM 0 HA SER A 2 25.746 7.252 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.771 6.307 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.220 6.247 7.222 1.00 0.00 H new ATOM 0 HG SER A 2 23.524 8.229 6.056 1.00 0.00 H new ATOM 19 N SER A 3 23.493 8.172 9.723 1.00 0.00 N ATOM 20 CA SER A 3 22.582 8.630 10.765 1.00 0.00 C ATOM 21 C SER A 3 21.130 8.482 10.321 1.00 0.00 C ATOM 22 O SER A 3 20.324 7.843 10.997 1.00 0.00 O ATOM 23 CB SER A 3 22.872 10.089 11.121 1.00 0.00 C ATOM 24 OG SER A 3 22.104 10.504 12.237 1.00 0.00 O ATOM 0 H SER A 3 23.747 8.887 9.041 1.00 0.00 H new ATOM 0 HA SER A 3 22.739 8.010 11.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.933 10.209 11.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.650 10.727 10.265 1.00 0.00 H new ATOM 0 HG SER A 3 22.309 11.439 12.445 1.00 0.00 H new ATOM 30 N GLY A 4 20.803 9.078 9.178 1.00 0.00 N ATOM 31 CA GLY A 4 19.449 9.002 8.662 1.00 0.00 C ATOM 32 C GLY A 4 19.189 10.015 7.565 1.00 0.00 C ATOM 33 O GLY A 4 20.042 10.851 7.268 1.00 0.00 O ATOM 0 H GLY A 4 21.452 9.612 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.266 7.999 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.743 9.164 9.477 1.00 0.00 H new ATOM 37 N SER A 5 18.007 9.940 6.961 1.00 0.00 N ATOM 38 CA SER A 5 17.639 10.855 5.887 1.00 0.00 C ATOM 39 C SER A 5 17.550 12.289 6.401 1.00 0.00 C ATOM 40 O SER A 5 16.491 12.739 6.837 1.00 0.00 O ATOM 41 CB SER A 5 16.302 10.439 5.270 1.00 0.00 C ATOM 42 OG SER A 5 16.475 9.376 4.348 1.00 0.00 O ATOM 0 H SER A 5 17.289 9.256 7.197 1.00 0.00 H new ATOM 0 HA SER A 5 18.414 10.809 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.614 10.133 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.849 11.293 4.765 1.00 0.00 H new ATOM 0 HG SER A 5 15.606 9.127 3.969 1.00 0.00 H new ATOM 48 N SER A 6 18.671 13.001 6.346 1.00 0.00 N ATOM 49 CA SER A 6 18.723 14.383 6.809 1.00 0.00 C ATOM 50 C SER A 6 17.770 15.261 6.004 1.00 0.00 C ATOM 51 O SER A 6 17.482 14.981 4.841 1.00 0.00 O ATOM 52 CB SER A 6 20.149 14.926 6.702 1.00 0.00 C ATOM 53 OG SER A 6 20.484 15.217 5.357 1.00 0.00 O ATOM 0 H SER A 6 19.556 12.644 5.985 1.00 0.00 H new ATOM 0 HA SER A 6 18.413 14.402 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.245 15.828 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.851 14.196 7.105 1.00 0.00 H new ATOM 0 HG SER A 6 21.400 15.564 5.316 1.00 0.00 H new ATOM 59 N GLY A 7 17.284 16.327 6.632 1.00 0.00 N ATOM 60 CA GLY A 7 16.369 17.231 5.960 1.00 0.00 C ATOM 61 C GLY A 7 15.158 17.567 6.809 1.00 0.00 C ATOM 62 O GLY A 7 14.261 16.741 6.977 1.00 0.00 O ATOM 0 H GLY A 7 17.508 16.581 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.895 18.150 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.039 16.780 5.024 1.00 0.00 H new ATOM 66 N SER A 8 15.133 18.782 7.346 1.00 0.00 N ATOM 67 CA SER A 8 14.026 19.224 8.186 1.00 0.00 C ATOM 68 C SER A 8 12.748 19.372 7.367 1.00 0.00 C ATOM 69 O SER A 8 12.476 20.435 6.810 1.00 0.00 O ATOM 70 CB SER A 8 14.369 20.552 8.862 1.00 0.00 C ATOM 71 OG SER A 8 13.510 20.802 9.961 1.00 0.00 O ATOM 0 H SER A 8 15.867 19.478 7.215 1.00 0.00 H new ATOM 0 HA SER A 8 13.860 18.467 8.953 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.404 20.534 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.286 21.364 8.139 1.00 0.00 H new ATOM 0 HG SER A 8 13.751 21.656 10.377 1.00 0.00 H new ATOM 77 N GLN A 9 11.967 18.298 7.299 1.00 0.00 N ATOM 78 CA GLN A 9 10.718 18.309 6.547 1.00 0.00 C ATOM 79 C GLN A 9 9.909 19.564 6.854 1.00 0.00 C ATOM 80 O GLN A 9 9.359 20.196 5.952 1.00 0.00 O ATOM 81 CB GLN A 9 9.892 17.063 6.873 1.00 0.00 C ATOM 82 CG GLN A 9 9.588 16.904 8.354 1.00 0.00 C ATOM 83 CD GLN A 9 8.309 17.606 8.765 1.00 0.00 C ATOM 84 OE1 GLN A 9 7.314 17.584 8.040 1.00 0.00 O ATOM 85 NE2 GLN A 9 8.328 18.233 9.936 1.00 0.00 N ATOM 0 H GLN A 9 12.177 17.410 7.755 1.00 0.00 H new ATOM 0 HA GLN A 9 10.962 18.307 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.953 17.105 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.428 16.180 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.509 15.843 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.419 17.301 8.936 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.175 18.226 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.496 18.722 10.266 1.00 0.00 H new ATOM 94 N GLY A 10 9.840 19.921 8.133 1.00 0.00 N ATOM 95 CA GLY A 10 9.095 21.099 8.536 1.00 0.00 C ATOM 96 C GLY A 10 7.656 21.066 8.061 1.00 0.00 C ATOM 97 O GLY A 10 7.008 20.019 8.095 1.00 0.00 O ATOM 0 H GLY A 10 10.287 19.415 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.114 21.183 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.585 21.988 8.139 1.00 0.00 H new ATOM 101 N ASP A 11 7.153 22.213 7.619 1.00 0.00 N ATOM 102 CA ASP A 11 5.781 22.311 7.136 1.00 0.00 C ATOM 103 C ASP A 11 5.714 22.057 5.633 1.00 0.00 C ATOM 104 O ASP A 11 5.989 22.949 4.830 1.00 0.00 O ATOM 105 CB ASP A 11 5.201 23.690 7.459 1.00 0.00 C ATOM 106 CG ASP A 11 6.078 24.819 6.954 1.00 0.00 C ATOM 107 OD1 ASP A 11 7.217 24.952 7.449 1.00 0.00 O ATOM 108 OD2 ASP A 11 5.626 25.568 6.064 1.00 0.00 O ATOM 0 H ASP A 11 7.675 23.089 7.585 1.00 0.00 H new ATOM 0 HA ASP A 11 5.189 21.548 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.210 23.777 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.076 23.785 8.538 1.00 0.00 H new ATOM 113 N CYS A 12 5.349 20.835 5.261 1.00 0.00 N ATOM 114 CA CYS A 12 5.248 20.462 3.855 1.00 0.00 C ATOM 115 C CYS A 12 3.797 20.500 3.385 1.00 0.00 C ATOM 116 O CYS A 12 2.872 20.347 4.182 1.00 0.00 O ATOM 117 CB CYS A 12 5.832 19.066 3.633 1.00 0.00 C ATOM 118 SG CYS A 12 4.850 17.732 4.357 1.00 0.00 S ATOM 0 H CYS A 12 5.118 20.086 5.914 1.00 0.00 H new ATOM 0 HA CYS A 12 5.819 21.184 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.929 18.891 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.837 19.033 4.054 1.00 0.00 H new ATOM 0 HG CYS A 12 3.670 18.181 4.667 1.00 0.00 H new ATOM 124 N SER A 13 3.606 20.708 2.086 1.00 0.00 N ATOM 125 CA SER A 13 2.268 20.772 1.510 1.00 0.00 C ATOM 126 C SER A 13 2.109 19.749 0.389 1.00 0.00 C ATOM 127 O SER A 13 1.457 20.015 -0.621 1.00 0.00 O ATOM 128 CB SER A 13 1.986 22.178 0.977 1.00 0.00 C ATOM 129 OG SER A 13 1.488 23.021 2.001 1.00 0.00 O ATOM 0 H SER A 13 4.361 20.835 1.412 1.00 0.00 H new ATOM 0 HA SER A 13 1.550 20.538 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.900 22.604 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.263 22.124 0.163 1.00 0.00 H new ATOM 0 HG SER A 13 1.317 23.914 1.635 1.00 0.00 H new ATOM 135 N TYR A 14 2.710 18.579 0.575 1.00 0.00 N ATOM 136 CA TYR A 14 2.639 17.517 -0.421 1.00 0.00 C ATOM 137 C TYR A 14 2.585 16.146 0.248 1.00 0.00 C ATOM 138 O TYR A 14 3.366 15.855 1.154 1.00 0.00 O ATOM 139 CB TYR A 14 3.841 17.590 -1.363 1.00 0.00 C ATOM 140 CG TYR A 14 5.089 18.140 -0.711 1.00 0.00 C ATOM 141 CD1 TYR A 14 5.237 19.503 -0.488 1.00 0.00 C ATOM 142 CD2 TYR A 14 6.121 17.296 -0.318 1.00 0.00 C ATOM 143 CE1 TYR A 14 6.376 20.011 0.108 1.00 0.00 C ATOM 144 CE2 TYR A 14 7.263 17.794 0.279 1.00 0.00 C ATOM 145 CZ TYR A 14 7.386 19.152 0.490 1.00 0.00 C ATOM 146 OH TYR A 14 8.522 19.652 1.083 1.00 0.00 O ATOM 0 H TYR A 14 3.252 18.342 1.406 1.00 0.00 H new ATOM 0 HA TYR A 14 1.725 17.656 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.052 16.592 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.584 18.214 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.448 20.178 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.029 16.233 -0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.475 21.074 0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.055 17.124 0.579 1.00 0.00 H new ATOM 0 HH TYR A 14 9.134 18.915 1.291 1.00 0.00 H new ATOM 156 N SER A 15 1.659 15.309 -0.207 1.00 0.00 N ATOM 157 CA SER A 15 1.501 13.970 0.348 1.00 0.00 C ATOM 158 C SER A 15 2.545 13.017 -0.225 1.00 0.00 C ATOM 159 O SER A 15 2.208 12.025 -0.873 1.00 0.00 O ATOM 160 CB SER A 15 0.095 13.438 0.059 1.00 0.00 C ATOM 161 OG SER A 15 -0.894 14.382 0.430 1.00 0.00 O ATOM 0 H SER A 15 1.007 15.534 -0.958 1.00 0.00 H new ATOM 0 HA SER A 15 1.644 14.032 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.001 13.207 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.064 12.507 0.603 1.00 0.00 H new ATOM 0 HG SER A 15 -1.783 14.019 0.234 1.00 0.00 H new ATOM 167 N ARG A 16 3.815 13.325 0.018 1.00 0.00 N ATOM 168 CA ARG A 16 4.910 12.498 -0.475 1.00 0.00 C ATOM 169 C ARG A 16 5.168 11.323 0.464 1.00 0.00 C ATOM 170 O ARG A 16 5.447 10.209 0.021 1.00 0.00 O ATOM 171 CB ARG A 16 6.182 13.334 -0.625 1.00 0.00 C ATOM 172 CG ARG A 16 6.271 14.075 -1.949 1.00 0.00 C ATOM 173 CD ARG A 16 7.677 14.595 -2.203 1.00 0.00 C ATOM 174 NE ARG A 16 8.658 13.515 -2.266 1.00 0.00 N ATOM 175 CZ ARG A 16 8.788 12.701 -3.308 1.00 0.00 C ATOM 176 NH1 ARG A 16 8.005 12.845 -4.368 1.00 0.00 N ATOM 177 NH2 ARG A 16 9.705 11.742 -3.291 1.00 0.00 N ATOM 0 H ARG A 16 4.111 14.141 0.553 1.00 0.00 H new ATOM 0 HA ARG A 16 4.625 12.106 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.230 14.056 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.049 12.682 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.976 13.409 -2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.568 14.908 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.693 15.154 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.955 15.291 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 16 9.277 13.378 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.300 13.582 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.107 12.219 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.310 11.630 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.804 11.117 -4.091 1.00 0.00 H new ATOM 191 N THR A 17 5.076 11.581 1.765 1.00 0.00 N ATOM 192 CA THR A 17 5.301 10.546 2.767 1.00 0.00 C ATOM 193 C THR A 17 3.986 9.924 3.221 1.00 0.00 C ATOM 194 O THR A 17 3.827 9.567 4.388 1.00 0.00 O ATOM 195 CB THR A 17 6.042 11.107 3.996 1.00 0.00 C ATOM 196 OG1 THR A 17 5.415 12.316 4.436 1.00 0.00 O ATOM 197 CG2 THR A 17 7.503 11.376 3.671 1.00 0.00 C ATOM 0 H THR A 17 4.847 12.498 2.149 1.00 0.00 H new ATOM 0 HA THR A 17 5.918 9.780 2.297 1.00 0.00 H new ATOM 0 HB THR A 17 5.995 10.364 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.891 12.665 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.005 11.771 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.985 10.447 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.568 12.102 2.861 1.00 0.00 H new ATOM 205 N ALA A 18 3.045 9.797 2.291 1.00 0.00 N ATOM 206 CA ALA A 18 1.743 9.215 2.595 1.00 0.00 C ATOM 207 C ALA A 18 1.803 7.691 2.567 1.00 0.00 C ATOM 208 O ALA A 18 1.638 7.034 3.596 1.00 0.00 O ATOM 209 CB ALA A 18 0.696 9.722 1.615 1.00 0.00 C ATOM 0 H ALA A 18 3.160 10.089 1.321 1.00 0.00 H new ATOM 0 HA ALA A 18 1.461 9.523 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.271 9.279 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.626 10.807 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.982 9.443 0.601 1.00 0.00 H new ATOM 215 N LEU A 19 2.040 7.135 1.385 1.00 0.00 N ATOM 216 CA LEU A 19 2.121 5.687 1.222 1.00 0.00 C ATOM 217 C LEU A 19 3.073 5.077 2.246 1.00 0.00 C ATOM 218 O LEU A 19 3.033 3.874 2.506 1.00 0.00 O ATOM 219 CB LEU A 19 2.584 5.338 -0.193 1.00 0.00 C ATOM 220 CG LEU A 19 2.007 6.197 -1.319 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.260 5.546 -2.670 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.517 6.425 -1.106 1.00 0.00 C ATOM 0 H LEU A 19 2.180 7.664 0.524 1.00 0.00 H new ATOM 0 HA LEU A 19 1.127 5.271 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.671 5.412 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.330 4.297 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 19 2.508 7.165 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.842 6.171 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.333 5.435 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.786 4.565 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.123 7.038 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.000 5.465 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.359 6.935 -0.156 1.00 0.00 H new ATOM 234 N TYR A 20 3.926 5.914 2.825 1.00 0.00 N ATOM 235 CA TYR A 20 4.889 5.458 3.821 1.00 0.00 C ATOM 236 C TYR A 20 4.320 5.593 5.230 1.00 0.00 C ATOM 237 O TYR A 20 4.622 4.790 6.113 1.00 0.00 O ATOM 238 CB TYR A 20 6.190 6.253 3.705 1.00 0.00 C ATOM 239 CG TYR A 20 6.755 6.290 2.303 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.185 7.094 1.324 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.859 5.520 1.957 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.697 7.130 0.042 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.378 5.551 0.677 1.00 0.00 C ATOM 244 CZ TYR A 20 7.794 6.357 -0.277 1.00 0.00 C ATOM 245 OH TYR A 20 8.307 6.391 -1.553 1.00 0.00 O ATOM 0 H TYR A 20 3.971 6.913 2.622 1.00 0.00 H new ATOM 0 HA TYR A 20 5.098 4.405 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.013 7.274 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.932 5.819 4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.327 7.701 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.319 4.887 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.241 7.760 -0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.237 4.947 0.425 1.00 0.00 H new ATOM 0 HH TYR A 20 9.079 5.790 -1.611 1.00 0.00 H new ATOM 255 N ASP A 21 3.495 6.614 5.432 1.00 0.00 N ATOM 256 CA ASP A 21 2.882 6.856 6.733 1.00 0.00 C ATOM 257 C ASP A 21 1.802 5.819 7.026 1.00 0.00 C ATOM 258 O ASP A 21 1.697 5.314 8.144 1.00 0.00 O ATOM 259 CB ASP A 21 2.284 8.263 6.786 1.00 0.00 C ATOM 260 CG ASP A 21 1.358 8.454 7.971 1.00 0.00 C ATOM 261 OD1 ASP A 21 0.408 7.655 8.117 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.582 9.402 8.752 1.00 0.00 O ATOM 0 H ASP A 21 3.235 7.288 4.712 1.00 0.00 H new ATOM 0 HA ASP A 21 3.658 6.771 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.090 8.995 6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.735 8.456 5.865 1.00 0.00 H new ATOM 267 N LEU A 22 1.000 5.507 6.014 1.00 0.00 N ATOM 268 CA LEU A 22 -0.074 4.531 6.162 1.00 0.00 C ATOM 269 C LEU A 22 0.452 3.229 6.758 1.00 0.00 C ATOM 270 O LEU A 22 -0.130 2.682 7.696 1.00 0.00 O ATOM 271 CB LEU A 22 -0.731 4.257 4.808 1.00 0.00 C ATOM 272 CG LEU A 22 -1.741 5.300 4.329 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.044 6.389 3.528 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.835 4.643 3.500 1.00 0.00 C ATOM 0 H LEU A 22 1.073 5.916 5.082 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.818 4.946 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.054 4.169 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.233 3.291 4.859 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.202 5.759 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.778 7.122 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.298 6.880 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.555 5.946 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.545 5.401 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.391 4.156 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.354 3.900 4.106 1.00 0.00 H new ATOM 286 N LEU A 23 1.557 2.737 6.208 1.00 0.00 N ATOM 287 CA LEU A 23 2.164 1.500 6.687 1.00 0.00 C ATOM 288 C LEU A 23 3.078 1.767 7.878 1.00 0.00 C ATOM 289 O LEU A 23 3.190 0.942 8.784 1.00 0.00 O ATOM 290 CB LEU A 23 2.956 0.829 5.563 1.00 0.00 C ATOM 291 CG LEU A 23 2.179 -0.161 4.693 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.959 0.509 4.081 1.00 0.00 C ATOM 293 CD2 LEU A 23 3.077 -0.735 3.607 1.00 0.00 C ATOM 0 H LEU A 23 2.051 3.176 5.430 1.00 0.00 H new ATOM 0 HA LEU A 23 1.364 0.833 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.363 1.607 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.804 0.306 6.005 1.00 0.00 H new ATOM 0 HG LEU A 23 1.838 -0.981 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.419 -0.211 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.305 0.870 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.277 1.349 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.508 -1.437 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.449 0.073 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.919 -1.253 4.067 1.00 0.00 H new ATOM 305 N GLY A 24 3.728 2.926 7.871 1.00 0.00 N ATOM 306 CA GLY A 24 4.622 3.283 8.957 1.00 0.00 C ATOM 307 C GLY A 24 6.069 2.952 8.650 1.00 0.00 C ATOM 308 O GLY A 24 6.911 2.920 9.547 1.00 0.00 O ATOM 0 H GLY A 24 3.652 3.625 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.532 4.350 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.317 2.758 9.862 1.00 0.00 H new ATOM 312 N VAL A 25 6.360 2.704 7.377 1.00 0.00 N ATOM 313 CA VAL A 25 7.715 2.373 6.952 1.00 0.00 C ATOM 314 C VAL A 25 8.462 3.616 6.483 1.00 0.00 C ATOM 315 O VAL A 25 7.875 4.565 5.963 1.00 0.00 O ATOM 316 CB VAL A 25 7.709 1.331 5.818 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.892 0.112 6.216 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.175 1.946 4.533 1.00 0.00 C ATOM 0 H VAL A 25 5.675 2.726 6.622 1.00 0.00 H new ATOM 0 HA VAL A 25 8.225 1.952 7.818 1.00 0.00 H new ATOM 0 HB VAL A 25 8.735 1.007 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.900 -0.613 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.324 -0.340 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.865 0.414 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.178 1.196 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.157 2.299 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.808 2.784 4.240 1.00 0.00 H new ATOM 328 N PRO A 26 9.791 3.613 6.668 1.00 0.00 N ATOM 329 CA PRO A 26 10.649 4.733 6.269 1.00 0.00 C ATOM 330 C PRO A 26 10.762 4.865 4.754 1.00 0.00 C ATOM 331 O PRO A 26 10.246 4.033 4.009 1.00 0.00 O ATOM 332 CB PRO A 26 12.007 4.374 6.878 1.00 0.00 C ATOM 333 CG PRO A 26 11.987 2.889 6.998 1.00 0.00 C ATOM 334 CD PRO A 26 10.558 2.515 7.281 1.00 0.00 C ATOM 0 HA PRO A 26 10.254 5.690 6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.827 4.709 6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.143 4.848 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.339 2.419 6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.644 2.554 7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.300 1.551 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.367 2.440 8.351 1.00 0.00 H new ATOM 342 N SER A 27 11.440 5.916 4.306 1.00 0.00 N ATOM 343 CA SER A 27 11.618 6.159 2.879 1.00 0.00 C ATOM 344 C SER A 27 12.572 5.136 2.269 1.00 0.00 C ATOM 345 O SER A 27 12.548 4.889 1.063 1.00 0.00 O ATOM 346 CB SER A 27 12.151 7.574 2.644 1.00 0.00 C ATOM 347 OG SER A 27 13.418 7.750 3.253 1.00 0.00 O ATOM 0 H SER A 27 11.875 6.613 4.910 1.00 0.00 H new ATOM 0 HA SER A 27 10.647 6.059 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.229 7.763 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.447 8.303 3.046 1.00 0.00 H new ATOM 0 HG SER A 27 13.737 8.662 3.087 1.00 0.00 H new ATOM 353 N THR A 28 13.413 4.544 3.111 1.00 0.00 N ATOM 354 CA THR A 28 14.375 3.549 2.656 1.00 0.00 C ATOM 355 C THR A 28 14.056 2.173 3.230 1.00 0.00 C ATOM 356 O THR A 28 14.926 1.305 3.307 1.00 0.00 O ATOM 357 CB THR A 28 15.813 3.937 3.052 1.00 0.00 C ATOM 358 OG1 THR A 28 16.751 3.088 2.381 1.00 0.00 O ATOM 359 CG2 THR A 28 16.008 3.827 4.557 1.00 0.00 C ATOM 0 H THR A 28 13.447 4.737 4.112 1.00 0.00 H new ATOM 0 HA THR A 28 14.302 3.512 1.569 1.00 0.00 H new ATOM 0 HB THR A 28 15.982 4.972 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.453 2.157 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.030 4.106 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.312 4.495 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.822 2.801 4.874 1.00 0.00 H new ATOM 367 N ALA A 29 12.804 1.980 3.630 1.00 0.00 N ATOM 368 CA ALA A 29 12.370 0.707 4.193 1.00 0.00 C ATOM 369 C ALA A 29 12.694 -0.449 3.253 1.00 0.00 C ATOM 370 O ALA A 29 13.171 -0.241 2.137 1.00 0.00 O ATOM 371 CB ALA A 29 10.878 0.744 4.493 1.00 0.00 C ATOM 0 H ALA A 29 12.072 2.688 3.575 1.00 0.00 H new ATOM 0 HA ALA A 29 12.913 0.546 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.567 -0.213 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.670 1.539 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.326 0.932 3.572 1.00 0.00 H new ATOM 377 N THR A 30 12.432 -1.669 3.711 1.00 0.00 N ATOM 378 CA THR A 30 12.697 -2.858 2.911 1.00 0.00 C ATOM 379 C THR A 30 11.437 -3.699 2.742 1.00 0.00 C ATOM 380 O THR A 30 10.509 -3.610 3.544 1.00 0.00 O ATOM 381 CB THR A 30 13.799 -3.728 3.546 1.00 0.00 C ATOM 382 OG1 THR A 30 13.388 -4.169 4.845 1.00 0.00 O ATOM 383 CG2 THR A 30 15.103 -2.952 3.658 1.00 0.00 C ATOM 0 H THR A 30 12.037 -1.859 4.632 1.00 0.00 H new ATOM 0 HA THR A 30 13.034 -2.513 1.934 1.00 0.00 H new ATOM 0 HB THR A 30 13.963 -4.594 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.093 -4.723 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.866 -3.586 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.429 -2.643 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.950 -2.070 4.280 1.00 0.00 H new ATOM 391 N GLN A 31 11.413 -4.515 1.693 1.00 0.00 N ATOM 392 CA GLN A 31 10.265 -5.372 1.419 1.00 0.00 C ATOM 393 C GLN A 31 9.738 -6.004 2.703 1.00 0.00 C ATOM 394 O GLN A 31 8.529 -6.129 2.894 1.00 0.00 O ATOM 395 CB GLN A 31 10.645 -6.465 0.418 1.00 0.00 C ATOM 396 CG GLN A 31 11.503 -7.568 1.018 1.00 0.00 C ATOM 397 CD GLN A 31 10.683 -8.617 1.741 1.00 0.00 C ATOM 398 OE1 GLN A 31 10.963 -8.957 2.891 1.00 0.00 O ATOM 399 NE2 GLN A 31 9.663 -9.138 1.070 1.00 0.00 N ATOM 0 H GLN A 31 12.174 -4.601 1.020 1.00 0.00 H new ATOM 0 HA GLN A 31 9.477 -4.754 0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.735 -6.905 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.181 -6.012 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.080 -8.046 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.219 -7.129 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.466 -8.827 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.076 -9.849 1.506 1.00 0.00 H new ATOM 408 N ALA A 32 10.654 -6.399 3.581 1.00 0.00 N ATOM 409 CA ALA A 32 10.282 -7.016 4.848 1.00 0.00 C ATOM 410 C ALA A 32 9.350 -6.110 5.647 1.00 0.00 C ATOM 411 O ALA A 32 8.351 -6.567 6.202 1.00 0.00 O ATOM 412 CB ALA A 32 11.525 -7.346 5.661 1.00 0.00 C ATOM 0 H ALA A 32 11.659 -6.303 3.438 1.00 0.00 H new ATOM 0 HA ALA A 32 9.749 -7.941 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.231 -7.806 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.154 -8.038 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.082 -6.431 5.862 1.00 0.00 H new ATOM 418 N GLN A 33 9.685 -4.825 5.701 1.00 0.00 N ATOM 419 CA GLN A 33 8.879 -3.856 6.434 1.00 0.00 C ATOM 420 C GLN A 33 7.604 -3.518 5.667 1.00 0.00 C ATOM 421 O GLN A 33 6.497 -3.718 6.166 1.00 0.00 O ATOM 422 CB GLN A 33 9.685 -2.583 6.694 1.00 0.00 C ATOM 423 CG GLN A 33 10.929 -2.812 7.536 1.00 0.00 C ATOM 424 CD GLN A 33 11.576 -1.516 7.986 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.787 -1.334 7.852 1.00 0.00 O ATOM 426 NE2 GLN A 33 10.771 -0.607 8.523 1.00 0.00 N ATOM 0 H GLN A 33 10.509 -4.431 5.246 1.00 0.00 H new ATOM 0 HA GLN A 33 8.600 -4.301 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.978 -2.147 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.047 -1.855 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.666 -3.406 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.650 -3.393 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.774 -0.800 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.150 0.284 8.844 1.00 0.00 H new ATOM 435 N ILE A 34 7.769 -3.005 4.453 1.00 0.00 N ATOM 436 CA ILE A 34 6.632 -2.640 3.617 1.00 0.00 C ATOM 437 C ILE A 34 5.591 -3.753 3.589 1.00 0.00 C ATOM 438 O ILE A 34 4.399 -3.500 3.411 1.00 0.00 O ATOM 439 CB ILE A 34 7.071 -2.326 2.175 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.097 -1.191 2.166 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.865 -1.963 1.321 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.771 -0.997 0.825 1.00 0.00 C ATOM 0 H ILE A 34 8.679 -2.833 4.026 1.00 0.00 H new ATOM 0 HA ILE A 34 6.192 -1.745 4.057 1.00 0.00 H new ATOM 0 HB ILE A 34 7.537 -3.216 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.603 -0.263 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.858 -1.393 2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.192 -1.744 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.166 -2.799 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.373 -1.086 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.485 -0.176 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.294 -1.911 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.020 -0.763 0.071 1.00 0.00 H new ATOM 454 N LYS A 35 6.048 -4.988 3.768 1.00 0.00 N ATOM 455 CA LYS A 35 5.157 -6.142 3.767 1.00 0.00 C ATOM 456 C LYS A 35 4.482 -6.309 5.125 1.00 0.00 C ATOM 457 O LYS A 35 3.261 -6.204 5.239 1.00 0.00 O ATOM 458 CB LYS A 35 5.933 -7.412 3.412 1.00 0.00 C ATOM 459 CG LYS A 35 5.049 -8.630 3.212 1.00 0.00 C ATOM 460 CD LYS A 35 5.796 -9.754 2.515 1.00 0.00 C ATOM 461 CE LYS A 35 5.032 -11.066 2.596 1.00 0.00 C ATOM 462 NZ LYS A 35 5.910 -12.238 2.323 1.00 0.00 N ATOM 0 H LYS A 35 7.031 -5.215 3.916 1.00 0.00 H new ATOM 0 HA LYS A 35 4.386 -5.973 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.505 -7.235 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.652 -7.622 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.685 -8.979 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.175 -8.353 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.959 -9.491 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.779 -9.876 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.589 -11.167 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.211 -11.053 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.351 -13.113 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.313 -12.155 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.679 -12.266 3.022 1.00 0.00 H new ATOM 476 N ALA A 36 5.284 -6.570 6.151 1.00 0.00 N ATOM 477 CA ALA A 36 4.765 -6.748 7.501 1.00 0.00 C ATOM 478 C ALA A 36 3.785 -5.637 7.864 1.00 0.00 C ATOM 479 O ALA A 36 2.798 -5.869 8.561 1.00 0.00 O ATOM 480 CB ALA A 36 5.907 -6.795 8.505 1.00 0.00 C ATOM 0 H ALA A 36 6.297 -6.663 6.073 1.00 0.00 H new ATOM 0 HA ALA A 36 4.228 -7.696 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.504 -6.928 9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.568 -7.628 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.469 -5.862 8.461 1.00 0.00 H new ATOM 486 N ALA A 37 4.066 -4.428 7.387 1.00 0.00 N ATOM 487 CA ALA A 37 3.208 -3.282 7.659 1.00 0.00 C ATOM 488 C ALA A 37 1.813 -3.488 7.079 1.00 0.00 C ATOM 489 O ALA A 37 0.835 -3.606 7.817 1.00 0.00 O ATOM 490 CB ALA A 37 3.832 -2.012 7.100 1.00 0.00 C ATOM 0 H ALA A 37 4.881 -4.218 6.811 1.00 0.00 H new ATOM 0 HA ALA A 37 3.111 -3.182 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.181 -1.164 7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.803 -1.848 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.960 -2.113 6.022 1.00 0.00 H new ATOM 496 N TYR A 38 1.729 -3.531 5.754 1.00 0.00 N ATOM 497 CA TYR A 38 0.453 -3.720 5.075 1.00 0.00 C ATOM 498 C TYR A 38 -0.370 -4.810 5.756 1.00 0.00 C ATOM 499 O TYR A 38 -1.599 -4.750 5.783 1.00 0.00 O ATOM 500 CB TYR A 38 0.681 -4.080 3.606 1.00 0.00 C ATOM 501 CG TYR A 38 -0.547 -4.636 2.921 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.521 -3.790 2.406 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.733 -6.007 2.790 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.645 -4.293 1.780 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.853 -6.519 2.164 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.806 -5.658 1.661 1.00 0.00 C ATOM 507 OH TYR A 38 -3.924 -6.164 1.038 1.00 0.00 O ATOM 0 H TYR A 38 2.530 -3.438 5.129 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.101 -2.783 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.014 -3.191 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.486 -4.812 3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.397 -2.721 2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.011 -6.684 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.393 -3.621 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.982 -7.587 2.069 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.883 -7.143 1.037 1.00 0.00 H new ATOM 517 N TYR A 39 0.318 -5.804 6.306 1.00 0.00 N ATOM 518 CA TYR A 39 -0.347 -6.910 6.985 1.00 0.00 C ATOM 519 C TYR A 39 -0.919 -6.460 8.326 1.00 0.00 C ATOM 520 O TYR A 39 -2.136 -6.397 8.505 1.00 0.00 O ATOM 521 CB TYR A 39 0.629 -8.068 7.197 1.00 0.00 C ATOM 522 CG TYR A 39 0.650 -9.059 6.056 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.502 -9.736 5.677 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.823 -9.320 5.357 1.00 0.00 C ATOM 525 CE1 TYR A 39 -0.488 -10.643 4.635 1.00 0.00 C ATOM 526 CE2 TYR A 39 1.846 -10.224 4.314 1.00 0.00 C ATOM 527 CZ TYR A 39 0.688 -10.883 3.956 1.00 0.00 C ATOM 528 OH TYR A 39 0.708 -11.786 2.918 1.00 0.00 O ATOM 0 H TYR A 39 1.336 -5.867 6.295 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.169 -7.248 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.632 -7.666 7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.365 -8.591 8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.425 -9.550 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.732 -8.807 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.393 -11.161 4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.766 -10.414 3.781 1.00 0.00 H new ATOM 0 HH TYR A 39 1.613 -11.837 2.546 1.00 0.00 H new ATOM 538 N ARG A 40 -0.032 -6.147 9.265 1.00 0.00 N ATOM 539 CA ARG A 40 -0.447 -5.703 10.590 1.00 0.00 C ATOM 540 C ARG A 40 -1.518 -4.620 10.490 1.00 0.00 C ATOM 541 O ARG A 40 -2.280 -4.399 11.431 1.00 0.00 O ATOM 542 CB ARG A 40 0.756 -5.175 11.374 1.00 0.00 C ATOM 543 CG ARG A 40 1.229 -3.806 10.914 1.00 0.00 C ATOM 544 CD ARG A 40 2.282 -3.236 11.853 1.00 0.00 C ATOM 545 NE ARG A 40 3.621 -3.724 11.534 1.00 0.00 N ATOM 546 CZ ARG A 40 4.666 -3.580 12.340 1.00 0.00 C ATOM 547 NH1 ARG A 40 4.529 -2.966 13.507 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.853 -4.051 11.980 1.00 0.00 N ATOM 0 H ARG A 40 0.978 -6.193 9.133 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.868 -6.559 11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.496 -5.124 12.431 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.579 -5.884 11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.640 -3.881 9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.380 -3.125 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.269 -2.148 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.034 -3.503 12.880 1.00 0.00 H new ATOM 0 HE ARG A 40 3.761 -4.201 10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.618 -2.602 13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.334 -2.857 14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.963 -4.524 11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.655 -3.940 12.600 1.00 0.00 H new ATOM 562 N GLN A 41 -1.568 -3.948 9.345 1.00 0.00 N ATOM 563 CA GLN A 41 -2.544 -2.888 9.123 1.00 0.00 C ATOM 564 C GLN A 41 -3.956 -3.457 9.038 1.00 0.00 C ATOM 565 O GLN A 41 -4.810 -3.154 9.873 1.00 0.00 O ATOM 566 CB GLN A 41 -2.213 -2.120 7.842 1.00 0.00 C ATOM 567 CG GLN A 41 -1.139 -1.060 8.029 1.00 0.00 C ATOM 568 CD GLN A 41 -1.305 -0.282 9.319 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.418 0.079 9.701 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.195 -0.019 9.999 1.00 0.00 N ATOM 0 H GLN A 41 -0.944 -4.119 8.556 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.498 -2.204 9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.886 -2.826 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.120 -1.645 7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.159 -1.536 8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.165 -0.369 7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.707 -0.337 9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.245 0.501 10.875 1.00 0.00 H new ATOM 579 N CYS A 42 -4.196 -4.283 8.025 1.00 0.00 N ATOM 580 CA CYS A 42 -5.506 -4.894 7.830 1.00 0.00 C ATOM 581 C CYS A 42 -6.101 -5.340 9.162 1.00 0.00 C ATOM 582 O CYS A 42 -7.258 -5.048 9.466 1.00 0.00 O ATOM 583 CB CYS A 42 -5.398 -6.088 6.880 1.00 0.00 C ATOM 584 SG CYS A 42 -6.948 -6.513 6.052 1.00 0.00 S ATOM 0 H CYS A 42 -3.500 -4.545 7.326 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.167 -4.147 7.390 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.643 -5.871 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.048 -6.955 7.441 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.756 -7.532 5.269 1.00 0.00 H new ATOM 590 N PHE A 43 -5.303 -6.051 9.952 1.00 0.00 N ATOM 591 CA PHE A 43 -5.752 -6.540 11.250 1.00 0.00 C ATOM 592 C PHE A 43 -6.533 -5.463 11.998 1.00 0.00 C ATOM 593 O PHE A 43 -7.621 -5.715 12.516 1.00 0.00 O ATOM 594 CB PHE A 43 -4.556 -6.994 12.090 1.00 0.00 C ATOM 595 CG PHE A 43 -4.865 -7.124 13.554 1.00 0.00 C ATOM 596 CD1 PHE A 43 -4.773 -6.027 14.395 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.248 -8.344 14.088 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.058 -6.143 15.743 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.534 -8.466 15.435 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.438 -7.365 16.263 1.00 0.00 C ATOM 0 H PHE A 43 -4.343 -6.301 9.716 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.412 -7.391 11.080 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.203 -7.955 11.715 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.741 -6.282 11.961 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.475 -5.070 13.993 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.324 -9.209 13.445 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.984 -5.280 16.388 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.832 -9.422 15.840 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.660 -7.459 17.316 1.00 0.00 H new ATOM 610 N LEU A 44 -5.969 -4.261 12.049 1.00 0.00 N ATOM 611 CA LEU A 44 -6.610 -3.144 12.733 1.00 0.00 C ATOM 612 C LEU A 44 -8.061 -2.993 12.288 1.00 0.00 C ATOM 613 O LEU A 44 -8.930 -2.627 13.080 1.00 0.00 O ATOM 614 CB LEU A 44 -5.845 -1.847 12.463 1.00 0.00 C ATOM 615 CG LEU A 44 -4.525 -1.678 13.217 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.574 -0.786 12.433 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.773 -1.106 14.605 1.00 0.00 C ATOM 0 H LEU A 44 -5.069 -4.035 11.625 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.597 -3.350 13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.641 -1.785 11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.493 -1.007 12.713 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.063 -2.659 13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.640 -0.677 12.984 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.371 -1.236 11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.028 0.195 12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.823 -0.993 15.127 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.257 -0.133 14.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.417 -1.782 15.167 1.00 0.00 H new ATOM 629 N TYR A 45 -8.317 -3.280 11.016 1.00 0.00 N ATOM 630 CA TYR A 45 -9.663 -3.176 10.465 1.00 0.00 C ATOM 631 C TYR A 45 -10.066 -4.471 9.766 1.00 0.00 C ATOM 632 O TYR A 45 -9.528 -4.816 8.714 1.00 0.00 O ATOM 633 CB TYR A 45 -9.745 -2.006 9.482 1.00 0.00 C ATOM 634 CG TYR A 45 -9.415 -0.669 10.105 1.00 0.00 C ATOM 635 CD1 TYR A 45 -8.096 -0.267 10.276 1.00 0.00 C ATOM 636 CD2 TYR A 45 -10.421 0.194 10.520 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.789 0.954 10.845 1.00 0.00 C ATOM 638 CE2 TYR A 45 -10.124 1.418 11.088 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.807 1.793 11.249 1.00 0.00 C ATOM 640 OH TYR A 45 -8.506 3.011 11.815 1.00 0.00 O ATOM 0 H TYR A 45 -7.610 -3.586 10.348 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.354 -2.999 11.289 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.061 -2.190 8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.750 -1.964 9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.297 -0.920 9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.454 -0.097 10.397 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.758 1.250 10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.919 2.077 11.404 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.336 3.480 12.043 1.00 0.00 H new ATOM 650 N HIS A 46 -11.019 -5.184 10.360 1.00 0.00 N ATOM 651 CA HIS A 46 -11.497 -6.440 9.795 1.00 0.00 C ATOM 652 C HIS A 46 -12.987 -6.361 9.477 1.00 0.00 C ATOM 653 O HIS A 46 -13.745 -5.629 10.115 1.00 0.00 O ATOM 654 CB HIS A 46 -11.232 -7.593 10.764 1.00 0.00 C ATOM 655 CG HIS A 46 -9.904 -8.254 10.558 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.523 -8.822 9.361 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.864 -8.435 11.406 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.307 -9.325 9.481 1.00 0.00 C ATOM 659 NE2 HIS A 46 -7.884 -9.103 10.713 1.00 0.00 N ATOM 0 H HIS A 46 -11.474 -4.913 11.232 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.954 -6.622 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.288 -7.218 11.786 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.020 -8.338 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.814 -8.114 12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.753 -9.831 8.704 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.978 -9.382 11.088 1.00 0.00 H new ATOM 667 N PRO A 47 -13.419 -7.130 8.467 1.00 0.00 N ATOM 668 CA PRO A 47 -14.821 -7.164 8.041 1.00 0.00 C ATOM 669 C PRO A 47 -15.723 -7.838 9.069 1.00 0.00 C ATOM 670 O PRO A 47 -16.947 -7.711 9.014 1.00 0.00 O ATOM 671 CB PRO A 47 -14.780 -7.982 6.748 1.00 0.00 C ATOM 672 CG PRO A 47 -13.567 -8.837 6.880 1.00 0.00 C ATOM 673 CD PRO A 47 -12.572 -8.027 7.663 1.00 0.00 C ATOM 0 HA PRO A 47 -15.233 -6.163 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.680 -8.586 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.716 -7.336 5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.801 -9.770 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -13.169 -9.103 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.946 -8.659 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.904 -7.468 7.007 1.00 0.00 H new ATOM 681 N ASP A 48 -15.112 -8.553 10.007 1.00 0.00 N ATOM 682 CA ASP A 48 -15.860 -9.246 11.049 1.00 0.00 C ATOM 683 C ASP A 48 -16.501 -8.250 12.011 1.00 0.00 C ATOM 684 O ASP A 48 -17.712 -8.275 12.231 1.00 0.00 O ATOM 685 CB ASP A 48 -14.943 -10.198 11.818 1.00 0.00 C ATOM 686 CG ASP A 48 -14.360 -11.281 10.932 1.00 0.00 C ATOM 687 OD1 ASP A 48 -15.053 -12.293 10.698 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.210 -11.117 10.472 1.00 0.00 O ATOM 0 H ASP A 48 -14.100 -8.668 10.067 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.651 -9.823 10.571 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.132 -9.629 12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.503 -10.660 12.631 1.00 0.00 H new ATOM 693 N ARG A 49 -15.680 -7.375 12.583 1.00 0.00 N ATOM 694 CA ARG A 49 -16.166 -6.373 13.524 1.00 0.00 C ATOM 695 C ARG A 49 -16.922 -5.266 12.795 1.00 0.00 C ATOM 696 O ARG A 49 -18.119 -5.075 13.007 1.00 0.00 O ATOM 697 CB ARG A 49 -15.000 -5.775 14.312 1.00 0.00 C ATOM 698 CG ARG A 49 -14.667 -6.541 15.582 1.00 0.00 C ATOM 699 CD ARG A 49 -13.222 -6.323 16.002 1.00 0.00 C ATOM 700 NE ARG A 49 -12.281 -6.877 15.032 1.00 0.00 N ATOM 701 CZ ARG A 49 -10.969 -6.941 15.235 1.00 0.00 C ATOM 702 NH1 ARG A 49 -10.447 -6.489 16.366 1.00 0.00 N ATOM 703 NH2 ARG A 49 -10.178 -7.460 14.304 1.00 0.00 N ATOM 0 H ARG A 49 -14.675 -7.340 12.411 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.850 -6.862 14.217 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.117 -5.746 13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.239 -4.744 14.572 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.332 -6.223 16.385 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.844 -7.605 15.424 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.036 -5.255 16.119 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.054 -6.785 16.975 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.651 -7.234 14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.052 -6.091 17.084 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.440 -6.540 16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.577 -7.810 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.171 -7.509 14.460 1.00 0.00 H new ATOM 717 N ASN A 50 -16.215 -4.538 11.937 1.00 0.00 N ATOM 718 CA ASN A 50 -16.819 -3.449 11.178 1.00 0.00 C ATOM 719 C ASN A 50 -18.032 -3.940 10.394 1.00 0.00 C ATOM 720 O ASN A 50 -17.918 -4.321 9.229 1.00 0.00 O ATOM 721 CB ASN A 50 -15.794 -2.836 10.222 1.00 0.00 C ATOM 722 CG ASN A 50 -14.716 -2.058 10.952 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.848 -0.854 11.176 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.642 -2.743 11.326 1.00 0.00 N ATOM 0 H ASN A 50 -15.223 -4.683 11.750 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.149 -2.687 11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.331 -3.628 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.304 -2.175 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.884 -2.273 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.575 -3.740 11.119 1.00 0.00 H new ATOM 731 N SER A 51 -19.193 -3.928 11.041 1.00 0.00 N ATOM 732 CA SER A 51 -20.427 -4.375 10.406 1.00 0.00 C ATOM 733 C SER A 51 -20.603 -3.720 9.039 1.00 0.00 C ATOM 734 O SER A 51 -20.894 -4.391 8.050 1.00 0.00 O ATOM 735 CB SER A 51 -21.629 -4.053 11.297 1.00 0.00 C ATOM 736 OG SER A 51 -21.769 -2.655 11.479 1.00 0.00 O ATOM 0 H SER A 51 -19.305 -3.613 12.005 1.00 0.00 H new ATOM 0 HA SER A 51 -20.365 -5.454 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 51 -22.537 -4.457 10.849 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.508 -4.539 12.265 1.00 0.00 H new ATOM 0 HG SER A 51 -22.545 -2.476 12.050 1.00 0.00 H new ATOM 742 N GLY A 52 -20.423 -2.403 8.993 1.00 0.00 N ATOM 743 CA GLY A 52 -20.565 -1.679 7.744 1.00 0.00 C ATOM 744 C GLY A 52 -20.090 -0.243 7.849 1.00 0.00 C ATOM 745 O GLY A 52 -20.793 0.682 7.442 1.00 0.00 O ATOM 0 H GLY A 52 -20.182 -1.825 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -19.999 -2.190 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.611 -1.691 7.438 1.00 0.00 H new ATOM 749 N SER A 53 -18.895 -0.056 8.399 1.00 0.00 N ATOM 750 CA SER A 53 -18.329 1.278 8.562 1.00 0.00 C ATOM 751 C SER A 53 -17.986 1.892 7.208 1.00 0.00 C ATOM 752 O SER A 53 -17.261 1.298 6.411 1.00 0.00 O ATOM 753 CB SER A 53 -17.077 1.221 9.440 1.00 0.00 C ATOM 754 OG SER A 53 -17.417 1.006 10.799 1.00 0.00 O ATOM 0 H SER A 53 -18.300 -0.811 8.739 1.00 0.00 H new ATOM 0 HA SER A 53 -19.076 1.905 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.423 0.421 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.519 2.152 9.344 1.00 0.00 H new ATOM 0 HG SER A 53 -16.760 0.405 11.209 1.00 0.00 H new ATOM 760 N ALA A 54 -18.513 3.086 6.956 1.00 0.00 N ATOM 761 CA ALA A 54 -18.262 3.782 5.700 1.00 0.00 C ATOM 762 C ALA A 54 -16.802 4.211 5.592 1.00 0.00 C ATOM 763 O ALA A 54 -16.168 4.026 4.555 1.00 0.00 O ATOM 764 CB ALA A 54 -19.179 4.989 5.574 1.00 0.00 C ATOM 0 H ALA A 54 -19.116 3.591 7.605 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.472 3.092 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.981 5.500 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.218 4.661 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.996 5.673 6.403 1.00 0.00 H new ATOM 770 N GLU A 55 -16.277 4.784 6.671 1.00 0.00 N ATOM 771 CA GLU A 55 -14.893 5.240 6.695 1.00 0.00 C ATOM 772 C GLU A 55 -13.934 4.083 6.430 1.00 0.00 C ATOM 773 O GLU A 55 -13.133 4.128 5.497 1.00 0.00 O ATOM 774 CB GLU A 55 -14.568 5.886 8.044 1.00 0.00 C ATOM 775 CG GLU A 55 -15.069 7.315 8.170 1.00 0.00 C ATOM 776 CD GLU A 55 -16.523 7.389 8.594 1.00 0.00 C ATOM 777 OE1 GLU A 55 -16.851 6.867 9.680 1.00 0.00 O ATOM 778 OE2 GLU A 55 -17.332 7.969 7.840 1.00 0.00 O ATOM 0 H GLU A 55 -16.789 4.943 7.539 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.769 5.981 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.006 5.285 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.488 5.874 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.455 7.848 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.947 7.824 7.214 1.00 0.00 H new ATOM 785 N ALA A 56 -14.022 3.047 7.258 1.00 0.00 N ATOM 786 CA ALA A 56 -13.165 1.877 7.113 1.00 0.00 C ATOM 787 C ALA A 56 -12.900 1.570 5.643 1.00 0.00 C ATOM 788 O ALA A 56 -11.783 1.216 5.265 1.00 0.00 O ATOM 789 CB ALA A 56 -13.793 0.674 7.800 1.00 0.00 C ATOM 0 H ALA A 56 -14.679 2.994 8.037 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.210 2.096 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.142 -0.192 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.925 0.889 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.763 0.463 7.349 1.00 0.00 H new ATOM 795 N ALA A 57 -13.933 1.708 4.818 1.00 0.00 N ATOM 796 CA ALA A 57 -13.810 1.446 3.390 1.00 0.00 C ATOM 797 C ALA A 57 -12.772 2.363 2.751 1.00 0.00 C ATOM 798 O ALA A 57 -11.715 1.909 2.315 1.00 0.00 O ATOM 799 CB ALA A 57 -15.159 1.614 2.705 1.00 0.00 C ATOM 0 H ALA A 57 -14.864 2.000 5.115 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.475 0.417 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.053 1.415 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.875 0.914 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.516 2.633 2.850 1.00 0.00 H new ATOM 805 N GLU A 58 -13.083 3.655 2.698 1.00 0.00 N ATOM 806 CA GLU A 58 -12.176 4.634 2.111 1.00 0.00 C ATOM 807 C GLU A 58 -10.763 4.467 2.663 1.00 0.00 C ATOM 808 O GLU A 58 -9.780 4.631 1.940 1.00 0.00 O ATOM 809 CB GLU A 58 -12.677 6.054 2.383 1.00 0.00 C ATOM 810 CG GLU A 58 -12.865 6.361 3.859 1.00 0.00 C ATOM 811 CD GLU A 58 -13.076 7.838 4.125 1.00 0.00 C ATOM 812 OE1 GLU A 58 -14.212 8.319 3.929 1.00 0.00 O ATOM 813 OE2 GLU A 58 -12.107 8.514 4.529 1.00 0.00 O ATOM 0 H GLU A 58 -13.955 4.047 3.054 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.149 4.466 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.970 6.767 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.626 6.201 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.721 5.802 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.991 6.017 4.412 1.00 0.00 H new ATOM 820 N ARG A 59 -10.671 4.142 3.948 1.00 0.00 N ATOM 821 CA ARG A 59 -9.379 3.955 4.598 1.00 0.00 C ATOM 822 C ARG A 59 -8.773 2.605 4.224 1.00 0.00 C ATOM 823 O ARG A 59 -7.552 2.448 4.194 1.00 0.00 O ATOM 824 CB ARG A 59 -9.530 4.055 6.117 1.00 0.00 C ATOM 825 CG ARG A 59 -8.296 3.605 6.882 1.00 0.00 C ATOM 826 CD ARG A 59 -8.502 3.716 8.385 1.00 0.00 C ATOM 827 NE ARG A 59 -9.856 3.339 8.781 1.00 0.00 N ATOM 828 CZ ARG A 59 -10.880 4.185 8.792 1.00 0.00 C ATOM 829 NH1 ARG A 59 -10.705 5.448 8.430 1.00 0.00 N ATOM 830 NH2 ARG A 59 -12.083 3.767 9.166 1.00 0.00 N ATOM 0 H ARG A 59 -11.475 4.003 4.560 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.709 4.743 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.756 5.087 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.382 3.451 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.061 2.573 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.441 4.212 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.783 3.077 8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.303 4.739 8.704 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.025 2.374 9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.782 5.773 8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.493 6.095 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.221 2.796 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.869 4.417 9.174 1.00 0.00 H new ATOM 844 N PHE A 60 -9.634 1.633 3.941 1.00 0.00 N ATOM 845 CA PHE A 60 -9.184 0.297 3.571 1.00 0.00 C ATOM 846 C PHE A 60 -8.507 0.310 2.204 1.00 0.00 C ATOM 847 O PHE A 60 -7.429 -0.259 2.026 1.00 0.00 O ATOM 848 CB PHE A 60 -10.364 -0.677 3.559 1.00 0.00 C ATOM 849 CG PHE A 60 -9.963 -2.103 3.311 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.075 -2.744 4.160 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.473 -2.802 2.228 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.704 -4.056 3.935 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.105 -4.114 1.999 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.219 -4.742 2.852 1.00 0.00 C ATOM 0 H PHE A 60 -10.648 1.746 3.961 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.457 -0.033 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.885 -0.616 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.072 -0.368 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.668 -2.212 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.165 -2.316 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.012 -4.545 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.510 -4.649 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.929 -5.767 2.673 1.00 0.00 H new ATOM 864 N THR A 61 -9.146 0.964 1.239 1.00 0.00 N ATOM 865 CA THR A 61 -8.608 1.050 -0.112 1.00 0.00 C ATOM 866 C THR A 61 -7.270 1.781 -0.125 1.00 0.00 C ATOM 867 O THR A 61 -6.347 1.392 -0.841 1.00 0.00 O ATOM 868 CB THR A 61 -9.584 1.773 -1.060 1.00 0.00 C ATOM 869 OG1 THR A 61 -9.378 1.329 -2.406 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.397 3.280 -0.984 1.00 0.00 C ATOM 0 H THR A 61 -10.038 1.442 1.369 1.00 0.00 H new ATOM 0 HA THR A 61 -8.464 0.027 -0.461 1.00 0.00 H new ATOM 0 HB THR A 61 -10.601 1.534 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.003 1.792 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.097 3.768 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.583 3.619 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.377 3.535 -1.271 1.00 0.00 H new ATOM 878 N ARG A 62 -7.173 2.841 0.670 1.00 0.00 N ATOM 879 CA ARG A 62 -5.947 3.626 0.749 1.00 0.00 C ATOM 880 C ARG A 62 -4.768 2.753 1.170 1.00 0.00 C ATOM 881 O ARG A 62 -3.683 2.839 0.594 1.00 0.00 O ATOM 882 CB ARG A 62 -6.118 4.781 1.738 1.00 0.00 C ATOM 883 CG ARG A 62 -6.900 5.956 1.173 1.00 0.00 C ATOM 884 CD ARG A 62 -6.535 7.256 1.872 1.00 0.00 C ATOM 885 NE ARG A 62 -7.270 7.430 3.122 1.00 0.00 N ATOM 886 CZ ARG A 62 -6.975 8.358 4.025 1.00 0.00 C ATOM 887 NH1 ARG A 62 -5.965 9.191 3.818 1.00 0.00 N ATOM 888 NH2 ARG A 62 -7.691 8.454 5.139 1.00 0.00 N ATOM 0 H ARG A 62 -7.928 3.176 1.268 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.741 4.032 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.626 4.413 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.134 5.128 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.701 6.047 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.968 5.770 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.464 7.270 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.744 8.095 1.209 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.053 6.804 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.412 9.120 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.740 9.903 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.469 7.814 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.463 9.167 5.832 1.00 0.00 H new ATOM 902 N ILE A 63 -4.989 1.915 2.177 1.00 0.00 N ATOM 903 CA ILE A 63 -3.945 1.027 2.674 1.00 0.00 C ATOM 904 C ILE A 63 -3.390 0.152 1.555 1.00 0.00 C ATOM 905 O ILE A 63 -2.177 -0.007 1.422 1.00 0.00 O ATOM 906 CB ILE A 63 -4.467 0.124 3.807 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.928 0.972 4.994 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.390 -0.861 4.238 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.805 0.219 5.970 1.00 0.00 C ATOM 0 H ILE A 63 -5.881 1.832 2.665 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.149 1.661 3.064 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.322 -0.442 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.052 1.350 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.474 1.838 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.774 -1.492 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.106 -1.484 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.517 -0.313 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.094 0.882 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.699 -0.136 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.255 -0.632 6.372 1.00 0.00 H new ATOM 921 N SER A 64 -4.287 -0.413 0.753 1.00 0.00 N ATOM 922 CA SER A 64 -3.887 -1.274 -0.354 1.00 0.00 C ATOM 923 C SER A 64 -2.952 -0.536 -1.307 1.00 0.00 C ATOM 924 O SER A 64 -1.893 -1.044 -1.671 1.00 0.00 O ATOM 925 CB SER A 64 -5.119 -1.771 -1.112 1.00 0.00 C ATOM 926 OG SER A 64 -4.844 -2.982 -1.795 1.00 0.00 O ATOM 0 H SER A 64 -5.295 -0.290 0.849 1.00 0.00 H new ATOM 0 HA SER A 64 -3.354 -2.130 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.942 -1.922 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.441 -1.013 -1.826 1.00 0.00 H new ATOM 0 HG SER A 64 -5.648 -3.279 -2.270 1.00 0.00 H new ATOM 932 N GLN A 65 -3.354 0.667 -1.706 1.00 0.00 N ATOM 933 CA GLN A 65 -2.553 1.476 -2.617 1.00 0.00 C ATOM 934 C GLN A 65 -1.085 1.469 -2.204 1.00 0.00 C ATOM 935 O GLN A 65 -0.203 1.195 -3.017 1.00 0.00 O ATOM 936 CB GLN A 65 -3.079 2.912 -2.654 1.00 0.00 C ATOM 937 CG GLN A 65 -4.557 3.010 -2.994 1.00 0.00 C ATOM 938 CD GLN A 65 -4.906 4.299 -3.712 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.024 5.070 -4.092 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.198 4.541 -3.902 1.00 0.00 N ATOM 0 H GLN A 65 -4.229 1.102 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.632 1.042 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.906 3.378 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.507 3.481 -3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.839 2.163 -3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.142 2.939 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.896 3.875 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.492 5.393 -4.379 1.00 0.00 H new ATOM 949 N ALA A 66 -0.831 1.774 -0.936 1.00 0.00 N ATOM 950 CA ALA A 66 0.530 1.801 -0.415 1.00 0.00 C ATOM 951 C ALA A 66 1.305 0.558 -0.838 1.00 0.00 C ATOM 952 O ALA A 66 2.511 0.618 -1.078 1.00 0.00 O ATOM 953 CB ALA A 66 0.512 1.923 1.102 1.00 0.00 C ATOM 0 H ALA A 66 -1.550 2.006 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 66 1.035 2.672 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.535 1.942 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.004 2.844 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.016 1.070 1.529 1.00 0.00 H new ATOM 959 N TYR A 67 0.605 -0.568 -0.926 1.00 0.00 N ATOM 960 CA TYR A 67 1.229 -1.827 -1.317 1.00 0.00 C ATOM 961 C TYR A 67 1.227 -1.987 -2.834 1.00 0.00 C ATOM 962 O TYR A 67 1.251 -3.104 -3.352 1.00 0.00 O ATOM 963 CB TYR A 67 0.500 -3.004 -0.668 1.00 0.00 C ATOM 964 CG TYR A 67 1.376 -4.220 -0.463 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.648 -4.100 0.084 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.933 -5.488 -0.818 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.452 -5.207 0.272 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.730 -6.601 -0.632 1.00 0.00 C ATOM 969 CZ TYR A 67 2.989 -6.456 -0.088 1.00 0.00 C ATOM 970 OH TYR A 67 3.786 -7.562 0.098 1.00 0.00 O ATOM 0 H TYR A 67 -0.394 -0.635 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 67 2.263 -1.814 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.101 -2.687 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.352 -3.281 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.014 -3.124 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.051 -5.606 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.438 -5.096 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.369 -7.580 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 67 3.310 -8.363 -0.206 1.00 0.00 H new ATOM 980 N VAL A 68 1.199 -0.862 -3.542 1.00 0.00 N ATOM 981 CA VAL A 68 1.196 -0.876 -5.000 1.00 0.00 C ATOM 982 C VAL A 68 2.327 -0.021 -5.560 1.00 0.00 C ATOM 983 O VAL A 68 3.169 -0.505 -6.316 1.00 0.00 O ATOM 984 CB VAL A 68 -0.145 -0.367 -5.563 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.093 -0.295 -7.081 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.288 -1.259 -5.102 1.00 0.00 C ATOM 0 H VAL A 68 1.178 0.071 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 68 1.341 -1.912 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.322 0.639 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.049 0.066 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.700 0.387 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.107 -1.287 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.228 -0.885 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.120 -2.277 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.337 -1.255 -4.013 1.00 0.00 H new ATOM 996 N VAL A 69 2.341 1.254 -5.183 1.00 0.00 N ATOM 997 CA VAL A 69 3.370 2.177 -5.646 1.00 0.00 C ATOM 998 C VAL A 69 4.741 1.788 -5.104 1.00 0.00 C ATOM 999 O VAL A 69 5.756 1.944 -5.784 1.00 0.00 O ATOM 1000 CB VAL A 69 3.055 3.625 -5.225 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.151 4.568 -5.697 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.700 4.054 -5.768 1.00 0.00 C ATOM 0 H VAL A 69 1.651 1.671 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 69 3.383 2.118 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 69 3.015 3.669 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.912 5.586 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.102 4.270 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.226 4.524 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.493 5.079 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.709 3.996 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.926 3.395 -5.376 1.00 0.00 H new ATOM 1012 N LEU A 70 4.764 1.281 -3.876 1.00 0.00 N ATOM 1013 CA LEU A 70 6.011 0.869 -3.242 1.00 0.00 C ATOM 1014 C LEU A 70 6.217 -0.637 -3.373 1.00 0.00 C ATOM 1015 O LEU A 70 7.346 -1.124 -3.348 1.00 0.00 O ATOM 1016 CB LEU A 70 6.011 1.268 -1.765 1.00 0.00 C ATOM 1017 CG LEU A 70 5.400 2.631 -1.439 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.859 2.647 -0.017 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.428 3.737 -1.632 1.00 0.00 C ATOM 0 H LEU A 70 3.933 1.146 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 70 6.832 1.375 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.471 0.506 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.040 1.258 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 70 4.571 2.809 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.428 3.625 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.091 1.881 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.670 2.447 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.975 4.700 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.278 3.563 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.768 3.741 -2.668 1.00 0.00 H new ATOM 1031 N GLY A 71 5.116 -1.369 -3.516 1.00 0.00 N ATOM 1032 CA GLY A 71 5.198 -2.812 -3.651 1.00 0.00 C ATOM 1033 C GLY A 71 6.258 -3.242 -4.645 1.00 0.00 C ATOM 1034 O GLY A 71 6.783 -4.352 -4.562 1.00 0.00 O ATOM 0 H GLY A 71 4.170 -0.989 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.416 -3.253 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.230 -3.200 -3.967 1.00 0.00 H new ATOM 1038 N SER A 72 6.574 -2.361 -5.590 1.00 0.00 N ATOM 1039 CA SER A 72 7.575 -2.658 -6.608 1.00 0.00 C ATOM 1040 C SER A 72 8.728 -1.662 -6.542 1.00 0.00 C ATOM 1041 O SER A 72 8.520 -0.450 -6.600 1.00 0.00 O ATOM 1042 CB SER A 72 6.941 -2.631 -8.000 1.00 0.00 C ATOM 1043 OG SER A 72 6.055 -3.722 -8.178 1.00 0.00 O ATOM 0 H SER A 72 6.151 -1.436 -5.671 1.00 0.00 H new ATOM 0 HA SER A 72 7.969 -3.656 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.402 -1.694 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.722 -2.665 -8.760 1.00 0.00 H new ATOM 0 HG SER A 72 5.662 -3.681 -9.075 1.00 0.00 H new ATOM 1049 N ALA A 73 9.945 -2.182 -6.421 1.00 0.00 N ATOM 1050 CA ALA A 73 11.132 -1.339 -6.349 1.00 0.00 C ATOM 1051 C ALA A 73 11.181 -0.359 -7.516 1.00 0.00 C ATOM 1052 O ALA A 73 11.452 0.828 -7.334 1.00 0.00 O ATOM 1053 CB ALA A 73 12.388 -2.198 -6.325 1.00 0.00 C ATOM 0 H ALA A 73 10.135 -3.183 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 73 11.082 -0.761 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.267 -1.556 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.364 -2.854 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.434 -2.801 -7.232 1.00 0.00 H new ATOM 1059 N THR A 74 10.919 -0.864 -8.718 1.00 0.00 N ATOM 1060 CA THR A 74 10.935 -0.034 -9.916 1.00 0.00 C ATOM 1061 C THR A 74 10.095 1.224 -9.724 1.00 0.00 C ATOM 1062 O THR A 74 10.594 2.342 -9.855 1.00 0.00 O ATOM 1063 CB THR A 74 10.412 -0.806 -11.142 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.094 -2.059 -11.259 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.606 0.004 -12.415 1.00 0.00 C ATOM 0 H THR A 74 10.693 -1.844 -8.887 1.00 0.00 H new ATOM 0 HA THR A 74 11.973 0.249 -10.091 1.00 0.00 H new ATOM 0 HB THR A 74 9.346 -0.985 -11.003 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.755 -2.545 -12.040 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.229 -0.562 -13.267 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.061 0.945 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.667 0.210 -12.557 1.00 0.00 H new ATOM 1073 N LEU A 75 8.817 1.034 -9.414 1.00 0.00 N ATOM 1074 CA LEU A 75 7.906 2.154 -9.204 1.00 0.00 C ATOM 1075 C LEU A 75 8.548 3.219 -8.319 1.00 0.00 C ATOM 1076 O LEU A 75 8.654 4.382 -8.709 1.00 0.00 O ATOM 1077 CB LEU A 75 6.603 1.665 -8.569 1.00 0.00 C ATOM 1078 CG LEU A 75 5.842 0.589 -9.343 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.689 0.048 -8.512 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.334 1.142 -10.667 1.00 0.00 C ATOM 0 H LEU A 75 8.388 0.115 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 75 7.686 2.598 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.829 1.278 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.944 2.522 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 75 6.527 -0.232 -9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.159 -0.717 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.077 -0.387 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.003 0.860 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.795 0.362 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.665 1.981 -10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.178 1.479 -11.268 1.00 0.00 H new ATOM 1092 N ARG A 76 8.976 2.812 -7.129 1.00 0.00 N ATOM 1093 CA ARG A 76 9.608 3.731 -6.190 1.00 0.00 C ATOM 1094 C ARG A 76 10.549 4.689 -6.916 1.00 0.00 C ATOM 1095 O ARG A 76 10.480 5.903 -6.728 1.00 0.00 O ATOM 1096 CB ARG A 76 10.380 2.953 -5.123 1.00 0.00 C ATOM 1097 CG ARG A 76 9.517 2.499 -3.956 1.00 0.00 C ATOM 1098 CD ARG A 76 10.084 1.252 -3.296 1.00 0.00 C ATOM 1099 NE ARG A 76 11.075 1.578 -2.273 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.893 0.682 -1.732 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.839 -0.586 -2.114 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.768 1.055 -0.806 1.00 0.00 N ATOM 0 H ARG A 76 8.897 1.853 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 76 8.823 4.315 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.841 2.080 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.189 3.578 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.446 3.301 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.505 2.298 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.273 0.679 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.541 0.616 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 76 11.142 2.546 -1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.168 -0.876 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.468 -1.272 -1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.812 2.030 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.396 0.367 -0.391 1.00 0.00 H new ATOM 1116 N ARG A 77 11.426 4.133 -7.744 1.00 0.00 N ATOM 1117 CA ARG A 77 12.382 4.937 -8.497 1.00 0.00 C ATOM 1118 C ARG A 77 11.661 5.898 -9.439 1.00 0.00 C ATOM 1119 O ARG A 77 12.122 7.014 -9.676 1.00 0.00 O ATOM 1120 CB ARG A 77 13.323 4.034 -9.296 1.00 0.00 C ATOM 1121 CG ARG A 77 14.096 3.047 -8.435 1.00 0.00 C ATOM 1122 CD ARG A 77 14.419 1.774 -9.201 1.00 0.00 C ATOM 1123 NE ARG A 77 15.653 1.150 -8.732 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.850 1.717 -8.842 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.972 2.912 -9.401 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.927 1.087 -8.390 1.00 0.00 N ATOM 0 H ARG A 77 11.495 3.129 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 77 12.967 5.521 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.743 3.482 -10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.030 4.656 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.021 3.510 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.512 2.801 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.594 1.069 -9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.510 2.003 -10.263 1.00 0.00 H new ATOM 0 HE ARG A 77 15.593 0.230 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.146 3.399 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.892 3.345 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.836 0.167 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.846 1.522 -8.475 1.00 0.00 H new ATOM 1140 N LYS A 78 10.528 5.455 -9.973 1.00 0.00 N ATOM 1141 CA LYS A 78 9.742 6.275 -10.888 1.00 0.00 C ATOM 1142 C LYS A 78 9.185 7.504 -10.176 1.00 0.00 C ATOM 1143 O LYS A 78 9.593 8.632 -10.455 1.00 0.00 O ATOM 1144 CB LYS A 78 8.596 5.454 -11.483 1.00 0.00 C ATOM 1145 CG LYS A 78 9.060 4.235 -12.260 1.00 0.00 C ATOM 1146 CD LYS A 78 8.080 3.869 -13.362 1.00 0.00 C ATOM 1147 CE LYS A 78 8.778 3.172 -14.520 1.00 0.00 C ATOM 1148 NZ LYS A 78 7.829 2.361 -15.332 1.00 0.00 N ATOM 0 H LYS A 78 10.133 4.533 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 78 10.398 6.609 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.935 5.131 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.007 6.092 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.040 4.431 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.175 3.391 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.304 3.218 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.584 4.770 -13.724 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.257 3.916 -15.157 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.568 2.528 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.343 1.902 -16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.391 1.634 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.090 2.979 -15.722 1.00 0.00 H new ATOM 1162 N TYR A 79 8.254 7.278 -9.256 1.00 0.00 N ATOM 1163 CA TYR A 79 7.641 8.368 -8.506 1.00 0.00 C ATOM 1164 C TYR A 79 8.703 9.316 -7.958 1.00 0.00 C ATOM 1165 O TYR A 79 8.484 10.524 -7.865 1.00 0.00 O ATOM 1166 CB TYR A 79 6.796 7.812 -7.358 1.00 0.00 C ATOM 1167 CG TYR A 79 5.863 8.831 -6.745 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.830 9.391 -7.487 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.014 9.235 -5.424 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.975 10.323 -6.932 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.162 10.165 -4.860 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.145 10.707 -5.618 1.00 0.00 C ATOM 1173 OH TYR A 79 3.296 11.635 -5.060 1.00 0.00 O ATOM 0 H TYR A 79 7.907 6.350 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 79 6.997 8.927 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.210 6.969 -7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.459 7.426 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.693 9.092 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.811 8.815 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.178 10.749 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.292 10.466 -3.831 1.00 0.00 H new ATOM 0 HH TYR A 79 3.552 11.794 -4.127 1.00 0.00 H new ATOM 1183 N ASP A 80 9.854 8.760 -7.597 1.00 0.00 N ATOM 1184 CA ASP A 80 10.952 9.555 -7.059 1.00 0.00 C ATOM 1185 C ASP A 80 11.317 10.690 -8.010 1.00 0.00 C ATOM 1186 O ASP A 80 11.579 11.814 -7.580 1.00 0.00 O ATOM 1187 CB ASP A 80 12.175 8.671 -6.808 1.00 0.00 C ATOM 1188 CG ASP A 80 12.150 8.026 -5.436 1.00 0.00 C ATOM 1189 OD1 ASP A 80 11.606 8.646 -4.498 1.00 0.00 O ATOM 1190 OD2 ASP A 80 12.674 6.900 -5.300 1.00 0.00 O ATOM 0 H ASP A 80 10.051 7.762 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 80 10.626 9.987 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.221 7.894 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.080 9.270 -6.908 1.00 0.00 H new ATOM 1195 N ARG A 81 11.334 10.389 -9.304 1.00 0.00 N ATOM 1196 CA ARG A 81 11.670 11.384 -10.316 1.00 0.00 C ATOM 1197 C ARG A 81 10.419 11.853 -11.054 1.00 0.00 C ATOM 1198 O ARG A 81 10.500 12.636 -11.998 1.00 0.00 O ATOM 1199 CB ARG A 81 12.677 10.809 -11.313 1.00 0.00 C ATOM 1200 CG ARG A 81 13.658 9.828 -10.691 1.00 0.00 C ATOM 1201 CD ARG A 81 14.640 10.532 -9.768 1.00 0.00 C ATOM 1202 NE ARG A 81 15.393 11.574 -10.462 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.491 11.338 -11.170 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.963 10.104 -11.278 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.121 12.339 -11.773 1.00 0.00 N ATOM 0 H ARG A 81 11.119 9.464 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 81 12.117 12.241 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.135 10.308 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.234 11.628 -11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.110 9.070 -10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.205 9.310 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.099 10.973 -8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.333 9.801 -9.350 1.00 0.00 H new ATOM 0 HE ARG A 81 15.057 12.535 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.482 9.332 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.807 9.927 -11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.762 13.290 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.965 12.157 -12.317 1.00 0.00 H new ATOM 1219 N GLY A 82 9.262 11.366 -10.615 1.00 0.00 N ATOM 1220 CA GLY A 82 8.011 11.745 -11.245 1.00 0.00 C ATOM 1221 C GLY A 82 7.797 11.051 -12.575 1.00 0.00 C ATOM 1222 O GLY A 82 7.140 11.590 -13.467 1.00 0.00 O ATOM 0 H GLY A 82 9.169 10.716 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.184 11.505 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.996 12.824 -11.396 1.00 0.00 H new ATOM 1226 N LEU A 83 8.355 9.853 -12.711 1.00 0.00 N ATOM 1227 CA LEU A 83 8.224 9.084 -13.944 1.00 0.00 C ATOM 1228 C LEU A 83 6.936 8.267 -13.942 1.00 0.00 C ATOM 1229 O LEU A 83 6.494 7.783 -14.985 1.00 0.00 O ATOM 1230 CB LEU A 83 9.428 8.157 -14.121 1.00 0.00 C ATOM 1231 CG LEU A 83 10.802 8.828 -14.082 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.853 7.862 -13.556 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.186 9.336 -15.465 1.00 0.00 C ATOM 0 H LEU A 83 8.902 9.393 -11.983 1.00 0.00 H new ATOM 0 HA LEU A 83 8.187 9.785 -14.778 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.394 7.397 -13.340 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.326 7.639 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 83 10.750 9.680 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.824 8.357 -13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.585 7.546 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.904 6.990 -14.208 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.166 9.811 -15.419 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.220 8.500 -16.163 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.447 10.062 -15.804 1.00 0.00 H new ATOM 1245 N LEU A 84 6.336 8.120 -12.766 1.00 0.00 N ATOM 1246 CA LEU A 84 5.097 7.364 -12.628 1.00 0.00 C ATOM 1247 C LEU A 84 3.928 8.115 -13.257 1.00 0.00 C ATOM 1248 O LEU A 84 3.630 9.248 -12.880 1.00 0.00 O ATOM 1249 CB LEU A 84 4.805 7.089 -11.152 1.00 0.00 C ATOM 1250 CG LEU A 84 3.637 6.145 -10.863 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.118 4.704 -10.800 1.00 0.00 C ATOM 1252 CD2 LEU A 84 2.945 6.536 -9.565 1.00 0.00 C ATOM 0 H LEU A 84 6.688 8.515 -11.894 1.00 0.00 H new ATOM 0 HA LEU A 84 5.220 6.415 -13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.703 6.673 -10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.608 8.040 -10.658 1.00 0.00 H new ATOM 0 HG LEU A 84 2.916 6.230 -11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.273 4.047 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.567 4.428 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.859 4.602 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.116 5.854 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.657 6.480 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.565 7.554 -9.648 1.00 0.00 H new ATOM 1264 N SER A 85 3.268 7.475 -14.217 1.00 0.00 N ATOM 1265 CA SER A 85 2.132 8.084 -14.900 1.00 0.00 C ATOM 1266 C SER A 85 0.821 7.700 -14.221 1.00 0.00 C ATOM 1267 O SER A 85 0.724 6.654 -13.579 1.00 0.00 O ATOM 1268 CB SER A 85 2.103 7.655 -16.368 1.00 0.00 C ATOM 1269 OG SER A 85 2.935 8.487 -17.159 1.00 0.00 O ATOM 0 H SER A 85 3.500 6.536 -14.539 1.00 0.00 H new ATOM 0 HA SER A 85 2.246 9.167 -14.847 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.432 6.619 -16.454 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.080 7.697 -16.742 1.00 0.00 H new ATOM 0 HG SER A 85 2.901 8.191 -18.093 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.186 8.554 -14.369 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.493 8.305 -13.771 1.00 0.00 C ATOM 1277 C ASP A 86 -1.991 6.904 -14.115 1.00 0.00 C ATOM 1278 O ASP A 86 -2.497 6.187 -13.253 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.503 9.350 -14.249 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.543 9.468 -15.760 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -1.675 10.166 -16.324 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.443 8.861 -16.378 1.00 0.00 O ATOM 0 H ASP A 86 -0.123 9.424 -14.897 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.390 8.378 -12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.495 9.087 -13.882 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.250 10.319 -13.818 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.843 6.523 -15.380 1.00 0.00 N ATOM 1288 CA GLU A 87 -2.279 5.209 -15.837 1.00 0.00 C ATOM 1289 C GLU A 87 -1.826 4.119 -14.870 1.00 0.00 C ATOM 1290 O GLU A 87 -2.557 3.163 -14.610 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.732 4.924 -17.237 1.00 0.00 C ATOM 1292 CG GLU A 87 -2.589 5.496 -18.354 1.00 0.00 C ATOM 1293 CD GLU A 87 -2.214 4.947 -19.717 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -1.018 4.658 -19.931 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -3.116 4.806 -20.568 1.00 0.00 O ATOM 0 H GLU A 87 -1.425 7.105 -16.106 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.368 5.208 -15.874 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.726 5.336 -17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.647 3.846 -17.372 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.637 5.274 -18.153 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.489 6.581 -18.364 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.617 4.270 -14.342 1.00 0.00 N ATOM 1303 CA ASP A 88 -0.065 3.300 -13.403 1.00 0.00 C ATOM 1304 C ASP A 88 -0.801 3.356 -12.068 1.00 0.00 C ATOM 1305 O ASP A 88 -1.153 2.323 -11.497 1.00 0.00 O ATOM 1306 CB ASP A 88 1.427 3.557 -13.189 1.00 0.00 C ATOM 1307 CG ASP A 88 2.267 3.110 -14.369 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.006 2.011 -14.901 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.185 3.861 -14.761 1.00 0.00 O ATOM 0 H ASP A 88 0.000 5.055 -14.548 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.196 2.305 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.588 4.621 -13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.758 3.033 -12.292 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.030 4.568 -11.576 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.724 4.760 -10.307 1.00 0.00 C ATOM 1316 C LEU A 89 -3.078 4.058 -10.315 1.00 0.00 C ATOM 1317 O LEU A 89 -3.342 3.188 -9.484 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.912 6.252 -10.026 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.683 6.996 -9.502 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -0.798 8.485 -9.789 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.507 6.751 -8.010 1.00 0.00 C ATOM 0 H LEU A 89 -0.745 5.433 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.113 4.322 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.240 6.736 -10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.718 6.366 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 89 0.197 6.614 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.085 8.998 -9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.875 8.643 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.687 8.882 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.372 7.288 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.389 7.105 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.378 5.684 -7.829 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.931 4.440 -11.259 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.258 3.846 -11.376 1.00 0.00 C ATOM 1335 C ARG A 90 -5.180 2.462 -12.014 1.00 0.00 C ATOM 1336 O ARG A 90 -5.844 1.526 -11.573 1.00 0.00 O ATOM 1337 CB ARG A 90 -6.173 4.750 -12.203 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.686 4.972 -13.626 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.551 5.985 -14.360 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.009 6.319 -15.674 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.370 7.392 -16.367 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.270 8.232 -15.874 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -5.831 7.628 -17.556 1.00 0.00 N ATOM 0 H ARG A 90 -3.728 5.158 -11.954 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.672 3.742 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.171 4.312 -12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.263 5.715 -11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.653 5.319 -13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.695 4.025 -14.166 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.559 5.585 -14.475 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.634 6.892 -13.761 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.315 5.693 -16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.687 8.054 -14.960 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.546 9.056 -16.409 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.138 6.985 -17.939 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.109 8.453 -18.087 1.00 0.00 H new ATOM 1357 N GLY A 91 -4.363 2.342 -13.056 1.00 0.00 N ATOM 1358 CA GLY A 91 -4.214 1.070 -13.738 1.00 0.00 C ATOM 1359 C GLY A 91 -5.500 0.268 -13.758 1.00 0.00 C ATOM 1360 O GLY A 91 -6.366 0.464 -14.610 1.00 0.00 O ATOM 0 H GLY A 91 -3.802 3.103 -13.440 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.884 1.247 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.434 0.488 -13.248 1.00 0.00 H new ATOM 1364 N PRO A 92 -5.637 -0.661 -12.800 1.00 0.00 N ATOM 1365 CA PRO A 92 -6.824 -1.515 -12.690 1.00 0.00 C ATOM 1366 C PRO A 92 -8.059 -0.738 -12.249 1.00 0.00 C ATOM 1367 O PRO A 92 -7.951 0.297 -11.592 1.00 0.00 O ATOM 1368 CB PRO A 92 -6.426 -2.538 -11.623 1.00 0.00 C ATOM 1369 CG PRO A 92 -5.390 -1.849 -10.804 1.00 0.00 C ATOM 1370 CD PRO A 92 -4.645 -0.950 -11.751 1.00 0.00 C ATOM 0 HA PRO A 92 -7.096 -1.960 -13.647 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.282 -2.829 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.032 -3.448 -12.075 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.848 -1.274 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.717 -2.570 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.306 -0.039 -11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.761 -1.440 -12.158 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.233 -1.243 -12.614 1.00 0.00 N ATOM 1379 CA GLY A 93 -10.472 -0.583 -12.246 1.00 0.00 C ATOM 1380 C GLY A 93 -10.854 0.516 -13.218 1.00 0.00 C ATOM 1381 O GLY A 93 -11.633 0.291 -14.145 1.00 0.00 O ATOM 0 H GLY A 93 -9.348 -2.098 -13.158 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.274 -1.320 -12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.372 -0.161 -11.246 1.00 0.00 H new ATOM 1385 N SER A 94 -10.305 1.708 -13.007 1.00 0.00 N ATOM 1386 CA SER A 94 -10.597 2.847 -13.869 1.00 0.00 C ATOM 1387 C SER A 94 -12.088 3.169 -13.857 1.00 0.00 C ATOM 1388 O SER A 94 -12.683 3.448 -14.898 1.00 0.00 O ATOM 1389 CB SER A 94 -10.136 2.563 -15.300 1.00 0.00 C ATOM 1390 OG SER A 94 -8.733 2.714 -15.423 1.00 0.00 O ATOM 0 H SER A 94 -9.656 1.910 -12.247 1.00 0.00 H new ATOM 0 HA SER A 94 -10.053 3.710 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.422 1.550 -15.583 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.640 3.241 -15.989 1.00 0.00 H new ATOM 0 HG SER A 94 -8.463 2.525 -16.346 1.00 0.00 H new ATOM 1396 N GLY A 95 -12.687 3.128 -12.671 1.00 0.00 N ATOM 1397 CA GLY A 95 -14.104 3.417 -12.544 1.00 0.00 C ATOM 1398 C GLY A 95 -14.376 4.596 -11.631 1.00 0.00 C ATOM 1399 O GLY A 95 -14.569 5.725 -12.081 1.00 0.00 O ATOM 0 H GLY A 95 -12.216 2.900 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.520 3.622 -13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.618 2.537 -12.158 1.00 0.00 H new ATOM 1403 N PRO A 96 -14.396 4.338 -10.315 1.00 0.00 N ATOM 1404 CA PRO A 96 -14.647 5.374 -9.309 1.00 0.00 C ATOM 1405 C PRO A 96 -13.494 6.364 -9.196 1.00 0.00 C ATOM 1406 O PRO A 96 -12.421 6.149 -9.761 1.00 0.00 O ATOM 1407 CB PRO A 96 -14.797 4.578 -8.010 1.00 0.00 C ATOM 1408 CG PRO A 96 -14.029 3.323 -8.244 1.00 0.00 C ATOM 1409 CD PRO A 96 -14.175 3.014 -9.708 1.00 0.00 C ATOM 0 HA PRO A 96 -15.518 5.980 -9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.401 5.132 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -15.844 4.367 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.981 3.451 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.417 2.508 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.283 2.532 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.012 2.341 -9.895 1.00 0.00 H new ATOM 1417 N SER A 97 -13.721 7.450 -8.464 1.00 0.00 N ATOM 1418 CA SER A 97 -12.701 8.475 -8.280 1.00 0.00 C ATOM 1419 C SER A 97 -11.413 7.868 -7.732 1.00 0.00 C ATOM 1420 O SER A 97 -11.374 6.694 -7.366 1.00 0.00 O ATOM 1421 CB SER A 97 -13.208 9.565 -7.333 1.00 0.00 C ATOM 1422 OG SER A 97 -12.609 10.815 -7.627 1.00 0.00 O ATOM 0 H SER A 97 -14.603 7.643 -7.989 1.00 0.00 H new ATOM 0 HA SER A 97 -12.488 8.919 -9.252 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.292 9.649 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.989 9.287 -6.302 1.00 0.00 H new ATOM 0 HG SER A 97 -12.951 11.495 -7.009 1.00 0.00 H new ATOM 1428 N SER A 98 -10.360 8.678 -7.679 1.00 0.00 N ATOM 1429 CA SER A 98 -9.068 8.222 -7.180 1.00 0.00 C ATOM 1430 C SER A 98 -8.498 9.208 -6.166 1.00 0.00 C ATOM 1431 O SER A 98 -7.852 10.189 -6.533 1.00 0.00 O ATOM 1432 CB SER A 98 -8.086 8.038 -8.339 1.00 0.00 C ATOM 1433 OG SER A 98 -6.990 7.226 -7.954 1.00 0.00 O ATOM 0 H SER A 98 -10.377 9.654 -7.976 1.00 0.00 H new ATOM 0 HA SER A 98 -9.216 7.263 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.599 7.584 -9.186 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.723 9.011 -8.671 1.00 0.00 H new ATOM 0 HG SER A 98 -6.378 7.122 -8.712 1.00 0.00 H new ATOM 1439 N GLY A 99 -8.743 8.941 -4.887 1.00 0.00 N ATOM 1440 CA GLY A 99 -8.248 9.814 -3.838 1.00 0.00 C ATOM 1441 C GLY A 99 -7.290 9.107 -2.900 1.00 0.00 C ATOM 1442 O GLY A 99 -7.606 8.885 -1.731 1.00 0.00 O ATOM 0 H GLY A 99 -9.276 8.136 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.745 10.670 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.090 10.204 -3.266 1.00 0.00 H new TER 1446 GLY A 99