USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 564 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 12 LYS NZ :NH3+ -148:sc= 0.115 (180deg=-0.285) USER MOD Set 1.2: A 28 ASN : amide:sc= 0.106 K(o=0.22,f=-0.72) USER MOD Single : A 5 SER OG : rot -28:sc= 0.304 USER MOD Single : A 6 ASN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -160:sc= -0.258 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -27:sc= 0.751 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -42:sc= 1.22 USER MOD Single : A 68 THR OG1 : rot -122:sc= -0.566 USER MOD Single : A 70 GLN : amide:sc= -0.628 K(o=-0.63,f=-0.014) USER MOD Single : A 75 TYR OH : rot 130:sc= -0.768 USER MOD Single : A 77 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.57) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.285 K(o=-0.28,f=-0.92) USER MOD Single : A 80 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.511 5.846 -7.240 1.00 63.30 N ATOM 61 CA SER A 5 9.689 6.699 -7.138 1.00 1.44 C ATOM 62 C SER A 5 10.647 6.178 -6.071 1.00 31.13 C ATOM 63 O SER A 5 11.863 6.188 -6.255 1.00 22.31 O ATOM 64 CB SER A 5 9.277 8.136 -6.811 1.00 31.02 C ATOM 65 OG SER A 5 8.290 8.165 -5.795 1.00 33.35 O ATOM 0 HA SER A 5 10.202 6.685 -8.100 1.00 1.44 H new ATOM 0 HB2 SER A 5 10.150 8.704 -6.490 1.00 31.02 H new ATOM 0 HB3 SER A 5 8.894 8.621 -7.709 1.00 31.02 H new ATOM 0 HG SER A 5 7.766 7.337 -5.824 1.00 33.35 H new ATOM 71 N ASN A 6 10.088 5.723 -4.954 1.00 71.21 N ATOM 72 CA ASN A 6 10.891 5.197 -3.856 1.00 44.42 C ATOM 73 C ASN A 6 11.798 4.069 -4.337 1.00 62.34 C ATOM 74 O ASN A 6 13.021 4.145 -4.212 1.00 33.15 O ATOM 75 CB ASN A 6 9.986 4.695 -2.730 1.00 25.54 C ATOM 76 CG ASN A 6 10.745 3.881 -1.698 1.00 52.33 C ATOM 77 OD1 ASN A 6 10.291 2.819 -1.273 1.00 53.01 O ATOM 78 ND2 ASN A 6 11.907 4.378 -1.291 1.00 52.50 N ATOM 0 H ASN A 6 9.082 5.708 -4.786 1.00 71.21 H new ATOM 0 HA ASN A 6 11.517 6.005 -3.477 1.00 44.42 H new ATOM 0 HB2 ASN A 6 9.513 5.546 -2.241 1.00 25.54 H new ATOM 0 HB3 ASN A 6 9.187 4.086 -3.153 1.00 25.54 H new ATOM 0 HD21 ASN A 6 12.462 3.875 -0.599 1.00 52.50 H new ATOM 0 HD22 ASN A 6 12.245 5.262 -1.671 1.00 52.50 H new ATOM 85 N ILE A 7 11.191 3.024 -4.889 1.00 32.51 N ATOM 86 CA ILE A 7 11.943 1.880 -5.390 1.00 43.44 C ATOM 87 C ILE A 7 13.014 2.320 -6.384 1.00 34.33 C ATOM 88 O ILE A 7 14.141 1.829 -6.353 1.00 23.51 O ATOM 89 CB ILE A 7 11.019 0.852 -6.070 1.00 3.43 C ATOM 90 CG1 ILE A 7 10.049 0.254 -5.050 1.00 33.15 C ATOM 91 CG2 ILE A 7 11.842 -0.243 -6.732 1.00 51.31 C ATOM 92 CD1 ILE A 7 8.642 0.088 -5.579 1.00 55.51 C ATOM 0 H ILE A 7 10.180 2.946 -5.001 1.00 32.51 H new ATOM 0 HA ILE A 7 12.419 1.413 -4.528 1.00 43.44 H new ATOM 0 HB ILE A 7 10.439 1.360 -6.841 1.00 3.43 H new ATOM 0 HG12 ILE A 7 10.425 -0.718 -4.730 1.00 33.15 H new ATOM 0 HG13 ILE A 7 10.023 0.893 -4.167 1.00 33.15 H new ATOM 0 HG21 ILE A 7 11.175 -0.962 -7.208 1.00 51.31 H new ATOM 0 HG22 ILE A 7 12.497 0.198 -7.484 1.00 51.31 H new ATOM 0 HG23 ILE A 7 12.445 -0.751 -5.979 1.00 51.31 H new ATOM 0 HD11 ILE A 7 8.009 -0.341 -4.802 1.00 55.51 H new ATOM 0 HD12 ILE A 7 8.247 1.060 -5.873 1.00 55.51 H new ATOM 0 HD13 ILE A 7 8.654 -0.575 -6.444 1.00 55.51 H new ATOM 104 N GLU A 8 12.652 3.249 -7.263 1.00 12.34 N ATOM 105 CA GLU A 8 13.582 3.756 -8.265 1.00 24.54 C ATOM 106 C GLU A 8 14.895 4.188 -7.618 1.00 44.04 C ATOM 107 O GLU A 8 15.971 3.743 -8.017 1.00 70.13 O ATOM 108 CB GLU A 8 12.962 4.932 -9.021 1.00 32.10 C ATOM 109 CG GLU A 8 12.299 4.533 -10.329 1.00 34.14 C ATOM 110 CD GLU A 8 11.066 3.675 -10.119 1.00 71.15 C ATOM 111 OE1 GLU A 8 10.519 3.685 -8.997 1.00 71.31 O ATOM 112 OE2 GLU A 8 10.648 2.994 -11.079 1.00 64.44 O ATOM 0 H GLU A 8 11.722 3.666 -7.302 1.00 12.34 H new ATOM 0 HA GLU A 8 13.791 2.951 -8.970 1.00 24.54 H new ATOM 0 HB2 GLU A 8 12.223 5.415 -8.382 1.00 32.10 H new ATOM 0 HB3 GLU A 8 13.737 5.670 -9.227 1.00 32.10 H new ATOM 0 HG2 GLU A 8 12.022 5.431 -10.881 1.00 34.14 H new ATOM 0 HG3 GLU A 8 13.016 3.989 -10.944 1.00 34.14 H new ATOM 119 N GLU A 9 14.798 5.059 -6.619 1.00 13.12 N ATOM 120 CA GLU A 9 15.978 5.553 -5.919 1.00 35.24 C ATOM 121 C GLU A 9 16.691 4.419 -5.188 1.00 61.33 C ATOM 122 O GLU A 9 17.915 4.427 -5.051 1.00 55.50 O ATOM 123 CB GLU A 9 15.587 6.648 -4.924 1.00 53.12 C ATOM 124 CG GLU A 9 16.742 7.128 -4.062 1.00 42.11 C ATOM 125 CD GLU A 9 17.812 7.843 -4.865 1.00 73.52 C ATOM 126 OE1 GLU A 9 17.621 8.014 -6.087 1.00 44.33 O ATOM 127 OE2 GLU A 9 18.839 8.230 -4.271 1.00 4.24 O ATOM 0 H GLU A 9 13.915 5.437 -6.276 1.00 13.12 H new ATOM 0 HA GLU A 9 16.660 5.971 -6.660 1.00 35.24 H new ATOM 0 HB2 GLU A 9 15.177 7.496 -5.473 1.00 53.12 H new ATOM 0 HB3 GLU A 9 14.794 6.273 -4.277 1.00 53.12 H new ATOM 0 HG2 GLU A 9 16.361 7.799 -3.292 1.00 42.11 H new ATOM 0 HG3 GLU A 9 17.187 6.275 -3.549 1.00 42.11 H new ATOM 134 N ARG A 10 15.917 3.444 -4.721 1.00 43.25 N ATOM 135 CA ARG A 10 16.474 2.304 -4.004 1.00 22.03 C ATOM 136 C ARG A 10 17.335 1.448 -4.928 1.00 25.24 C ATOM 137 O ARG A 10 18.550 1.353 -4.750 1.00 40.14 O ATOM 138 CB ARG A 10 15.352 1.455 -3.403 1.00 3.00 C ATOM 139 CG ARG A 10 15.646 0.967 -1.994 1.00 15.34 C ATOM 140 CD ARG A 10 14.428 1.103 -1.093 1.00 21.14 C ATOM 141 NE ARG A 10 14.551 2.230 -0.172 1.00 40.34 N ATOM 142 CZ ARG A 10 13.805 2.374 0.918 1.00 65.14 C ATOM 143 NH1 ARG A 10 12.889 1.466 1.222 1.00 33.22 N ATOM 144 NH2 ARG A 10 13.977 3.428 1.706 1.00 74.51 N ATOM 0 H ARG A 10 14.903 3.421 -4.827 1.00 43.25 H new ATOM 0 HA ARG A 10 17.103 2.685 -3.200 1.00 22.03 H new ATOM 0 HB2 ARG A 10 14.432 2.039 -3.391 1.00 3.00 H new ATOM 0 HB3 ARG A 10 15.175 0.594 -4.047 1.00 3.00 H new ATOM 0 HG2 ARG A 10 15.961 -0.076 -2.027 1.00 15.34 H new ATOM 0 HG3 ARG A 10 16.475 1.537 -1.576 1.00 15.34 H new ATOM 0 HD2 ARG A 10 13.536 1.232 -1.706 1.00 21.14 H new ATOM 0 HD3 ARG A 10 14.294 0.183 -0.524 1.00 21.14 H new ATOM 0 HE ARG A 10 15.248 2.946 -0.377 1.00 40.34 H new ATOM 0 HH11 ARG A 10 12.755 0.654 0.619 1.00 33.22 H new ATOM 0 HH12 ARG A 10 12.317 1.579 2.059 1.00 33.22 H new ATOM 0 HH21 ARG A 10 14.682 4.128 1.475 1.00 74.51 H new ATOM 0 HH22 ARG A 10 13.404 3.538 2.543 1.00 74.51 H new ATOM 158 N VAL A 11 16.698 0.825 -5.914 1.00 51.31 N ATOM 159 CA VAL A 11 17.405 -0.023 -6.866 1.00 41.53 C ATOM 160 C VAL A 11 18.626 0.691 -7.436 1.00 22.31 C ATOM 161 O VAL A 11 19.701 0.103 -7.558 1.00 45.51 O ATOM 162 CB VAL A 11 16.487 -0.451 -8.026 1.00 52.34 C ATOM 163 CG1 VAL A 11 15.970 0.768 -8.776 1.00 71.30 C ATOM 164 CG2 VAL A 11 17.222 -1.393 -8.967 1.00 71.51 C ATOM 0 H VAL A 11 15.693 0.892 -6.074 1.00 51.31 H new ATOM 0 HA VAL A 11 17.727 -0.910 -6.321 1.00 41.53 H new ATOM 0 HB VAL A 11 15.631 -0.983 -7.611 1.00 52.34 H new ATOM 0 HG11 VAL A 11 15.323 0.446 -9.592 1.00 71.30 H new ATOM 0 HG12 VAL A 11 15.404 1.402 -8.093 1.00 71.30 H new ATOM 0 HG13 VAL A 11 16.812 1.330 -9.181 1.00 71.30 H new ATOM 0 HG21 VAL A 11 16.558 -1.685 -9.781 1.00 71.51 H new ATOM 0 HG22 VAL A 11 18.097 -0.889 -9.376 1.00 71.51 H new ATOM 0 HG23 VAL A 11 17.538 -2.281 -8.419 1.00 71.51 H new ATOM 174 N LYS A 12 18.454 1.962 -7.783 1.00 32.40 N ATOM 175 CA LYS A 12 19.542 2.758 -8.339 1.00 34.15 C ATOM 176 C LYS A 12 20.683 2.895 -7.336 1.00 32.33 C ATOM 177 O LYS A 12 21.846 2.668 -7.669 1.00 3.04 O ATOM 178 CB LYS A 12 19.033 4.144 -8.740 1.00 53.14 C ATOM 179 CG LYS A 12 18.713 4.269 -10.220 1.00 43.30 C ATOM 180 CD LYS A 12 17.715 3.215 -10.666 1.00 75.31 C ATOM 181 CE LYS A 12 17.431 3.311 -12.157 1.00 55.42 C ATOM 182 NZ LYS A 12 16.937 4.663 -12.541 1.00 60.24 N ATOM 0 H LYS A 12 17.571 2.463 -7.689 1.00 32.40 H new ATOM 0 HA LYS A 12 19.919 2.245 -9.224 1.00 34.15 H new ATOM 0 HB2 LYS A 12 18.138 4.374 -8.162 1.00 53.14 H new ATOM 0 HB3 LYS A 12 19.784 4.888 -8.475 1.00 53.14 H new ATOM 0 HG2 LYS A 12 18.311 5.261 -10.423 1.00 43.30 H new ATOM 0 HG3 LYS A 12 19.630 4.172 -10.801 1.00 43.30 H new ATOM 0 HD2 LYS A 12 18.102 2.223 -10.432 1.00 75.31 H new ATOM 0 HD3 LYS A 12 16.786 3.334 -10.109 1.00 75.31 H new ATOM 0 HE2 LYS A 12 18.339 3.084 -12.715 1.00 55.42 H new ATOM 0 HE3 LYS A 12 16.690 2.561 -12.435 1.00 55.42 H new ATOM 0 HZ1 LYS A 12 16.276 4.577 -13.339 1.00 60.24 H new ATOM 0 HZ2 LYS A 12 16.448 5.097 -11.732 1.00 60.24 H new ATOM 0 HZ3 LYS A 12 17.741 5.260 -12.820 1.00 60.24 H new ATOM 196 N LYS A 13 20.342 3.266 -6.106 1.00 65.50 N ATOM 197 CA LYS A 13 21.338 3.430 -5.053 1.00 75.10 C ATOM 198 C LYS A 13 22.231 2.198 -4.952 1.00 21.14 C ATOM 199 O LYS A 13 23.456 2.311 -4.905 1.00 24.23 O ATOM 200 CB LYS A 13 20.651 3.687 -3.710 1.00 31.03 C ATOM 201 CG LYS A 13 21.609 3.713 -2.532 1.00 24.33 C ATOM 202 CD LYS A 13 20.945 4.271 -1.284 1.00 71.43 C ATOM 203 CE LYS A 13 19.937 3.290 -0.704 1.00 1.42 C ATOM 204 NZ LYS A 13 19.636 3.585 0.724 1.00 11.34 N ATOM 0 H LYS A 13 19.384 3.459 -5.814 1.00 65.50 H new ATOM 0 HA LYS A 13 21.961 4.288 -5.306 1.00 75.10 H new ATOM 0 HB2 LYS A 13 20.122 4.639 -3.758 1.00 31.03 H new ATOM 0 HB3 LYS A 13 19.901 2.914 -3.541 1.00 31.03 H new ATOM 0 HG2 LYS A 13 21.969 2.704 -2.333 1.00 24.33 H new ATOM 0 HG3 LYS A 13 22.480 4.319 -2.783 1.00 24.33 H new ATOM 0 HD2 LYS A 13 21.705 4.498 -0.537 1.00 71.43 H new ATOM 0 HD3 LYS A 13 20.445 5.209 -1.525 1.00 71.43 H new ATOM 0 HE2 LYS A 13 19.016 3.330 -1.285 1.00 1.42 H new ATOM 0 HE3 LYS A 13 20.326 2.275 -0.791 1.00 1.42 H new ATOM 0 HZ1 LYS A 13 18.946 2.895 1.083 1.00 11.34 H new ATOM 0 HZ2 LYS A 13 20.511 3.523 1.283 1.00 11.34 H new ATOM 0 HZ3 LYS A 13 19.241 4.544 0.805 1.00 11.34 H new ATOM 218 N ILE A 14 21.610 1.024 -4.920 1.00 24.53 N ATOM 219 CA ILE A 14 22.350 -0.229 -4.827 1.00 5.23 C ATOM 220 C ILE A 14 23.259 -0.421 -6.036 1.00 62.40 C ATOM 221 O ILE A 14 24.475 -0.559 -5.896 1.00 12.21 O ATOM 222 CB ILE A 14 21.401 -1.437 -4.714 1.00 44.52 C ATOM 223 CG1 ILE A 14 20.547 -1.325 -3.450 1.00 32.31 C ATOM 224 CG2 ILE A 14 22.195 -2.735 -4.711 1.00 55.24 C ATOM 225 CD1 ILE A 14 19.060 -1.299 -3.726 1.00 52.32 C ATOM 0 H ILE A 14 20.597 0.914 -4.957 1.00 24.53 H new ATOM 0 HA ILE A 14 22.958 -0.170 -3.924 1.00 5.23 H new ATOM 0 HB ILE A 14 20.737 -1.442 -5.579 1.00 44.52 H new ATOM 0 HG12 ILE A 14 20.772 -2.166 -2.794 1.00 32.31 H new ATOM 0 HG13 ILE A 14 20.825 -0.418 -2.913 1.00 32.31 H new ATOM 0 HG21 ILE A 14 21.511 -3.580 -4.631 1.00 55.24 H new ATOM 0 HG22 ILE A 14 22.764 -2.816 -5.637 1.00 55.24 H new ATOM 0 HG23 ILE A 14 22.880 -2.741 -3.863 1.00 55.24 H new ATOM 0 HD11 ILE A 14 18.517 -1.218 -2.785 1.00 52.32 H new ATOM 0 HD12 ILE A 14 18.822 -0.443 -4.357 1.00 52.32 H new ATOM 0 HD13 ILE A 14 18.768 -2.217 -4.236 1.00 52.32 H new ATOM 237 N ILE A 15 22.662 -0.429 -7.223 1.00 13.22 N ATOM 238 CA ILE A 15 23.418 -0.601 -8.457 1.00 73.40 C ATOM 239 C ILE A 15 24.586 0.376 -8.527 1.00 61.03 C ATOM 240 O ILE A 15 25.626 0.077 -9.115 1.00 34.41 O ATOM 241 CB ILE A 15 22.524 -0.406 -9.696 1.00 65.13 C ATOM 242 CG1 ILE A 15 21.383 -1.425 -9.695 1.00 11.11 C ATOM 243 CG2 ILE A 15 23.350 -0.529 -10.969 1.00 14.14 C ATOM 244 CD1 ILE A 15 20.205 -1.014 -10.550 1.00 42.15 C ATOM 0 H ILE A 15 21.657 -0.318 -7.356 1.00 13.22 H new ATOM 0 HA ILE A 15 23.802 -1.621 -8.453 1.00 73.40 H new ATOM 0 HB ILE A 15 22.092 0.594 -9.660 1.00 65.13 H new ATOM 0 HG12 ILE A 15 21.762 -2.383 -10.050 1.00 11.11 H new ATOM 0 HG13 ILE A 15 21.043 -1.576 -8.671 1.00 11.11 H new ATOM 0 HG21 ILE A 15 22.705 -0.389 -11.836 1.00 14.14 H new ATOM 0 HG22 ILE A 15 24.131 0.232 -10.971 1.00 14.14 H new ATOM 0 HG23 ILE A 15 23.807 -1.518 -11.012 1.00 14.14 H new ATOM 0 HD11 ILE A 15 19.434 -1.783 -10.502 1.00 42.15 H new ATOM 0 HD12 ILE A 15 19.800 -0.071 -10.182 1.00 42.15 H new ATOM 0 HD13 ILE A 15 20.531 -0.891 -11.583 1.00 42.15 H new ATOM 256 N VAL A 16 24.409 1.546 -7.922 1.00 51.22 N ATOM 257 CA VAL A 16 25.449 2.568 -7.913 1.00 64.51 C ATOM 258 C VAL A 16 26.497 2.276 -6.844 1.00 74.43 C ATOM 259 O VAL A 16 27.675 2.586 -7.015 1.00 52.34 O ATOM 260 CB VAL A 16 24.858 3.969 -7.668 1.00 64.41 C ATOM 261 CG1 VAL A 16 25.968 5.000 -7.530 1.00 21.33 C ATOM 262 CG2 VAL A 16 23.904 4.348 -8.791 1.00 22.35 C ATOM 0 H VAL A 16 23.555 1.810 -7.431 1.00 51.22 H new ATOM 0 HA VAL A 16 25.921 2.548 -8.895 1.00 64.51 H new ATOM 0 HB VAL A 16 24.295 3.949 -6.735 1.00 64.41 H new ATOM 0 HG11 VAL A 16 25.531 5.984 -7.357 1.00 21.33 H new ATOM 0 HG12 VAL A 16 26.609 4.735 -6.689 1.00 21.33 H new ATOM 0 HG13 VAL A 16 26.560 5.021 -8.445 1.00 21.33 H new ATOM 0 HG21 VAL A 16 23.496 5.341 -8.602 1.00 22.35 H new ATOM 0 HG22 VAL A 16 24.441 4.351 -9.739 1.00 22.35 H new ATOM 0 HG23 VAL A 16 23.091 3.624 -8.837 1.00 22.35 H new ATOM 272 N GLU A 17 26.058 1.676 -5.742 1.00 10.22 N ATOM 273 CA GLU A 17 26.959 1.343 -4.645 1.00 34.44 C ATOM 274 C GLU A 17 27.727 0.058 -4.943 1.00 13.15 C ATOM 275 O GLU A 17 28.761 -0.213 -4.334 1.00 24.11 O ATOM 276 CB GLU A 17 26.174 1.190 -3.340 1.00 20.32 C ATOM 277 CG GLU A 17 25.906 2.508 -2.633 1.00 23.44 C ATOM 278 CD GLU A 17 27.181 3.251 -2.283 1.00 15.50 C ATOM 279 OE1 GLU A 17 28.221 2.589 -2.089 1.00 32.22 O ATOM 280 OE2 GLU A 17 27.137 4.497 -2.204 1.00 12.11 O ATOM 0 H GLU A 17 25.086 1.411 -5.585 1.00 10.22 H new ATOM 0 HA GLU A 17 27.675 2.157 -4.537 1.00 34.44 H new ATOM 0 HB2 GLU A 17 25.223 0.702 -3.553 1.00 20.32 H new ATOM 0 HB3 GLU A 17 26.726 0.533 -2.668 1.00 20.32 H new ATOM 0 HG2 GLU A 17 25.286 3.138 -3.270 1.00 23.44 H new ATOM 0 HG3 GLU A 17 25.338 2.319 -1.722 1.00 23.44 H new ATOM 287 N GLN A 18 27.211 -0.728 -5.882 1.00 65.02 N ATOM 288 CA GLN A 18 27.848 -1.984 -6.260 1.00 30.31 C ATOM 289 C GLN A 18 28.787 -1.784 -7.445 1.00 22.13 C ATOM 290 O GLN A 18 29.983 -2.065 -7.357 1.00 22.12 O ATOM 291 CB GLN A 18 26.789 -3.033 -6.605 1.00 23.33 C ATOM 292 CG GLN A 18 25.910 -3.421 -5.426 1.00 44.34 C ATOM 293 CD GLN A 18 26.694 -3.567 -4.137 1.00 21.10 C ATOM 294 OE1 GLN A 18 27.098 -2.577 -3.527 1.00 10.14 O ATOM 295 NE2 GLN A 18 26.913 -4.807 -3.715 1.00 5.22 N ATOM 0 H GLN A 18 26.355 -0.518 -6.395 1.00 65.02 H new ATOM 0 HA GLN A 18 28.435 -2.335 -5.411 1.00 30.31 H new ATOM 0 HB2 GLN A 18 26.158 -2.650 -7.407 1.00 23.33 H new ATOM 0 HB3 GLN A 18 27.285 -3.925 -6.987 1.00 23.33 H new ATOM 0 HG2 GLN A 18 25.135 -2.667 -5.292 1.00 44.34 H new ATOM 0 HG3 GLN A 18 25.405 -4.361 -5.648 1.00 44.34 H new ATOM 0 HE21 GLN A 18 26.560 -5.599 -4.253 1.00 5.22 H new ATOM 0 HE22 GLN A 18 27.435 -4.968 -2.853 1.00 5.22 H new ATOM 304 N LEU A 19 28.239 -1.297 -8.552 1.00 74.54 N ATOM 305 CA LEU A 19 29.027 -1.060 -9.756 1.00 45.42 C ATOM 306 C LEU A 19 29.866 0.207 -9.616 1.00 70.14 C ATOM 307 O LEU A 19 31.066 0.202 -9.887 1.00 1.10 O ATOM 308 CB LEU A 19 28.111 -0.946 -10.976 1.00 64.40 C ATOM 309 CG LEU A 19 27.647 -2.267 -11.592 1.00 3.13 C ATOM 310 CD1 LEU A 19 26.710 -2.998 -10.643 1.00 54.34 C ATOM 311 CD2 LEU A 19 26.969 -2.021 -12.932 1.00 32.25 C ATOM 0 H LEU A 19 27.251 -1.058 -8.641 1.00 74.54 H new ATOM 0 HA LEU A 19 29.699 -1.907 -9.893 1.00 45.42 H new ATOM 0 HB2 LEU A 19 27.230 -0.371 -10.691 1.00 64.40 H new ATOM 0 HB3 LEU A 19 28.631 -0.373 -11.744 1.00 64.40 H new ATOM 0 HG LEU A 19 28.522 -2.895 -11.761 1.00 3.13 H new ATOM 0 HD11 LEU A 19 26.390 -3.935 -11.098 1.00 54.34 H new ATOM 0 HD12 LEU A 19 27.230 -3.207 -9.708 1.00 54.34 H new ATOM 0 HD13 LEU A 19 25.838 -2.376 -10.442 1.00 54.34 H new ATOM 0 HD21 LEU A 19 26.645 -2.972 -13.356 1.00 32.25 H new ATOM 0 HD22 LEU A 19 26.103 -1.374 -12.789 1.00 32.25 H new ATOM 0 HD23 LEU A 19 27.672 -1.541 -13.613 1.00 32.25 H new ATOM 323 N GLY A 20 29.225 1.291 -9.190 1.00 20.14 N ATOM 324 CA GLY A 20 29.928 2.549 -9.019 1.00 53.10 C ATOM 325 C GLY A 20 29.535 3.578 -10.060 1.00 42.24 C ATOM 326 O GLY A 20 29.726 4.778 -9.861 1.00 50.01 O ATOM 0 H GLY A 20 28.232 1.320 -8.960 1.00 20.14 H new ATOM 0 HA2 GLY A 20 29.721 2.945 -8.025 1.00 53.10 H new ATOM 0 HA3 GLY A 20 31.002 2.372 -9.075 1.00 53.10 H new ATOM 330 N VAL A 21 28.986 3.109 -11.176 1.00 62.04 N ATOM 331 CA VAL A 21 28.566 3.997 -12.254 1.00 3.01 C ATOM 332 C VAL A 21 27.605 5.064 -11.743 1.00 40.42 C ATOM 333 O VAL A 21 27.168 5.022 -10.593 1.00 70.31 O ATOM 334 CB VAL A 21 27.888 3.214 -13.394 1.00 43.42 C ATOM 335 CG1 VAL A 21 28.880 2.272 -14.058 1.00 62.34 C ATOM 336 CG2 VAL A 21 26.682 2.450 -12.871 1.00 72.21 C ATOM 0 H VAL A 21 28.822 2.119 -11.357 1.00 62.04 H new ATOM 0 HA VAL A 21 29.466 4.477 -12.638 1.00 3.01 H new ATOM 0 HB VAL A 21 27.541 3.925 -14.144 1.00 43.42 H new ATOM 0 HG11 VAL A 21 28.383 1.727 -14.861 1.00 62.34 H new ATOM 0 HG12 VAL A 21 29.709 2.848 -14.469 1.00 62.34 H new ATOM 0 HG13 VAL A 21 29.260 1.565 -13.321 1.00 62.34 H new ATOM 0 HG21 VAL A 21 26.215 1.903 -13.690 1.00 72.21 H new ATOM 0 HG22 VAL A 21 27.002 1.748 -12.101 1.00 72.21 H new ATOM 0 HG23 VAL A 21 25.963 3.151 -12.447 1.00 72.21 H new ATOM 346 N ASP A 22 27.279 6.021 -12.606 1.00 24.32 N ATOM 347 CA ASP A 22 26.368 7.100 -12.243 1.00 32.30 C ATOM 348 C ASP A 22 24.916 6.659 -12.397 1.00 55.02 C ATOM 349 O ASP A 22 24.527 6.122 -13.434 1.00 23.10 O ATOM 350 CB ASP A 22 26.634 8.333 -13.107 1.00 41.21 C ATOM 351 CG ASP A 22 26.193 9.618 -12.434 1.00 34.11 C ATOM 352 OD1 ASP A 22 26.301 9.704 -11.193 1.00 55.40 O ATOM 353 OD2 ASP A 22 25.738 10.537 -13.148 1.00 22.51 O ATOM 0 H ASP A 22 27.632 6.071 -13.562 1.00 24.32 H new ATOM 0 HA ASP A 22 26.543 7.354 -11.198 1.00 32.30 H new ATOM 0 HB2 ASP A 22 27.699 8.392 -13.333 1.00 41.21 H new ATOM 0 HB3 ASP A 22 26.112 8.226 -14.058 1.00 41.21 H new ATOM 358 N GLU A 23 24.119 6.889 -11.358 1.00 51.42 N ATOM 359 CA GLU A 23 22.710 6.514 -11.379 1.00 30.12 C ATOM 360 C GLU A 23 22.019 7.063 -12.623 1.00 54.52 C ATOM 361 O GLU A 23 21.067 6.470 -13.131 1.00 3.24 O ATOM 362 CB GLU A 23 22.004 7.026 -10.122 1.00 3.55 C ATOM 363 CG GLU A 23 21.967 8.542 -10.020 1.00 14.02 C ATOM 364 CD GLU A 23 20.791 9.147 -10.762 1.00 12.43 C ATOM 365 OE1 GLU A 23 19.647 8.712 -10.515 1.00 15.24 O ATOM 366 OE2 GLU A 23 21.014 10.055 -11.589 1.00 45.50 O ATOM 0 H GLU A 23 24.425 7.333 -10.492 1.00 51.42 H new ATOM 0 HA GLU A 23 22.651 5.426 -11.402 1.00 30.12 H new ATOM 0 HB2 GLU A 23 20.983 6.644 -10.108 1.00 3.55 H new ATOM 0 HB3 GLU A 23 22.507 6.623 -9.243 1.00 3.55 H new ATOM 0 HG2 GLU A 23 21.917 8.831 -8.970 1.00 14.02 H new ATOM 0 HG3 GLU A 23 22.894 8.952 -10.420 1.00 14.02 H new ATOM 373 N ALA A 24 22.504 8.201 -13.109 1.00 10.42 N ATOM 374 CA ALA A 24 21.935 8.831 -14.294 1.00 34.22 C ATOM 375 C ALA A 24 22.171 7.978 -15.536 1.00 31.24 C ATOM 376 O ALA A 24 21.224 7.567 -16.206 1.00 45.33 O ATOM 377 CB ALA A 24 22.522 10.221 -14.487 1.00 12.14 C ATOM 0 H ALA A 24 23.290 8.706 -12.700 1.00 10.42 H new ATOM 0 HA ALA A 24 20.859 8.921 -14.146 1.00 34.22 H new ATOM 0 HB1 ALA A 24 22.088 10.679 -15.376 1.00 12.14 H new ATOM 0 HB2 ALA A 24 22.297 10.835 -13.615 1.00 12.14 H new ATOM 0 HB3 ALA A 24 23.603 10.146 -14.609 1.00 12.14 H new ATOM 383 N GLU A 25 23.439 7.716 -15.836 1.00 22.04 N ATOM 384 CA GLU A 25 23.798 6.913 -16.999 1.00 22.25 C ATOM 385 C GLU A 25 23.090 5.561 -16.966 1.00 5.32 C ATOM 386 O GLU A 25 22.841 4.953 -18.007 1.00 12.23 O ATOM 387 CB GLU A 25 25.313 6.706 -17.055 1.00 43.23 C ATOM 388 CG GLU A 25 26.087 7.966 -17.408 1.00 34.15 C ATOM 389 CD GLU A 25 27.484 7.976 -16.820 1.00 22.05 C ATOM 390 OE1 GLU A 25 28.251 7.030 -17.098 1.00 42.41 O ATOM 391 OE2 GLU A 25 27.811 8.928 -16.081 1.00 40.31 O ATOM 0 H GLU A 25 24.234 8.048 -15.290 1.00 22.04 H new ATOM 0 HA GLU A 25 23.478 7.450 -17.892 1.00 22.25 H new ATOM 0 HB2 GLU A 25 25.657 6.337 -16.089 1.00 43.23 H new ATOM 0 HB3 GLU A 25 25.539 5.933 -17.790 1.00 43.23 H new ATOM 0 HG2 GLU A 25 26.153 8.056 -18.492 1.00 34.15 H new ATOM 0 HG3 GLU A 25 25.539 8.837 -17.049 1.00 34.15 H new ATOM 398 N VAL A 26 22.770 5.097 -15.762 1.00 62.53 N ATOM 399 CA VAL A 26 22.091 3.818 -15.592 1.00 70.44 C ATOM 400 C VAL A 26 20.655 3.887 -16.099 1.00 72.43 C ATOM 401 O VAL A 26 19.729 4.174 -15.340 1.00 5.22 O ATOM 402 CB VAL A 26 22.082 3.378 -14.116 1.00 42.42 C ATOM 403 CG1 VAL A 26 21.364 2.047 -13.959 1.00 54.02 C ATOM 404 CG2 VAL A 26 23.502 3.294 -13.577 1.00 63.04 C ATOM 0 H VAL A 26 22.970 5.588 -14.890 1.00 62.53 H new ATOM 0 HA VAL A 26 22.646 3.085 -16.178 1.00 70.44 H new ATOM 0 HB VAL A 26 21.541 4.125 -13.536 1.00 42.42 H new ATOM 0 HG11 VAL A 26 21.368 1.753 -12.909 1.00 54.02 H new ATOM 0 HG12 VAL A 26 20.335 2.146 -14.304 1.00 54.02 H new ATOM 0 HG13 VAL A 26 21.874 1.287 -14.551 1.00 54.02 H new ATOM 0 HG21 VAL A 26 23.477 2.982 -12.533 1.00 63.04 H new ATOM 0 HG22 VAL A 26 24.070 2.568 -14.159 1.00 63.04 H new ATOM 0 HG23 VAL A 26 23.978 4.272 -13.652 1.00 63.04 H new ATOM 414 N LYS A 27 20.475 3.620 -17.389 1.00 11.24 N ATOM 415 CA LYS A 27 19.151 3.650 -17.999 1.00 21.30 C ATOM 416 C LYS A 27 18.297 2.488 -17.501 1.00 55.44 C ATOM 417 O LYS A 27 18.804 1.398 -17.244 1.00 23.04 O ATOM 418 CB LYS A 27 19.269 3.594 -19.524 1.00 34.32 C ATOM 419 CG LYS A 27 20.005 4.780 -20.121 1.00 51.31 C ATOM 420 CD LYS A 27 19.812 4.856 -21.626 1.00 62.14 C ATOM 421 CE LYS A 27 20.714 5.909 -22.252 1.00 13.45 C ATOM 422 NZ LYS A 27 20.853 5.718 -23.722 1.00 3.42 N ATOM 0 H LYS A 27 21.230 3.380 -18.032 1.00 11.24 H new ATOM 0 HA LYS A 27 18.666 4.583 -17.712 1.00 21.30 H new ATOM 0 HB2 LYS A 27 19.786 2.677 -19.807 1.00 34.32 H new ATOM 0 HB3 LYS A 27 18.269 3.543 -19.956 1.00 34.32 H new ATOM 0 HG2 LYS A 27 19.647 5.701 -19.660 1.00 51.31 H new ATOM 0 HG3 LYS A 27 21.068 4.702 -19.893 1.00 51.31 H new ATOM 0 HD2 LYS A 27 20.024 3.884 -22.070 1.00 62.14 H new ATOM 0 HD3 LYS A 27 18.771 5.088 -21.849 1.00 62.14 H new ATOM 0 HE2 LYS A 27 20.308 6.900 -22.052 1.00 13.45 H new ATOM 0 HE3 LYS A 27 21.698 5.867 -21.786 1.00 13.45 H new ATOM 0 HZ1 LYS A 27 21.475 6.455 -24.111 1.00 3.42 H new ATOM 0 HZ2 LYS A 27 21.264 4.782 -23.913 1.00 3.42 H new ATOM 0 HZ3 LYS A 27 19.917 5.783 -24.171 1.00 3.42 H new ATOM 436 N ASN A 28 16.996 2.730 -17.370 1.00 42.12 N ATOM 437 CA ASN A 28 16.071 1.703 -16.904 1.00 41.44 C ATOM 438 C ASN A 28 15.963 0.568 -17.918 1.00 24.02 C ATOM 439 O ASN A 28 15.874 -0.602 -17.546 1.00 51.43 O ATOM 440 CB ASN A 28 14.689 2.309 -16.652 1.00 1.33 C ATOM 441 CG ASN A 28 14.557 2.886 -15.255 1.00 60.32 C ATOM 442 OD1 ASN A 28 14.964 4.019 -14.998 1.00 61.23 O ATOM 443 ND2 ASN A 28 13.986 2.106 -14.345 1.00 32.40 N ATOM 0 H ASN A 28 16.559 3.628 -17.580 1.00 42.12 H new ATOM 0 HA ASN A 28 16.459 1.297 -15.970 1.00 41.44 H new ATOM 0 HB2 ASN A 28 14.500 3.093 -17.385 1.00 1.33 H new ATOM 0 HB3 ASN A 28 13.927 1.544 -16.800 1.00 1.33 H new ATOM 0 HD21 ASN A 28 13.870 2.439 -13.388 1.00 32.40 H new ATOM 0 HD22 ASN A 28 13.663 1.173 -14.603 1.00 32.40 H new ATOM 450 N GLU A 29 15.973 0.923 -19.199 1.00 23.40 N ATOM 451 CA GLU A 29 15.876 -0.067 -20.266 1.00 25.05 C ATOM 452 C GLU A 29 17.262 -0.538 -20.699 1.00 10.44 C ATOM 453 O GLU A 29 17.597 -0.508 -21.882 1.00 63.12 O ATOM 454 CB GLU A 29 15.126 0.515 -21.465 1.00 14.10 C ATOM 455 CG GLU A 29 15.738 1.798 -22.002 1.00 70.44 C ATOM 456 CD GLU A 29 15.391 2.045 -23.458 1.00 30.43 C ATOM 457 OE1 GLU A 29 14.202 1.915 -23.815 1.00 14.11 O ATOM 458 OE2 GLU A 29 16.310 2.368 -24.239 1.00 71.24 O ATOM 0 H GLU A 29 16.047 1.887 -19.523 1.00 23.40 H new ATOM 0 HA GLU A 29 15.323 -0.924 -19.882 1.00 25.05 H new ATOM 0 HB2 GLU A 29 15.102 -0.227 -22.263 1.00 14.10 H new ATOM 0 HB3 GLU A 29 14.092 0.708 -21.177 1.00 14.10 H new ATOM 0 HG2 GLU A 29 15.392 2.640 -21.402 1.00 70.44 H new ATOM 0 HG3 GLU A 29 16.822 1.753 -21.893 1.00 70.44 H new ATOM 465 N ALA A 30 18.063 -0.971 -19.730 1.00 53.23 N ATOM 466 CA ALA A 30 19.411 -1.449 -20.010 1.00 52.15 C ATOM 467 C ALA A 30 19.771 -2.630 -19.116 1.00 63.10 C ATOM 468 O ALA A 30 19.454 -2.640 -17.927 1.00 34.22 O ATOM 469 CB ALA A 30 20.418 -0.323 -19.832 1.00 50.50 C ATOM 0 H ALA A 30 17.801 -1.000 -18.745 1.00 53.23 H new ATOM 0 HA ALA A 30 19.442 -1.788 -21.045 1.00 52.15 H new ATOM 0 HB1 ALA A 30 21.420 -0.694 -20.044 1.00 50.50 H new ATOM 0 HB2 ALA A 30 20.180 0.490 -20.518 1.00 50.50 H new ATOM 0 HB3 ALA A 30 20.377 0.043 -18.806 1.00 50.50 H new ATOM 475 N SER A 31 20.436 -3.624 -19.696 1.00 31.50 N ATOM 476 CA SER A 31 20.836 -4.813 -18.952 1.00 34.11 C ATOM 477 C SER A 31 22.098 -4.546 -18.138 1.00 43.34 C ATOM 478 O SER A 31 22.819 -3.580 -18.389 1.00 43.32 O ATOM 479 CB SER A 31 21.070 -5.984 -19.908 1.00 32.41 C ATOM 480 OG SER A 31 20.023 -6.085 -20.858 1.00 11.53 O ATOM 0 H SER A 31 20.709 -3.630 -20.679 1.00 31.50 H new ATOM 0 HA SER A 31 20.030 -5.070 -18.265 1.00 34.11 H new ATOM 0 HB2 SER A 31 22.021 -5.852 -20.423 1.00 32.41 H new ATOM 0 HB3 SER A 31 21.141 -6.912 -19.341 1.00 32.41 H new ATOM 0 HG SER A 31 20.014 -6.987 -21.240 1.00 11.53 H new ATOM 486 N PHE A 32 22.359 -5.409 -17.162 1.00 45.32 N ATOM 487 CA PHE A 32 23.534 -5.266 -16.310 1.00 22.50 C ATOM 488 C PHE A 32 24.806 -5.623 -17.073 1.00 64.04 C ATOM 489 O PHE A 32 25.900 -5.182 -16.720 1.00 41.23 O ATOM 490 CB PHE A 32 23.403 -6.156 -15.072 1.00 11.33 C ATOM 491 CG PHE A 32 22.134 -5.927 -14.302 1.00 32.35 C ATOM 492 CD1 PHE A 32 21.635 -4.646 -14.127 1.00 72.51 C ATOM 493 CD2 PHE A 32 21.440 -6.993 -13.752 1.00 74.25 C ATOM 494 CE1 PHE A 32 20.468 -4.434 -13.418 1.00 53.42 C ATOM 495 CE2 PHE A 32 20.272 -6.787 -13.043 1.00 14.52 C ATOM 496 CZ PHE A 32 19.785 -5.505 -12.876 1.00 54.14 C ATOM 0 H PHE A 32 21.773 -6.214 -16.941 1.00 45.32 H new ATOM 0 HA PHE A 32 23.600 -4.224 -15.996 1.00 22.50 H new ATOM 0 HB2 PHE A 32 23.449 -7.201 -15.379 1.00 11.33 H new ATOM 0 HB3 PHE A 32 24.254 -5.979 -14.415 1.00 11.33 H new ATOM 0 HD1 PHE A 32 22.164 -3.804 -14.549 1.00 72.51 H new ATOM 0 HD2 PHE A 32 21.817 -7.997 -13.879 1.00 74.25 H new ATOM 0 HE1 PHE A 32 20.090 -3.431 -13.288 1.00 53.42 H new ATOM 0 HE2 PHE A 32 19.741 -7.627 -12.620 1.00 14.52 H new ATOM 0 HZ PHE A 32 18.872 -5.341 -12.323 1.00 54.14 H new ATOM 506 N VAL A 33 24.655 -6.426 -18.122 1.00 52.42 N ATOM 507 CA VAL A 33 25.790 -6.842 -18.937 1.00 1.13 C ATOM 508 C VAL A 33 25.542 -6.555 -20.413 1.00 73.13 C ATOM 509 O VAL A 33 26.388 -5.975 -21.094 1.00 75.25 O ATOM 510 CB VAL A 33 26.088 -8.343 -18.760 1.00 13.35 C ATOM 511 CG1 VAL A 33 27.291 -8.751 -19.596 1.00 32.11 C ATOM 512 CG2 VAL A 33 26.313 -8.671 -17.291 1.00 75.13 C ATOM 0 H VAL A 33 23.757 -6.801 -18.427 1.00 52.42 H new ATOM 0 HA VAL A 33 26.651 -6.266 -18.598 1.00 1.13 H new ATOM 0 HB VAL A 33 25.225 -8.911 -19.108 1.00 13.35 H new ATOM 0 HG11 VAL A 33 27.486 -9.814 -19.458 1.00 32.11 H new ATOM 0 HG12 VAL A 33 27.087 -8.553 -20.648 1.00 32.11 H new ATOM 0 HG13 VAL A 33 28.164 -8.178 -19.282 1.00 32.11 H new ATOM 0 HG21 VAL A 33 26.522 -9.735 -17.184 1.00 75.13 H new ATOM 0 HG22 VAL A 33 27.159 -8.095 -16.915 1.00 75.13 H new ATOM 0 HG23 VAL A 33 25.419 -8.418 -16.721 1.00 75.13 H new ATOM 522 N ASP A 34 24.376 -6.965 -20.902 1.00 1.53 N ATOM 523 CA ASP A 34 24.015 -6.750 -22.298 1.00 74.31 C ATOM 524 C ASP A 34 24.157 -5.279 -22.677 1.00 30.42 C ATOM 525 O ASP A 34 24.416 -4.948 -23.834 1.00 71.40 O ATOM 526 CB ASP A 34 22.581 -7.219 -22.554 1.00 24.22 C ATOM 527 CG ASP A 34 22.378 -7.711 -23.973 1.00 72.22 C ATOM 528 OD1 ASP A 34 22.879 -7.051 -24.907 1.00 54.12 O ATOM 529 OD2 ASP A 34 21.717 -8.756 -24.150 1.00 71.23 O ATOM 0 H ASP A 34 23.665 -7.448 -20.352 1.00 1.53 H new ATOM 0 HA ASP A 34 24.697 -7.333 -22.917 1.00 74.31 H new ATOM 0 HB2 ASP A 34 22.333 -8.019 -21.856 1.00 24.22 H new ATOM 0 HB3 ASP A 34 21.892 -6.398 -22.355 1.00 24.22 H new ATOM 534 N ASP A 35 23.985 -4.402 -21.695 1.00 2.34 N ATOM 535 CA ASP A 35 24.094 -2.966 -21.924 1.00 44.25 C ATOM 536 C ASP A 35 25.341 -2.401 -21.250 1.00 53.21 C ATOM 537 O ASP A 35 26.306 -2.028 -21.918 1.00 63.41 O ATOM 538 CB ASP A 35 22.848 -2.248 -21.404 1.00 60.12 C ATOM 539 CG ASP A 35 22.843 -0.772 -21.750 1.00 71.24 C ATOM 540 OD1 ASP A 35 22.524 -0.436 -22.910 1.00 43.43 O ATOM 541 OD2 ASP A 35 23.157 0.046 -20.861 1.00 54.54 O ATOM 0 H ASP A 35 23.769 -4.660 -20.732 1.00 2.34 H new ATOM 0 HA ASP A 35 24.177 -2.800 -22.998 1.00 44.25 H new ATOM 0 HB2 ASP A 35 21.959 -2.719 -21.823 1.00 60.12 H new ATOM 0 HB3 ASP A 35 22.790 -2.365 -20.322 1.00 60.12 H new ATOM 546 N LEU A 36 25.312 -2.339 -19.923 1.00 44.35 N ATOM 547 CA LEU A 36 26.440 -1.818 -19.158 1.00 14.23 C ATOM 548 C LEU A 36 27.730 -2.543 -19.526 1.00 72.22 C ATOM 549 O LEU A 36 28.678 -1.933 -20.018 1.00 62.21 O ATOM 550 CB LEU A 36 26.172 -1.959 -17.658 1.00 72.33 C ATOM 551 CG LEU A 36 24.853 -1.372 -17.154 1.00 4.14 C ATOM 552 CD1 LEU A 36 24.583 -1.817 -15.725 1.00 31.22 C ATOM 553 CD2 LEU A 36 24.876 0.147 -17.246 1.00 24.15 C ATOM 0 H LEU A 36 24.521 -2.643 -19.355 1.00 44.35 H new ATOM 0 HA LEU A 36 26.557 -0.762 -19.403 1.00 14.23 H new ATOM 0 HB2 LEU A 36 26.196 -3.018 -17.403 1.00 72.33 H new ATOM 0 HB3 LEU A 36 26.989 -1.482 -17.117 1.00 72.33 H new ATOM 0 HG LEU A 36 24.047 -1.742 -17.787 1.00 4.14 H new ATOM 0 HD11 LEU A 36 23.640 -1.390 -15.383 1.00 31.22 H new ATOM 0 HD12 LEU A 36 24.523 -2.905 -15.688 1.00 31.22 H new ATOM 0 HD13 LEU A 36 25.392 -1.476 -15.079 1.00 31.22 H new ATOM 0 HD21 LEU A 36 23.930 0.548 -16.883 1.00 24.15 H new ATOM 0 HD22 LEU A 36 25.692 0.536 -16.637 1.00 24.15 H new ATOM 0 HD23 LEU A 36 25.023 0.446 -18.284 1.00 24.15 H new ATOM 565 N GLY A 37 27.757 -3.851 -19.286 1.00 40.22 N ATOM 566 CA GLY A 37 28.935 -4.638 -19.601 1.00 34.33 C ATOM 567 C GLY A 37 29.515 -5.325 -18.381 1.00 24.52 C ATOM 568 O GLY A 37 30.692 -5.685 -18.364 1.00 61.42 O ATOM 0 H GLY A 37 26.985 -4.379 -18.879 1.00 40.22 H new ATOM 0 HA2 GLY A 37 28.678 -5.388 -20.349 1.00 34.33 H new ATOM 0 HA3 GLY A 37 29.692 -3.992 -20.045 1.00 34.33 H new ATOM 572 N ALA A 38 28.689 -5.507 -17.356 1.00 11.50 N ATOM 573 CA ALA A 38 29.127 -6.155 -16.126 1.00 62.14 C ATOM 574 C ALA A 38 29.319 -7.654 -16.334 1.00 40.54 C ATOM 575 O ALA A 38 29.207 -8.154 -17.454 1.00 11.13 O ATOM 576 CB ALA A 38 28.127 -5.899 -15.009 1.00 74.31 C ATOM 0 H ALA A 38 27.712 -5.214 -17.353 1.00 11.50 H new ATOM 0 HA ALA A 38 30.089 -5.728 -15.842 1.00 62.14 H new ATOM 0 HB1 ALA A 38 28.467 -6.389 -14.097 1.00 74.31 H new ATOM 0 HB2 ALA A 38 28.043 -4.826 -14.835 1.00 74.31 H new ATOM 0 HB3 ALA A 38 27.153 -6.298 -15.294 1.00 74.31 H new ATOM 582 N ASP A 39 29.609 -8.364 -15.250 1.00 63.12 N ATOM 583 CA ASP A 39 29.817 -9.806 -15.314 1.00 74.20 C ATOM 584 C ASP A 39 28.728 -10.546 -14.543 1.00 21.31 C ATOM 585 O ASP A 39 27.879 -9.928 -13.901 1.00 21.33 O ATOM 586 CB ASP A 39 31.193 -10.170 -14.755 1.00 33.44 C ATOM 587 CG ASP A 39 32.322 -9.505 -15.516 1.00 40.22 C ATOM 588 OD1 ASP A 39 32.654 -9.982 -16.621 1.00 61.21 O ATOM 589 OD2 ASP A 39 32.874 -8.507 -15.007 1.00 4.01 O ATOM 0 H ASP A 39 29.705 -7.965 -14.316 1.00 63.12 H new ATOM 0 HA ASP A 39 29.767 -10.110 -16.360 1.00 74.20 H new ATOM 0 HB2 ASP A 39 31.244 -9.878 -13.706 1.00 33.44 H new ATOM 0 HB3 ASP A 39 31.322 -11.252 -14.791 1.00 33.44 H new ATOM 594 N SER A 40 28.759 -11.873 -14.612 1.00 60.32 N ATOM 595 CA SER A 40 27.772 -12.698 -13.925 1.00 2.23 C ATOM 596 C SER A 40 27.677 -12.316 -12.451 1.00 1.33 C ATOM 597 O SER A 40 26.584 -12.221 -11.891 1.00 30.21 O ATOM 598 CB SER A 40 28.133 -14.179 -14.057 1.00 54.21 C ATOM 599 OG SER A 40 27.118 -15.002 -13.508 1.00 52.41 O ATOM 0 H SER A 40 29.457 -12.400 -15.137 1.00 60.32 H new ATOM 0 HA SER A 40 26.802 -12.525 -14.391 1.00 2.23 H new ATOM 0 HB2 SER A 40 28.279 -14.429 -15.108 1.00 54.21 H new ATOM 0 HB3 SER A 40 29.078 -14.373 -13.549 1.00 54.21 H new ATOM 0 HG SER A 40 27.372 -15.944 -13.606 1.00 52.41 H new ATOM 605 N LEU A 41 28.830 -12.097 -11.827 1.00 73.24 N ATOM 606 CA LEU A 41 28.879 -11.725 -10.418 1.00 35.03 C ATOM 607 C LEU A 41 28.055 -10.468 -10.158 1.00 11.25 C ATOM 608 O LEU A 41 27.479 -10.303 -9.082 1.00 53.42 O ATOM 609 CB LEU A 41 30.327 -11.500 -9.979 1.00 54.43 C ATOM 610 CG LEU A 41 30.640 -11.805 -8.514 1.00 15.30 C ATOM 611 CD1 LEU A 41 30.735 -13.306 -8.290 1.00 11.21 C ATOM 612 CD2 LEU A 41 31.929 -11.117 -8.090 1.00 22.23 C ATOM 0 H LEU A 41 29.743 -12.171 -12.275 1.00 73.24 H new ATOM 0 HA LEU A 41 28.453 -12.543 -9.837 1.00 35.03 H new ATOM 0 HB2 LEU A 41 30.975 -12.115 -10.604 1.00 54.43 H new ATOM 0 HB3 LEU A 41 30.588 -10.460 -10.176 1.00 54.43 H new ATOM 0 HG LEU A 41 29.827 -11.418 -7.900 1.00 15.30 H new ATOM 0 HD11 LEU A 41 30.958 -13.504 -7.242 1.00 11.21 H new ATOM 0 HD12 LEU A 41 29.787 -13.774 -8.554 1.00 11.21 H new ATOM 0 HD13 LEU A 41 31.528 -13.717 -8.914 1.00 11.21 H new ATOM 0 HD21 LEU A 41 32.136 -11.345 -7.044 1.00 22.23 H new ATOM 0 HD22 LEU A 41 32.752 -11.473 -8.709 1.00 22.23 H new ATOM 0 HD23 LEU A 41 31.823 -10.039 -8.212 1.00 22.23 H new ATOM 624 N ASP A 42 28.002 -9.586 -11.149 1.00 43.34 N ATOM 625 CA ASP A 42 27.246 -8.344 -11.029 1.00 62.54 C ATOM 626 C ASP A 42 25.750 -8.626 -10.938 1.00 32.45 C ATOM 627 O ASP A 42 25.084 -8.204 -9.992 1.00 12.22 O ATOM 628 CB ASP A 42 27.533 -7.430 -12.221 1.00 63.25 C ATOM 629 CG ASP A 42 27.272 -5.970 -11.907 1.00 65.23 C ATOM 630 OD1 ASP A 42 26.088 -5.585 -11.815 1.00 72.14 O ATOM 631 OD2 ASP A 42 28.253 -5.213 -11.752 1.00 51.34 O ATOM 0 H ASP A 42 28.474 -9.707 -12.045 1.00 43.34 H new ATOM 0 HA ASP A 42 27.560 -7.843 -10.113 1.00 62.54 H new ATOM 0 HB2 ASP A 42 28.572 -7.553 -12.527 1.00 63.25 H new ATOM 0 HB3 ASP A 42 26.914 -7.733 -13.065 1.00 63.25 H new ATOM 636 N THR A 43 25.226 -9.343 -11.927 1.00 52.13 N ATOM 637 CA THR A 43 23.808 -9.679 -11.960 1.00 21.43 C ATOM 638 C THR A 43 23.370 -10.340 -10.657 1.00 52.55 C ATOM 639 O THR A 43 22.428 -9.887 -10.006 1.00 42.34 O ATOM 640 CB THR A 43 23.481 -10.620 -13.135 1.00 31.45 C ATOM 641 OG1 THR A 43 24.355 -11.755 -13.112 1.00 15.24 O ATOM 642 CG2 THR A 43 23.619 -9.894 -14.464 1.00 60.31 C ATOM 0 H THR A 43 25.763 -9.702 -12.716 1.00 52.13 H new ATOM 0 HA THR A 43 23.264 -8.744 -12.091 1.00 21.43 H new ATOM 0 HB THR A 43 22.449 -10.955 -13.027 1.00 31.45 H new ATOM 0 HG1 THR A 43 25.198 -11.510 -12.676 1.00 15.24 H new ATOM 0 HG21 THR A 43 23.383 -10.579 -15.279 1.00 60.31 H new ATOM 0 HG22 THR A 43 22.931 -9.049 -14.490 1.00 60.31 H new ATOM 0 HG23 THR A 43 24.641 -9.534 -14.577 1.00 60.31 H new ATOM 650 N VAL A 44 24.059 -11.412 -10.282 1.00 30.50 N ATOM 651 CA VAL A 44 23.742 -12.134 -9.056 1.00 34.25 C ATOM 652 C VAL A 44 23.813 -11.214 -7.842 1.00 42.01 C ATOM 653 O VAL A 44 23.012 -11.330 -6.915 1.00 62.13 O ATOM 654 CB VAL A 44 24.697 -13.324 -8.841 1.00 54.51 C ATOM 655 CG1 VAL A 44 24.537 -14.344 -9.958 1.00 25.34 C ATOM 656 CG2 VAL A 44 26.136 -12.841 -8.750 1.00 42.42 C ATOM 0 H VAL A 44 24.841 -11.800 -10.810 1.00 30.50 H new ATOM 0 HA VAL A 44 22.725 -12.510 -9.165 1.00 34.25 H new ATOM 0 HB VAL A 44 24.441 -13.809 -7.899 1.00 54.51 H new ATOM 0 HG11 VAL A 44 25.219 -15.178 -9.790 1.00 25.34 H new ATOM 0 HG12 VAL A 44 23.511 -14.712 -9.971 1.00 25.34 H new ATOM 0 HG13 VAL A 44 24.766 -13.875 -10.915 1.00 25.34 H new ATOM 0 HG21 VAL A 44 26.797 -13.694 -8.598 1.00 42.42 H new ATOM 0 HG22 VAL A 44 26.408 -12.331 -9.674 1.00 42.42 H new ATOM 0 HG23 VAL A 44 26.236 -12.151 -7.912 1.00 42.42 H new ATOM 666 N GLU A 45 24.778 -10.299 -7.856 1.00 31.41 N ATOM 667 CA GLU A 45 24.954 -9.359 -6.755 1.00 72.14 C ATOM 668 C GLU A 45 23.692 -8.527 -6.544 1.00 20.44 C ATOM 669 O GLU A 45 23.209 -8.386 -5.419 1.00 62.12 O ATOM 670 CB GLU A 45 26.145 -8.438 -7.028 1.00 21.24 C ATOM 671 CG GLU A 45 26.469 -7.505 -5.873 1.00 64.10 C ATOM 672 CD GLU A 45 26.474 -8.215 -4.533 1.00 13.30 C ATOM 673 OE1 GLU A 45 27.339 -9.092 -4.330 1.00 21.12 O ATOM 674 OE2 GLU A 45 25.612 -7.893 -3.688 1.00 63.51 O ATOM 0 H GLU A 45 25.449 -10.189 -8.617 1.00 31.41 H new ATOM 0 HA GLU A 45 25.147 -9.932 -5.848 1.00 72.14 H new ATOM 0 HB2 GLU A 45 27.022 -9.047 -7.249 1.00 21.24 H new ATOM 0 HB3 GLU A 45 25.937 -7.843 -7.918 1.00 21.24 H new ATOM 0 HG2 GLU A 45 27.445 -7.049 -6.042 1.00 64.10 H new ATOM 0 HG3 GLU A 45 25.739 -6.696 -5.849 1.00 64.10 H new ATOM 681 N LEU A 46 23.163 -7.978 -7.631 1.00 61.44 N ATOM 682 CA LEU A 46 21.957 -7.160 -7.566 1.00 44.43 C ATOM 683 C LEU A 46 20.771 -7.976 -7.064 1.00 61.41 C ATOM 684 O LEU A 46 20.021 -7.532 -6.195 1.00 40.41 O ATOM 685 CB LEU A 46 21.641 -6.573 -8.943 1.00 11.41 C ATOM 686 CG LEU A 46 22.779 -5.813 -9.627 1.00 35.34 C ATOM 687 CD1 LEU A 46 22.273 -5.102 -10.872 1.00 12.00 C ATOM 688 CD2 LEU A 46 23.412 -4.820 -8.663 1.00 34.21 C ATOM 0 H LEU A 46 23.550 -8.084 -8.569 1.00 61.44 H new ATOM 0 HA LEU A 46 22.137 -6.347 -6.863 1.00 44.43 H new ATOM 0 HB2 LEU A 46 21.328 -7.385 -9.599 1.00 11.41 H new ATOM 0 HB3 LEU A 46 20.790 -5.899 -8.842 1.00 11.41 H new ATOM 0 HG LEU A 46 23.541 -6.532 -9.929 1.00 35.34 H new ATOM 0 HD11 LEU A 46 23.096 -4.567 -11.345 1.00 12.00 H new ATOM 0 HD12 LEU A 46 21.868 -5.835 -11.570 1.00 12.00 H new ATOM 0 HD13 LEU A 46 21.492 -4.394 -10.595 1.00 12.00 H new ATOM 0 HD21 LEU A 46 24.220 -4.288 -9.166 1.00 34.21 H new ATOM 0 HD22 LEU A 46 22.659 -4.105 -8.330 1.00 34.21 H new ATOM 0 HD23 LEU A 46 23.811 -5.354 -7.801 1.00 34.21 H new ATOM 700 N VAL A 47 20.608 -9.175 -7.616 1.00 3.23 N ATOM 701 CA VAL A 47 19.515 -10.056 -7.222 1.00 3.34 C ATOM 702 C VAL A 47 19.466 -10.226 -5.707 1.00 74.24 C ATOM 703 O VAL A 47 18.410 -10.082 -5.091 1.00 5.52 O ATOM 704 CB VAL A 47 19.647 -11.442 -7.879 1.00 70.23 C ATOM 705 CG1 VAL A 47 18.518 -12.357 -7.429 1.00 1.45 C ATOM 706 CG2 VAL A 47 19.666 -11.313 -9.395 1.00 5.12 C ATOM 0 H VAL A 47 21.219 -9.558 -8.337 1.00 3.23 H new ATOM 0 HA VAL A 47 18.592 -9.588 -7.563 1.00 3.34 H new ATOM 0 HB VAL A 47 20.591 -11.886 -7.562 1.00 70.23 H new ATOM 0 HG11 VAL A 47 18.628 -13.332 -7.904 1.00 1.45 H new ATOM 0 HG12 VAL A 47 18.555 -12.475 -6.346 1.00 1.45 H new ATOM 0 HG13 VAL A 47 17.561 -11.921 -7.714 1.00 1.45 H new ATOM 0 HG21 VAL A 47 19.760 -12.302 -9.843 1.00 5.12 H new ATOM 0 HG22 VAL A 47 18.740 -10.848 -9.732 1.00 5.12 H new ATOM 0 HG23 VAL A 47 20.512 -10.696 -9.697 1.00 5.12 H new ATOM 716 N MET A 48 20.614 -10.534 -5.114 1.00 63.11 N ATOM 717 CA MET A 48 20.702 -10.723 -3.671 1.00 11.33 C ATOM 718 C MET A 48 20.344 -9.437 -2.932 1.00 31.12 C ATOM 719 O MET A 48 19.586 -9.458 -1.963 1.00 13.22 O ATOM 720 CB MET A 48 22.110 -11.175 -3.278 1.00 73.05 C ATOM 721 CG MET A 48 22.576 -12.419 -4.017 1.00 62.01 C ATOM 722 SD MET A 48 22.582 -13.887 -2.970 1.00 63.02 S ATOM 723 CE MET A 48 21.885 -15.102 -4.086 1.00 51.14 C ATOM 0 H MET A 48 21.496 -10.658 -5.610 1.00 63.11 H new ATOM 0 HA MET A 48 19.988 -11.496 -3.387 1.00 11.33 H new ATOM 0 HB2 MET A 48 22.811 -10.363 -3.472 1.00 73.05 H new ATOM 0 HB3 MET A 48 22.135 -11.368 -2.206 1.00 73.05 H new ATOM 0 HG2 MET A 48 21.926 -12.592 -4.875 1.00 62.01 H new ATOM 0 HG3 MET A 48 23.580 -12.251 -4.406 1.00 62.01 H new ATOM 0 HE1 MET A 48 21.824 -16.066 -3.582 1.00 51.14 H new ATOM 0 HE2 MET A 48 20.886 -14.787 -4.389 1.00 51.14 H new ATOM 0 HE3 MET A 48 22.520 -15.193 -4.967 1.00 51.14 H new ATOM 733 N ALA A 49 20.895 -8.320 -3.396 1.00 33.12 N ATOM 734 CA ALA A 49 20.632 -7.026 -2.780 1.00 12.43 C ATOM 735 C ALA A 49 19.138 -6.718 -2.765 1.00 3.11 C ATOM 736 O ALA A 49 18.648 -6.012 -1.882 1.00 61.23 O ATOM 737 CB ALA A 49 21.391 -5.929 -3.511 1.00 43.14 C ATOM 0 H ALA A 49 21.526 -8.286 -4.196 1.00 33.12 H new ATOM 0 HA ALA A 49 20.979 -7.066 -1.747 1.00 12.43 H new ATOM 0 HB1 ALA A 49 21.185 -4.968 -3.040 1.00 43.14 H new ATOM 0 HB2 ALA A 49 22.461 -6.134 -3.465 1.00 43.14 H new ATOM 0 HB3 ALA A 49 21.072 -5.898 -4.553 1.00 43.14 H new ATOM 743 N LEU A 50 18.420 -7.250 -3.747 1.00 34.50 N ATOM 744 CA LEU A 50 16.981 -7.032 -3.847 1.00 73.13 C ATOM 745 C LEU A 50 16.229 -7.873 -2.820 1.00 64.44 C ATOM 746 O LEU A 50 15.461 -7.347 -2.016 1.00 62.11 O ATOM 747 CB LEU A 50 16.491 -7.370 -5.257 1.00 12.45 C ATOM 748 CG LEU A 50 16.906 -6.398 -6.362 1.00 61.20 C ATOM 749 CD1 LEU A 50 16.446 -6.906 -7.720 1.00 15.05 C ATOM 750 CD2 LEU A 50 16.344 -5.010 -6.091 1.00 64.11 C ATOM 0 H LEU A 50 18.810 -7.835 -4.486 1.00 34.50 H new ATOM 0 HA LEU A 50 16.783 -5.980 -3.642 1.00 73.13 H new ATOM 0 HB2 LEU A 50 16.856 -8.363 -5.518 1.00 12.45 H new ATOM 0 HB3 LEU A 50 15.403 -7.425 -5.239 1.00 12.45 H new ATOM 0 HG LEU A 50 17.994 -6.332 -6.371 1.00 61.20 H new ATOM 0 HD11 LEU A 50 16.750 -6.201 -8.494 1.00 15.05 H new ATOM 0 HD12 LEU A 50 16.897 -7.878 -7.917 1.00 15.05 H new ATOM 0 HD13 LEU A 50 15.360 -7.003 -7.724 1.00 15.05 H new ATOM 0 HD21 LEU A 50 16.650 -4.332 -6.888 1.00 64.11 H new ATOM 0 HD22 LEU A 50 15.256 -5.059 -6.054 1.00 64.11 H new ATOM 0 HD23 LEU A 50 16.724 -4.644 -5.137 1.00 64.11 H new ATOM 762 N GLU A 51 16.459 -9.182 -2.853 1.00 72.43 N ATOM 763 CA GLU A 51 15.804 -10.096 -1.924 1.00 1.40 C ATOM 764 C GLU A 51 16.186 -9.771 -0.483 1.00 15.15 C ATOM 765 O GLU A 51 15.517 -10.199 0.458 1.00 65.01 O ATOM 766 CB GLU A 51 16.178 -11.543 -2.248 1.00 61.53 C ATOM 767 CG GLU A 51 17.676 -11.796 -2.263 1.00 63.43 C ATOM 768 CD GLU A 51 18.035 -13.140 -2.868 1.00 41.33 C ATOM 769 OE1 GLU A 51 17.624 -13.401 -4.018 1.00 53.44 O ATOM 770 OE2 GLU A 51 18.727 -13.930 -2.192 1.00 54.25 O ATOM 0 H GLU A 51 17.093 -9.633 -3.512 1.00 72.43 H new ATOM 0 HA GLU A 51 14.726 -9.974 -2.033 1.00 1.40 H new ATOM 0 HB2 GLU A 51 15.714 -12.202 -1.514 1.00 61.53 H new ATOM 0 HB3 GLU A 51 15.764 -11.807 -3.221 1.00 61.53 H new ATOM 0 HG2 GLU A 51 18.169 -11.004 -2.828 1.00 63.43 H new ATOM 0 HG3 GLU A 51 18.059 -11.747 -1.244 1.00 63.43 H new ATOM 777 N GLU A 52 17.265 -9.012 -0.319 1.00 14.13 N ATOM 778 CA GLU A 52 17.736 -8.631 1.008 1.00 74.32 C ATOM 779 C GLU A 52 17.199 -7.258 1.403 1.00 73.54 C ATOM 780 O GLU A 52 16.539 -7.111 2.431 1.00 63.40 O ATOM 781 CB GLU A 52 19.265 -8.623 1.047 1.00 22.43 C ATOM 782 CG GLU A 52 19.838 -8.661 2.454 1.00 31.12 C ATOM 783 CD GLU A 52 19.855 -7.296 3.114 1.00 44.33 C ATOM 784 OE1 GLU A 52 20.152 -6.304 2.415 1.00 4.00 O ATOM 785 OE2 GLU A 52 19.573 -7.219 4.327 1.00 14.24 O ATOM 0 H GLU A 52 17.829 -8.649 -1.087 1.00 14.13 H new ATOM 0 HA GLU A 52 17.365 -9.366 1.722 1.00 74.32 H new ATOM 0 HB2 GLU A 52 19.639 -9.481 0.488 1.00 22.43 H new ATOM 0 HB3 GLU A 52 19.628 -7.729 0.540 1.00 22.43 H new ATOM 0 HG2 GLU A 52 19.250 -9.348 3.063 1.00 31.12 H new ATOM 0 HG3 GLU A 52 20.853 -9.056 2.418 1.00 31.12 H new ATOM 792 N GLU A 53 17.487 -6.257 0.577 1.00 2.13 N ATOM 793 CA GLU A 53 17.035 -4.896 0.841 1.00 34.12 C ATOM 794 C GLU A 53 15.515 -4.799 0.740 1.00 41.20 C ATOM 795 O GLU A 53 14.846 -4.367 1.679 1.00 54.35 O ATOM 796 CB GLU A 53 17.686 -3.919 -0.140 1.00 73.10 C ATOM 797 CG GLU A 53 17.394 -2.460 0.170 1.00 71.54 C ATOM 798 CD GLU A 53 18.303 -1.900 1.246 1.00 13.51 C ATOM 799 OE1 GLU A 53 19.468 -1.579 0.930 1.00 31.33 O ATOM 800 OE2 GLU A 53 17.849 -1.781 2.404 1.00 45.15 O ATOM 0 H GLU A 53 18.031 -6.363 -0.280 1.00 2.13 H new ATOM 0 HA GLU A 53 17.332 -4.632 1.856 1.00 34.12 H new ATOM 0 HB2 GLU A 53 18.765 -4.074 -0.132 1.00 73.10 H new ATOM 0 HB3 GLU A 53 17.339 -4.144 -1.148 1.00 73.10 H new ATOM 0 HG2 GLU A 53 17.507 -1.870 -0.739 1.00 71.54 H new ATOM 0 HG3 GLU A 53 16.356 -2.361 0.488 1.00 71.54 H new ATOM 807 N PHE A 54 14.977 -5.203 -0.406 1.00 23.41 N ATOM 808 CA PHE A 54 13.537 -5.161 -0.632 1.00 3.23 C ATOM 809 C PHE A 54 12.846 -6.344 0.039 1.00 23.41 C ATOM 810 O PHE A 54 11.622 -6.467 -0.002 1.00 60.11 O ATOM 811 CB PHE A 54 13.234 -5.162 -2.131 1.00 65.15 C ATOM 812 CG PHE A 54 13.293 -3.797 -2.756 1.00 34.30 C ATOM 813 CD1 PHE A 54 12.233 -2.914 -2.623 1.00 20.41 C ATOM 814 CD2 PHE A 54 14.407 -3.397 -3.475 1.00 70.05 C ATOM 815 CE1 PHE A 54 12.284 -1.658 -3.197 1.00 72.43 C ATOM 816 CE2 PHE A 54 14.464 -2.142 -4.052 1.00 14.12 C ATOM 817 CZ PHE A 54 13.401 -1.271 -3.911 1.00 72.25 C ATOM 0 H PHE A 54 15.517 -5.563 -1.193 1.00 23.41 H new ATOM 0 HA PHE A 54 13.153 -4.241 -0.192 1.00 3.23 H new ATOM 0 HB2 PHE A 54 13.945 -5.815 -2.637 1.00 65.15 H new ATOM 0 HB3 PHE A 54 12.242 -5.584 -2.293 1.00 65.15 H new ATOM 0 HD1 PHE A 54 11.358 -3.211 -2.065 1.00 20.41 H new ATOM 0 HD2 PHE A 54 15.241 -4.074 -3.586 1.00 70.05 H new ATOM 0 HE1 PHE A 54 11.451 -0.980 -3.087 1.00 72.43 H new ATOM 0 HE2 PHE A 54 15.338 -1.843 -4.612 1.00 14.12 H new ATOM 0 HZ PHE A 54 13.443 -0.289 -4.358 1.00 72.25 H new ATOM 827 N ASP A 55 13.640 -7.213 0.656 1.00 61.13 N ATOM 828 CA ASP A 55 13.106 -8.387 1.336 1.00 22.21 C ATOM 829 C ASP A 55 12.182 -9.176 0.414 1.00 31.30 C ATOM 830 O ASP A 55 11.140 -9.676 0.840 1.00 22.22 O ATOM 831 CB ASP A 55 12.352 -7.972 2.600 1.00 3.43 C ATOM 832 CG ASP A 55 13.218 -7.173 3.555 1.00 64.42 C ATOM 833 OD1 ASP A 55 14.232 -7.722 4.036 1.00 53.02 O ATOM 834 OD2 ASP A 55 12.883 -6.000 3.822 1.00 75.33 O ATOM 0 H ASP A 55 14.655 -7.126 0.699 1.00 61.13 H new ATOM 0 HA ASP A 55 13.943 -9.026 1.615 1.00 22.21 H new ATOM 0 HB2 ASP A 55 11.481 -7.379 2.322 1.00 3.43 H new ATOM 0 HB3 ASP A 55 11.982 -8.863 3.108 1.00 3.43 H new ATOM 839 N THR A 56 12.569 -9.284 -0.853 1.00 43.42 N ATOM 840 CA THR A 56 11.775 -10.009 -1.836 1.00 60.43 C ATOM 841 C THR A 56 12.277 -11.439 -2.001 1.00 33.41 C ATOM 842 O THR A 56 13.372 -11.777 -1.554 1.00 64.24 O ATOM 843 CB THR A 56 11.800 -9.308 -3.207 1.00 51.33 C ATOM 844 OG1 THR A 56 13.153 -9.084 -3.619 1.00 2.14 O ATOM 845 CG2 THR A 56 11.056 -7.982 -3.150 1.00 41.03 C ATOM 0 H THR A 56 13.429 -8.878 -1.222 1.00 43.42 H new ATOM 0 HA THR A 56 10.751 -10.026 -1.464 1.00 60.43 H new ATOM 0 HB THR A 56 11.303 -9.955 -3.930 1.00 51.33 H new ATOM 0 HG1 THR A 56 13.160 -8.639 -4.492 1.00 2.14 H new ATOM 0 HG21 THR A 56 11.087 -7.505 -4.130 1.00 41.03 H new ATOM 0 HG22 THR A 56 10.019 -8.159 -2.865 1.00 41.03 H new ATOM 0 HG23 THR A 56 11.528 -7.331 -2.414 1.00 41.03 H new ATOM 853 N GLU A 57 11.468 -12.275 -2.645 1.00 71.02 N ATOM 854 CA GLU A 57 11.832 -13.669 -2.868 1.00 74.40 C ATOM 855 C GLU A 57 12.279 -13.891 -4.310 1.00 73.31 C ATOM 856 O GLU A 57 11.484 -14.288 -5.163 1.00 62.11 O ATOM 857 CB GLU A 57 10.651 -14.586 -2.542 1.00 15.01 C ATOM 858 CG GLU A 57 10.575 -14.984 -1.078 1.00 24.35 C ATOM 859 CD GLU A 57 9.243 -15.609 -0.710 1.00 42.34 C ATOM 860 OE1 GLU A 57 8.237 -14.871 -0.653 1.00 63.23 O ATOM 861 OE2 GLU A 57 9.207 -16.836 -0.480 1.00 43.24 O ATOM 0 H GLU A 57 10.557 -12.011 -3.021 1.00 71.02 H new ATOM 0 HA GLU A 57 12.664 -13.911 -2.207 1.00 74.40 H new ATOM 0 HB2 GLU A 57 9.725 -14.085 -2.822 1.00 15.01 H new ATOM 0 HB3 GLU A 57 10.722 -15.487 -3.151 1.00 15.01 H new ATOM 0 HG2 GLU A 57 11.376 -15.689 -0.855 1.00 24.35 H new ATOM 0 HG3 GLU A 57 10.743 -14.104 -0.457 1.00 24.35 H new ATOM 868 N ILE A 58 13.555 -13.632 -4.574 1.00 52.11 N ATOM 869 CA ILE A 58 14.108 -13.804 -5.912 1.00 12.42 C ATOM 870 C ILE A 58 15.095 -14.965 -5.954 1.00 30.14 C ATOM 871 O ILE A 58 16.312 -14.779 -5.924 1.00 33.51 O ATOM 872 CB ILE A 58 14.816 -12.525 -6.396 1.00 41.25 C ATOM 873 CG1 ILE A 58 13.854 -11.336 -6.356 1.00 12.02 C ATOM 874 CG2 ILE A 58 15.363 -12.723 -7.802 1.00 51.33 C ATOM 875 CD1 ILE A 58 12.602 -11.543 -7.180 1.00 23.11 C ATOM 0 H ILE A 58 14.225 -13.302 -3.879 1.00 52.11 H new ATOM 0 HA ILE A 58 13.270 -14.019 -6.575 1.00 12.42 H new ATOM 0 HB ILE A 58 15.651 -12.315 -5.728 1.00 41.25 H new ATOM 0 HG12 ILE A 58 13.570 -11.143 -5.321 1.00 12.02 H new ATOM 0 HG13 ILE A 58 14.373 -10.447 -6.715 1.00 12.02 H new ATOM 0 HG21 ILE A 58 15.861 -11.811 -8.131 1.00 51.33 H new ATOM 0 HG22 ILE A 58 16.077 -13.546 -7.802 1.00 51.33 H new ATOM 0 HG23 ILE A 58 14.543 -12.954 -8.482 1.00 51.33 H new ATOM 0 HD11 ILE A 58 11.967 -10.660 -7.105 1.00 23.11 H new ATOM 0 HD12 ILE A 58 12.875 -11.706 -8.223 1.00 23.11 H new ATOM 0 HD13 ILE A 58 12.061 -12.412 -6.807 1.00 23.11 H new ATOM 887 N PRO A 59 14.561 -16.193 -6.026 1.00 72.30 N ATOM 888 CA PRO A 59 15.377 -17.410 -6.076 1.00 41.22 C ATOM 889 C PRO A 59 16.126 -17.551 -7.397 1.00 23.22 C ATOM 890 O PRO A 59 16.156 -16.624 -8.207 1.00 20.52 O ATOM 891 CB PRO A 59 14.349 -18.533 -5.922 1.00 21.43 C ATOM 892 CG PRO A 59 13.072 -17.950 -6.419 1.00 41.54 C ATOM 893 CD PRO A 59 13.119 -16.489 -6.065 1.00 52.11 C ATOM 0 HA PRO A 59 16.151 -17.414 -5.308 1.00 41.22 H new ATOM 0 HB2 PRO A 59 14.634 -19.412 -6.500 1.00 21.43 H new ATOM 0 HB3 PRO A 59 14.261 -18.849 -4.883 1.00 21.43 H new ATOM 0 HG2 PRO A 59 12.973 -18.088 -7.496 1.00 41.54 H new ATOM 0 HG3 PRO A 59 12.214 -18.437 -5.955 1.00 41.54 H new ATOM 0 HD2 PRO A 59 12.604 -15.879 -6.807 1.00 52.11 H new ATOM 0 HD3 PRO A 59 12.642 -16.293 -5.105 1.00 52.11 H new ATOM 901 N ASP A 60 16.730 -18.716 -7.608 1.00 14.25 N ATOM 902 CA ASP A 60 17.478 -18.979 -8.831 1.00 51.23 C ATOM 903 C ASP A 60 16.613 -18.726 -10.062 1.00 72.11 C ATOM 904 O ASP A 60 17.055 -18.101 -11.025 1.00 64.12 O ATOM 905 CB ASP A 60 17.991 -20.419 -8.841 1.00 25.53 C ATOM 906 CG ASP A 60 18.840 -20.739 -7.626 1.00 22.41 C ATOM 907 OD1 ASP A 60 19.916 -20.123 -7.474 1.00 61.33 O ATOM 908 OD2 ASP A 60 18.428 -21.605 -6.826 1.00 61.32 O ATOM 0 H ASP A 60 16.716 -19.493 -6.947 1.00 14.25 H new ATOM 0 HA ASP A 60 18.329 -18.298 -8.860 1.00 51.23 H new ATOM 0 HB2 ASP A 60 17.144 -21.103 -8.879 1.00 25.53 H new ATOM 0 HB3 ASP A 60 18.577 -20.587 -9.745 1.00 25.53 H new ATOM 913 N GLU A 61 15.378 -19.217 -10.023 1.00 21.35 N ATOM 914 CA GLU A 61 14.452 -19.046 -11.136 1.00 44.20 C ATOM 915 C GLU A 61 14.263 -17.567 -11.463 1.00 62.45 C ATOM 916 O GLU A 61 14.618 -17.112 -12.550 1.00 75.13 O ATOM 917 CB GLU A 61 13.101 -19.684 -10.808 1.00 11.34 C ATOM 918 CG GLU A 61 13.062 -21.184 -11.047 1.00 55.42 C ATOM 919 CD GLU A 61 14.056 -21.938 -10.186 1.00 60.25 C ATOM 920 OE1 GLU A 61 13.933 -21.875 -8.945 1.00 72.52 O ATOM 921 OE2 GLU A 61 14.957 -22.591 -10.753 1.00 41.34 O ATOM 0 H GLU A 61 14.996 -19.736 -9.233 1.00 21.35 H new ATOM 0 HA GLU A 61 14.877 -19.542 -12.008 1.00 44.20 H new ATOM 0 HB2 GLU A 61 12.858 -19.485 -9.764 1.00 11.34 H new ATOM 0 HB3 GLU A 61 12.328 -19.208 -11.411 1.00 11.34 H new ATOM 0 HG2 GLU A 61 12.057 -21.554 -10.844 1.00 55.42 H new ATOM 0 HG3 GLU A 61 13.270 -21.386 -12.098 1.00 55.42 H new ATOM 928 N GLU A 62 13.702 -16.824 -10.515 1.00 34.31 N ATOM 929 CA GLU A 62 13.464 -15.398 -10.703 1.00 50.03 C ATOM 930 C GLU A 62 14.776 -14.653 -10.933 1.00 21.53 C ATOM 931 O GLU A 62 14.785 -13.530 -11.434 1.00 12.52 O ATOM 932 CB GLU A 62 12.739 -14.814 -9.489 1.00 23.34 C ATOM 933 CG GLU A 62 11.265 -15.176 -9.427 1.00 71.44 C ATOM 934 CD GLU A 62 11.036 -16.667 -9.272 1.00 24.33 C ATOM 935 OE1 GLU A 62 11.018 -17.376 -10.300 1.00 12.23 O ATOM 936 OE2 GLU A 62 10.876 -17.125 -8.121 1.00 23.32 O ATOM 0 H GLU A 62 13.404 -17.186 -9.609 1.00 34.31 H new ATOM 0 HA GLU A 62 12.836 -15.274 -11.585 1.00 50.03 H new ATOM 0 HB2 GLU A 62 13.229 -15.165 -8.581 1.00 23.34 H new ATOM 0 HB3 GLU A 62 12.837 -13.729 -9.505 1.00 23.34 H new ATOM 0 HG2 GLU A 62 10.801 -14.652 -8.591 1.00 71.44 H new ATOM 0 HG3 GLU A 62 10.771 -14.829 -10.335 1.00 71.44 H new ATOM 943 N ALA A 63 15.883 -15.289 -10.562 1.00 12.13 N ATOM 944 CA ALA A 63 17.201 -14.688 -10.728 1.00 34.51 C ATOM 945 C ALA A 63 17.675 -14.796 -12.173 1.00 74.32 C ATOM 946 O ALA A 63 18.399 -13.931 -12.664 1.00 71.00 O ATOM 947 CB ALA A 63 18.203 -15.347 -9.791 1.00 74.12 C ATOM 0 H ALA A 63 15.893 -16.220 -10.145 1.00 12.13 H new ATOM 0 HA ALA A 63 17.126 -13.630 -10.476 1.00 34.51 H new ATOM 0 HB1 ALA A 63 19.183 -14.889 -9.925 1.00 74.12 H new ATOM 0 HB2 ALA A 63 17.878 -15.213 -8.759 1.00 74.12 H new ATOM 0 HB3 ALA A 63 18.266 -16.412 -10.017 1.00 74.12 H new ATOM 953 N GLU A 64 17.262 -15.864 -12.849 1.00 34.23 N ATOM 954 CA GLU A 64 17.646 -16.085 -14.238 1.00 4.52 C ATOM 955 C GLU A 64 16.869 -15.160 -15.171 1.00 21.42 C ATOM 956 O GLU A 64 17.374 -14.743 -16.213 1.00 63.43 O ATOM 957 CB GLU A 64 17.407 -17.544 -14.631 1.00 52.43 C ATOM 958 CG GLU A 64 18.471 -18.496 -14.113 1.00 72.41 C ATOM 959 CD GLU A 64 18.035 -19.947 -14.175 1.00 71.43 C ATOM 960 OE1 GLU A 64 17.758 -20.436 -15.291 1.00 54.40 O ATOM 961 OE2 GLU A 64 17.971 -20.595 -13.109 1.00 53.54 O ATOM 0 H GLU A 64 16.662 -16.589 -12.457 1.00 34.23 H new ATOM 0 HA GLU A 64 18.708 -15.861 -14.335 1.00 4.52 H new ATOM 0 HB2 GLU A 64 16.435 -17.859 -14.252 1.00 52.43 H new ATOM 0 HB3 GLU A 64 17.365 -17.616 -15.718 1.00 52.43 H new ATOM 0 HG2 GLU A 64 19.382 -18.369 -14.697 1.00 72.41 H new ATOM 0 HG3 GLU A 64 18.714 -18.237 -13.082 1.00 72.41 H new ATOM 968 N LYS A 65 15.636 -14.844 -14.789 1.00 23.52 N ATOM 969 CA LYS A 65 14.787 -13.970 -15.589 1.00 5.42 C ATOM 970 C LYS A 65 15.105 -12.503 -15.313 1.00 73.24 C ATOM 971 O LYS A 65 14.989 -11.657 -16.200 1.00 13.51 O ATOM 972 CB LYS A 65 13.312 -14.247 -15.294 1.00 32.34 C ATOM 973 CG LYS A 65 12.825 -13.631 -13.993 1.00 41.05 C ATOM 974 CD LYS A 65 11.355 -13.928 -13.752 1.00 14.22 C ATOM 975 CE LYS A 65 10.459 -12.956 -14.505 1.00 72.41 C ATOM 976 NZ LYS A 65 9.125 -12.816 -13.858 1.00 30.01 N ATOM 0 H LYS A 65 15.202 -15.181 -13.929 1.00 23.52 H new ATOM 0 HA LYS A 65 14.985 -14.176 -16.641 1.00 5.42 H new ATOM 0 HB2 LYS A 65 12.708 -13.864 -16.116 1.00 32.34 H new ATOM 0 HB3 LYS A 65 13.154 -15.325 -15.257 1.00 32.34 H new ATOM 0 HG2 LYS A 65 13.416 -14.017 -13.163 1.00 41.05 H new ATOM 0 HG3 LYS A 65 12.980 -12.552 -14.020 1.00 41.05 H new ATOM 0 HD2 LYS A 65 11.132 -14.948 -14.066 1.00 14.22 H new ATOM 0 HD3 LYS A 65 11.141 -13.870 -12.685 1.00 14.22 H new ATOM 0 HE2 LYS A 65 10.943 -11.980 -14.555 1.00 72.41 H new ATOM 0 HE3 LYS A 65 10.331 -13.301 -15.531 1.00 72.41 H new ATOM 0 HZ1 LYS A 65 8.544 -12.145 -14.401 1.00 30.01 H new ATOM 0 HZ2 LYS A 65 8.652 -13.742 -13.833 1.00 30.01 H new ATOM 0 HZ3 LYS A 65 9.245 -12.463 -12.887 1.00 30.01 H new ATOM 990 N ILE A 66 15.506 -12.211 -14.081 1.00 2.10 N ATOM 991 CA ILE A 66 15.842 -10.847 -13.691 1.00 25.20 C ATOM 992 C ILE A 66 17.333 -10.577 -13.867 1.00 12.20 C ATOM 993 O ILE A 66 18.108 -10.659 -12.913 1.00 74.12 O ATOM 994 CB ILE A 66 15.451 -10.567 -12.228 1.00 74.21 C ATOM 995 CG1 ILE A 66 13.946 -10.766 -12.033 1.00 40.44 C ATOM 996 CG2 ILE A 66 15.860 -9.157 -11.831 1.00 2.03 C ATOM 997 CD1 ILE A 66 13.101 -9.776 -12.805 1.00 2.24 C ATOM 0 H ILE A 66 15.606 -12.900 -13.336 1.00 2.10 H new ATOM 0 HA ILE A 66 15.275 -10.183 -14.344 1.00 25.20 H new ATOM 0 HB ILE A 66 15.978 -11.272 -11.585 1.00 74.21 H new ATOM 0 HG12 ILE A 66 13.678 -11.777 -12.340 1.00 40.44 H new ATOM 0 HG13 ILE A 66 13.711 -10.682 -10.972 1.00 40.44 H new ATOM 0 HG21 ILE A 66 15.577 -8.974 -10.794 1.00 2.03 H new ATOM 0 HG22 ILE A 66 16.939 -9.048 -11.937 1.00 2.03 H new ATOM 0 HG23 ILE A 66 15.357 -8.437 -12.477 1.00 2.03 H new ATOM 0 HD11 ILE A 66 12.046 -9.976 -12.620 1.00 2.24 H new ATOM 0 HD12 ILE A 66 13.340 -8.763 -12.481 1.00 2.24 H new ATOM 0 HD13 ILE A 66 13.307 -9.875 -13.871 1.00 2.24 H new ATOM 1009 N THR A 67 17.729 -10.251 -15.094 1.00 20.54 N ATOM 1010 CA THR A 67 19.126 -9.968 -15.395 1.00 43.25 C ATOM 1011 C THR A 67 19.281 -8.600 -16.050 1.00 54.13 C ATOM 1012 O THR A 67 20.278 -8.329 -16.721 1.00 35.22 O ATOM 1013 CB THR A 67 19.729 -11.039 -16.323 1.00 64.42 C ATOM 1014 OG1 THR A 67 21.121 -10.778 -16.534 1.00 43.30 O ATOM 1015 CG2 THR A 67 19.005 -11.067 -17.661 1.00 1.13 C ATOM 0 H THR A 67 17.101 -10.177 -15.895 1.00 20.54 H new ATOM 0 HA THR A 67 19.662 -9.977 -14.446 1.00 43.25 H new ATOM 0 HB THR A 67 19.611 -12.011 -15.843 1.00 64.42 H new ATOM 0 HG1 THR A 67 21.257 -9.817 -16.669 1.00 43.30 H new ATOM 0 HG21 THR A 67 19.449 -11.831 -18.299 1.00 1.13 H new ATOM 0 HG22 THR A 67 17.952 -11.296 -17.500 1.00 1.13 H new ATOM 0 HG23 THR A 67 19.095 -10.094 -18.144 1.00 1.13 H new ATOM 1023 N THR A 68 18.288 -7.738 -15.852 1.00 33.33 N ATOM 1024 CA THR A 68 18.313 -6.398 -16.423 1.00 41.13 C ATOM 1025 C THR A 68 17.605 -5.399 -15.515 1.00 23.33 C ATOM 1026 O THR A 68 16.721 -5.767 -14.741 1.00 5.14 O ATOM 1027 CB THR A 68 17.652 -6.368 -17.814 1.00 53.31 C ATOM 1028 OG1 THR A 68 16.242 -6.588 -17.691 1.00 61.11 O ATOM 1029 CG2 THR A 68 18.258 -7.425 -18.725 1.00 11.24 C ATOM 0 H THR A 68 17.456 -7.945 -15.300 1.00 33.33 H new ATOM 0 HA THR A 68 19.361 -6.116 -16.520 1.00 41.13 H new ATOM 0 HB THR A 68 17.829 -5.387 -18.255 1.00 53.31 H new ATOM 0 HG1 THR A 68 15.986 -7.371 -18.221 1.00 61.11 H new ATOM 0 HG21 THR A 68 17.775 -7.384 -19.701 1.00 11.24 H new ATOM 0 HG22 THR A 68 19.326 -7.237 -18.840 1.00 11.24 H new ATOM 0 HG23 THR A 68 18.108 -8.412 -18.287 1.00 11.24 H new ATOM 1037 N VAL A 69 17.999 -4.133 -15.614 1.00 73.43 N ATOM 1038 CA VAL A 69 17.400 -3.081 -14.802 1.00 42.33 C ATOM 1039 C VAL A 69 15.880 -3.102 -14.909 1.00 54.31 C ATOM 1040 O VAL A 69 15.181 -3.283 -13.913 1.00 33.14 O ATOM 1041 CB VAL A 69 17.914 -1.690 -15.219 1.00 50.21 C ATOM 1042 CG1 VAL A 69 17.252 -0.604 -14.385 1.00 2.23 C ATOM 1043 CG2 VAL A 69 19.428 -1.622 -15.093 1.00 44.12 C ATOM 0 H VAL A 69 18.730 -3.812 -16.248 1.00 73.43 H new ATOM 0 HA VAL A 69 17.691 -3.274 -13.769 1.00 42.33 H new ATOM 0 HB VAL A 69 17.652 -1.523 -16.264 1.00 50.21 H new ATOM 0 HG11 VAL A 69 17.627 0.372 -14.694 1.00 2.23 H new ATOM 0 HG12 VAL A 69 16.172 -0.640 -14.531 1.00 2.23 H new ATOM 0 HG13 VAL A 69 17.481 -0.764 -13.331 1.00 2.23 H new ATOM 0 HG21 VAL A 69 19.774 -0.632 -15.392 1.00 44.12 H new ATOM 0 HG22 VAL A 69 19.716 -1.810 -14.059 1.00 44.12 H new ATOM 0 HG23 VAL A 69 19.881 -2.375 -15.738 1.00 44.12 H new ATOM 1053 N GLN A 70 15.375 -2.916 -16.124 1.00 54.53 N ATOM 1054 CA GLN A 70 13.936 -2.913 -16.361 1.00 32.00 C ATOM 1055 C GLN A 70 13.283 -4.153 -15.760 1.00 21.42 C ATOM 1056 O GLN A 70 12.198 -4.078 -15.184 1.00 71.53 O ATOM 1057 CB GLN A 70 13.645 -2.845 -17.861 1.00 75.31 C ATOM 1058 CG GLN A 70 12.161 -2.817 -18.192 1.00 41.31 C ATOM 1059 CD GLN A 70 11.545 -1.445 -17.995 1.00 65.44 C ATOM 1060 OE1 GLN A 70 11.257 -0.737 -18.961 1.00 24.33 O ATOM 1061 NE2 GLN A 70 11.340 -1.063 -16.741 1.00 0.15 N ATOM 0 H GLN A 70 15.941 -2.765 -16.959 1.00 54.53 H new ATOM 0 HA GLN A 70 13.515 -2.032 -15.876 1.00 32.00 H new ATOM 0 HB2 GLN A 70 14.118 -1.954 -18.274 1.00 75.31 H new ATOM 0 HB3 GLN A 70 14.102 -3.705 -18.351 1.00 75.31 H new ATOM 0 HG2 GLN A 70 12.017 -3.131 -19.226 1.00 41.31 H new ATOM 0 HG3 GLN A 70 11.639 -3.539 -17.564 1.00 41.31 H new ATOM 0 HE21 GLN A 70 11.594 -1.682 -15.971 1.00 0.15 H new ATOM 0 HE22 GLN A 70 10.928 -0.150 -16.547 1.00 0.15 H new ATOM 1070 N ALA A 71 13.952 -5.294 -15.898 1.00 12.43 N ATOM 1071 CA ALA A 71 13.437 -6.550 -15.367 1.00 4.13 C ATOM 1072 C ALA A 71 13.345 -6.506 -13.845 1.00 54.23 C ATOM 1073 O ALA A 71 12.322 -6.869 -13.266 1.00 14.13 O ATOM 1074 CB ALA A 71 14.317 -7.710 -15.810 1.00 55.34 C ATOM 0 H ALA A 71 14.851 -5.374 -16.373 1.00 12.43 H new ATOM 0 HA ALA A 71 12.432 -6.698 -15.762 1.00 4.13 H new ATOM 0 HB1 ALA A 71 13.921 -8.642 -15.406 1.00 55.34 H new ATOM 0 HB2 ALA A 71 14.329 -7.762 -16.899 1.00 55.34 H new ATOM 0 HB3 ALA A 71 15.332 -7.558 -15.443 1.00 55.34 H new ATOM 1080 N ALA A 72 14.420 -6.059 -13.204 1.00 72.42 N ATOM 1081 CA ALA A 72 14.459 -5.967 -11.750 1.00 54.10 C ATOM 1082 C ALA A 72 13.431 -4.964 -11.236 1.00 62.11 C ATOM 1083 O ALA A 72 12.576 -5.302 -10.417 1.00 72.24 O ATOM 1084 CB ALA A 72 15.854 -5.582 -11.283 1.00 5.22 C ATOM 0 H ALA A 72 15.275 -5.755 -13.669 1.00 72.42 H new ATOM 0 HA ALA A 72 14.209 -6.946 -11.342 1.00 54.10 H new ATOM 0 HB1 ALA A 72 15.868 -5.517 -10.195 1.00 5.22 H new ATOM 0 HB2 ALA A 72 16.569 -6.337 -11.611 1.00 5.22 H new ATOM 0 HB3 ALA A 72 16.126 -4.616 -11.708 1.00 5.22 H new ATOM 1090 N ILE A 73 13.522 -3.730 -11.721 1.00 32.30 N ATOM 1091 CA ILE A 73 12.599 -2.679 -11.310 1.00 64.13 C ATOM 1092 C ILE A 73 11.151 -3.104 -11.526 1.00 13.23 C ATOM 1093 O ILE A 73 10.261 -2.719 -10.767 1.00 52.31 O ATOM 1094 CB ILE A 73 12.859 -1.370 -12.080 1.00 34.43 C ATOM 1095 CG1 ILE A 73 12.055 -0.223 -11.464 1.00 75.41 C ATOM 1096 CG2 ILE A 73 12.507 -1.542 -13.550 1.00 11.31 C ATOM 1097 CD1 ILE A 73 12.688 0.360 -10.221 1.00 25.34 C ATOM 0 H ILE A 73 14.225 -3.434 -12.398 1.00 32.30 H new ATOM 0 HA ILE A 73 12.769 -2.506 -10.247 1.00 64.13 H new ATOM 0 HB ILE A 73 13.919 -1.126 -12.007 1.00 34.43 H new ATOM 0 HG12 ILE A 73 11.937 0.567 -12.206 1.00 75.41 H new ATOM 0 HG13 ILE A 73 11.055 -0.582 -11.219 1.00 75.41 H new ATOM 0 HG21 ILE A 73 12.696 -0.609 -14.081 1.00 11.31 H new ATOM 0 HG22 ILE A 73 13.119 -2.335 -13.980 1.00 11.31 H new ATOM 0 HG23 ILE A 73 11.454 -1.806 -13.643 1.00 11.31 H new ATOM 0 HD11 ILE A 73 12.064 1.168 -9.839 1.00 25.34 H new ATOM 0 HD12 ILE A 73 12.781 -0.416 -9.462 1.00 25.34 H new ATOM 0 HD13 ILE A 73 13.676 0.750 -10.465 1.00 25.34 H new ATOM 1109 N ASP A 74 10.922 -3.901 -12.563 1.00 51.14 N ATOM 1110 CA ASP A 74 9.581 -4.381 -12.878 1.00 23.24 C ATOM 1111 C ASP A 74 9.098 -5.371 -11.822 1.00 75.14 C ATOM 1112 O ASP A 74 7.964 -5.286 -11.350 1.00 53.31 O ATOM 1113 CB ASP A 74 9.563 -5.039 -14.258 1.00 54.13 C ATOM 1114 CG ASP A 74 8.172 -5.481 -14.670 1.00 41.55 C ATOM 1115 OD1 ASP A 74 7.260 -4.627 -14.691 1.00 70.41 O ATOM 1116 OD2 ASP A 74 7.996 -6.679 -14.973 1.00 41.03 O ATOM 0 H ASP A 74 11.648 -4.229 -13.201 1.00 51.14 H new ATOM 0 HA ASP A 74 8.906 -3.525 -12.884 1.00 23.24 H new ATOM 0 HB2 ASP A 74 9.952 -4.338 -14.997 1.00 54.13 H new ATOM 0 HB3 ASP A 74 10.229 -5.902 -14.255 1.00 54.13 H new ATOM 1121 N TYR A 75 9.964 -6.310 -11.458 1.00 52.22 N ATOM 1122 CA TYR A 75 9.624 -7.318 -10.462 1.00 31.35 C ATOM 1123 C TYR A 75 9.265 -6.668 -9.129 1.00 31.01 C ATOM 1124 O TYR A 75 8.145 -6.809 -8.638 1.00 11.43 O ATOM 1125 CB TYR A 75 10.790 -8.290 -10.270 1.00 52.31 C ATOM 1126 CG TYR A 75 10.394 -9.587 -9.601 1.00 51.41 C ATOM 1127 CD1 TYR A 75 9.904 -9.600 -8.301 1.00 2.50 C ATOM 1128 CD2 TYR A 75 10.509 -10.799 -10.270 1.00 34.20 C ATOM 1129 CE1 TYR A 75 9.542 -10.782 -7.686 1.00 21.22 C ATOM 1130 CE2 TYR A 75 10.147 -11.987 -9.663 1.00 44.42 C ATOM 1131 CZ TYR A 75 9.665 -11.973 -8.371 1.00 3.00 C ATOM 1132 OH TYR A 75 9.304 -13.153 -7.762 1.00 63.12 O ATOM 0 H TYR A 75 10.907 -6.394 -11.838 1.00 52.22 H new ATOM 0 HA TYR A 75 8.756 -7.869 -10.823 1.00 31.35 H new ATOM 0 HB2 TYR A 75 11.231 -8.512 -11.242 1.00 52.31 H new ATOM 0 HB3 TYR A 75 11.562 -7.804 -9.673 1.00 52.31 H new ATOM 0 HD1 TYR A 75 9.805 -8.669 -7.762 1.00 2.50 H new ATOM 0 HD2 TYR A 75 10.888 -10.813 -11.281 1.00 34.20 H new ATOM 0 HE1 TYR A 75 9.165 -10.774 -6.674 1.00 21.22 H new ATOM 0 HE2 TYR A 75 10.241 -12.921 -10.197 1.00 44.42 H new ATOM 0 HH TYR A 75 8.709 -13.658 -8.354 1.00 63.12 H new ATOM 1142 N VAL A 76 10.225 -5.954 -8.549 1.00 33.54 N ATOM 1143 CA VAL A 76 10.011 -5.280 -7.274 1.00 22.03 C ATOM 1144 C VAL A 76 8.765 -4.403 -7.318 1.00 43.40 C ATOM 1145 O VAL A 76 7.907 -4.481 -6.440 1.00 61.12 O ATOM 1146 CB VAL A 76 11.224 -4.412 -6.888 1.00 53.12 C ATOM 1147 CG1 VAL A 76 10.994 -3.742 -5.542 1.00 43.42 C ATOM 1148 CG2 VAL A 76 12.493 -5.250 -6.866 1.00 41.12 C ATOM 0 H VAL A 76 11.158 -5.828 -8.942 1.00 33.54 H new ATOM 0 HA VAL A 76 9.877 -6.058 -6.523 1.00 22.03 H new ATOM 0 HB VAL A 76 11.345 -3.632 -7.639 1.00 53.12 H new ATOM 0 HG11 VAL A 76 11.861 -3.133 -5.286 1.00 43.42 H new ATOM 0 HG12 VAL A 76 10.109 -3.108 -5.598 1.00 43.42 H new ATOM 0 HG13 VAL A 76 10.847 -4.504 -4.777 1.00 43.42 H new ATOM 0 HG21 VAL A 76 13.340 -4.621 -6.592 1.00 41.12 H new ATOM 0 HG22 VAL A 76 12.386 -6.053 -6.137 1.00 41.12 H new ATOM 0 HG23 VAL A 76 12.664 -5.677 -7.854 1.00 41.12 H new ATOM 1158 N ASN A 77 8.673 -3.567 -8.347 1.00 41.24 N ATOM 1159 CA ASN A 77 7.531 -2.674 -8.507 1.00 4.53 C ATOM 1160 C ASN A 77 6.228 -3.463 -8.572 1.00 33.34 C ATOM 1161 O ASN A 77 5.184 -2.997 -8.116 1.00 12.43 O ATOM 1162 CB ASN A 77 7.692 -1.828 -9.772 1.00 12.45 C ATOM 1163 CG ASN A 77 6.613 -0.769 -9.900 1.00 25.04 C ATOM 1164 OD1 ASN A 77 5.470 -1.070 -10.240 1.00 75.44 O ATOM 1165 ND2 ASN A 77 6.975 0.479 -9.627 1.00 13.35 N ATOM 0 H ASN A 77 9.375 -3.489 -9.082 1.00 41.24 H new ATOM 0 HA ASN A 77 7.493 -2.015 -7.640 1.00 4.53 H new ATOM 0 HB2 ASN A 77 8.670 -1.347 -9.762 1.00 12.45 H new ATOM 0 HB3 ASN A 77 7.665 -2.478 -10.647 1.00 12.45 H new ATOM 0 HD21 ASN A 77 6.293 1.234 -9.696 1.00 13.35 H new ATOM 0 HD22 ASN A 77 7.935 0.682 -9.349 1.00 13.35 H new ATOM 1172 N SER A 78 6.296 -4.662 -9.141 1.00 23.52 N ATOM 1173 CA SER A 78 5.121 -5.516 -9.268 1.00 62.45 C ATOM 1174 C SER A 78 4.796 -6.195 -7.941 1.00 63.34 C ATOM 1175 O SER A 78 3.632 -6.448 -7.629 1.00 23.33 O ATOM 1176 CB SER A 78 5.347 -6.572 -10.353 1.00 21.15 C ATOM 1177 OG SER A 78 4.269 -7.490 -10.403 1.00 30.44 O ATOM 0 H SER A 78 7.153 -5.064 -9.522 1.00 23.52 H new ATOM 0 HA SER A 78 4.276 -4.889 -9.551 1.00 62.45 H new ATOM 0 HB2 SER A 78 5.459 -6.085 -11.322 1.00 21.15 H new ATOM 0 HB3 SER A 78 6.276 -7.107 -10.156 1.00 21.15 H new ATOM 0 HG SER A 78 4.436 -8.153 -11.105 1.00 30.44 H new ATOM 1183 N HIS A 79 5.834 -6.488 -7.164 1.00 30.11 N ATOM 1184 CA HIS A 79 5.660 -7.137 -5.869 1.00 63.45 C ATOM 1185 C HIS A 79 5.729 -6.118 -4.737 1.00 2.24 C ATOM 1186 O HIS A 79 6.209 -6.422 -3.645 1.00 0.32 O ATOM 1187 CB HIS A 79 6.727 -8.214 -5.668 1.00 2.10 C ATOM 1188 CG HIS A 79 6.547 -9.409 -6.553 1.00 43.41 C ATOM 1189 ND1 HIS A 79 6.446 -9.320 -7.925 1.00 62.14 N ATOM 1190 CD2 HIS A 79 6.452 -10.725 -6.254 1.00 62.45 C ATOM 1191 CE1 HIS A 79 6.295 -10.531 -8.433 1.00 11.45 C ATOM 1192 NE2 HIS A 79 6.296 -11.401 -7.439 1.00 73.44 N ATOM 0 H HIS A 79 6.804 -6.287 -7.408 1.00 30.11 H new ATOM 0 HA HIS A 79 4.675 -7.604 -5.853 1.00 63.45 H new ATOM 0 HB2 HIS A 79 7.709 -7.780 -5.854 1.00 2.10 H new ATOM 0 HB3 HIS A 79 6.713 -8.538 -4.627 1.00 2.10 H new ATOM 0 HD2 HIS A 79 6.491 -11.162 -5.267 1.00 62.45 H new ATOM 0 HE1 HIS A 79 6.189 -10.768 -9.481 1.00 11.45 H new ATOM 0 HE2 HIS A 79 6.197 -12.412 -7.536 1.00 73.44 H new ATOM 1200 N GLN A 80 5.248 -4.909 -5.005 1.00 55.52 N ATOM 1201 CA GLN A 80 5.256 -3.845 -4.008 1.00 44.52 C ATOM 1202 C GLN A 80 4.118 -4.024 -3.010 1.00 35.41 C ATOM 1203 O GLN A 80 4.341 -4.393 -1.856 1.00 63.35 O ATOM 1204 CB GLN A 80 5.144 -2.479 -4.688 1.00 53.11 C ATOM 1205 CG GLN A 80 3.837 -2.279 -5.439 1.00 61.20 C ATOM 1206 CD GLN A 80 3.725 -0.900 -6.058 1.00 70.04 C ATOM 1207 OE1 GLN A 80 2.696 -0.235 -5.938 1.00 10.52 O ATOM 1208 NE2 GLN A 80 4.786 -0.463 -6.726 1.00 50.35 N ATOM 0 H GLN A 80 4.848 -4.641 -5.904 1.00 55.52 H new ATOM 0 HA GLN A 80 6.200 -3.897 -3.466 1.00 44.52 H new ATOM 0 HB2 GLN A 80 5.244 -1.698 -3.934 1.00 53.11 H new ATOM 0 HB3 GLN A 80 5.975 -2.359 -5.383 1.00 53.11 H new ATOM 0 HG2 GLN A 80 3.753 -3.033 -6.222 1.00 61.20 H new ATOM 0 HG3 GLN A 80 3.002 -2.435 -4.756 1.00 61.20 H new ATOM 0 HE21 GLN A 80 5.618 -1.048 -6.800 1.00 50.35 H new ATOM 0 HE22 GLN A 80 4.769 0.458 -7.165 1.00 50.35 H new