USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 92 ASN : amide:sc= 1.84 K(o=2.1,f=-11!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -173:sc= 0.271 (180deg=-1.13) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= -0.106 USER MOD Set 2.2: A 66 CYS SG : rot -149:sc= -0.0422 USER MOD Single : A 23 MET CE :methyl 174:sc= 0 (180deg=-0.054) USER MOD Single : A 34 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.4) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0263 K(o=-0.026,f=-0.73) USER MOD Single : A 53 THR OG1 : rot -37:sc= 0.309 USER MOD Single : A 59 MET CE :methyl 161:sc= -0.162 (180deg=-0.663) USER MOD Single : A 60 THR OG1 : rot -130:sc= -0.0878 USER MOD Single : A 63 SER OG : rot -34:sc= 0.288 USER MOD Single : A 69 THR OG1 : rot 126:sc= 1.55 USER MOD Single : A 75 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 76 SER OG : rot -130:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 2.158 -4.653 -14.018 1.00 74.41 N ATOM 111 CA ALA A 10 2.772 -3.937 -15.141 1.00 23.23 C ATOM 112 C ALA A 10 4.020 -4.683 -15.644 1.00 74.14 C ATOM 113 O ALA A 10 4.518 -5.589 -14.969 1.00 4.11 O ATOM 114 CB ALA A 10 3.108 -2.496 -14.735 1.00 4.21 C ATOM 0 HA ALA A 10 2.057 -3.897 -15.963 1.00 23.23 H new ATOM 0 HB1 ALA A 10 3.563 -1.977 -15.579 1.00 4.21 H new ATOM 0 HB2 ALA A 10 2.195 -1.979 -14.440 1.00 4.21 H new ATOM 0 HB3 ALA A 10 3.805 -2.507 -13.897 1.00 4.21 H new ATOM 120 N PRO A 11 4.526 -4.345 -16.852 1.00 13.23 N ATOM 121 CA PRO A 11 5.770 -4.932 -17.374 1.00 30.43 C ATOM 122 C PRO A 11 6.975 -4.588 -16.491 1.00 61.43 C ATOM 123 O PRO A 11 6.986 -3.551 -15.820 1.00 73.41 O ATOM 124 CB PRO A 11 5.915 -4.308 -18.772 1.00 1.04 C ATOM 125 CG PRO A 11 5.066 -3.083 -18.733 1.00 42.32 C ATOM 126 CD PRO A 11 3.922 -3.404 -17.816 1.00 1.34 C ATOM 0 HA PRO A 11 5.733 -6.021 -17.397 1.00 30.43 H new ATOM 0 HB2 PRO A 11 6.954 -4.062 -18.989 1.00 1.04 H new ATOM 0 HB3 PRO A 11 5.581 -4.996 -19.549 1.00 1.04 H new ATOM 0 HG2 PRO A 11 5.632 -2.227 -18.366 1.00 42.32 H new ATOM 0 HG3 PRO A 11 4.707 -2.825 -19.729 1.00 42.32 H new ATOM 0 HD2 PRO A 11 3.537 -2.512 -17.322 1.00 1.34 H new ATOM 0 HD3 PRO A 11 3.088 -3.856 -18.353 1.00 1.34 H new ATOM 134 N ALA A 12 7.987 -5.457 -16.521 1.00 24.03 N ATOM 135 CA ALA A 12 9.162 -5.351 -15.648 1.00 32.42 C ATOM 136 C ALA A 12 9.723 -3.928 -15.575 1.00 31.32 C ATOM 137 O ALA A 12 10.041 -3.438 -14.488 1.00 71.43 O ATOM 138 CB ALA A 12 10.248 -6.315 -16.118 1.00 33.01 C ATOM 0 H ALA A 12 8.017 -6.257 -17.153 1.00 24.03 H new ATOM 0 HA ALA A 12 8.836 -5.616 -14.642 1.00 32.42 H new ATOM 0 HB1 ALA A 12 11.117 -6.231 -15.465 1.00 33.01 H new ATOM 0 HB2 ALA A 12 9.867 -7.336 -16.085 1.00 33.01 H new ATOM 0 HB3 ALA A 12 10.536 -6.068 -17.140 1.00 33.01 H new ATOM 144 N GLU A 13 9.835 -3.272 -16.725 1.00 53.21 N ATOM 145 CA GLU A 13 10.449 -1.944 -16.804 1.00 52.14 C ATOM 146 C GLU A 13 9.643 -0.922 -16.002 1.00 44.13 C ATOM 147 O GLU A 13 10.189 -0.198 -15.163 1.00 43.11 O ATOM 148 CB GLU A 13 10.569 -1.475 -18.263 1.00 52.10 C ATOM 149 CG GLU A 13 11.468 -2.348 -19.139 1.00 63.02 C ATOM 150 CD GLU A 13 10.945 -3.766 -19.313 1.00 12.25 C ATOM 151 OE1 GLU A 13 11.724 -4.722 -19.127 1.00 53.04 O ATOM 152 OE2 GLU A 13 9.742 -3.928 -19.615 1.00 55.02 O ATOM 0 H GLU A 13 9.509 -3.637 -17.620 1.00 53.21 H new ATOM 0 HA GLU A 13 11.449 -2.021 -16.377 1.00 52.14 H new ATOM 0 HB2 GLU A 13 9.573 -1.444 -18.704 1.00 52.10 H new ATOM 0 HB3 GLU A 13 10.954 -0.455 -18.273 1.00 52.10 H new ATOM 0 HG2 GLU A 13 11.570 -1.883 -20.120 1.00 63.02 H new ATOM 0 HG3 GLU A 13 12.465 -2.387 -18.699 1.00 63.02 H new ATOM 159 N GLU A 14 8.341 -0.873 -16.267 1.00 44.34 N ATOM 160 CA GLU A 14 7.454 0.079 -15.603 1.00 35.43 C ATOM 161 C GLU A 14 7.325 -0.252 -14.119 1.00 35.30 C ATOM 162 O GLU A 14 7.409 0.636 -13.268 1.00 61.45 O ATOM 163 CB GLU A 14 6.078 0.099 -16.286 1.00 43.02 C ATOM 164 CG GLU A 14 6.135 0.599 -17.728 1.00 0.33 C ATOM 165 CD GLU A 14 4.766 0.705 -18.384 1.00 21.43 C ATOM 166 OE1 GLU A 14 3.919 1.467 -17.878 1.00 72.33 O ATOM 167 OE2 GLU A 14 4.540 0.052 -19.424 1.00 61.44 O ATOM 0 H GLU A 14 7.875 -1.483 -16.939 1.00 44.34 H new ATOM 0 HA GLU A 14 7.888 1.075 -15.688 1.00 35.43 H new ATOM 0 HB2 GLU A 14 5.657 -0.906 -16.272 1.00 43.02 H new ATOM 0 HB3 GLU A 14 5.403 0.735 -15.713 1.00 43.02 H new ATOM 0 HG2 GLU A 14 6.616 1.577 -17.747 1.00 0.33 H new ATOM 0 HG3 GLU A 14 6.760 -0.075 -18.314 1.00 0.33 H new ATOM 174 N LEU A 15 7.151 -1.538 -13.820 1.00 33.35 N ATOM 175 CA LEU A 15 7.061 -2.010 -12.441 1.00 21.14 C ATOM 176 C LEU A 15 8.302 -1.597 -11.651 1.00 54.12 C ATOM 177 O LEU A 15 8.201 -1.151 -10.510 1.00 54.01 O ATOM 178 CB LEU A 15 6.904 -3.539 -12.409 1.00 1.25 C ATOM 179 CG LEU A 15 6.897 -4.182 -11.006 1.00 35.41 C ATOM 180 CD1 LEU A 15 5.770 -3.619 -10.145 1.00 42.24 C ATOM 181 CD2 LEU A 15 6.786 -5.703 -11.114 1.00 1.31 C ATOM 0 H LEU A 15 7.069 -2.275 -14.520 1.00 33.35 H new ATOM 0 HA LEU A 15 6.185 -1.555 -11.979 1.00 21.14 H new ATOM 0 HB2 LEU A 15 5.974 -3.801 -12.913 1.00 1.25 H new ATOM 0 HB3 LEU A 15 7.715 -3.981 -12.987 1.00 1.25 H new ATOM 0 HG LEU A 15 7.841 -3.937 -10.520 1.00 35.41 H new ATOM 0 HD11 LEU A 15 5.791 -4.092 -9.163 1.00 42.24 H new ATOM 0 HD12 LEU A 15 5.901 -2.543 -10.033 1.00 42.24 H new ATOM 0 HD13 LEU A 15 4.811 -3.820 -10.623 1.00 42.24 H new ATOM 0 HD21 LEU A 15 6.783 -6.139 -10.115 1.00 1.31 H new ATOM 0 HD22 LEU A 15 5.861 -5.965 -11.628 1.00 1.31 H new ATOM 0 HD23 LEU A 15 7.635 -6.091 -11.676 1.00 1.31 H new ATOM 193 N LEU A 16 9.466 -1.733 -12.284 1.00 5.11 N ATOM 194 CA LEU A 16 10.741 -1.413 -11.643 1.00 73.55 C ATOM 195 C LEU A 16 10.745 0.024 -11.127 1.00 14.10 C ATOM 196 O LEU A 16 10.919 0.264 -9.933 1.00 44.11 O ATOM 197 CB LEU A 16 11.900 -1.619 -12.629 1.00 31.42 C ATOM 198 CG LEU A 16 13.306 -1.340 -12.067 1.00 45.41 C ATOM 199 CD1 LEU A 16 13.618 -2.269 -10.895 1.00 53.34 C ATOM 200 CD2 LEU A 16 14.359 -1.479 -13.165 1.00 34.34 C ATOM 0 H LEU A 16 9.553 -2.064 -13.245 1.00 5.11 H new ATOM 0 HA LEU A 16 10.872 -2.085 -10.795 1.00 73.55 H new ATOM 0 HB2 LEU A 16 11.869 -2.647 -12.989 1.00 31.42 H new ATOM 0 HB3 LEU A 16 11.738 -0.974 -13.493 1.00 31.42 H new ATOM 0 HG LEU A 16 13.329 -0.315 -11.698 1.00 45.41 H new ATOM 0 HD11 LEU A 16 14.616 -2.053 -10.515 1.00 53.34 H new ATOM 0 HD12 LEU A 16 12.886 -2.113 -10.102 1.00 53.34 H new ATOM 0 HD13 LEU A 16 13.574 -3.305 -11.230 1.00 53.34 H new ATOM 0 HD21 LEU A 16 15.347 -1.278 -12.750 1.00 34.34 H new ATOM 0 HD22 LEU A 16 14.334 -2.492 -13.567 1.00 34.34 H new ATOM 0 HD23 LEU A 16 14.149 -0.766 -13.963 1.00 34.34 H new ATOM 212 N ALA A 17 10.530 0.971 -12.036 1.00 20.53 N ATOM 213 CA ALA A 17 10.581 2.388 -11.696 1.00 23.12 C ATOM 214 C ALA A 17 9.482 2.761 -10.706 1.00 61.34 C ATOM 215 O ALA A 17 9.733 3.456 -9.715 1.00 25.30 O ATOM 216 CB ALA A 17 10.472 3.239 -12.956 1.00 34.44 C ATOM 0 H ALA A 17 10.318 0.781 -13.016 1.00 20.53 H new ATOM 0 HA ALA A 17 11.541 2.584 -11.219 1.00 23.12 H new ATOM 0 HB1 ALA A 17 10.511 4.294 -12.687 1.00 34.44 H new ATOM 0 HB2 ALA A 17 11.299 3.004 -13.626 1.00 34.44 H new ATOM 0 HB3 ALA A 17 9.527 3.028 -13.457 1.00 34.44 H new ATOM 222 N ASP A 18 8.269 2.279 -10.971 1.00 44.14 N ATOM 223 CA ASP A 18 7.106 2.633 -10.158 1.00 73.05 C ATOM 224 C ASP A 18 7.281 2.152 -8.720 1.00 53.20 C ATOM 225 O ASP A 18 7.087 2.921 -7.773 1.00 31.43 O ATOM 226 CB ASP A 18 5.820 2.049 -10.762 1.00 55.23 C ATOM 227 CG ASP A 18 4.571 2.498 -10.016 1.00 62.01 C ATOM 228 OD1 ASP A 18 3.984 1.684 -9.276 1.00 21.23 O ATOM 229 OD2 ASP A 18 4.181 3.680 -10.165 1.00 74.01 O ATOM 0 H ASP A 18 8.066 1.643 -11.742 1.00 44.14 H new ATOM 0 HA ASP A 18 7.022 3.720 -10.150 1.00 73.05 H new ATOM 0 HB2 ASP A 18 5.744 2.350 -11.807 1.00 55.23 H new ATOM 0 HB3 ASP A 18 5.877 0.961 -10.747 1.00 55.23 H new ATOM 234 N VAL A 19 7.680 0.891 -8.560 1.00 24.41 N ATOM 235 CA VAL A 19 7.874 0.319 -7.231 1.00 53.54 C ATOM 236 C VAL A 19 9.100 0.940 -6.558 1.00 3.15 C ATOM 237 O VAL A 19 9.121 1.123 -5.342 1.00 32.35 O ATOM 238 CB VAL A 19 8.012 -1.230 -7.265 1.00 51.02 C ATOM 239 CG1 VAL A 19 9.396 -1.667 -7.748 1.00 34.23 C ATOM 240 CG2 VAL A 19 7.698 -1.828 -5.894 1.00 54.32 C ATOM 0 H VAL A 19 7.874 0.250 -9.330 1.00 24.41 H new ATOM 0 HA VAL A 19 6.982 0.553 -6.650 1.00 53.54 H new ATOM 0 HB VAL A 19 7.285 -1.610 -7.983 1.00 51.02 H new ATOM 0 HG11 VAL A 19 9.451 -2.756 -7.757 1.00 34.23 H new ATOM 0 HG12 VAL A 19 9.567 -1.286 -8.755 1.00 34.23 H new ATOM 0 HG13 VAL A 19 10.158 -1.271 -7.076 1.00 34.23 H new ATOM 0 HG21 VAL A 19 7.800 -2.912 -5.938 1.00 54.32 H new ATOM 0 HG22 VAL A 19 8.392 -1.428 -5.155 1.00 54.32 H new ATOM 0 HG23 VAL A 19 6.678 -1.571 -5.610 1.00 54.32 H new ATOM 250 N GLU A 20 10.115 1.273 -7.364 1.00 45.12 N ATOM 251 CA GLU A 20 11.319 1.943 -6.865 1.00 71.05 C ATOM 252 C GLU A 20 10.935 3.241 -6.159 1.00 62.23 C ATOM 253 O GLU A 20 11.350 3.495 -5.025 1.00 13.44 O ATOM 254 CB GLU A 20 12.289 2.219 -8.031 1.00 0.43 C ATOM 255 CG GLU A 20 13.507 3.070 -7.674 1.00 62.03 C ATOM 256 CD GLU A 20 14.338 2.490 -6.540 1.00 61.20 C ATOM 257 OE1 GLU A 20 14.541 3.186 -5.523 1.00 54.45 O ATOM 258 OE2 GLU A 20 14.790 1.333 -6.651 1.00 25.14 O ATOM 0 H GLU A 20 10.125 1.088 -8.367 1.00 45.12 H new ATOM 0 HA GLU A 20 11.822 1.295 -6.147 1.00 71.05 H new ATOM 0 HB2 GLU A 20 12.636 1.265 -8.428 1.00 0.43 H new ATOM 0 HB3 GLU A 20 11.739 2.716 -8.830 1.00 0.43 H new ATOM 0 HG2 GLU A 20 14.137 3.178 -8.557 1.00 62.03 H new ATOM 0 HG3 GLU A 20 13.173 4.070 -7.396 1.00 62.03 H new ATOM 265 N GLU A 21 10.121 4.048 -6.831 1.00 72.21 N ATOM 266 CA GLU A 21 9.641 5.300 -6.258 1.00 40.23 C ATOM 267 C GLU A 21 8.737 5.027 -5.055 1.00 74.31 C ATOM 268 O GLU A 21 8.917 5.606 -3.980 1.00 22.53 O ATOM 269 CB GLU A 21 8.877 6.108 -7.314 1.00 65.14 C ATOM 270 CG GLU A 21 9.698 6.433 -8.557 1.00 41.22 C ATOM 271 CD GLU A 21 10.950 7.251 -8.266 1.00 50.21 C ATOM 272 OE1 GLU A 21 10.861 8.229 -7.495 1.00 70.00 O ATOM 273 OE2 GLU A 21 12.018 6.942 -8.840 1.00 63.02 O ATOM 0 H GLU A 21 9.780 3.857 -7.773 1.00 72.21 H new ATOM 0 HA GLU A 21 10.502 5.878 -5.924 1.00 40.23 H new ATOM 0 HB2 GLU A 21 7.990 5.550 -7.612 1.00 65.14 H new ATOM 0 HB3 GLU A 21 8.532 7.039 -6.865 1.00 65.14 H new ATOM 0 HG2 GLU A 21 9.988 5.502 -9.044 1.00 41.22 H new ATOM 0 HG3 GLU A 21 9.073 6.980 -9.262 1.00 41.22 H new ATOM 280 N ALA A 22 7.784 4.117 -5.240 1.00 5.12 N ATOM 281 CA ALA A 22 6.799 3.797 -4.210 1.00 72.01 C ATOM 282 C ALA A 22 7.464 3.333 -2.915 1.00 53.34 C ATOM 283 O ALA A 22 7.033 3.695 -1.818 1.00 30.04 O ATOM 284 CB ALA A 22 5.832 2.734 -4.719 1.00 22.43 C ATOM 0 H ALA A 22 7.673 3.584 -6.102 1.00 5.12 H new ATOM 0 HA ALA A 22 6.245 4.709 -3.987 1.00 72.01 H new ATOM 0 HB1 ALA A 22 5.103 2.504 -3.942 1.00 22.43 H new ATOM 0 HB2 ALA A 22 5.315 3.106 -5.604 1.00 22.43 H new ATOM 0 HB3 ALA A 22 6.386 1.831 -4.975 1.00 22.43 H new ATOM 290 N MET A 23 8.548 2.573 -3.050 1.00 20.24 N ATOM 291 CA MET A 23 9.234 1.994 -1.893 1.00 63.32 C ATOM 292 C MET A 23 9.953 3.084 -1.114 1.00 55.11 C ATOM 293 O MET A 23 10.390 2.874 0.008 1.00 12.53 O ATOM 294 CB MET A 23 10.233 0.908 -2.333 1.00 3.21 C ATOM 295 CG MET A 23 9.572 -0.387 -2.791 1.00 3.32 C ATOM 296 SD MET A 23 8.664 -1.209 -1.467 1.00 14.01 S ATOM 297 CE MET A 23 8.005 -2.631 -2.336 1.00 31.44 C ATOM 0 H MET A 23 8.972 2.342 -3.949 1.00 20.24 H new ATOM 0 HA MET A 23 8.488 1.529 -1.249 1.00 63.32 H new ATOM 0 HB2 MET A 23 10.846 1.299 -3.145 1.00 3.21 H new ATOM 0 HB3 MET A 23 10.905 0.688 -1.504 1.00 3.21 H new ATOM 0 HG2 MET A 23 8.891 -0.171 -3.614 1.00 3.32 H new ATOM 0 HG3 MET A 23 10.335 -1.063 -3.177 1.00 3.32 H new ATOM 0 HE1 MET A 23 7.508 -3.293 -1.627 1.00 31.44 H new ATOM 0 HE2 MET A 23 7.287 -2.299 -3.086 1.00 31.44 H new ATOM 0 HE3 MET A 23 8.818 -3.168 -2.825 1.00 31.44 H new ATOM 307 N ARG A 24 10.073 4.247 -1.738 1.00 0.03 N ATOM 308 CA ARG A 24 10.716 5.406 -1.133 1.00 73.55 C ATOM 309 C ARG A 24 9.683 6.410 -0.615 1.00 40.33 C ATOM 310 O ARG A 24 10.051 7.456 -0.075 1.00 74.54 O ATOM 311 CB ARG A 24 11.636 6.052 -2.174 1.00 22.40 C ATOM 312 CG ARG A 24 13.041 5.448 -2.206 1.00 43.24 C ATOM 313 CD ARG A 24 13.632 5.443 -3.610 1.00 63.55 C ATOM 314 NE ARG A 24 13.489 6.732 -4.291 1.00 0.55 N ATOM 315 CZ ARG A 24 13.771 6.922 -5.583 1.00 42.42 C ATOM 316 NH1 ARG A 24 14.243 5.918 -6.316 1.00 35.43 N ATOM 317 NH2 ARG A 24 13.574 8.111 -6.135 1.00 74.31 N ATOM 0 H ARG A 24 9.726 4.415 -2.682 1.00 0.03 H new ATOM 0 HA ARG A 24 11.303 5.085 -0.272 1.00 73.55 H new ATOM 0 HB2 ARG A 24 11.183 5.950 -3.160 1.00 22.40 H new ATOM 0 HB3 ARG A 24 11.713 7.119 -1.967 1.00 22.40 H new ATOM 0 HG2 ARG A 24 13.693 6.014 -1.541 1.00 43.24 H new ATOM 0 HG3 ARG A 24 13.005 4.427 -1.825 1.00 43.24 H new ATOM 0 HD2 ARG A 24 14.689 5.183 -3.553 1.00 63.55 H new ATOM 0 HD3 ARG A 24 13.144 4.669 -4.202 1.00 63.55 H new ATOM 0 HE ARG A 24 13.156 7.529 -3.749 1.00 0.55 H new ATOM 0 HH11 ARG A 24 14.390 5.002 -5.892 1.00 35.43 H new ATOM 0 HH12 ARG A 24 14.458 6.064 -7.302 1.00 35.43 H new ATOM 0 HH21 ARG A 24 13.208 8.880 -5.573 1.00 74.31 H new ATOM 0 HH22 ARG A 24 13.789 8.257 -7.121 1.00 74.31 H new ATOM 331 N ASP A 25 8.396 6.096 -0.766 1.00 45.14 N ATOM 332 CA ASP A 25 7.332 7.010 -0.326 1.00 71.54 C ATOM 333 C ASP A 25 6.470 6.337 0.730 1.00 4.12 C ATOM 334 O ASP A 25 5.920 6.988 1.614 1.00 74.20 O ATOM 335 CB ASP A 25 6.469 7.439 -1.525 1.00 63.42 C ATOM 336 CG ASP A 25 5.332 8.385 -1.145 1.00 0.23 C ATOM 337 OD1 ASP A 25 5.617 9.509 -0.671 1.00 34.22 O ATOM 338 OD2 ASP A 25 4.154 8.027 -1.351 1.00 13.14 O ATOM 0 H ASP A 25 8.064 5.227 -1.184 1.00 45.14 H new ATOM 0 HA ASP A 25 7.789 7.899 0.109 1.00 71.54 H new ATOM 0 HB2 ASP A 25 7.104 7.925 -2.265 1.00 63.42 H new ATOM 0 HB3 ASP A 25 6.050 6.551 -1.998 1.00 63.42 H new ATOM 343 N VAL A 26 6.415 5.014 0.646 1.00 52.32 N ATOM 344 CA VAL A 26 5.637 4.186 1.545 1.00 53.14 C ATOM 345 C VAL A 26 6.491 3.723 2.735 1.00 32.11 C ATOM 346 O VAL A 26 5.972 3.286 3.764 1.00 30.00 O ATOM 347 CB VAL A 26 5.101 2.967 0.754 1.00 22.42 C ATOM 348 CG1 VAL A 26 4.438 1.956 1.667 1.00 4.14 C ATOM 349 CG2 VAL A 26 4.138 3.426 -0.342 1.00 50.05 C ATOM 0 H VAL A 26 6.920 4.482 -0.062 1.00 52.32 H new ATOM 0 HA VAL A 26 4.803 4.763 1.943 1.00 53.14 H new ATOM 0 HB VAL A 26 5.952 2.472 0.286 1.00 22.42 H new ATOM 0 HG11 VAL A 26 4.075 1.115 1.076 1.00 4.14 H new ATOM 0 HG12 VAL A 26 5.161 1.599 2.400 1.00 4.14 H new ATOM 0 HG13 VAL A 26 3.600 2.426 2.183 1.00 4.14 H new ATOM 0 HG21 VAL A 26 3.770 2.558 -0.889 1.00 50.05 H new ATOM 0 HG22 VAL A 26 3.298 3.954 0.109 1.00 50.05 H new ATOM 0 HG23 VAL A 26 4.659 4.093 -1.028 1.00 50.05 H new ATOM 359 N VAL A 27 7.806 3.833 2.584 1.00 42.35 N ATOM 360 CA VAL A 27 8.749 3.407 3.618 1.00 22.53 C ATOM 361 C VAL A 27 8.950 4.522 4.646 1.00 21.30 C ATOM 362 O VAL A 27 8.577 5.669 4.396 1.00 23.10 O ATOM 363 CB VAL A 27 10.123 3.045 2.987 1.00 54.41 C ATOM 364 CG1 VAL A 27 10.851 4.294 2.498 1.00 50.31 C ATOM 365 CG2 VAL A 27 11.002 2.260 3.952 1.00 2.04 C ATOM 0 H VAL A 27 8.249 4.217 1.749 1.00 42.35 H new ATOM 0 HA VAL A 27 8.335 2.527 4.111 1.00 22.53 H new ATOM 0 HB VAL A 27 9.920 2.405 2.128 1.00 54.41 H new ATOM 0 HG11 VAL A 27 11.809 4.010 2.062 1.00 50.31 H new ATOM 0 HG12 VAL A 27 10.244 4.797 1.745 1.00 50.31 H new ATOM 0 HG13 VAL A 27 11.021 4.968 3.337 1.00 50.31 H new ATOM 0 HG21 VAL A 27 11.952 2.027 3.471 1.00 2.04 H new ATOM 0 HG22 VAL A 27 11.184 2.857 4.846 1.00 2.04 H new ATOM 0 HG23 VAL A 27 10.500 1.333 4.230 1.00 2.04 H new ATOM 375 N ASP A 28 9.537 4.184 5.793 1.00 35.15 N ATOM 376 CA ASP A 28 9.983 5.187 6.752 1.00 70.31 C ATOM 377 C ASP A 28 11.503 5.307 6.666 1.00 51.03 C ATOM 378 O ASP A 28 12.229 4.606 7.372 1.00 45.41 O ATOM 379 CB ASP A 28 9.570 4.816 8.187 1.00 32.44 C ATOM 380 CG ASP A 28 10.034 5.857 9.206 1.00 13.22 C ATOM 381 OD1 ASP A 28 9.289 6.828 9.464 1.00 64.55 O ATOM 382 OD2 ASP A 28 11.152 5.709 9.759 1.00 34.33 O ATOM 0 H ASP A 28 9.714 3.221 6.079 1.00 35.15 H new ATOM 0 HA ASP A 28 9.512 6.139 6.508 1.00 70.31 H new ATOM 0 HB2 ASP A 28 8.486 4.718 8.238 1.00 32.44 H new ATOM 0 HB3 ASP A 28 9.991 3.844 8.445 1.00 32.44 H new ATOM 387 N PRO A 29 12.012 6.169 5.768 1.00 20.44 N ATOM 388 CA PRO A 29 13.446 6.335 5.569 1.00 75.04 C ATOM 389 C PRO A 29 14.028 7.331 6.571 1.00 71.21 C ATOM 390 O PRO A 29 15.237 7.579 6.593 1.00 24.14 O ATOM 391 CB PRO A 29 13.520 6.849 4.124 1.00 24.34 C ATOM 392 CG PRO A 29 12.268 7.642 3.938 1.00 3.01 C ATOM 393 CD PRO A 29 11.235 7.062 4.883 1.00 32.50 C ATOM 0 HA PRO A 29 14.025 5.425 5.724 1.00 75.04 H new ATOM 0 HB2 PRO A 29 14.406 7.465 3.968 1.00 24.34 H new ATOM 0 HB3 PRO A 29 13.576 6.025 3.413 1.00 24.34 H new ATOM 0 HG2 PRO A 29 12.442 8.696 4.156 1.00 3.01 H new ATOM 0 HG3 PRO A 29 11.923 7.583 2.906 1.00 3.01 H new ATOM 0 HD2 PRO A 29 10.731 7.844 5.450 1.00 32.50 H new ATOM 0 HD3 PRO A 29 10.464 6.514 4.342 1.00 32.50 H new ATOM 401 N GLU A 30 13.147 7.886 7.405 1.00 43.11 N ATOM 402 CA GLU A 30 13.533 8.832 8.443 1.00 52.45 C ATOM 403 C GLU A 30 14.349 8.123 9.528 1.00 62.14 C ATOM 404 O GLU A 30 15.492 8.495 9.805 1.00 72.33 O ATOM 405 CB GLU A 30 12.276 9.486 9.033 1.00 41.25 C ATOM 406 CG GLU A 30 12.559 10.606 10.024 1.00 74.25 C ATOM 407 CD GLU A 30 11.287 11.270 10.527 1.00 43.21 C ATOM 408 OE1 GLU A 30 10.672 10.747 11.481 1.00 71.41 O ATOM 409 OE2 GLU A 30 10.892 12.317 9.970 1.00 13.03 O ATOM 0 H GLU A 30 12.146 7.690 7.377 1.00 43.11 H new ATOM 0 HA GLU A 30 14.160 9.612 8.011 1.00 52.45 H new ATOM 0 HB2 GLU A 30 11.670 9.882 8.218 1.00 41.25 H new ATOM 0 HB3 GLU A 30 11.681 8.720 9.529 1.00 41.25 H new ATOM 0 HG2 GLU A 30 13.116 10.206 10.871 1.00 74.25 H new ATOM 0 HG3 GLU A 30 13.194 11.355 9.550 1.00 74.25 H new ATOM 416 N LEU A 31 13.762 7.090 10.135 1.00 13.11 N ATOM 417 CA LEU A 31 14.477 6.260 11.108 1.00 12.12 C ATOM 418 C LEU A 31 14.976 4.980 10.432 1.00 35.02 C ATOM 419 O LEU A 31 15.848 4.280 10.959 1.00 14.40 O ATOM 420 CB LEU A 31 13.591 5.919 12.323 1.00 24.32 C ATOM 421 CG LEU A 31 13.285 7.081 13.287 1.00 24.00 C ATOM 422 CD1 LEU A 31 12.360 8.108 12.640 1.00 73.05 C ATOM 423 CD2 LEU A 31 12.684 6.553 14.590 1.00 35.01 C ATOM 0 H LEU A 31 12.796 6.808 9.971 1.00 13.11 H new ATOM 0 HA LEU A 31 15.331 6.829 11.476 1.00 12.12 H new ATOM 0 HB2 LEU A 31 12.645 5.519 11.957 1.00 24.32 H new ATOM 0 HB3 LEU A 31 14.076 5.123 12.888 1.00 24.32 H new ATOM 0 HG LEU A 31 14.225 7.582 13.519 1.00 24.00 H new ATOM 0 HD11 LEU A 31 12.163 8.915 13.345 1.00 73.05 H new ATOM 0 HD12 LEU A 31 12.835 8.514 11.747 1.00 73.05 H new ATOM 0 HD13 LEU A 31 11.420 7.629 12.365 1.00 73.05 H new ATOM 0 HD21 LEU A 31 12.474 7.388 15.259 1.00 35.01 H new ATOM 0 HD22 LEU A 31 11.758 6.020 14.374 1.00 35.01 H new ATOM 0 HD23 LEU A 31 13.390 5.874 15.068 1.00 35.01 H new ATOM 435 N GLY A 32 14.405 4.674 9.268 1.00 31.21 N ATOM 436 CA GLY A 32 14.892 3.569 8.457 1.00 1.15 C ATOM 437 C GLY A 32 14.143 2.270 8.695 1.00 61.15 C ATOM 438 O GLY A 32 14.755 1.201 8.755 1.00 50.33 O ATOM 0 H GLY A 32 13.610 5.174 8.871 1.00 31.21 H new ATOM 0 HA2 GLY A 32 14.812 3.838 7.404 1.00 1.15 H new ATOM 0 HA3 GLY A 32 15.950 3.413 8.667 1.00 1.15 H new ATOM 442 N ILE A 33 12.819 2.356 8.834 1.00 55.14 N ATOM 443 CA ILE A 33 11.979 1.164 8.964 1.00 12.40 C ATOM 444 C ILE A 33 11.168 0.978 7.691 1.00 71.14 C ATOM 445 O ILE A 33 10.674 1.946 7.114 1.00 25.15 O ATOM 446 CB ILE A 33 10.989 1.237 10.161 1.00 54.04 C ATOM 447 CG1 ILE A 33 11.723 1.533 11.480 1.00 23.45 C ATOM 448 CG2 ILE A 33 10.191 -0.065 10.281 1.00 15.33 C ATOM 449 CD1 ILE A 33 12.134 2.978 11.636 1.00 21.52 C ATOM 0 H ILE A 33 12.306 3.237 8.859 1.00 55.14 H new ATOM 0 HA ILE A 33 12.654 0.327 9.141 1.00 12.40 H new ATOM 0 HB ILE A 33 10.298 2.058 9.968 1.00 54.04 H new ATOM 0 HG12 ILE A 33 11.078 1.256 12.314 1.00 23.45 H new ATOM 0 HG13 ILE A 33 12.611 0.904 11.540 1.00 23.45 H new ATOM 0 HG21 ILE A 33 9.504 0.006 11.124 1.00 15.33 H new ATOM 0 HG22 ILE A 33 9.625 -0.230 9.364 1.00 15.33 H new ATOM 0 HG23 ILE A 33 10.876 -0.898 10.440 1.00 15.33 H new ATOM 0 HD11 ILE A 33 12.646 3.110 12.589 1.00 21.52 H new ATOM 0 HD12 ILE A 33 12.805 3.255 10.823 1.00 21.52 H new ATOM 0 HD13 ILE A 33 11.249 3.613 11.609 1.00 21.52 H new ATOM 461 N ASN A 34 11.024 -0.263 7.253 1.00 12.54 N ATOM 462 CA ASN A 34 10.242 -0.563 6.061 1.00 12.02 C ATOM 463 C ASN A 34 8.954 -1.253 6.469 1.00 63.33 C ATOM 464 O ASN A 34 8.962 -2.106 7.344 1.00 43.14 O ATOM 465 CB ASN A 34 11.022 -1.453 5.072 1.00 20.43 C ATOM 466 CG ASN A 34 12.331 -0.846 4.577 1.00 60.22 C ATOM 467 OD1 ASN A 34 12.668 -0.964 3.399 1.00 52.03 O ATOM 468 ND2 ASN A 34 13.102 -0.238 5.467 1.00 31.53 N ATOM 0 H ASN A 34 11.438 -1.079 7.704 1.00 12.54 H new ATOM 0 HA ASN A 34 10.022 0.376 5.554 1.00 12.02 H new ATOM 0 HB2 ASN A 34 11.237 -2.408 5.552 1.00 20.43 H new ATOM 0 HB3 ASN A 34 10.386 -1.665 4.213 1.00 20.43 H new ATOM 0 HD21 ASN A 34 14.002 0.148 5.183 1.00 31.53 H new ATOM 0 HD22 ASN A 34 12.795 -0.156 6.436 1.00 31.53 H new ATOM 475 N VAL A 35 7.845 -0.879 5.843 1.00 32.31 N ATOM 476 CA VAL A 35 6.553 -1.483 6.157 1.00 63.41 C ATOM 477 C VAL A 35 6.576 -2.994 5.871 1.00 5.24 C ATOM 478 O VAL A 35 5.910 -3.784 6.550 1.00 22.12 O ATOM 479 CB VAL A 35 5.404 -0.797 5.373 1.00 50.15 C ATOM 480 CG1 VAL A 35 5.284 0.676 5.779 1.00 13.24 C ATOM 481 CG2 VAL A 35 5.618 -0.932 3.864 1.00 32.20 C ATOM 0 H VAL A 35 7.812 -0.163 5.117 1.00 32.31 H new ATOM 0 HA VAL A 35 6.367 -1.335 7.221 1.00 63.41 H new ATOM 0 HB VAL A 35 4.469 -1.298 5.624 1.00 50.15 H new ATOM 0 HG11 VAL A 35 4.473 1.143 5.220 1.00 13.24 H new ATOM 0 HG12 VAL A 35 5.074 0.743 6.846 1.00 13.24 H new ATOM 0 HG13 VAL A 35 6.219 1.191 5.560 1.00 13.24 H new ATOM 0 HG21 VAL A 35 4.800 -0.443 3.335 1.00 32.20 H new ATOM 0 HG22 VAL A 35 6.561 -0.462 3.587 1.00 32.20 H new ATOM 0 HG23 VAL A 35 5.646 -1.988 3.593 1.00 32.20 H new ATOM 491 N VAL A 36 7.388 -3.387 4.885 1.00 4.22 N ATOM 492 CA VAL A 36 7.568 -4.797 4.535 1.00 74.33 C ATOM 493 C VAL A 36 8.074 -5.593 5.742 1.00 72.34 C ATOM 494 O VAL A 36 7.866 -6.803 5.832 1.00 54.31 O ATOM 495 CB VAL A 36 8.542 -4.971 3.335 1.00 44.30 C ATOM 496 CG1 VAL A 36 9.954 -4.514 3.696 1.00 70.13 C ATOM 497 CG2 VAL A 36 8.547 -6.417 2.836 1.00 51.13 C ATOM 0 H VAL A 36 7.934 -2.743 4.313 1.00 4.22 H new ATOM 0 HA VAL A 36 6.594 -5.185 4.236 1.00 74.33 H new ATOM 0 HB VAL A 36 8.184 -4.336 2.525 1.00 44.30 H new ATOM 0 HG11 VAL A 36 10.611 -4.648 2.837 1.00 70.13 H new ATOM 0 HG12 VAL A 36 9.935 -3.461 3.977 1.00 70.13 H new ATOM 0 HG13 VAL A 36 10.325 -5.106 4.532 1.00 70.13 H new ATOM 0 HG21 VAL A 36 9.236 -6.510 1.997 1.00 51.13 H new ATOM 0 HG22 VAL A 36 8.865 -7.079 3.642 1.00 51.13 H new ATOM 0 HG23 VAL A 36 7.543 -6.694 2.513 1.00 51.13 H new ATOM 507 N ASP A 37 8.726 -4.888 6.668 1.00 14.21 N ATOM 508 CA ASP A 37 9.256 -5.483 7.901 1.00 51.22 C ATOM 509 C ASP A 37 8.155 -6.204 8.686 1.00 61.41 C ATOM 510 O ASP A 37 8.424 -7.178 9.394 1.00 32.42 O ATOM 511 CB ASP A 37 9.892 -4.385 8.769 1.00 4.51 C ATOM 512 CG ASP A 37 10.424 -4.882 10.105 1.00 51.22 C ATOM 513 OD1 ASP A 37 11.580 -5.357 10.155 1.00 41.31 O ATOM 514 OD2 ASP A 37 9.699 -4.775 11.117 1.00 5.22 O ATOM 0 H ASP A 37 8.903 -3.887 6.586 1.00 14.21 H new ATOM 0 HA ASP A 37 10.012 -6.220 7.632 1.00 51.22 H new ATOM 0 HB2 ASP A 37 10.709 -3.924 8.213 1.00 4.51 H new ATOM 0 HB3 ASP A 37 9.152 -3.606 8.952 1.00 4.51 H new ATOM 519 N LEU A 38 6.911 -5.732 8.548 1.00 20.34 N ATOM 520 CA LEU A 38 5.774 -6.346 9.245 1.00 42.11 C ATOM 521 C LEU A 38 5.421 -7.697 8.610 1.00 54.15 C ATOM 522 O LEU A 38 4.716 -8.512 9.207 1.00 10.14 O ATOM 523 CB LEU A 38 4.550 -5.408 9.227 1.00 35.24 C ATOM 524 CG LEU A 38 4.626 -4.174 10.151 1.00 50.20 C ATOM 525 CD1 LEU A 38 4.829 -4.599 11.602 1.00 73.20 C ATOM 526 CD2 LEU A 38 5.726 -3.211 9.705 1.00 64.13 C ATOM 0 H LEU A 38 6.666 -4.932 7.964 1.00 20.34 H new ATOM 0 HA LEU A 38 6.061 -6.514 10.283 1.00 42.11 H new ATOM 0 HB2 LEU A 38 4.398 -5.062 8.205 1.00 35.24 H new ATOM 0 HB3 LEU A 38 3.669 -5.988 9.501 1.00 35.24 H new ATOM 0 HG LEU A 38 3.676 -3.644 10.079 1.00 50.20 H new ATOM 0 HD11 LEU A 38 4.880 -3.714 12.237 1.00 73.20 H new ATOM 0 HD12 LEU A 38 3.994 -5.225 11.918 1.00 73.20 H new ATOM 0 HD13 LEU A 38 5.758 -5.162 11.690 1.00 73.20 H new ATOM 0 HD21 LEU A 38 5.753 -2.353 10.377 1.00 64.13 H new ATOM 0 HD22 LEU A 38 6.689 -3.722 9.730 1.00 64.13 H new ATOM 0 HD23 LEU A 38 5.522 -2.871 8.690 1.00 64.13 H new ATOM 538 N GLY A 39 5.915 -7.910 7.393 1.00 64.02 N ATOM 539 CA GLY A 39 5.695 -9.154 6.666 1.00 13.13 C ATOM 540 C GLY A 39 4.226 -9.458 6.422 1.00 10.13 C ATOM 541 O GLY A 39 3.851 -10.611 6.198 1.00 0.22 O ATOM 0 H GLY A 39 6.477 -7.227 6.886 1.00 64.02 H new ATOM 0 HA2 GLY A 39 6.212 -9.103 5.708 1.00 13.13 H new ATOM 0 HA3 GLY A 39 6.141 -9.977 7.225 1.00 13.13 H new ATOM 545 N LEU A 40 3.393 -8.424 6.449 1.00 53.23 N ATOM 546 CA LEU A 40 1.973 -8.569 6.126 1.00 20.45 C ATOM 547 C LEU A 40 1.720 -8.159 4.673 1.00 4.23 C ATOM 548 O LEU A 40 0.702 -8.513 4.087 1.00 30.22 O ATOM 549 CB LEU A 40 1.118 -7.734 7.095 1.00 4.33 C ATOM 550 CG LEU A 40 -0.412 -7.878 6.943 1.00 64.30 C ATOM 551 CD1 LEU A 40 -0.853 -9.339 7.033 1.00 0.55 C ATOM 552 CD2 LEU A 40 -1.128 -7.041 7.998 1.00 4.00 C ATOM 0 H LEU A 40 3.674 -7.474 6.691 1.00 53.23 H new ATOM 0 HA LEU A 40 1.686 -9.615 6.239 1.00 20.45 H new ATOM 0 HB2 LEU A 40 1.389 -8.007 8.115 1.00 4.33 H new ATOM 0 HB3 LEU A 40 1.379 -6.684 6.966 1.00 4.33 H new ATOM 0 HG LEU A 40 -0.684 -7.512 5.953 1.00 64.30 H new ATOM 0 HD11 LEU A 40 -1.936 -9.400 6.922 1.00 0.55 H new ATOM 0 HD12 LEU A 40 -0.374 -9.913 6.240 1.00 0.55 H new ATOM 0 HD13 LEU A 40 -0.564 -9.747 8.002 1.00 0.55 H new ATOM 0 HD21 LEU A 40 -2.206 -7.151 7.880 1.00 4.00 H new ATOM 0 HD22 LEU A 40 -0.835 -7.380 8.992 1.00 4.00 H new ATOM 0 HD23 LEU A 40 -0.855 -5.993 7.877 1.00 4.00 H new ATOM 564 N VAL A 41 2.685 -7.444 4.093 1.00 74.43 N ATOM 565 CA VAL A 41 2.574 -6.924 2.725 1.00 14.44 C ATOM 566 C VAL A 41 2.479 -8.063 1.702 1.00 10.32 C ATOM 567 O VAL A 41 2.090 -7.852 0.555 1.00 45.23 O ATOM 568 CB VAL A 41 3.781 -6.007 2.378 1.00 23.41 C ATOM 569 CG1 VAL A 41 3.624 -5.368 0.997 1.00 3.44 C ATOM 570 CG2 VAL A 41 3.969 -4.938 3.457 1.00 25.25 C ATOM 0 H VAL A 41 3.564 -7.208 4.554 1.00 74.43 H new ATOM 0 HA VAL A 41 1.658 -6.336 2.676 1.00 14.44 H new ATOM 0 HB VAL A 41 4.675 -6.630 2.348 1.00 23.41 H new ATOM 0 HG11 VAL A 41 4.486 -4.734 0.789 1.00 3.44 H new ATOM 0 HG12 VAL A 41 3.557 -6.149 0.240 1.00 3.44 H new ATOM 0 HG13 VAL A 41 2.717 -4.764 0.976 1.00 3.44 H new ATOM 0 HG21 VAL A 41 4.818 -4.305 3.198 1.00 25.25 H new ATOM 0 HG22 VAL A 41 3.069 -4.327 3.525 1.00 25.25 H new ATOM 0 HG23 VAL A 41 4.155 -5.419 4.417 1.00 25.25 H new ATOM 580 N TYR A 42 2.821 -9.277 2.131 1.00 23.34 N ATOM 581 CA TYR A 42 2.725 -10.450 1.264 1.00 3.21 C ATOM 582 C TYR A 42 1.253 -10.776 1.025 1.00 74.33 C ATOM 583 O TYR A 42 0.883 -11.412 0.030 1.00 72.03 O ATOM 584 CB TYR A 42 3.454 -11.651 1.890 1.00 21.33 C ATOM 585 CG TYR A 42 3.457 -12.893 1.013 1.00 22.21 C ATOM 586 CD1 TYR A 42 4.323 -12.995 -0.072 1.00 60.54 C ATOM 587 CD2 TYR A 42 2.590 -13.954 1.259 1.00 51.22 C ATOM 588 CE1 TYR A 42 4.327 -14.115 -0.880 1.00 10.44 C ATOM 589 CE2 TYR A 42 2.592 -15.079 0.454 1.00 72.41 C ATOM 590 CZ TYR A 42 3.461 -15.153 -0.615 1.00 25.42 C ATOM 591 OH TYR A 42 3.462 -16.273 -1.417 1.00 64.14 O ATOM 0 H TYR A 42 3.166 -9.474 3.071 1.00 23.34 H new ATOM 0 HA TYR A 42 3.205 -10.233 0.310 1.00 3.21 H new ATOM 0 HB2 TYR A 42 4.484 -11.367 2.105 1.00 21.33 H new ATOM 0 HB3 TYR A 42 2.984 -11.892 2.844 1.00 21.33 H new ATOM 0 HD1 TYR A 42 5.004 -12.184 -0.286 1.00 60.54 H new ATOM 0 HD2 TYR A 42 1.905 -13.898 2.092 1.00 51.22 H new ATOM 0 HE1 TYR A 42 5.007 -14.177 -1.717 1.00 10.44 H new ATOM 0 HE2 TYR A 42 1.916 -15.896 0.661 1.00 72.41 H new ATOM 0 HH TYR A 42 2.792 -16.909 -1.091 1.00 64.14 H new ATOM 601 N GLY A 43 0.420 -10.319 1.953 1.00 61.15 N ATOM 602 CA GLY A 43 -1.007 -10.471 1.828 1.00 53.14 C ATOM 603 C GLY A 43 -1.603 -9.347 1.010 1.00 32.22 C ATOM 604 O GLY A 43 -1.845 -8.256 1.523 1.00 31.12 O ATOM 0 H GLY A 43 0.720 -9.839 2.801 1.00 61.15 H new ATOM 0 HA2 GLY A 43 -1.234 -11.428 1.358 1.00 53.14 H new ATOM 0 HA3 GLY A 43 -1.463 -10.486 2.818 1.00 53.14 H new ATOM 608 N LEU A 44 -1.785 -9.595 -0.273 1.00 25.24 N ATOM 609 CA LEU A 44 -2.466 -8.656 -1.152 1.00 3.11 C ATOM 610 C LEU A 44 -3.238 -9.432 -2.210 1.00 12.30 C ATOM 611 O LEU A 44 -2.719 -10.383 -2.801 1.00 33.42 O ATOM 612 CB LEU A 44 -1.491 -7.610 -1.770 1.00 2.32 C ATOM 613 CG LEU A 44 -0.410 -8.086 -2.778 1.00 62.52 C ATOM 614 CD1 LEU A 44 0.326 -9.325 -2.287 1.00 63.30 C ATOM 615 CD2 LEU A 44 -0.992 -8.303 -4.175 1.00 52.43 C ATOM 0 H LEU A 44 -1.468 -10.447 -0.736 1.00 25.24 H new ATOM 0 HA LEU A 44 -3.174 -8.073 -0.563 1.00 3.11 H new ATOM 0 HB2 LEU A 44 -2.095 -6.853 -2.270 1.00 2.32 H new ATOM 0 HB3 LEU A 44 -0.977 -7.114 -0.947 1.00 2.32 H new ATOM 0 HG LEU A 44 0.324 -7.283 -2.850 1.00 62.52 H new ATOM 0 HD11 LEU A 44 1.072 -9.621 -3.024 1.00 63.30 H new ATOM 0 HD12 LEU A 44 0.819 -9.104 -1.340 1.00 63.30 H new ATOM 0 HD13 LEU A 44 -0.386 -10.138 -2.144 1.00 63.30 H new ATOM 0 HD21 LEU A 44 -0.203 -8.636 -4.850 1.00 52.43 H new ATOM 0 HD22 LEU A 44 -1.774 -9.061 -4.130 1.00 52.43 H new ATOM 0 HD23 LEU A 44 -1.414 -7.368 -4.543 1.00 52.43 H new ATOM 627 N ASP A 45 -4.488 -9.050 -2.410 1.00 30.21 N ATOM 628 CA ASP A 45 -5.374 -9.734 -3.337 1.00 20.22 C ATOM 629 C ASP A 45 -6.060 -8.710 -4.224 1.00 41.14 C ATOM 630 O ASP A 45 -6.894 -7.933 -3.759 1.00 2.34 O ATOM 631 CB ASP A 45 -6.413 -10.562 -2.560 1.00 61.04 C ATOM 632 CG ASP A 45 -7.464 -11.207 -3.453 1.00 24.51 C ATOM 633 OD1 ASP A 45 -8.672 -10.976 -3.218 1.00 43.44 O ATOM 634 OD2 ASP A 45 -7.088 -11.960 -4.376 1.00 74.40 O ATOM 0 H ASP A 45 -4.917 -8.257 -1.934 1.00 30.21 H new ATOM 0 HA ASP A 45 -4.795 -10.414 -3.962 1.00 20.22 H new ATOM 0 HB2 ASP A 45 -5.898 -11.341 -1.997 1.00 61.04 H new ATOM 0 HB3 ASP A 45 -6.910 -9.919 -1.834 1.00 61.04 H new ATOM 639 N VAL A 46 -5.677 -8.679 -5.487 1.00 32.23 N ATOM 640 CA VAL A 46 -6.252 -7.735 -6.427 1.00 43.11 C ATOM 641 C VAL A 46 -7.424 -8.396 -7.153 1.00 74.21 C ATOM 642 O VAL A 46 -7.255 -9.383 -7.872 1.00 31.52 O ATOM 643 CB VAL A 46 -5.187 -7.199 -7.431 1.00 13.10 C ATOM 644 CG1 VAL A 46 -3.994 -6.609 -6.681 1.00 14.35 C ATOM 645 CG2 VAL A 46 -4.718 -8.283 -8.390 1.00 2.50 C ATOM 0 H VAL A 46 -4.970 -9.297 -5.886 1.00 32.23 H new ATOM 0 HA VAL A 46 -6.619 -6.869 -5.875 1.00 43.11 H new ATOM 0 HB VAL A 46 -5.662 -6.415 -8.021 1.00 13.10 H new ATOM 0 HG11 VAL A 46 -3.260 -6.240 -7.397 1.00 14.35 H new ATOM 0 HG12 VAL A 46 -4.331 -5.786 -6.050 1.00 14.35 H new ATOM 0 HG13 VAL A 46 -3.538 -7.379 -6.059 1.00 14.35 H new ATOM 0 HG21 VAL A 46 -3.976 -7.869 -9.073 1.00 2.50 H new ATOM 0 HG22 VAL A 46 -4.273 -9.102 -7.824 1.00 2.50 H new ATOM 0 HG23 VAL A 46 -5.568 -8.657 -8.961 1.00 2.50 H new ATOM 655 N GLN A 47 -8.619 -7.874 -6.929 1.00 23.35 N ATOM 656 CA GLN A 47 -9.827 -8.470 -7.490 1.00 1.50 C ATOM 657 C GLN A 47 -10.239 -7.744 -8.762 1.00 53.25 C ATOM 658 O GLN A 47 -10.417 -6.522 -8.766 1.00 63.34 O ATOM 659 CB GLN A 47 -10.977 -8.444 -6.472 1.00 2.11 C ATOM 660 CG GLN A 47 -10.732 -9.315 -5.244 1.00 60.11 C ATOM 661 CD GLN A 47 -11.946 -9.410 -4.332 1.00 32.04 C ATOM 662 OE1 GLN A 47 -12.752 -8.482 -4.245 1.00 4.12 O ATOM 663 NE2 GLN A 47 -12.081 -10.532 -3.645 1.00 12.15 N ATOM 0 H GLN A 47 -8.781 -7.040 -6.364 1.00 23.35 H new ATOM 0 HA GLN A 47 -9.606 -9.509 -7.733 1.00 1.50 H new ATOM 0 HB2 GLN A 47 -11.141 -7.416 -6.150 1.00 2.11 H new ATOM 0 HB3 GLN A 47 -11.892 -8.774 -6.963 1.00 2.11 H new ATOM 0 HG2 GLN A 47 -10.447 -10.317 -5.566 1.00 60.11 H new ATOM 0 HG3 GLN A 47 -9.891 -8.911 -4.680 1.00 60.11 H new ATOM 0 HE21 GLN A 47 -11.392 -11.277 -3.745 1.00 12.15 H new ATOM 0 HE22 GLN A 47 -12.874 -10.652 -3.015 1.00 12.15 H new ATOM 672 N ASP A 48 -10.370 -8.497 -9.847 1.00 14.51 N ATOM 673 CA ASP A 48 -10.801 -7.931 -11.117 1.00 40.52 C ATOM 674 C ASP A 48 -12.307 -7.772 -11.121 1.00 22.32 C ATOM 675 O ASP A 48 -13.055 -8.680 -11.497 1.00 62.10 O ATOM 676 CB ASP A 48 -10.356 -8.803 -12.282 1.00 23.31 C ATOM 677 CG ASP A 48 -10.681 -8.187 -13.635 1.00 51.23 C ATOM 678 OD1 ASP A 48 -10.006 -7.209 -14.026 1.00 35.41 O ATOM 679 OD2 ASP A 48 -11.601 -8.684 -14.322 1.00 32.51 O ATOM 0 H ASP A 48 -10.184 -9.500 -9.872 1.00 14.51 H new ATOM 0 HA ASP A 48 -10.337 -6.952 -11.236 1.00 40.52 H new ATOM 0 HB2 ASP A 48 -9.281 -8.973 -12.214 1.00 23.31 H new ATOM 0 HB3 ASP A 48 -10.838 -9.778 -12.206 1.00 23.31 H new ATOM 684 N GLY A 49 -12.734 -6.623 -10.655 1.00 72.35 N ATOM 685 CA GLY A 49 -14.145 -6.311 -10.577 1.00 11.24 C ATOM 686 C GLY A 49 -14.683 -5.843 -11.910 1.00 30.45 C ATOM 687 O GLY A 49 -13.908 -5.500 -12.806 1.00 3.14 O ATOM 0 H GLY A 49 -12.120 -5.881 -10.321 1.00 72.35 H new ATOM 0 HA2 GLY A 49 -14.696 -7.193 -10.250 1.00 11.24 H new ATOM 0 HA3 GLY A 49 -14.307 -5.538 -9.826 1.00 11.24 H new ATOM 691 N ASP A 50 -16.003 -5.832 -12.047 1.00 61.41 N ATOM 692 CA ASP A 50 -16.652 -5.409 -13.286 1.00 41.25 C ATOM 693 C ASP A 50 -16.211 -4.001 -13.668 1.00 61.15 C ATOM 694 O ASP A 50 -16.014 -3.694 -14.849 1.00 61.22 O ATOM 695 CB ASP A 50 -18.177 -5.465 -13.136 1.00 0.34 C ATOM 696 CG ASP A 50 -18.902 -5.106 -14.423 1.00 13.43 C ATOM 697 OD1 ASP A 50 -19.519 -4.023 -14.490 1.00 43.10 O ATOM 698 OD2 ASP A 50 -18.857 -5.913 -15.376 1.00 54.42 O ATOM 0 H ASP A 50 -16.651 -6.113 -11.311 1.00 61.41 H new ATOM 0 HA ASP A 50 -16.354 -6.093 -14.081 1.00 41.25 H new ATOM 0 HB2 ASP A 50 -18.472 -6.467 -12.824 1.00 0.34 H new ATOM 0 HB3 ASP A 50 -18.486 -4.781 -12.346 1.00 0.34 H new ATOM 703 N GLU A 51 -16.034 -3.156 -12.656 1.00 75.32 N ATOM 704 CA GLU A 51 -15.580 -1.785 -12.862 1.00 2.51 C ATOM 705 C GLU A 51 -14.108 -1.776 -13.275 1.00 43.23 C ATOM 706 O GLU A 51 -13.698 -1.019 -14.158 1.00 72.02 O ATOM 707 CB GLU A 51 -15.761 -0.952 -11.580 1.00 11.44 C ATOM 708 CG GLU A 51 -17.210 -0.789 -11.114 1.00 62.33 C ATOM 709 CD GLU A 51 -17.883 -2.105 -10.752 1.00 72.42 C ATOM 710 OE1 GLU A 51 -19.031 -2.329 -11.185 1.00 61.10 O ATOM 711 OE2 GLU A 51 -17.264 -2.926 -10.041 1.00 30.11 O ATOM 0 H GLU A 51 -16.199 -3.399 -11.679 1.00 75.32 H new ATOM 0 HA GLU A 51 -16.182 -1.342 -13.655 1.00 2.51 H new ATOM 0 HB2 GLU A 51 -15.187 -1.417 -10.778 1.00 11.44 H new ATOM 0 HB3 GLU A 51 -15.334 0.038 -11.744 1.00 11.44 H new ATOM 0 HG2 GLU A 51 -17.232 -0.128 -10.247 1.00 62.33 H new ATOM 0 HG3 GLU A 51 -17.784 -0.301 -11.902 1.00 62.33 H new ATOM 718 N GLY A 52 -13.329 -2.650 -12.649 1.00 64.21 N ATOM 719 CA GLY A 52 -11.905 -2.721 -12.905 1.00 3.31 C ATOM 720 C GLY A 52 -11.185 -3.506 -11.829 1.00 54.24 C ATOM 721 O GLY A 52 -11.814 -4.017 -10.899 1.00 4.34 O ATOM 0 H GLY A 52 -13.666 -3.320 -11.958 1.00 64.21 H new ATOM 0 HA2 GLY A 52 -11.732 -3.188 -13.875 1.00 3.31 H new ATOM 0 HA3 GLY A 52 -11.493 -1.713 -12.958 1.00 3.31 H new ATOM 725 N THR A 53 -9.871 -3.606 -11.948 1.00 62.31 N ATOM 726 CA THR A 53 -9.068 -4.350 -10.988 1.00 45.45 C ATOM 727 C THR A 53 -8.781 -3.498 -9.751 1.00 33.32 C ATOM 728 O THR A 53 -8.074 -2.491 -9.828 1.00 14.12 O ATOM 729 CB THR A 53 -7.738 -4.804 -11.626 1.00 73.12 C ATOM 730 OG1 THR A 53 -8.004 -5.458 -12.877 1.00 32.52 O ATOM 731 CG2 THR A 53 -6.980 -5.755 -10.703 1.00 70.03 C ATOM 0 H THR A 53 -9.335 -3.179 -12.703 1.00 62.31 H new ATOM 0 HA THR A 53 -9.635 -5.231 -10.688 1.00 45.45 H new ATOM 0 HB THR A 53 -7.119 -3.922 -11.791 1.00 73.12 H new ATOM 0 HG1 THR A 53 -8.825 -5.988 -12.801 1.00 32.52 H new ATOM 0 HG21 THR A 53 -6.047 -6.058 -11.179 1.00 70.03 H new ATOM 0 HG22 THR A 53 -6.760 -5.251 -9.762 1.00 70.03 H new ATOM 0 HG23 THR A 53 -7.591 -6.636 -10.508 1.00 70.03 H new ATOM 739 N VAL A 54 -9.358 -3.892 -8.622 1.00 34.25 N ATOM 740 CA VAL A 54 -9.140 -3.201 -7.353 1.00 61.11 C ATOM 741 C VAL A 54 -8.174 -4.005 -6.483 1.00 21.32 C ATOM 742 O VAL A 54 -8.405 -5.181 -6.210 1.00 73.33 O ATOM 743 CB VAL A 54 -10.472 -2.984 -6.590 1.00 74.01 C ATOM 744 CG1 VAL A 54 -10.239 -2.221 -5.286 1.00 21.44 C ATOM 745 CG2 VAL A 54 -11.483 -2.250 -7.474 1.00 20.44 C ATOM 0 H VAL A 54 -9.986 -4.693 -8.558 1.00 34.25 H new ATOM 0 HA VAL A 54 -8.711 -2.223 -7.573 1.00 61.11 H new ATOM 0 HB VAL A 54 -10.881 -3.962 -6.337 1.00 74.01 H new ATOM 0 HG11 VAL A 54 -11.189 -2.082 -4.771 1.00 21.44 H new ATOM 0 HG12 VAL A 54 -9.560 -2.788 -4.649 1.00 21.44 H new ATOM 0 HG13 VAL A 54 -9.801 -1.248 -5.507 1.00 21.44 H new ATOM 0 HG21 VAL A 54 -12.412 -2.106 -6.922 1.00 20.44 H new ATOM 0 HG22 VAL A 54 -11.078 -1.280 -7.762 1.00 20.44 H new ATOM 0 HG23 VAL A 54 -11.680 -2.840 -8.369 1.00 20.44 H new ATOM 755 N ALA A 55 -7.091 -3.365 -6.059 1.00 73.54 N ATOM 756 CA ALA A 55 -6.043 -4.042 -5.298 1.00 23.13 C ATOM 757 C ALA A 55 -6.338 -3.999 -3.795 1.00 31.22 C ATOM 758 O ALA A 55 -6.204 -2.950 -3.163 1.00 5.32 O ATOM 759 CB ALA A 55 -4.691 -3.393 -5.589 1.00 53.30 C ATOM 0 H ALA A 55 -6.913 -2.375 -6.229 1.00 73.54 H new ATOM 0 HA ALA A 55 -6.015 -5.087 -5.606 1.00 23.13 H new ATOM 0 HB1 ALA A 55 -3.913 -3.901 -5.019 1.00 53.30 H new ATOM 0 HB2 ALA A 55 -4.471 -3.472 -6.654 1.00 53.30 H new ATOM 0 HB3 ALA A 55 -4.723 -2.342 -5.302 1.00 53.30 H new ATOM 765 N LEU A 56 -6.745 -5.131 -3.227 1.00 44.14 N ATOM 766 CA LEU A 56 -7.018 -5.214 -1.792 1.00 3.42 C ATOM 767 C LEU A 56 -5.743 -5.590 -1.041 1.00 42.02 C ATOM 768 O LEU A 56 -5.342 -6.753 -1.034 1.00 71.42 O ATOM 769 CB LEU A 56 -8.110 -6.257 -1.508 1.00 42.53 C ATOM 770 CG LEU A 56 -9.329 -6.210 -2.443 1.00 1.41 C ATOM 771 CD1 LEU A 56 -10.363 -7.252 -2.034 1.00 74.11 C ATOM 772 CD2 LEU A 56 -9.951 -4.818 -2.467 1.00 21.25 C ATOM 0 H LEU A 56 -6.893 -6.003 -3.736 1.00 44.14 H new ATOM 0 HA LEU A 56 -7.367 -4.239 -1.451 1.00 3.42 H new ATOM 0 HB2 LEU A 56 -7.665 -7.250 -1.570 1.00 42.53 H new ATOM 0 HB3 LEU A 56 -8.455 -6.126 -0.482 1.00 42.53 H new ATOM 0 HG LEU A 56 -8.986 -6.442 -3.451 1.00 1.41 H new ATOM 0 HD11 LEU A 56 -11.217 -7.201 -2.709 1.00 74.11 H new ATOM 0 HD12 LEU A 56 -9.918 -8.246 -2.086 1.00 74.11 H new ATOM 0 HD13 LEU A 56 -10.694 -7.055 -1.014 1.00 74.11 H new ATOM 0 HD21 LEU A 56 -10.811 -4.815 -3.137 1.00 21.25 H new ATOM 0 HD22 LEU A 56 -10.273 -4.546 -1.462 1.00 21.25 H new ATOM 0 HD23 LEU A 56 -9.214 -4.096 -2.820 1.00 21.25 H new ATOM 784 N ILE A 57 -5.108 -4.606 -0.422 1.00 4.23 N ATOM 785 CA ILE A 57 -3.840 -4.814 0.274 1.00 15.55 C ATOM 786 C ILE A 57 -4.075 -5.021 1.771 1.00 10.12 C ATOM 787 O ILE A 57 -4.822 -4.265 2.400 1.00 73.24 O ATOM 788 CB ILE A 57 -2.887 -3.610 0.062 1.00 5.11 C ATOM 789 CG1 ILE A 57 -2.720 -3.321 -1.442 1.00 51.03 C ATOM 790 CG2 ILE A 57 -1.529 -3.876 0.713 1.00 51.31 C ATOM 791 CD1 ILE A 57 -1.843 -2.122 -1.747 1.00 14.14 C ATOM 0 H ILE A 57 -5.451 -3.646 -0.386 1.00 4.23 H new ATOM 0 HA ILE A 57 -3.376 -5.708 -0.143 1.00 15.55 H new ATOM 0 HB ILE A 57 -3.326 -2.733 0.538 1.00 5.11 H new ATOM 0 HG12 ILE A 57 -2.295 -4.201 -1.925 1.00 51.03 H new ATOM 0 HG13 ILE A 57 -3.704 -3.159 -1.882 1.00 51.03 H new ATOM 0 HG21 ILE A 57 -0.875 -3.019 0.553 1.00 51.31 H new ATOM 0 HG22 ILE A 57 -1.663 -4.035 1.783 1.00 51.31 H new ATOM 0 HG23 ILE A 57 -1.080 -4.764 0.268 1.00 51.31 H new ATOM 0 HD11 ILE A 57 -1.776 -1.986 -2.826 1.00 14.14 H new ATOM 0 HD12 ILE A 57 -2.276 -1.230 -1.295 1.00 14.14 H new ATOM 0 HD13 ILE A 57 -0.846 -2.288 -1.339 1.00 14.14 H new ATOM 803 N ASP A 58 -3.445 -6.051 2.327 1.00 73.14 N ATOM 804 CA ASP A 58 -3.557 -6.361 3.752 1.00 61.24 C ATOM 805 C ASP A 58 -2.409 -5.715 4.520 1.00 2.20 C ATOM 806 O ASP A 58 -1.246 -6.072 4.331 1.00 11.33 O ATOM 807 CB ASP A 58 -3.555 -7.882 3.975 1.00 72.04 C ATOM 808 CG ASP A 58 -4.790 -8.557 3.392 1.00 43.20 C ATOM 809 OD1 ASP A 58 -4.750 -9.018 2.231 1.00 64.41 O ATOM 810 OD2 ASP A 58 -5.826 -8.607 4.083 1.00 74.03 O ATOM 0 H ASP A 58 -2.845 -6.692 1.808 1.00 73.14 H new ATOM 0 HA ASP A 58 -4.500 -5.959 4.122 1.00 61.24 H new ATOM 0 HB2 ASP A 58 -2.662 -8.312 3.522 1.00 72.04 H new ATOM 0 HB3 ASP A 58 -3.501 -8.090 5.044 1.00 72.04 H new ATOM 815 N MET A 59 -2.735 -4.747 5.370 1.00 61.24 N ATOM 816 CA MET A 59 -1.728 -4.019 6.146 1.00 54.43 C ATOM 817 C MET A 59 -2.232 -3.747 7.561 1.00 73.34 C ATOM 818 O MET A 59 -3.392 -4.018 7.884 1.00 25.14 O ATOM 819 CB MET A 59 -1.357 -2.691 5.464 1.00 41.52 C ATOM 820 CG MET A 59 -0.607 -2.848 4.143 1.00 72.34 C ATOM 821 SD MET A 59 -0.195 -1.263 3.378 1.00 50.01 S ATOM 822 CE MET A 59 0.835 -0.516 4.641 1.00 42.34 C ATOM 0 H MET A 59 -3.694 -4.444 5.542 1.00 61.24 H new ATOM 0 HA MET A 59 -0.837 -4.644 6.199 1.00 54.43 H new ATOM 0 HB2 MET A 59 -2.269 -2.122 5.285 1.00 41.52 H new ATOM 0 HB3 MET A 59 -0.744 -2.104 6.148 1.00 41.52 H new ATOM 0 HG2 MET A 59 0.310 -3.412 4.316 1.00 72.34 H new ATOM 0 HG3 MET A 59 -1.215 -3.432 3.452 1.00 72.34 H new ATOM 0 HE1 MET A 59 1.428 0.285 4.200 1.00 42.34 H new ATOM 0 HE2 MET A 59 0.204 -0.108 5.431 1.00 42.34 H new ATOM 0 HE3 MET A 59 1.500 -1.270 5.061 1.00 42.34 H new ATOM 832 N THR A 60 -1.334 -3.257 8.410 1.00 25.44 N ATOM 833 CA THR A 60 -1.684 -2.822 9.752 1.00 33.31 C ATOM 834 C THR A 60 -0.569 -1.943 10.314 1.00 45.30 C ATOM 835 O THR A 60 0.553 -1.945 9.797 1.00 22.04 O ATOM 836 CB THR A 60 -1.936 -4.022 10.704 1.00 12.05 C ATOM 837 OG1 THR A 60 -2.402 -3.551 11.977 1.00 65.23 O ATOM 838 CG2 THR A 60 -0.673 -4.858 10.902 1.00 60.42 C ATOM 0 H THR A 60 -0.345 -3.152 8.184 1.00 25.44 H new ATOM 0 HA THR A 60 -2.611 -2.253 9.685 1.00 33.31 H new ATOM 0 HB THR A 60 -2.695 -4.655 10.243 1.00 12.05 H new ATOM 0 HG1 THR A 60 -1.873 -3.963 12.692 1.00 65.23 H new ATOM 0 HG21 THR A 60 -0.888 -5.689 11.574 1.00 60.42 H new ATOM 0 HG22 THR A 60 -0.339 -5.247 9.940 1.00 60.42 H new ATOM 0 HG23 THR A 60 0.111 -4.236 11.333 1.00 60.42 H new ATOM 846 N LEU A 61 -0.889 -1.181 11.352 1.00 33.42 N ATOM 847 CA LEU A 61 0.092 -0.341 12.035 1.00 1.33 C ATOM 848 C LEU A 61 0.429 -0.970 13.385 1.00 1.41 C ATOM 849 O LEU A 61 -0.229 -1.927 13.799 1.00 41.05 O ATOM 850 CB LEU A 61 -0.444 1.095 12.234 1.00 24.22 C ATOM 851 CG LEU A 61 -0.757 1.905 10.953 1.00 34.24 C ATOM 852 CD1 LEU A 61 0.435 1.912 9.995 1.00 21.22 C ATOM 853 CD2 LEU A 61 -2.019 1.386 10.262 1.00 25.35 C ATOM 0 H LEU A 61 -1.829 -1.126 11.744 1.00 33.42 H new ATOM 0 HA LEU A 61 0.990 -0.276 11.421 1.00 1.33 H new ATOM 0 HB2 LEU A 61 -1.354 1.039 12.831 1.00 24.22 H new ATOM 0 HB3 LEU A 61 0.287 1.653 12.819 1.00 24.22 H new ATOM 0 HG LEU A 61 -0.945 2.936 11.254 1.00 34.24 H new ATOM 0 HD11 LEU A 61 0.183 2.489 9.105 1.00 21.22 H new ATOM 0 HD12 LEU A 61 1.296 2.363 10.489 1.00 21.22 H new ATOM 0 HD13 LEU A 61 0.677 0.889 9.707 1.00 21.22 H new ATOM 0 HD21 LEU A 61 -2.212 1.976 9.366 1.00 25.35 H new ATOM 0 HD22 LEU A 61 -1.879 0.341 9.986 1.00 25.35 H new ATOM 0 HD23 LEU A 61 -2.867 1.471 10.942 1.00 25.35 H new ATOM 865 N THR A 62 1.435 -0.423 14.071 1.00 13.25 N ATOM 866 CA THR A 62 1.847 -0.915 15.390 1.00 35.44 C ATOM 867 C THR A 62 0.638 -1.179 16.293 1.00 10.21 C ATOM 868 O THR A 62 0.451 -2.288 16.800 1.00 52.02 O ATOM 869 CB THR A 62 2.777 0.105 16.086 1.00 51.22 C ATOM 870 OG1 THR A 62 2.175 1.407 16.031 1.00 73.54 O ATOM 871 CG2 THR A 62 4.156 0.148 15.433 1.00 62.52 C ATOM 0 H THR A 62 1.984 0.367 13.732 1.00 13.25 H new ATOM 0 HA THR A 62 2.380 -1.852 15.230 1.00 35.44 H new ATOM 0 HB THR A 62 2.910 -0.206 17.122 1.00 51.22 H new ATOM 0 HG1 THR A 62 2.761 2.057 16.473 1.00 73.54 H new ATOM 0 HG21 THR A 62 4.781 0.876 15.950 1.00 62.52 H new ATOM 0 HG22 THR A 62 4.619 -0.837 15.496 1.00 62.52 H new ATOM 0 HG23 THR A 62 4.054 0.435 14.386 1.00 62.52 H new ATOM 879 N SER A 63 -0.176 -0.148 16.491 1.00 64.43 N ATOM 880 CA SER A 63 -1.386 -0.259 17.300 1.00 24.35 C ATOM 881 C SER A 63 -2.628 -0.315 16.409 1.00 24.24 C ATOM 882 O SER A 63 -3.749 -0.447 16.897 1.00 52.15 O ATOM 883 CB SER A 63 -1.475 0.927 18.272 1.00 41.02 C ATOM 884 OG SER A 63 -2.559 0.777 19.176 1.00 23.43 O ATOM 0 H SER A 63 -0.019 0.781 16.100 1.00 64.43 H new ATOM 0 HA SER A 63 -1.339 -1.184 17.874 1.00 24.35 H new ATOM 0 HB2 SER A 63 -0.543 1.012 18.831 1.00 41.02 H new ATOM 0 HB3 SER A 63 -1.595 1.853 17.709 1.00 41.02 H new ATOM 0 HG SER A 63 -3.303 0.328 18.723 1.00 23.43 H new ATOM 890 N ALA A 64 -2.410 -0.208 15.098 1.00 40.25 N ATOM 891 CA ALA A 64 -3.494 -0.199 14.106 1.00 54.53 C ATOM 892 C ALA A 64 -4.442 0.992 14.300 1.00 33.44 C ATOM 893 O ALA A 64 -5.485 1.078 13.651 1.00 41.32 O ATOM 894 CB ALA A 64 -4.267 -1.518 14.139 1.00 21.31 C ATOM 0 H ALA A 64 -1.479 -0.125 14.690 1.00 40.25 H new ATOM 0 HA ALA A 64 -3.034 -0.089 13.124 1.00 54.53 H new ATOM 0 HB1 ALA A 64 -5.065 -1.491 13.397 1.00 21.31 H new ATOM 0 HB2 ALA A 64 -3.590 -2.342 13.914 1.00 21.31 H new ATOM 0 HB3 ALA A 64 -4.698 -1.663 15.130 1.00 21.31 H new ATOM 900 N ALA A 65 -4.064 1.917 15.181 1.00 34.14 N ATOM 901 CA ALA A 65 -4.862 3.115 15.443 1.00 4.33 C ATOM 902 C ALA A 65 -4.105 4.368 15.004 1.00 63.13 C ATOM 903 O ALA A 65 -4.661 5.466 14.972 1.00 4.21 O ATOM 904 CB ALA A 65 -5.214 3.197 16.925 1.00 5.33 C ATOM 0 H ALA A 65 -3.205 1.859 15.728 1.00 34.14 H new ATOM 0 HA ALA A 65 -5.785 3.053 14.867 1.00 4.33 H new ATOM 0 HB1 ALA A 65 -5.808 4.092 17.109 1.00 5.33 H new ATOM 0 HB2 ALA A 65 -5.788 2.316 17.212 1.00 5.33 H new ATOM 0 HB3 ALA A 65 -4.298 3.242 17.515 1.00 5.33 H new ATOM 910 N CYS A 66 -2.836 4.176 14.653 1.00 32.52 N ATOM 911 CA CYS A 66 -1.946 5.271 14.285 1.00 74.23 C ATOM 912 C CYS A 66 -2.518 6.073 13.108 1.00 22.11 C ATOM 913 O CYS A 66 -3.044 5.493 12.156 1.00 42.43 O ATOM 914 CB CYS A 66 -0.573 4.694 13.921 1.00 4.21 C ATOM 915 SG CYS A 66 0.000 3.418 15.069 1.00 24.34 S ATOM 0 H CYS A 66 -2.397 3.256 14.616 1.00 32.52 H new ATOM 0 HA CYS A 66 -1.848 5.951 15.131 1.00 74.23 H new ATOM 0 HB2 CYS A 66 -0.619 4.274 12.916 1.00 4.21 H new ATOM 0 HB3 CYS A 66 0.157 5.503 13.895 1.00 4.21 H new ATOM 0 HG CYS A 66 1.298 3.444 15.134 1.00 24.34 H new ATOM 921 N PRO A 67 -2.393 7.415 13.140 1.00 21.04 N ATOM 922 CA PRO A 67 -2.941 8.298 12.094 1.00 5.50 C ATOM 923 C PRO A 67 -2.163 8.211 10.776 1.00 42.51 C ATOM 924 O PRO A 67 -2.269 9.086 9.921 1.00 14.13 O ATOM 925 CB PRO A 67 -2.809 9.695 12.713 1.00 71.43 C ATOM 926 CG PRO A 67 -1.645 9.582 13.638 1.00 34.52 C ATOM 927 CD PRO A 67 -1.705 8.184 14.201 1.00 51.13 C ATOM 0 HA PRO A 67 -3.962 8.028 11.826 1.00 5.50 H new ATOM 0 HB2 PRO A 67 -2.637 10.453 11.949 1.00 71.43 H new ATOM 0 HB3 PRO A 67 -3.715 9.980 13.248 1.00 71.43 H new ATOM 0 HG2 PRO A 67 -0.707 9.751 13.109 1.00 34.52 H new ATOM 0 HG3 PRO A 67 -1.702 10.327 14.432 1.00 34.52 H new ATOM 0 HD2 PRO A 67 -0.709 7.789 14.402 1.00 51.13 H new ATOM 0 HD3 PRO A 67 -2.256 8.153 15.141 1.00 51.13 H new ATOM 935 N LEU A 68 -1.380 7.148 10.622 1.00 1.12 N ATOM 936 CA LEU A 68 -0.619 6.914 9.401 1.00 61.33 C ATOM 937 C LEU A 68 -1.447 6.111 8.402 1.00 62.34 C ATOM 938 O LEU A 68 -1.015 5.881 7.276 1.00 61.34 O ATOM 939 CB LEU A 68 0.685 6.168 9.727 1.00 52.50 C ATOM 940 CG LEU A 68 1.639 6.900 10.687 1.00 62.15 C ATOM 941 CD1 LEU A 68 2.857 6.038 10.999 1.00 52.34 C ATOM 942 CD2 LEU A 68 2.064 8.246 10.100 1.00 65.24 C ATOM 0 H LEU A 68 -1.256 6.429 11.335 1.00 1.12 H new ATOM 0 HA LEU A 68 -0.374 7.877 8.954 1.00 61.33 H new ATOM 0 HB2 LEU A 68 0.432 5.200 10.160 1.00 52.50 H new ATOM 0 HB3 LEU A 68 1.214 5.971 8.795 1.00 52.50 H new ATOM 0 HG LEU A 68 1.108 7.087 11.620 1.00 62.15 H new ATOM 0 HD11 LEU A 68 3.518 6.575 11.679 1.00 52.34 H new ATOM 0 HD12 LEU A 68 2.534 5.107 11.466 1.00 52.34 H new ATOM 0 HD13 LEU A 68 3.391 5.815 10.075 1.00 52.34 H new ATOM 0 HD21 LEU A 68 2.738 8.749 10.793 1.00 65.24 H new ATOM 0 HD22 LEU A 68 2.574 8.084 9.151 1.00 65.24 H new ATOM 0 HD23 LEU A 68 1.183 8.866 9.937 1.00 65.24 H new ATOM 954 N THR A 69 -2.640 5.697 8.822 1.00 63.42 N ATOM 955 CA THR A 69 -3.510 4.874 7.987 1.00 51.41 C ATOM 956 C THR A 69 -3.911 5.611 6.702 1.00 44.25 C ATOM 957 O THR A 69 -3.687 5.112 5.594 1.00 2.12 O ATOM 958 CB THR A 69 -4.769 4.412 8.765 1.00 53.23 C ATOM 959 OG1 THR A 69 -5.650 3.701 7.894 1.00 14.34 O ATOM 960 CG2 THR A 69 -5.512 5.584 9.402 1.00 61.14 C ATOM 0 H THR A 69 -3.027 5.919 9.739 1.00 63.42 H new ATOM 0 HA THR A 69 -2.942 3.987 7.706 1.00 51.41 H new ATOM 0 HB THR A 69 -4.432 3.756 9.568 1.00 53.23 H new ATOM 0 HG1 THR A 69 -5.852 2.823 8.279 1.00 14.34 H new ATOM 0 HG21 THR A 69 -6.387 5.213 9.936 1.00 61.14 H new ATOM 0 HG22 THR A 69 -4.851 6.098 10.100 1.00 61.14 H new ATOM 0 HG23 THR A 69 -5.829 6.279 8.625 1.00 61.14 H new ATOM 968 N ASP A 70 -4.462 6.811 6.847 1.00 73.44 N ATOM 969 CA ASP A 70 -4.879 7.603 5.694 1.00 72.54 C ATOM 970 C ASP A 70 -3.658 7.986 4.869 1.00 32.31 C ATOM 971 O ASP A 70 -3.742 8.155 3.651 1.00 12.32 O ATOM 972 CB ASP A 70 -5.639 8.860 6.140 1.00 43.43 C ATOM 973 CG ASP A 70 -4.814 9.750 7.054 1.00 13.42 C ATOM 974 OD1 ASP A 70 -4.254 10.759 6.573 1.00 43.12 O ATOM 975 OD2 ASP A 70 -4.716 9.437 8.260 1.00 51.34 O ATOM 0 H ASP A 70 -4.630 7.257 7.749 1.00 73.44 H new ATOM 0 HA ASP A 70 -5.552 7.003 5.082 1.00 72.54 H new ATOM 0 HB2 ASP A 70 -5.940 9.429 5.260 1.00 43.43 H new ATOM 0 HB3 ASP A 70 -6.552 8.564 6.656 1.00 43.43 H new ATOM 980 N VAL A 71 -2.519 8.097 5.549 1.00 63.21 N ATOM 981 CA VAL A 71 -1.259 8.412 4.894 1.00 40.03 C ATOM 982 C VAL A 71 -0.841 7.276 3.963 1.00 70.31 C ATOM 983 O VAL A 71 -0.590 7.503 2.781 1.00 0.14 O ATOM 984 CB VAL A 71 -0.129 8.677 5.926 1.00 75.53 C ATOM 985 CG1 VAL A 71 1.184 9.033 5.227 1.00 4.32 C ATOM 986 CG2 VAL A 71 -0.543 9.776 6.904 1.00 63.30 C ATOM 0 H VAL A 71 -2.447 7.972 6.559 1.00 63.21 H new ATOM 0 HA VAL A 71 -1.414 9.321 4.313 1.00 40.03 H new ATOM 0 HB VAL A 71 0.035 7.760 6.491 1.00 75.53 H new ATOM 0 HG11 VAL A 71 1.957 9.213 5.974 1.00 4.32 H new ATOM 0 HG12 VAL A 71 1.488 8.209 4.582 1.00 4.32 H new ATOM 0 HG13 VAL A 71 1.044 9.931 4.626 1.00 4.32 H new ATOM 0 HG21 VAL A 71 0.261 9.948 7.620 1.00 63.30 H new ATOM 0 HG22 VAL A 71 -0.743 10.696 6.354 1.00 63.30 H new ATOM 0 HG23 VAL A 71 -1.443 9.469 7.437 1.00 63.30 H new ATOM 996 N ILE A 72 -0.801 6.046 4.484 1.00 51.53 N ATOM 997 CA ILE A 72 -0.348 4.904 3.691 1.00 43.44 C ATOM 998 C ILE A 72 -1.344 4.559 2.580 1.00 73.01 C ATOM 999 O ILE A 72 -0.943 4.114 1.497 1.00 35.23 O ATOM 1000 CB ILE A 72 -0.021 3.655 4.572 1.00 41.32 C ATOM 1001 CG1 ILE A 72 -1.185 3.274 5.514 1.00 1.50 C ATOM 1002 CG2 ILE A 72 1.254 3.902 5.382 1.00 72.51 C ATOM 1003 CD1 ILE A 72 -2.269 2.429 4.878 1.00 71.32 C ATOM 0 H ILE A 72 -1.074 5.819 5.440 1.00 51.53 H new ATOM 0 HA ILE A 72 0.586 5.207 3.218 1.00 43.44 H new ATOM 0 HB ILE A 72 0.131 2.815 3.895 1.00 41.32 H new ATOM 0 HG12 ILE A 72 -0.779 2.734 6.370 1.00 1.50 H new ATOM 0 HG13 ILE A 72 -1.636 4.189 5.899 1.00 1.50 H new ATOM 0 HG21 ILE A 72 1.473 3.026 5.992 1.00 72.51 H new ATOM 0 HG22 ILE A 72 2.086 4.088 4.703 1.00 72.51 H new ATOM 0 HG23 ILE A 72 1.112 4.768 6.028 1.00 72.51 H new ATOM 0 HD11 ILE A 72 -3.042 2.213 5.616 1.00 71.32 H new ATOM 0 HD12 ILE A 72 -2.709 2.971 4.041 1.00 71.32 H new ATOM 0 HD13 ILE A 72 -1.838 1.494 4.519 1.00 71.32 H new ATOM 1015 N GLU A 73 -2.639 4.780 2.831 1.00 32.44 N ATOM 1016 CA GLU A 73 -3.638 4.622 1.777 1.00 23.31 C ATOM 1017 C GLU A 73 -3.399 5.651 0.678 1.00 63.45 C ATOM 1018 O GLU A 73 -3.429 5.323 -0.510 1.00 63.55 O ATOM 1019 CB GLU A 73 -5.071 4.750 2.311 1.00 64.31 C ATOM 1020 CG GLU A 73 -5.531 3.564 3.161 1.00 63.32 C ATOM 1021 CD GLU A 73 -7.013 3.257 2.987 1.00 11.23 C ATOM 1022 OE1 GLU A 73 -7.355 2.343 2.199 1.00 63.21 O ATOM 1023 OE2 GLU A 73 -7.849 3.934 3.628 1.00 53.35 O ATOM 0 H GLU A 73 -3.012 5.063 3.737 1.00 32.44 H new ATOM 0 HA GLU A 73 -3.530 3.616 1.372 1.00 23.31 H new ATOM 0 HB2 GLU A 73 -5.145 5.660 2.906 1.00 64.31 H new ATOM 0 HB3 GLU A 73 -5.752 4.864 1.468 1.00 64.31 H new ATOM 0 HG2 GLU A 73 -4.948 2.683 2.894 1.00 63.32 H new ATOM 0 HG3 GLU A 73 -5.328 3.774 4.211 1.00 63.32 H new ATOM 1030 N ASP A 74 -3.153 6.896 1.084 1.00 31.24 N ATOM 1031 CA ASP A 74 -2.853 7.970 0.139 1.00 74.15 C ATOM 1032 C ASP A 74 -1.631 7.622 -0.705 1.00 31.20 C ATOM 1033 O ASP A 74 -1.665 7.724 -1.927 1.00 34.21 O ATOM 1034 CB ASP A 74 -2.615 9.295 0.874 1.00 24.04 C ATOM 1035 CG ASP A 74 -2.107 10.390 -0.052 1.00 21.15 C ATOM 1036 OD1 ASP A 74 -0.877 10.622 -0.090 1.00 43.02 O ATOM 1037 OD2 ASP A 74 -2.931 11.014 -0.752 1.00 31.01 O ATOM 0 H ASP A 74 -3.156 7.186 2.062 1.00 31.24 H new ATOM 0 HA ASP A 74 -3.715 8.084 -0.518 1.00 74.15 H new ATOM 0 HB2 ASP A 74 -3.545 9.620 1.341 1.00 24.04 H new ATOM 0 HB3 ASP A 74 -1.894 9.138 1.676 1.00 24.04 H new ATOM 1042 N GLN A 75 -0.564 7.198 -0.037 1.00 11.21 N ATOM 1043 CA GLN A 75 0.690 6.844 -0.700 1.00 64.03 C ATOM 1044 C GLN A 75 0.462 5.758 -1.753 1.00 13.34 C ATOM 1045 O GLN A 75 0.783 5.938 -2.933 1.00 34.13 O ATOM 1046 CB GLN A 75 1.712 6.364 0.342 1.00 3.14 C ATOM 1047 CG GLN A 75 2.093 7.430 1.364 1.00 22.43 C ATOM 1048 CD GLN A 75 2.928 6.882 2.508 1.00 72.03 C ATOM 1049 OE1 GLN A 75 2.800 5.716 2.884 1.00 63.41 O ATOM 1050 NE2 GLN A 75 3.778 7.721 3.078 1.00 61.34 N ATOM 0 H GLN A 75 -0.542 7.089 0.977 1.00 11.21 H new ATOM 0 HA GLN A 75 1.078 7.730 -1.203 1.00 64.03 H new ATOM 0 HB2 GLN A 75 1.304 5.500 0.866 1.00 3.14 H new ATOM 0 HB3 GLN A 75 2.612 6.029 -0.173 1.00 3.14 H new ATOM 0 HG2 GLN A 75 2.648 8.224 0.864 1.00 22.43 H new ATOM 0 HG3 GLN A 75 1.186 7.881 1.767 1.00 22.43 H new ATOM 0 HE21 GLN A 75 3.855 8.679 2.737 1.00 61.34 H new ATOM 0 HE22 GLN A 75 4.357 7.409 3.858 1.00 61.34 H new ATOM 1059 N SER A 76 -0.114 4.639 -1.320 1.00 3.51 N ATOM 1060 CA SER A 76 -0.347 3.506 -2.207 1.00 1.21 C ATOM 1061 C SER A 76 -1.279 3.900 -3.361 1.00 14.33 C ATOM 1062 O SER A 76 -0.939 3.719 -4.533 1.00 73.54 O ATOM 1063 CB SER A 76 -0.925 2.327 -1.412 1.00 41.53 C ATOM 1064 OG SER A 76 -1.096 1.182 -2.231 1.00 43.23 O ATOM 0 H SER A 76 -0.427 4.494 -0.360 1.00 3.51 H new ATOM 0 HA SER A 76 0.605 3.199 -2.640 1.00 1.21 H new ATOM 0 HB2 SER A 76 -0.261 2.086 -0.582 1.00 41.53 H new ATOM 0 HB3 SER A 76 -1.884 2.613 -0.980 1.00 41.53 H new ATOM 0 HG SER A 76 -2.002 0.828 -2.114 1.00 43.23 H new ATOM 1070 N ARG A 77 -2.444 4.463 -3.025 1.00 32.01 N ATOM 1071 CA ARG A 77 -3.420 4.885 -4.035 1.00 55.35 C ATOM 1072 C ARG A 77 -2.796 5.860 -5.030 1.00 65.22 C ATOM 1073 O ARG A 77 -2.902 5.672 -6.240 1.00 2.23 O ATOM 1074 CB ARG A 77 -4.651 5.524 -3.367 1.00 63.03 C ATOM 1075 CG ARG A 77 -5.600 6.222 -4.341 1.00 32.51 C ATOM 1076 CD ARG A 77 -6.854 6.749 -3.644 1.00 2.12 C ATOM 1077 NE ARG A 77 -7.813 5.679 -3.340 1.00 1.34 N ATOM 1078 CZ ARG A 77 -8.559 5.614 -2.232 1.00 11.35 C ATOM 1079 NH1 ARG A 77 -8.440 6.530 -1.276 1.00 42.42 N ATOM 1080 NH2 ARG A 77 -9.427 4.624 -2.086 1.00 53.41 N ATOM 0 H ARG A 77 -2.734 4.637 -2.063 1.00 32.01 H new ATOM 0 HA ARG A 77 -3.738 3.997 -4.581 1.00 55.35 H new ATOM 0 HB2 ARG A 77 -5.202 4.751 -2.831 1.00 63.03 H new ATOM 0 HB3 ARG A 77 -4.313 6.247 -2.625 1.00 63.03 H new ATOM 0 HG2 ARG A 77 -5.079 7.049 -4.824 1.00 32.51 H new ATOM 0 HG3 ARG A 77 -5.889 5.525 -5.127 1.00 32.51 H new ATOM 0 HD2 ARG A 77 -6.569 7.252 -2.720 1.00 2.12 H new ATOM 0 HD3 ARG A 77 -7.334 7.495 -4.278 1.00 2.12 H new ATOM 0 HE ARG A 77 -7.918 4.930 -4.025 1.00 1.34 H new ATOM 0 HH11 ARG A 77 -7.773 7.295 -1.382 1.00 42.42 H new ATOM 0 HH12 ARG A 77 -9.015 6.468 -0.436 1.00 42.42 H new ATOM 0 HH21 ARG A 77 -9.523 3.918 -2.816 1.00 53.41 H new ATOM 0 HH22 ARG A 77 -9.999 4.568 -1.244 1.00 53.41 H new ATOM 1094 N SER A 78 -2.118 6.872 -4.509 1.00 32.50 N ATOM 1095 CA SER A 78 -1.559 7.938 -5.330 1.00 25.35 C ATOM 1096 C SER A 78 -0.678 7.372 -6.445 1.00 64.34 C ATOM 1097 O SER A 78 -0.849 7.721 -7.617 1.00 43.12 O ATOM 1098 CB SER A 78 -0.756 8.913 -4.460 1.00 64.03 C ATOM 1099 OG SER A 78 -0.325 10.045 -5.199 1.00 55.32 O ATOM 0 H SER A 78 -1.940 6.978 -3.510 1.00 32.50 H new ATOM 0 HA SER A 78 -2.386 8.476 -5.794 1.00 25.35 H new ATOM 0 HB2 SER A 78 -1.368 9.239 -3.619 1.00 64.03 H new ATOM 0 HB3 SER A 78 0.110 8.399 -4.043 1.00 64.03 H new ATOM 0 HG SER A 78 0.182 10.645 -4.613 1.00 55.32 H new ATOM 1105 N ALA A 79 0.257 6.493 -6.086 1.00 35.04 N ATOM 1106 CA ALA A 79 1.186 5.950 -7.071 1.00 1.11 C ATOM 1107 C ALA A 79 0.507 4.923 -7.977 1.00 63.14 C ATOM 1108 O ALA A 79 0.499 5.080 -9.200 1.00 44.03 O ATOM 1109 CB ALA A 79 2.392 5.326 -6.371 1.00 44.41 C ATOM 0 H ALA A 79 0.389 6.147 -5.136 1.00 35.04 H new ATOM 0 HA ALA A 79 1.525 6.773 -7.700 1.00 1.11 H new ATOM 0 HB1 ALA A 79 3.078 4.924 -7.117 1.00 44.41 H new ATOM 0 HB2 ALA A 79 2.903 6.086 -5.780 1.00 44.41 H new ATOM 0 HB3 ALA A 79 2.057 4.522 -5.716 1.00 44.41 H new ATOM 1115 N LEU A 80 -0.159 3.939 -7.374 1.00 2.34 N ATOM 1116 CA LEU A 80 -0.731 2.822 -8.131 1.00 2.43 C ATOM 1117 C LEU A 80 -1.766 3.318 -9.135 1.00 53.43 C ATOM 1118 O LEU A 80 -1.868 2.802 -10.252 1.00 24.41 O ATOM 1119 CB LEU A 80 -1.350 1.785 -7.183 1.00 22.34 C ATOM 1120 CG LEU A 80 -0.355 1.080 -6.243 1.00 13.24 C ATOM 1121 CD1 LEU A 80 -1.065 0.041 -5.381 1.00 53.21 C ATOM 1122 CD2 LEU A 80 0.775 0.433 -7.041 1.00 22.13 C ATOM 0 H LEU A 80 -0.316 3.891 -6.367 1.00 2.34 H new ATOM 0 HA LEU A 80 0.075 2.342 -8.685 1.00 2.43 H new ATOM 0 HB2 LEU A 80 -2.110 2.278 -6.577 1.00 22.34 H new ATOM 0 HB3 LEU A 80 -1.859 1.029 -7.780 1.00 22.34 H new ATOM 0 HG LEU A 80 0.077 1.832 -5.583 1.00 13.24 H new ATOM 0 HD11 LEU A 80 -0.342 -0.444 -4.725 1.00 53.21 H new ATOM 0 HD12 LEU A 80 -1.830 0.530 -4.778 1.00 53.21 H new ATOM 0 HD13 LEU A 80 -1.531 -0.707 -6.023 1.00 53.21 H new ATOM 0 HD21 LEU A 80 1.467 -0.060 -6.358 1.00 22.13 H new ATOM 0 HD22 LEU A 80 0.359 -0.303 -7.730 1.00 22.13 H new ATOM 0 HD23 LEU A 80 1.306 1.199 -7.606 1.00 22.13 H new ATOM 1134 N VAL A 81 -2.526 4.325 -8.729 1.00 63.33 N ATOM 1135 CA VAL A 81 -3.488 4.974 -9.611 1.00 24.24 C ATOM 1136 C VAL A 81 -2.769 5.939 -10.556 1.00 1.12 C ATOM 1137 O VAL A 81 -3.226 6.184 -11.675 1.00 32.11 O ATOM 1138 CB VAL A 81 -4.587 5.725 -8.809 1.00 61.23 C ATOM 1139 CG1 VAL A 81 -5.562 6.444 -9.742 1.00 64.12 C ATOM 1140 CG2 VAL A 81 -5.339 4.757 -7.893 1.00 32.13 C ATOM 0 H VAL A 81 -2.495 4.714 -7.786 1.00 63.33 H new ATOM 0 HA VAL A 81 -3.979 4.197 -10.196 1.00 24.24 H new ATOM 0 HB VAL A 81 -4.095 6.478 -8.194 1.00 61.23 H new ATOM 0 HG11 VAL A 81 -6.318 6.960 -9.150 1.00 64.12 H new ATOM 0 HG12 VAL A 81 -5.018 7.169 -10.348 1.00 64.12 H new ATOM 0 HG13 VAL A 81 -6.045 5.716 -10.394 1.00 64.12 H new ATOM 0 HG21 VAL A 81 -6.105 5.301 -7.339 1.00 32.13 H new ATOM 0 HG22 VAL A 81 -5.809 3.979 -8.494 1.00 32.13 H new ATOM 0 HG23 VAL A 81 -4.639 4.301 -7.192 1.00 32.13 H new ATOM 1150 N GLY A 82 -1.626 6.466 -10.108 1.00 64.45 N ATOM 1151 CA GLY A 82 -0.911 7.469 -10.879 1.00 60.30 C ATOM 1152 C GLY A 82 -0.304 6.883 -12.135 1.00 0.13 C ATOM 1153 O GLY A 82 -0.451 7.435 -13.226 1.00 42.34 O ATOM 0 H GLY A 82 -1.185 6.214 -9.224 1.00 64.45 H new ATOM 0 HA2 GLY A 82 -1.593 8.276 -11.147 1.00 60.30 H new ATOM 0 HA3 GLY A 82 -0.124 7.907 -10.265 1.00 60.30 H new ATOM 1157 N SER A 83 0.378 5.754 -11.976 1.00 72.34 N ATOM 1158 CA SER A 83 0.935 5.023 -13.105 1.00 74.25 C ATOM 1159 C SER A 83 -0.149 4.151 -13.746 1.00 31.50 C ATOM 1160 O SER A 83 -0.072 3.803 -14.927 1.00 13.12 O ATOM 1161 CB SER A 83 2.130 4.179 -12.640 1.00 24.10 C ATOM 1162 OG SER A 83 2.746 3.502 -13.722 1.00 1.12 O ATOM 0 H SER A 83 0.558 5.324 -11.069 1.00 72.34 H new ATOM 0 HA SER A 83 1.291 5.727 -13.858 1.00 74.25 H new ATOM 0 HB2 SER A 83 2.861 4.822 -12.150 1.00 24.10 H new ATOM 0 HB3 SER A 83 1.796 3.453 -11.899 1.00 24.10 H new ATOM 0 HG SER A 83 3.503 2.976 -13.390 1.00 1.12 H new ATOM 1168 N GLY A 84 -1.178 3.825 -12.960 1.00 63.01 N ATOM 1169 CA GLY A 84 -2.335 3.114 -13.482 1.00 3.24 C ATOM 1170 C GLY A 84 -2.164 1.606 -13.496 1.00 52.10 C ATOM 1171 O GLY A 84 -2.552 0.941 -14.461 1.00 34.20 O ATOM 0 H GLY A 84 -1.229 4.043 -11.965 1.00 63.01 H new ATOM 0 HA2 GLY A 84 -3.208 3.367 -12.881 1.00 3.24 H new ATOM 0 HA3 GLY A 84 -2.536 3.458 -14.497 1.00 3.24 H new ATOM 1175 N LEU A 85 -1.592 1.059 -12.424 1.00 74.43 N ATOM 1176 CA LEU A 85 -1.439 -0.391 -12.294 1.00 34.23 C ATOM 1177 C LEU A 85 -2.800 -1.037 -12.055 1.00 13.11 C ATOM 1178 O LEU A 85 -3.090 -2.115 -12.575 1.00 34.42 O ATOM 1179 CB LEU A 85 -0.476 -0.761 -11.150 1.00 1.53 C ATOM 1180 CG LEU A 85 0.999 -0.363 -11.354 1.00 52.01 C ATOM 1181 CD1 LEU A 85 1.185 1.146 -11.232 1.00 71.30 C ATOM 1182 CD2 LEU A 85 1.898 -1.099 -10.360 1.00 71.01 C ATOM 0 H LEU A 85 -1.228 1.594 -11.636 1.00 74.43 H new ATOM 0 HA LEU A 85 -1.012 -0.766 -13.224 1.00 34.23 H new ATOM 0 HB2 LEU A 85 -0.835 -0.292 -10.234 1.00 1.53 H new ATOM 0 HB3 LEU A 85 -0.523 -1.839 -10.996 1.00 1.53 H new ATOM 0 HG LEU A 85 1.288 -0.655 -12.363 1.00 52.01 H new ATOM 0 HD11 LEU A 85 2.235 1.396 -11.381 1.00 71.30 H new ATOM 0 HD12 LEU A 85 0.582 1.649 -11.988 1.00 71.30 H new ATOM 0 HD13 LEU A 85 0.871 1.472 -10.241 1.00 71.30 H new ATOM 0 HD21 LEU A 85 2.935 -0.804 -10.520 1.00 71.01 H new ATOM 0 HD22 LEU A 85 1.601 -0.844 -9.343 1.00 71.01 H new ATOM 0 HD23 LEU A 85 1.799 -2.174 -10.507 1.00 71.01 H new ATOM 1194 N VAL A 86 -3.629 -0.357 -11.267 1.00 22.52 N ATOM 1195 CA VAL A 86 -4.969 -0.831 -10.932 1.00 31.33 C ATOM 1196 C VAL A 86 -5.966 0.324 -11.007 1.00 34.21 C ATOM 1197 O VAL A 86 -5.566 1.484 -11.139 1.00 42.32 O ATOM 1198 CB VAL A 86 -5.016 -1.459 -9.511 1.00 23.01 C ATOM 1199 CG1 VAL A 86 -4.169 -2.731 -9.446 1.00 74.22 C ATOM 1200 CG2 VAL A 86 -4.562 -0.447 -8.456 1.00 54.51 C ATOM 0 H VAL A 86 -3.390 0.539 -10.842 1.00 22.52 H new ATOM 0 HA VAL A 86 -5.236 -1.601 -11.656 1.00 31.33 H new ATOM 0 HB VAL A 86 -6.049 -1.733 -9.297 1.00 23.01 H new ATOM 0 HG11 VAL A 86 -4.219 -3.150 -8.441 1.00 74.22 H new ATOM 0 HG12 VAL A 86 -4.550 -3.459 -10.162 1.00 74.22 H new ATOM 0 HG13 VAL A 86 -3.134 -2.491 -9.688 1.00 74.22 H new ATOM 0 HG21 VAL A 86 -4.603 -0.907 -7.469 1.00 54.51 H new ATOM 0 HG22 VAL A 86 -3.540 -0.134 -8.668 1.00 54.51 H new ATOM 0 HG23 VAL A 86 -5.220 0.422 -8.478 1.00 54.51 H new ATOM 1210 N ASP A 87 -7.257 0.006 -10.928 1.00 21.13 N ATOM 1211 CA ASP A 87 -8.305 1.029 -10.951 1.00 14.54 C ATOM 1212 C ASP A 87 -8.239 1.856 -9.672 1.00 43.43 C ATOM 1213 O ASP A 87 -8.234 3.088 -9.706 1.00 70.23 O ATOM 1214 CB ASP A 87 -9.690 0.380 -11.088 1.00 22.43 C ATOM 1215 CG ASP A 87 -10.807 1.402 -11.277 1.00 52.21 C ATOM 1216 OD1 ASP A 87 -11.422 1.825 -10.272 1.00 53.42 O ATOM 1217 OD2 ASP A 87 -11.081 1.782 -12.437 1.00 51.25 O ATOM 0 H ASP A 87 -7.604 -0.950 -10.848 1.00 21.13 H new ATOM 0 HA ASP A 87 -8.144 1.679 -11.811 1.00 14.54 H new ATOM 0 HB2 ASP A 87 -9.683 -0.304 -11.936 1.00 22.43 H new ATOM 0 HB3 ASP A 87 -9.896 -0.216 -10.199 1.00 22.43 H new ATOM 1222 N ASP A 88 -8.169 1.152 -8.550 1.00 51.41 N ATOM 1223 CA ASP A 88 -7.993 1.769 -7.240 1.00 23.44 C ATOM 1224 C ASP A 88 -7.569 0.690 -6.247 1.00 21.21 C ATOM 1225 O ASP A 88 -7.421 -0.482 -6.624 1.00 11.32 O ATOM 1226 CB ASP A 88 -9.282 2.474 -6.768 1.00 5.11 C ATOM 1227 CG ASP A 88 -9.021 3.497 -5.667 1.00 11.32 C ATOM 1228 OD1 ASP A 88 -9.217 3.178 -4.477 1.00 61.33 O ATOM 1229 OD2 ASP A 88 -8.594 4.626 -5.991 1.00 64.35 O ATOM 0 H ASP A 88 -8.233 0.134 -8.522 1.00 51.41 H new ATOM 0 HA ASP A 88 -7.221 2.535 -7.306 1.00 23.44 H new ATOM 0 HB2 ASP A 88 -9.752 2.971 -7.617 1.00 5.11 H new ATOM 0 HB3 ASP A 88 -9.988 1.727 -6.405 1.00 5.11 H new ATOM 1234 N ILE A 89 -7.380 1.064 -4.990 1.00 41.33 N ATOM 1235 CA ILE A 89 -6.879 0.137 -3.985 1.00 61.13 C ATOM 1236 C ILE A 89 -7.847 0.017 -2.817 1.00 51.14 C ATOM 1237 O ILE A 89 -8.884 0.680 -2.773 1.00 33.00 O ATOM 1238 CB ILE A 89 -5.506 0.587 -3.423 1.00 21.22 C ATOM 1239 CG1 ILE A 89 -5.658 1.891 -2.620 1.00 24.04 C ATOM 1240 CG2 ILE A 89 -4.494 0.762 -4.553 1.00 64.32 C ATOM 1241 CD1 ILE A 89 -4.428 2.265 -1.826 1.00 1.25 C ATOM 0 H ILE A 89 -7.566 2.004 -4.641 1.00 41.33 H new ATOM 0 HA ILE A 89 -6.772 -0.826 -4.484 1.00 61.13 H new ATOM 0 HB ILE A 89 -5.135 -0.188 -2.753 1.00 21.22 H new ATOM 0 HG12 ILE A 89 -5.897 2.703 -3.306 1.00 24.04 H new ATOM 0 HG13 ILE A 89 -6.503 1.791 -1.938 1.00 24.04 H new ATOM 0 HG21 ILE A 89 -3.537 1.078 -4.138 1.00 64.32 H new ATOM 0 HG22 ILE A 89 -4.367 -0.185 -5.078 1.00 64.32 H new ATOM 0 HG23 ILE A 89 -4.855 1.518 -5.251 1.00 64.32 H new ATOM 0 HD11 ILE A 89 -4.612 3.194 -1.287 1.00 1.25 H new ATOM 0 HD12 ILE A 89 -4.199 1.472 -1.114 1.00 1.25 H new ATOM 0 HD13 ILE A 89 -3.585 2.399 -2.503 1.00 1.25 H new ATOM 1253 N ARG A 90 -7.488 -0.840 -1.877 1.00 24.21 N ATOM 1254 CA ARG A 90 -8.177 -0.947 -0.605 1.00 10.43 C ATOM 1255 C ARG A 90 -7.193 -1.526 0.401 1.00 64.14 C ATOM 1256 O ARG A 90 -6.887 -2.715 0.351 1.00 74.22 O ATOM 1257 CB ARG A 90 -9.402 -1.869 -0.739 1.00 2.11 C ATOM 1258 CG ARG A 90 -10.518 -1.636 0.286 1.00 52.11 C ATOM 1259 CD ARG A 90 -10.050 -1.685 1.744 1.00 71.35 C ATOM 1260 NE ARG A 90 -9.560 -0.383 2.220 1.00 54.52 N ATOM 1261 CZ ARG A 90 -9.765 0.094 3.452 1.00 30.13 C ATOM 1262 NH1 ARG A 90 -10.447 -0.617 4.347 1.00 41.34 N ATOM 1263 NH2 ARG A 90 -9.283 1.285 3.785 1.00 13.32 N ATOM 0 H ARG A 90 -6.704 -1.485 -1.977 1.00 24.21 H new ATOM 0 HA ARG A 90 -8.529 0.031 -0.278 1.00 10.43 H new ATOM 0 HB2 ARG A 90 -9.819 -1.747 -1.739 1.00 2.11 H new ATOM 0 HB3 ARG A 90 -9.067 -2.903 -0.657 1.00 2.11 H new ATOM 0 HG2 ARG A 90 -10.975 -0.665 0.095 1.00 52.11 H new ATOM 0 HG3 ARG A 90 -11.294 -2.388 0.139 1.00 52.11 H new ATOM 0 HD2 ARG A 90 -10.875 -2.013 2.377 1.00 71.35 H new ATOM 0 HD3 ARG A 90 -9.258 -2.427 1.844 1.00 71.35 H new ATOM 0 HE ARG A 90 -9.029 0.194 1.568 1.00 54.52 H new ATOM 0 HH11 ARG A 90 -10.818 -1.533 4.095 1.00 41.34 H new ATOM 0 HH12 ARG A 90 -10.599 -0.246 5.285 1.00 41.34 H new ATOM 0 HH21 ARG A 90 -8.759 1.832 3.102 1.00 13.32 H new ATOM 0 HH22 ARG A 90 -9.437 1.653 4.724 1.00 13.32 H new ATOM 1277 N ILE A 91 -6.693 -0.695 1.302 1.00 63.30 N ATOM 1278 CA ILE A 91 -5.780 -1.163 2.329 1.00 51.11 C ATOM 1279 C ILE A 91 -6.554 -1.466 3.599 1.00 55.05 C ATOM 1280 O ILE A 91 -6.939 -0.560 4.339 1.00 63.41 O ATOM 1281 CB ILE A 91 -4.653 -0.144 2.616 1.00 71.52 C ATOM 1282 CG1 ILE A 91 -3.807 0.078 1.349 1.00 74.45 C ATOM 1283 CG2 ILE A 91 -3.780 -0.621 3.777 1.00 11.32 C ATOM 1284 CD1 ILE A 91 -2.632 1.015 1.543 1.00 51.33 C ATOM 0 H ILE A 91 -6.904 0.302 1.342 1.00 63.30 H new ATOM 0 HA ILE A 91 -5.303 -2.072 1.963 1.00 51.11 H new ATOM 0 HB ILE A 91 -5.103 0.806 2.902 1.00 71.52 H new ATOM 0 HG12 ILE A 91 -3.435 -0.886 1.001 1.00 74.45 H new ATOM 0 HG13 ILE A 91 -4.448 0.476 0.562 1.00 74.45 H new ATOM 0 HG21 ILE A 91 -2.993 0.109 3.964 1.00 11.32 H new ATOM 0 HG22 ILE A 91 -4.393 -0.731 4.672 1.00 11.32 H new ATOM 0 HG23 ILE A 91 -3.331 -1.582 3.524 1.00 11.32 H new ATOM 0 HD11 ILE A 91 -2.089 1.117 0.603 1.00 51.33 H new ATOM 0 HD12 ILE A 91 -2.995 1.993 1.860 1.00 51.33 H new ATOM 0 HD13 ILE A 91 -1.966 0.610 2.305 1.00 51.33 H new ATOM 1296 N ASN A 92 -6.809 -2.746 3.825 1.00 0.52 N ATOM 1297 CA ASN A 92 -7.562 -3.180 4.990 1.00 41.50 C ATOM 1298 C ASN A 92 -6.609 -3.412 6.147 1.00 32.43 C ATOM 1299 O ASN A 92 -5.508 -3.936 5.960 1.00 51.44 O ATOM 1300 CB ASN A 92 -8.351 -4.460 4.696 1.00 51.44 C ATOM 1301 CG ASN A 92 -7.466 -5.641 4.346 1.00 32.01 C ATOM 1302 OD1 ASN A 92 -7.132 -5.849 3.180 1.00 52.13 O ATOM 1303 ND2 ASN A 92 -7.089 -6.425 5.345 1.00 41.41 N ATOM 0 H ASN A 92 -6.504 -3.504 3.214 1.00 0.52 H new ATOM 0 HA ASN A 92 -8.277 -2.399 5.251 1.00 41.50 H new ATOM 0 HB2 ASN A 92 -8.957 -4.714 5.566 1.00 51.44 H new ATOM 0 HB3 ASN A 92 -9.039 -4.273 3.872 1.00 51.44 H new ATOM 0 HD21 ASN A 92 -6.499 -7.237 5.162 1.00 41.41 H new ATOM 0 HD22 ASN A 92 -7.388 -6.217 6.298 1.00 41.41 H new ATOM 1310 N TRP A 93 -7.027 -3.012 7.336 1.00 11.12 N ATOM 1311 CA TRP A 93 -6.189 -3.130 8.514 1.00 51.34 C ATOM 1312 C TRP A 93 -6.524 -4.418 9.250 1.00 51.12 C ATOM 1313 O TRP A 93 -7.563 -4.522 9.903 1.00 33.11 O ATOM 1314 CB TRP A 93 -6.401 -1.902 9.406 1.00 33.42 C ATOM 1315 CG TRP A 93 -6.448 -0.633 8.605 1.00 42.31 C ATOM 1316 CD1 TRP A 93 -5.386 0.086 8.134 1.00 4.40 C ATOM 1317 CD2 TRP A 93 -7.624 0.045 8.149 1.00 65.54 C ATOM 1318 NE1 TRP A 93 -5.833 1.166 7.416 1.00 40.43 N ATOM 1319 CE2 TRP A 93 -7.201 1.166 7.416 1.00 22.42 C ATOM 1320 CE3 TRP A 93 -8.994 -0.189 8.294 1.00 2.13 C ATOM 1321 CZ2 TRP A 93 -8.096 2.054 6.828 1.00 42.01 C ATOM 1322 CZ3 TRP A 93 -9.884 0.694 7.714 1.00 73.43 C ATOM 1323 CH2 TRP A 93 -9.432 1.804 6.987 1.00 31.02 C ATOM 0 H TRP A 93 -7.945 -2.602 7.510 1.00 11.12 H new ATOM 0 HA TRP A 93 -5.138 -3.170 8.229 1.00 51.34 H new ATOM 0 HB2 TRP A 93 -7.330 -2.014 9.964 1.00 33.42 H new ATOM 0 HB3 TRP A 93 -5.595 -1.841 10.138 1.00 33.42 H new ATOM 0 HD1 TRP A 93 -4.348 -0.160 8.302 1.00 4.40 H new ATOM 0 HE1 TRP A 93 -5.241 1.858 6.956 1.00 40.43 H new ATOM 0 HE3 TRP A 93 -9.350 -1.044 8.849 1.00 2.13 H new ATOM 0 HZ2 TRP A 93 -7.749 2.909 6.267 1.00 42.01 H new ATOM 0 HZ3 TRP A 93 -10.945 0.526 7.822 1.00 73.43 H new ATOM 0 HH2 TRP A 93 -10.152 2.475 6.544 1.00 31.02 H new ATOM 1334 N VAL A 94 -5.635 -5.397 9.142 1.00 12.54 N ATOM 1335 CA VAL A 94 -5.851 -6.699 9.760 1.00 65.44 C ATOM 1336 C VAL A 94 -4.740 -6.998 10.756 1.00 73.44 C ATOM 1337 O VAL A 94 -3.554 -6.960 10.423 1.00 11.43 O ATOM 1338 CB VAL A 94 -5.954 -7.836 8.704 1.00 22.11 C ATOM 1339 CG1 VAL A 94 -4.767 -7.812 7.740 1.00 42.32 C ATOM 1340 CG2 VAL A 94 -6.082 -9.203 9.387 1.00 5.24 C ATOM 0 H VAL A 94 -4.756 -5.314 8.631 1.00 12.54 H new ATOM 0 HA VAL A 94 -6.804 -6.659 10.287 1.00 65.44 H new ATOM 0 HB VAL A 94 -6.856 -7.664 8.117 1.00 22.11 H new ATOM 0 HG11 VAL A 94 -4.870 -8.620 7.015 1.00 42.32 H new ATOM 0 HG12 VAL A 94 -4.742 -6.856 7.217 1.00 42.32 H new ATOM 0 HG13 VAL A 94 -3.841 -7.943 8.300 1.00 42.32 H new ATOM 0 HG21 VAL A 94 -6.153 -9.983 8.629 1.00 5.24 H new ATOM 0 HG22 VAL A 94 -5.206 -9.381 10.011 1.00 5.24 H new ATOM 0 HG23 VAL A 94 -6.978 -9.217 10.007 1.00 5.24 H new ATOM 1350 N TRP A 95 -5.143 -7.273 11.986 1.00 42.13 N ATOM 1351 CA TRP A 95 -4.212 -7.560 13.069 1.00 61.03 C ATOM 1352 C TRP A 95 -4.836 -8.550 14.049 1.00 42.12 C ATOM 1353 O TRP A 95 -4.307 -8.774 15.141 1.00 60.11 O ATOM 1354 CB TRP A 95 -3.820 -6.253 13.785 1.00 44.30 C ATOM 1355 CG TRP A 95 -4.991 -5.470 14.320 1.00 64.10 C ATOM 1356 CD1 TRP A 95 -6.126 -5.119 13.643 1.00 53.34 C ATOM 1357 CD2 TRP A 95 -5.126 -4.920 15.637 1.00 54.53 C ATOM 1358 NE1 TRP A 95 -6.964 -4.407 14.463 1.00 52.35 N ATOM 1359 CE2 TRP A 95 -6.371 -4.263 15.689 1.00 33.03 C ATOM 1360 CE3 TRP A 95 -4.318 -4.919 16.777 1.00 22.24 C ATOM 1361 CZ2 TRP A 95 -6.826 -3.618 16.838 1.00 41.32 C ATOM 1362 CZ3 TRP A 95 -4.769 -4.279 17.914 1.00 33.13 C ATOM 1363 CH2 TRP A 95 -6.011 -3.633 17.938 1.00 33.45 C ATOM 0 H TRP A 95 -6.124 -7.304 12.263 1.00 42.13 H new ATOM 0 HA TRP A 95 -3.310 -8.011 12.656 1.00 61.03 H new ATOM 0 HB2 TRP A 95 -3.148 -6.490 14.610 1.00 44.30 H new ATOM 0 HB3 TRP A 95 -3.263 -5.624 13.091 1.00 44.30 H new ATOM 0 HD1 TRP A 95 -6.333 -5.366 12.612 1.00 53.34 H new ATOM 0 HE1 TRP A 95 -7.881 -4.044 14.202 1.00 52.35 H new ATOM 0 HE3 TRP A 95 -3.357 -5.411 16.769 1.00 22.24 H new ATOM 0 HZ2 TRP A 95 -7.786 -3.124 16.860 1.00 41.32 H new ATOM 0 HZ3 TRP A 95 -4.153 -4.277 18.801 1.00 33.13 H new ATOM 0 HH2 TRP A 95 -6.332 -3.137 18.842 1.00 33.45 H new ATOM 1374 N ASN A 96 -5.957 -9.150 13.640 1.00 14.34 N ATOM 1375 CA ASN A 96 -6.677 -10.108 14.480 1.00 0.15 C ATOM 1376 C ASN A 96 -7.856 -10.739 13.724 1.00 52.24 C ATOM 1377 O ASN A 96 -7.870 -11.953 13.513 1.00 74.42 O ATOM 1378 CB ASN A 96 -7.172 -9.455 15.786 1.00 65.21 C ATOM 1379 CG ASN A 96 -7.972 -10.419 16.651 1.00 32.43 C ATOM 1380 OD1 ASN A 96 -7.696 -11.618 16.684 1.00 35.30 O ATOM 1381 ND2 ASN A 96 -8.970 -9.903 17.353 1.00 62.15 N ATOM 0 H ASN A 96 -6.386 -8.988 12.729 1.00 14.34 H new ATOM 0 HA ASN A 96 -5.971 -10.897 14.739 1.00 0.15 H new ATOM 0 HB2 ASN A 96 -6.316 -9.088 16.352 1.00 65.21 H new ATOM 0 HB3 ASN A 96 -7.789 -8.590 15.545 1.00 65.21 H new ATOM 0 HD21 ASN A 96 -9.540 -10.505 17.947 1.00 62.15 H new ATOM 0 HD22 ASN A 96 -9.168 -8.904 17.299 1.00 62.15 H new ATOM 1388 N PRO A 97 -8.849 -9.938 13.269 1.00 3.44 N ATOM 1389 CA PRO A 97 -10.077 -10.487 12.685 1.00 15.32 C ATOM 1390 C PRO A 97 -9.881 -10.956 11.241 1.00 21.24 C ATOM 1391 O PRO A 97 -9.173 -10.308 10.465 1.00 42.05 O ATOM 1392 CB PRO A 97 -11.045 -9.300 12.747 1.00 14.42 C ATOM 1393 CG PRO A 97 -10.170 -8.103 12.588 1.00 34.44 C ATOM 1394 CD PRO A 97 -8.858 -8.452 13.251 1.00 14.24 C ATOM 0 HA PRO A 97 -10.428 -11.372 13.215 1.00 15.32 H new ATOM 0 HB2 PRO A 97 -11.792 -9.354 11.956 1.00 14.42 H new ATOM 0 HB3 PRO A 97 -11.584 -9.276 13.694 1.00 14.42 H new ATOM 0 HG2 PRO A 97 -10.023 -7.865 11.535 1.00 34.44 H new ATOM 0 HG3 PRO A 97 -10.621 -7.226 13.053 1.00 34.44 H new ATOM 0 HD2 PRO A 97 -8.010 -8.054 12.693 1.00 14.24 H new ATOM 0 HD3 PRO A 97 -8.798 -8.040 14.258 1.00 14.24 H new ATOM 1402 N PRO A 98 -10.488 -12.103 10.866 1.00 53.12 N ATOM 1403 CA PRO A 98 -10.469 -12.594 9.482 1.00 54.13 C ATOM 1404 C PRO A 98 -11.058 -11.563 8.516 1.00 32.11 C ATOM 1405 O PRO A 98 -11.925 -10.770 8.900 1.00 31.45 O ATOM 1406 CB PRO A 98 -11.337 -13.861 9.532 1.00 2.34 C ATOM 1407 CG PRO A 98 -11.300 -14.289 10.960 1.00 62.10 C ATOM 1408 CD PRO A 98 -11.226 -13.017 11.762 1.00 52.30 C ATOM 0 HA PRO A 98 -9.459 -12.786 9.121 1.00 54.13 H new ATOM 0 HB2 PRO A 98 -12.357 -13.655 9.206 1.00 2.34 H new ATOM 0 HB3 PRO A 98 -10.943 -14.637 8.876 1.00 2.34 H new ATOM 0 HG2 PRO A 98 -12.188 -14.865 11.220 1.00 62.10 H new ATOM 0 HG3 PRO A 98 -10.438 -14.927 11.156 1.00 62.10 H new ATOM 0 HD2 PRO A 98 -12.217 -12.633 12.003 1.00 52.30 H new ATOM 0 HD3 PRO A 98 -10.703 -13.165 12.707 1.00 52.30 H new ATOM 1416 N TRP A 99 -10.601 -11.597 7.269 1.00 44.42 N ATOM 1417 CA TRP A 99 -10.951 -10.575 6.286 1.00 20.12 C ATOM 1418 C TRP A 99 -12.464 -10.514 6.065 1.00 44.22 C ATOM 1419 O TRP A 99 -13.099 -11.521 5.738 1.00 55.50 O ATOM 1420 CB TRP A 99 -10.233 -10.855 4.958 1.00 34.11 C ATOM 1421 CG TRP A 99 -8.755 -11.084 5.113 1.00 32.41 C ATOM 1422 CD1 TRP A 99 -7.846 -10.250 5.703 1.00 25.20 C ATOM 1423 CD2 TRP A 99 -8.013 -12.226 4.666 1.00 44.33 C ATOM 1424 NE1 TRP A 99 -6.593 -10.806 5.650 1.00 20.31 N ATOM 1425 CE2 TRP A 99 -6.668 -12.017 5.017 1.00 60.43 C ATOM 1426 CE3 TRP A 99 -8.359 -13.407 4.001 1.00 61.14 C ATOM 1427 CZ2 TRP A 99 -5.667 -12.942 4.727 1.00 11.53 C ATOM 1428 CZ3 TRP A 99 -7.366 -14.326 3.713 1.00 34.03 C ATOM 1429 CH2 TRP A 99 -6.034 -14.089 4.076 1.00 42.34 C ATOM 0 H TRP A 99 -9.983 -12.326 6.912 1.00 44.42 H new ATOM 0 HA TRP A 99 -10.628 -9.608 6.672 1.00 20.12 H new ATOM 0 HB2 TRP A 99 -10.681 -11.731 4.489 1.00 34.11 H new ATOM 0 HB3 TRP A 99 -10.394 -10.015 4.283 1.00 34.11 H new ATOM 0 HD1 TRP A 99 -8.080 -9.293 6.146 1.00 25.20 H new ATOM 0 HE1 TRP A 99 -5.742 -10.385 6.023 1.00 20.31 H new ATOM 0 HE3 TRP A 99 -9.383 -13.598 3.717 1.00 61.14 H new ATOM 0 HZ2 TRP A 99 -4.639 -12.761 5.006 1.00 11.53 H new ATOM 0 HZ3 TRP A 99 -7.622 -15.241 3.200 1.00 34.03 H new ATOM 0 HH2 TRP A 99 -5.281 -14.826 3.837 1.00 42.34 H new ATOM 1440 N GLY A 100 -13.035 -9.329 6.263 1.00 64.13 N ATOM 1441 CA GLY A 100 -14.457 -9.130 6.044 1.00 54.11 C ATOM 1442 C GLY A 100 -14.749 -7.765 5.439 1.00 42.15 C ATOM 1443 O GLY A 100 -14.240 -7.448 4.361 1.00 34.43 O ATOM 0 H GLY A 100 -12.533 -8.497 6.574 1.00 64.13 H new ATOM 0 HA2 GLY A 100 -14.836 -9.909 5.383 1.00 54.11 H new ATOM 0 HA3 GLY A 100 -14.988 -9.229 6.991 1.00 54.11 H new ATOM 1447 N PRO A 101 -15.542 -6.916 6.124 1.00 55.45 N ATOM 1448 CA PRO A 101 -15.890 -5.575 5.623 1.00 74.34 C ATOM 1449 C PRO A 101 -14.655 -4.684 5.491 1.00 51.22 C ATOM 1450 O PRO A 101 -14.686 -3.646 4.828 1.00 41.21 O ATOM 1451 CB PRO A 101 -16.853 -5.026 6.689 1.00 31.51 C ATOM 1452 CG PRO A 101 -16.551 -5.816 7.920 1.00 3.40 C ATOM 1453 CD PRO A 101 -16.150 -7.185 7.441 1.00 13.32 C ATOM 0 HA PRO A 101 -16.330 -5.606 4.626 1.00 74.34 H new ATOM 0 HB2 PRO A 101 -16.694 -3.960 6.854 1.00 31.51 H new ATOM 0 HB3 PRO A 101 -17.892 -5.150 6.385 1.00 31.51 H new ATOM 0 HG2 PRO A 101 -15.749 -5.353 8.495 1.00 3.40 H new ATOM 0 HG3 PRO A 101 -17.422 -5.870 8.573 1.00 3.40 H new ATOM 0 HD2 PRO A 101 -15.443 -7.659 8.122 1.00 13.32 H new ATOM 0 HD3 PRO A 101 -17.009 -7.851 7.360 1.00 13.32 H new ATOM 1461 N ASP A 102 -13.565 -5.119 6.116 1.00 70.23 N ATOM 1462 CA ASP A 102 -12.293 -4.402 6.074 1.00 71.13 C ATOM 1463 C ASP A 102 -11.834 -4.221 4.630 1.00 23.41 C ATOM 1464 O ASP A 102 -11.117 -3.273 4.308 1.00 61.20 O ATOM 1465 CB ASP A 102 -11.223 -5.174 6.859 1.00 64.43 C ATOM 1466 CG ASP A 102 -11.725 -5.639 8.213 1.00 64.14 C ATOM 1467 OD1 ASP A 102 -12.346 -6.723 8.269 1.00 12.44 O ATOM 1468 OD2 ASP A 102 -11.524 -4.920 9.216 1.00 23.31 O ATOM 0 H ASP A 102 -13.538 -5.978 6.666 1.00 70.23 H new ATOM 0 HA ASP A 102 -12.435 -3.422 6.529 1.00 71.13 H new ATOM 0 HB2 ASP A 102 -10.901 -6.038 6.277 1.00 64.43 H new ATOM 0 HB3 ASP A 102 -10.348 -4.539 6.997 1.00 64.43 H new ATOM 1473 N LYS A 103 -12.271 -5.134 3.760 1.00 74.44 N ATOM 1474 CA LYS A 103 -11.892 -5.120 2.346 1.00 22.42 C ATOM 1475 C LYS A 103 -12.672 -4.052 1.566 1.00 53.44 C ATOM 1476 O LYS A 103 -12.598 -4.001 0.340 1.00 4.21 O ATOM 1477 CB LYS A 103 -12.106 -6.515 1.726 1.00 32.35 C ATOM 1478 CG LYS A 103 -11.131 -7.586 2.227 1.00 21.15 C ATOM 1479 CD LYS A 103 -9.686 -7.300 1.805 1.00 3.11 C ATOM 1480 CE LYS A 103 -8.728 -8.414 2.236 1.00 30.40 C ATOM 1481 NZ LYS A 103 -7.316 -8.134 1.841 1.00 74.51 N ATOM 0 H LYS A 103 -12.894 -5.900 4.014 1.00 74.44 H new ATOM 0 HA LYS A 103 -10.834 -4.864 2.281 1.00 22.42 H new ATOM 0 HB2 LYS A 103 -13.125 -6.841 1.937 1.00 32.35 H new ATOM 0 HB3 LYS A 103 -12.015 -6.436 0.643 1.00 32.35 H new ATOM 0 HG2 LYS A 103 -11.185 -7.643 3.314 1.00 21.15 H new ATOM 0 HG3 LYS A 103 -11.434 -8.559 1.841 1.00 21.15 H new ATOM 0 HD2 LYS A 103 -9.642 -7.183 0.722 1.00 3.11 H new ATOM 0 HD3 LYS A 103 -9.362 -6.355 2.241 1.00 3.11 H new ATOM 0 HE2 LYS A 103 -8.782 -8.538 3.318 1.00 30.40 H new ATOM 0 HE3 LYS A 103 -9.047 -9.356 1.791 1.00 30.40 H new ATOM 0 HZ1 LYS A 103 -6.726 -8.966 2.047 1.00 74.51 H new ATOM 0 HZ2 LYS A 103 -7.275 -7.925 0.823 1.00 74.51 H new ATOM 0 HZ3 LYS A 103 -6.961 -7.317 2.377 1.00 74.51 H new