USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=11 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 62 THR OG1 : rot -150:sc= 1.02 USER MOD Set 1.2: A 66 CYS SG : rot 162:sc= 0.0649 USER MOD Single : A 23 MET CE :methyl 158:sc= 0 (180deg=-0.105) USER MOD Single : A 34 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.2) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.46! C(o=-3.5!,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= -0.907 (180deg=-0.907) USER MOD Single : A 60 THR OG1 : rot 90:sc= 0.835 USER MOD Single : A 63 SER OG : rot -23:sc= 0.465 USER MOD Single : A 69 THR OG1 : rot -76:sc= 0.623 USER MOD Single : A 75 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.85) USER MOD Single : A 76 SER OG : rot -88:sc= -0.0282 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -172:sc= -0.889 USER MOD Single : A 92 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.62) USER MOD Single : A 96 ASN : amide:sc= -0.989 K(o=-0.99,f=-1.9) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 1.709 -6.360 -11.698 1.00 32.23 N ATOM 111 CA ALA A 10 2.466 -5.689 -12.761 1.00 22.34 C ATOM 112 C ALA A 10 3.604 -6.569 -13.298 1.00 5.11 C ATOM 113 O ALA A 10 4.233 -7.316 -12.544 1.00 40.33 O ATOM 114 CB ALA A 10 2.998 -4.336 -12.289 1.00 15.24 C ATOM 0 HA ALA A 10 1.775 -5.514 -13.585 1.00 22.34 H new ATOM 0 HB1 ALA A 10 3.555 -3.862 -13.097 1.00 15.24 H new ATOM 0 HB2 ALA A 10 2.163 -3.697 -12.000 1.00 15.24 H new ATOM 0 HB3 ALA A 10 3.656 -4.482 -11.433 1.00 15.24 H new ATOM 120 N PRO A 11 3.861 -6.511 -14.621 1.00 63.12 N ATOM 121 CA PRO A 11 4.958 -7.261 -15.251 1.00 54.23 C ATOM 122 C PRO A 11 6.327 -6.742 -14.806 1.00 21.23 C ATOM 123 O PRO A 11 6.484 -5.552 -14.521 1.00 4.14 O ATOM 124 CB PRO A 11 4.732 -7.043 -16.755 1.00 54.12 C ATOM 125 CG PRO A 11 3.947 -5.777 -16.848 1.00 54.23 C ATOM 126 CD PRO A 11 3.100 -5.715 -15.606 1.00 43.40 C ATOM 0 HA PRO A 11 4.956 -8.315 -14.975 1.00 54.23 H new ATOM 0 HB2 PRO A 11 5.679 -6.960 -17.289 1.00 54.12 H new ATOM 0 HB3 PRO A 11 4.189 -7.878 -17.198 1.00 54.12 H new ATOM 0 HG2 PRO A 11 4.608 -4.913 -16.911 1.00 54.23 H new ATOM 0 HG3 PRO A 11 3.326 -5.769 -17.744 1.00 54.23 H new ATOM 0 HD2 PRO A 11 2.960 -4.688 -15.268 1.00 43.40 H new ATOM 0 HD3 PRO A 11 2.108 -6.133 -15.777 1.00 43.40 H new ATOM 134 N ALA A 12 7.310 -7.642 -14.763 1.00 63.25 N ATOM 135 CA ALA A 12 8.636 -7.356 -14.204 1.00 74.10 C ATOM 136 C ALA A 12 9.235 -6.037 -14.705 1.00 72.35 C ATOM 137 O ALA A 12 9.686 -5.218 -13.902 1.00 1.41 O ATOM 138 CB ALA A 12 9.585 -8.507 -14.506 1.00 2.31 C ATOM 0 H ALA A 12 7.211 -8.594 -15.116 1.00 63.25 H new ATOM 0 HA ALA A 12 8.505 -7.248 -13.127 1.00 74.10 H new ATOM 0 HB1 ALA A 12 10.568 -8.288 -14.088 1.00 2.31 H new ATOM 0 HB2 ALA A 12 9.198 -9.424 -14.061 1.00 2.31 H new ATOM 0 HB3 ALA A 12 9.670 -8.635 -15.585 1.00 2.31 H new ATOM 144 N GLU A 13 9.230 -5.834 -16.022 1.00 65.11 N ATOM 145 CA GLU A 13 9.916 -4.687 -16.628 1.00 35.21 C ATOM 146 C GLU A 13 9.413 -3.360 -16.050 1.00 65.31 C ATOM 147 O GLU A 13 10.210 -2.505 -15.652 1.00 13.34 O ATOM 148 CB GLU A 13 9.744 -4.693 -18.153 1.00 44.32 C ATOM 149 CG GLU A 13 10.259 -5.958 -18.830 1.00 34.33 C ATOM 150 CD GLU A 13 10.195 -5.870 -20.348 1.00 13.32 C ATOM 151 OE1 GLU A 13 11.206 -5.487 -20.972 1.00 2.23 O ATOM 152 OE2 GLU A 13 9.127 -6.160 -20.926 1.00 12.00 O ATOM 0 H GLU A 13 8.761 -6.445 -16.690 1.00 65.11 H new ATOM 0 HA GLU A 13 10.976 -4.781 -16.390 1.00 35.21 H new ATOM 0 HB2 GLU A 13 8.687 -4.571 -18.390 1.00 44.32 H new ATOM 0 HB3 GLU A 13 10.265 -3.832 -18.571 1.00 44.32 H new ATOM 0 HG2 GLU A 13 11.289 -6.138 -18.522 1.00 34.33 H new ATOM 0 HG3 GLU A 13 9.672 -6.812 -18.493 1.00 34.33 H new ATOM 159 N GLU A 14 8.095 -3.192 -16.012 1.00 62.31 N ATOM 160 CA GLU A 14 7.488 -1.976 -15.475 1.00 74.54 C ATOM 161 C GLU A 14 7.561 -1.959 -13.952 1.00 42.03 C ATOM 162 O GLU A 14 7.958 -0.960 -13.351 1.00 71.31 O ATOM 163 CB GLU A 14 6.027 -1.862 -15.932 1.00 53.42 C ATOM 164 CG GLU A 14 5.870 -1.592 -17.423 1.00 15.42 C ATOM 165 CD GLU A 14 4.440 -1.781 -17.898 1.00 24.14 C ATOM 166 OE1 GLU A 14 4.161 -2.801 -18.564 1.00 73.11 O ATOM 167 OE2 GLU A 14 3.584 -0.923 -17.589 1.00 31.55 O ATOM 0 H GLU A 14 7.424 -3.884 -16.347 1.00 62.31 H new ATOM 0 HA GLU A 14 8.047 -1.122 -15.857 1.00 74.54 H new ATOM 0 HB2 GLU A 14 5.505 -2.785 -15.682 1.00 53.42 H new ATOM 0 HB3 GLU A 14 5.543 -1.061 -15.374 1.00 53.42 H new ATOM 0 HG2 GLU A 14 6.191 -0.573 -17.641 1.00 15.42 H new ATOM 0 HG3 GLU A 14 6.527 -2.259 -17.981 1.00 15.42 H new ATOM 174 N LEU A 15 7.201 -3.089 -13.343 1.00 51.21 N ATOM 175 CA LEU A 15 7.128 -3.206 -11.887 1.00 44.23 C ATOM 176 C LEU A 15 8.452 -2.804 -11.244 1.00 20.30 C ATOM 177 O LEU A 15 8.466 -2.060 -10.271 1.00 25.12 O ATOM 178 CB LEU A 15 6.738 -4.653 -11.497 1.00 53.42 C ATOM 179 CG LEU A 15 6.441 -4.925 -10.000 1.00 52.11 C ATOM 180 CD1 LEU A 15 7.724 -5.073 -9.182 1.00 33.10 C ATOM 181 CD2 LEU A 15 5.553 -3.827 -9.417 1.00 12.13 C ATOM 0 H LEU A 15 6.953 -3.944 -13.841 1.00 51.21 H new ATOM 0 HA LEU A 15 6.361 -2.526 -11.516 1.00 44.23 H new ATOM 0 HB2 LEU A 15 5.856 -4.933 -12.073 1.00 53.42 H new ATOM 0 HB3 LEU A 15 7.545 -5.316 -11.808 1.00 53.42 H new ATOM 0 HG LEU A 15 5.906 -5.873 -9.942 1.00 52.11 H new ATOM 0 HD11 LEU A 15 7.471 -5.263 -8.139 1.00 33.10 H new ATOM 0 HD12 LEU A 15 8.309 -5.907 -9.571 1.00 33.10 H new ATOM 0 HD13 LEU A 15 8.308 -4.156 -9.253 1.00 33.10 H new ATOM 0 HD21 LEU A 15 5.357 -4.038 -8.366 1.00 12.13 H new ATOM 0 HD22 LEU A 15 6.058 -2.865 -9.506 1.00 12.13 H new ATOM 0 HD23 LEU A 15 4.610 -3.794 -9.962 1.00 12.13 H new ATOM 193 N LEU A 16 9.556 -3.283 -11.804 1.00 53.43 N ATOM 194 CA LEU A 16 10.883 -3.027 -11.240 1.00 33.33 C ATOM 195 C LEU A 16 11.120 -1.525 -11.040 1.00 52.05 C ATOM 196 O LEU A 16 11.330 -1.059 -9.915 1.00 61.13 O ATOM 197 CB LEU A 16 11.968 -3.614 -12.155 1.00 24.20 C ATOM 198 CG LEU A 16 13.418 -3.434 -11.667 1.00 51.33 C ATOM 199 CD1 LEU A 16 13.633 -4.143 -10.330 1.00 64.35 C ATOM 200 CD2 LEU A 16 14.405 -3.949 -12.717 1.00 50.50 C ATOM 0 H LEU A 16 9.562 -3.853 -12.650 1.00 53.43 H new ATOM 0 HA LEU A 16 10.935 -3.511 -10.265 1.00 33.33 H new ATOM 0 HB2 LEU A 16 11.775 -4.679 -12.280 1.00 24.20 H new ATOM 0 HB3 LEU A 16 11.875 -3.155 -13.139 1.00 24.20 H new ATOM 0 HG LEU A 16 13.599 -2.369 -11.518 1.00 51.33 H new ATOM 0 HD11 LEU A 16 14.664 -4.002 -10.005 1.00 64.35 H new ATOM 0 HD12 LEU A 16 12.957 -3.725 -9.584 1.00 64.35 H new ATOM 0 HD13 LEU A 16 13.431 -5.208 -10.446 1.00 64.35 H new ATOM 0 HD21 LEU A 16 15.424 -3.814 -12.355 1.00 50.50 H new ATOM 0 HD22 LEU A 16 14.222 -5.008 -12.900 1.00 50.50 H new ATOM 0 HD23 LEU A 16 14.272 -3.393 -13.645 1.00 50.50 H new ATOM 212 N ALA A 17 11.055 -0.774 -12.132 1.00 23.21 N ATOM 213 CA ALA A 17 11.330 0.661 -12.099 1.00 3.22 C ATOM 214 C ALA A 17 10.266 1.400 -11.297 1.00 3.05 C ATOM 215 O ALA A 17 10.580 2.251 -10.457 1.00 73.01 O ATOM 216 CB ALA A 17 11.410 1.212 -13.518 1.00 54.25 C ATOM 0 H ALA A 17 10.814 -1.134 -13.055 1.00 23.21 H new ATOM 0 HA ALA A 17 12.290 0.817 -11.607 1.00 3.22 H new ATOM 0 HB1 ALA A 17 11.615 2.282 -13.482 1.00 54.25 H new ATOM 0 HB2 ALA A 17 12.210 0.707 -14.060 1.00 54.25 H new ATOM 0 HB3 ALA A 17 10.462 1.041 -14.029 1.00 54.25 H new ATOM 222 N ASP A 18 9.012 1.046 -11.542 1.00 42.41 N ATOM 223 CA ASP A 18 7.885 1.731 -10.921 1.00 62.23 C ATOM 224 C ASP A 18 7.939 1.586 -9.404 1.00 33.43 C ATOM 225 O ASP A 18 7.818 2.570 -8.675 1.00 5.13 O ATOM 226 CB ASP A 18 6.558 1.183 -11.463 1.00 1.25 C ATOM 227 CG ASP A 18 5.389 2.108 -11.164 1.00 55.35 C ATOM 228 OD1 ASP A 18 4.570 1.789 -10.275 1.00 21.41 O ATOM 229 OD2 ASP A 18 5.291 3.165 -11.830 1.00 13.32 O ATOM 0 H ASP A 18 8.748 0.286 -12.169 1.00 42.41 H new ATOM 0 HA ASP A 18 7.950 2.790 -11.169 1.00 62.23 H new ATOM 0 HB2 ASP A 18 6.639 1.040 -12.540 1.00 1.25 H new ATOM 0 HB3 ASP A 18 6.365 0.204 -11.025 1.00 1.25 H new ATOM 234 N VAL A 19 8.148 0.356 -8.932 1.00 63.02 N ATOM 235 CA VAL A 19 8.242 0.100 -7.497 1.00 24.14 C ATOM 236 C VAL A 19 9.526 0.705 -6.941 1.00 3.31 C ATOM 237 O VAL A 19 9.552 1.178 -5.808 1.00 11.13 O ATOM 238 CB VAL A 19 8.187 -1.415 -7.149 1.00 10.13 C ATOM 239 CG1 VAL A 19 9.509 -2.120 -7.462 1.00 4.44 C ATOM 240 CG2 VAL A 19 7.802 -1.614 -5.685 1.00 51.52 C ATOM 0 H VAL A 19 8.254 -0.472 -9.519 1.00 63.02 H new ATOM 0 HA VAL A 19 7.373 0.570 -7.036 1.00 24.14 H new ATOM 0 HB VAL A 19 7.421 -1.869 -7.778 1.00 10.13 H new ATOM 0 HG11 VAL A 19 9.428 -3.176 -7.204 1.00 4.44 H new ATOM 0 HG12 VAL A 19 9.731 -2.022 -8.525 1.00 4.44 H new ATOM 0 HG13 VAL A 19 10.311 -1.665 -6.880 1.00 4.44 H new ATOM 0 HG21 VAL A 19 7.768 -2.680 -5.459 1.00 51.52 H new ATOM 0 HG22 VAL A 19 8.541 -1.131 -5.046 1.00 51.52 H new ATOM 0 HG23 VAL A 19 6.822 -1.174 -5.504 1.00 51.52 H new ATOM 250 N GLU A 20 10.589 0.697 -7.751 1.00 53.02 N ATOM 251 CA GLU A 20 11.860 1.299 -7.357 1.00 42.25 C ATOM 252 C GLU A 20 11.622 2.747 -6.934 1.00 53.01 C ATOM 253 O GLU A 20 12.040 3.167 -5.852 1.00 54.45 O ATOM 254 CB GLU A 20 12.870 1.208 -8.520 1.00 44.44 C ATOM 255 CG GLU A 20 14.330 1.470 -8.144 1.00 50.34 C ATOM 256 CD GLU A 20 14.668 2.944 -7.989 1.00 22.44 C ATOM 257 OE1 GLU A 20 14.827 3.410 -6.839 1.00 33.30 O ATOM 258 OE2 GLU A 20 14.795 3.640 -9.021 1.00 43.51 O ATOM 0 H GLU A 20 10.592 0.280 -8.682 1.00 53.02 H new ATOM 0 HA GLU A 20 12.282 0.758 -6.510 1.00 42.25 H new ATOM 0 HB2 GLU A 20 12.799 0.215 -8.963 1.00 44.44 H new ATOM 0 HB3 GLU A 20 12.577 1.922 -9.290 1.00 44.44 H new ATOM 0 HG2 GLU A 20 14.553 0.955 -7.209 1.00 50.34 H new ATOM 0 HG3 GLU A 20 14.976 1.037 -8.908 1.00 50.34 H new ATOM 265 N GLU A 21 10.904 3.493 -7.774 1.00 21.41 N ATOM 266 CA GLU A 21 10.553 4.875 -7.459 1.00 35.44 C ATOM 267 C GLU A 21 9.543 4.932 -6.308 1.00 74.13 C ATOM 268 O GLU A 21 9.752 5.637 -5.318 1.00 4.31 O ATOM 269 CB GLU A 21 9.961 5.577 -8.691 1.00 73.21 C ATOM 270 CG GLU A 21 10.861 5.535 -9.920 1.00 75.05 C ATOM 271 CD GLU A 21 10.328 6.385 -11.062 1.00 65.04 C ATOM 272 OE1 GLU A 21 10.840 7.507 -11.259 1.00 20.43 O ATOM 273 OE2 GLU A 21 9.387 5.947 -11.758 1.00 35.02 O ATOM 0 H GLU A 21 10.556 3.164 -8.674 1.00 21.41 H new ATOM 0 HA GLU A 21 11.466 5.388 -7.157 1.00 35.44 H new ATOM 0 HB2 GLU A 21 9.006 5.113 -8.937 1.00 73.21 H new ATOM 0 HB3 GLU A 21 9.755 6.617 -8.440 1.00 73.21 H new ATOM 0 HG2 GLU A 21 11.858 5.882 -9.648 1.00 75.05 H new ATOM 0 HG3 GLU A 21 10.963 4.503 -10.256 1.00 75.05 H new ATOM 280 N ALA A 22 8.463 4.161 -6.438 1.00 41.44 N ATOM 281 CA ALA A 22 7.357 4.187 -5.478 1.00 21.23 C ATOM 282 C ALA A 22 7.831 3.895 -4.054 1.00 25.14 C ATOM 283 O ALA A 22 7.317 4.464 -3.088 1.00 62.11 O ATOM 284 CB ALA A 22 6.275 3.189 -5.889 1.00 52.34 C ATOM 0 H ALA A 22 8.330 3.504 -7.207 1.00 41.44 H new ATOM 0 HA ALA A 22 6.940 5.194 -5.486 1.00 21.23 H new ATOM 0 HB1 ALA A 22 5.459 3.219 -5.167 1.00 52.34 H new ATOM 0 HB2 ALA A 22 5.895 3.450 -6.877 1.00 52.34 H new ATOM 0 HB3 ALA A 22 6.698 2.185 -5.917 1.00 52.34 H new ATOM 290 N MET A 23 8.823 3.016 -3.935 1.00 4.50 N ATOM 291 CA MET A 23 9.350 2.609 -2.632 1.00 43.40 C ATOM 292 C MET A 23 9.876 3.804 -1.841 1.00 42.35 C ATOM 293 O MET A 23 9.902 3.772 -0.616 1.00 60.24 O ATOM 294 CB MET A 23 10.453 1.547 -2.791 1.00 33.34 C ATOM 295 CG MET A 23 9.921 0.124 -2.950 1.00 34.12 C ATOM 296 SD MET A 23 9.057 -0.449 -1.473 1.00 21.41 S ATOM 297 CE MET A 23 8.623 -2.121 -1.946 1.00 54.54 C ATOM 0 H MET A 23 9.281 2.569 -4.729 1.00 4.50 H new ATOM 0 HA MET A 23 8.524 2.172 -2.071 1.00 43.40 H new ATOM 0 HB2 MET A 23 11.062 1.796 -3.660 1.00 33.34 H new ATOM 0 HB3 MET A 23 11.109 1.585 -1.921 1.00 33.34 H new ATOM 0 HG2 MET A 23 9.244 0.084 -3.803 1.00 34.12 H new ATOM 0 HG3 MET A 23 10.750 -0.550 -3.169 1.00 34.12 H new ATOM 0 HE1 MET A 23 8.449 -2.719 -1.051 1.00 54.54 H new ATOM 0 HE2 MET A 23 7.718 -2.104 -2.553 1.00 54.54 H new ATOM 0 HE3 MET A 23 9.438 -2.559 -2.522 1.00 54.54 H new ATOM 307 N ARG A 24 10.264 4.864 -2.546 1.00 64.34 N ATOM 308 CA ARG A 24 10.813 6.063 -1.909 1.00 60.34 C ATOM 309 C ARG A 24 9.751 6.769 -1.057 1.00 63.52 C ATOM 310 O ARG A 24 10.080 7.587 -0.194 1.00 33.14 O ATOM 311 CB ARG A 24 11.366 7.023 -2.978 1.00 23.03 C ATOM 312 CG ARG A 24 12.124 8.216 -2.401 1.00 33.21 C ATOM 313 CD ARG A 24 13.370 7.779 -1.639 1.00 54.24 C ATOM 314 NE ARG A 24 13.998 8.890 -0.922 1.00 44.22 N ATOM 315 CZ ARG A 24 15.230 8.848 -0.412 1.00 33.31 C ATOM 316 NH1 ARG A 24 16.003 7.789 -0.612 1.00 74.05 N ATOM 317 NH2 ARG A 24 15.694 9.871 0.291 1.00 23.54 N ATOM 0 H ARG A 24 10.209 4.919 -3.563 1.00 64.34 H new ATOM 0 HA ARG A 24 11.626 5.758 -1.250 1.00 60.34 H new ATOM 0 HB2 ARG A 24 12.030 6.469 -3.642 1.00 23.03 H new ATOM 0 HB3 ARG A 24 10.539 7.389 -3.587 1.00 23.03 H new ATOM 0 HG2 ARG A 24 12.409 8.891 -3.208 1.00 33.21 H new ATOM 0 HG3 ARG A 24 11.468 8.776 -1.735 1.00 33.21 H new ATOM 0 HD2 ARG A 24 13.104 6.995 -0.930 1.00 54.24 H new ATOM 0 HD3 ARG A 24 14.088 7.347 -2.337 1.00 54.24 H new ATOM 0 HE ARG A 24 13.461 9.749 -0.805 1.00 44.22 H new ATOM 0 HH11 ARG A 24 15.656 7.001 -1.158 1.00 74.05 H new ATOM 0 HH12 ARG A 24 16.944 7.763 -0.219 1.00 74.05 H new ATOM 0 HH21 ARG A 24 15.109 10.693 0.443 1.00 23.54 H new ATOM 0 HH22 ARG A 24 16.636 9.837 0.680 1.00 23.54 H new ATOM 331 N ASP A 25 8.483 6.437 -1.287 1.00 42.35 N ATOM 332 CA ASP A 25 7.377 7.067 -0.558 1.00 42.45 C ATOM 333 C ASP A 25 6.599 6.012 0.218 1.00 1.10 C ATOM 334 O ASP A 25 5.905 6.318 1.190 1.00 71.01 O ATOM 335 CB ASP A 25 6.439 7.817 -1.518 1.00 14.35 C ATOM 336 CG ASP A 25 7.139 8.943 -2.271 1.00 31.22 C ATOM 337 OD1 ASP A 25 7.630 9.893 -1.619 1.00 60.44 O ATOM 338 OD2 ASP A 25 7.192 8.889 -3.519 1.00 41.02 O ATOM 0 H ASP A 25 8.193 5.737 -1.970 1.00 42.35 H new ATOM 0 HA ASP A 25 7.796 7.791 0.141 1.00 42.45 H new ATOM 0 HB2 ASP A 25 6.022 7.111 -2.236 1.00 14.35 H new ATOM 0 HB3 ASP A 25 5.603 8.229 -0.953 1.00 14.35 H new ATOM 343 N VAL A 26 6.704 4.772 -0.248 1.00 35.53 N ATOM 344 CA VAL A 26 6.140 3.625 0.442 1.00 21.34 C ATOM 345 C VAL A 26 6.864 3.385 1.771 1.00 71.11 C ATOM 346 O VAL A 26 6.242 3.066 2.788 1.00 63.10 O ATOM 347 CB VAL A 26 6.226 2.364 -0.455 1.00 1.31 C ATOM 348 CG1 VAL A 26 5.931 1.104 0.340 1.00 22.44 C ATOM 349 CG2 VAL A 26 5.274 2.490 -1.645 1.00 72.13 C ATOM 0 H VAL A 26 7.184 4.537 -1.117 1.00 35.53 H new ATOM 0 HA VAL A 26 5.091 3.832 0.655 1.00 21.34 H new ATOM 0 HB VAL A 26 7.245 2.286 -0.834 1.00 1.31 H new ATOM 0 HG11 VAL A 26 5.999 0.236 -0.316 1.00 22.44 H new ATOM 0 HG12 VAL A 26 6.656 1.006 1.148 1.00 22.44 H new ATOM 0 HG13 VAL A 26 4.926 1.165 0.759 1.00 22.44 H new ATOM 0 HG21 VAL A 26 5.346 1.596 -2.265 1.00 72.13 H new ATOM 0 HG22 VAL A 26 4.252 2.599 -1.283 1.00 72.13 H new ATOM 0 HG23 VAL A 26 5.544 3.365 -2.236 1.00 72.13 H new ATOM 359 N VAL A 27 8.181 3.549 1.759 1.00 21.21 N ATOM 360 CA VAL A 27 8.978 3.410 2.970 1.00 71.22 C ATOM 361 C VAL A 27 9.082 4.763 3.669 1.00 40.31 C ATOM 362 O VAL A 27 8.965 5.804 3.021 1.00 11.31 O ATOM 363 CB VAL A 27 10.409 2.878 2.654 1.00 11.34 C ATOM 364 CG1 VAL A 27 11.277 3.954 1.995 1.00 70.04 C ATOM 365 CG2 VAL A 27 11.082 2.339 3.915 1.00 63.14 C ATOM 0 H VAL A 27 8.719 3.778 0.924 1.00 21.21 H new ATOM 0 HA VAL A 27 8.483 2.688 3.620 1.00 71.22 H new ATOM 0 HB VAL A 27 10.303 2.058 1.944 1.00 11.34 H new ATOM 0 HG11 VAL A 27 12.267 3.547 1.789 1.00 70.04 H new ATOM 0 HG12 VAL A 27 10.814 4.273 1.061 1.00 70.04 H new ATOM 0 HG13 VAL A 27 11.368 4.809 2.665 1.00 70.04 H new ATOM 0 HG21 VAL A 27 12.079 1.974 3.668 1.00 63.14 H new ATOM 0 HG22 VAL A 27 11.160 3.136 4.655 1.00 63.14 H new ATOM 0 HG23 VAL A 27 10.488 1.522 4.324 1.00 63.14 H new ATOM 375 N ASP A 28 9.272 4.749 4.984 1.00 61.53 N ATOM 376 CA ASP A 28 9.581 5.966 5.729 1.00 62.13 C ATOM 377 C ASP A 28 11.095 6.113 5.821 1.00 61.52 C ATOM 378 O ASP A 28 11.733 5.483 6.666 1.00 43.31 O ATOM 379 CB ASP A 28 8.971 5.935 7.141 1.00 22.43 C ATOM 380 CG ASP A 28 9.416 7.121 7.994 1.00 25.53 C ATOM 381 OD1 ASP A 28 8.846 8.223 7.842 1.00 60.33 O ATOM 382 OD2 ASP A 28 10.338 6.955 8.829 1.00 71.34 O ATOM 0 H ASP A 28 9.217 3.907 5.557 1.00 61.53 H new ATOM 0 HA ASP A 28 9.148 6.817 5.203 1.00 62.13 H new ATOM 0 HB2 ASP A 28 7.884 5.934 7.064 1.00 22.43 H new ATOM 0 HB3 ASP A 28 9.256 5.007 7.637 1.00 22.43 H new ATOM 387 N PRO A 29 11.701 6.924 4.934 1.00 5.33 N ATOM 388 CA PRO A 29 13.149 7.073 4.870 1.00 24.22 C ATOM 389 C PRO A 29 13.657 8.122 5.858 1.00 54.43 C ATOM 390 O PRO A 29 14.865 8.279 6.047 1.00 61.42 O ATOM 391 CB PRO A 29 13.367 7.506 3.415 1.00 22.21 C ATOM 392 CG PRO A 29 12.155 8.313 3.078 1.00 15.45 C ATOM 393 CD PRO A 29 11.023 7.772 3.927 1.00 72.41 C ATOM 0 HA PRO A 29 13.692 6.167 5.140 1.00 24.22 H new ATOM 0 HB2 PRO A 29 14.278 8.095 3.309 1.00 22.21 H new ATOM 0 HB3 PRO A 29 13.466 6.644 2.755 1.00 22.21 H new ATOM 0 HG2 PRO A 29 12.324 9.370 3.285 1.00 15.45 H new ATOM 0 HG3 PRO A 29 11.917 8.230 2.017 1.00 15.45 H new ATOM 0 HD2 PRO A 29 10.458 8.576 4.398 1.00 72.41 H new ATOM 0 HD3 PRO A 29 10.317 7.195 3.330 1.00 72.41 H new ATOM 401 N GLU A 30 12.723 8.834 6.493 1.00 74.54 N ATOM 402 CA GLU A 30 13.067 9.867 7.461 1.00 33.24 C ATOM 403 C GLU A 30 13.673 9.241 8.718 1.00 31.41 C ATOM 404 O GLU A 30 14.805 9.554 9.093 1.00 12.14 O ATOM 405 CB GLU A 30 11.824 10.693 7.824 1.00 44.42 C ATOM 406 CG GLU A 30 12.123 11.931 8.664 1.00 55.23 C ATOM 407 CD GLU A 30 12.982 12.946 7.926 1.00 30.33 C ATOM 408 OE1 GLU A 30 14.222 12.914 8.080 1.00 41.53 O ATOM 409 OE2 GLU A 30 12.419 13.771 7.179 1.00 12.10 O ATOM 0 H GLU A 30 11.721 8.710 6.350 1.00 74.54 H new ATOM 0 HA GLU A 30 13.807 10.529 7.012 1.00 33.24 H new ATOM 0 HB2 GLU A 30 11.325 11.002 6.905 1.00 44.42 H new ATOM 0 HB3 GLU A 30 11.125 10.058 8.368 1.00 44.42 H new ATOM 0 HG2 GLU A 30 11.185 12.401 8.959 1.00 55.23 H new ATOM 0 HG3 GLU A 30 12.630 11.630 9.581 1.00 55.23 H new ATOM 416 N LEU A 31 12.923 8.344 9.358 1.00 34.11 N ATOM 417 CA LEU A 31 13.408 7.651 10.554 1.00 15.33 C ATOM 418 C LEU A 31 13.872 6.241 10.198 1.00 44.33 C ATOM 419 O LEU A 31 14.610 5.611 10.957 1.00 33.24 O ATOM 420 CB LEU A 31 12.322 7.586 11.645 1.00 30.54 C ATOM 421 CG LEU A 31 11.895 8.929 12.271 1.00 41.35 C ATOM 422 CD1 LEU A 31 13.113 9.735 12.716 1.00 21.13 C ATOM 423 CD2 LEU A 31 11.025 9.736 11.308 1.00 61.32 C ATOM 0 H LEU A 31 11.981 8.080 9.071 1.00 34.11 H new ATOM 0 HA LEU A 31 14.251 8.219 10.947 1.00 15.33 H new ATOM 0 HB2 LEU A 31 11.438 7.112 11.219 1.00 30.54 H new ATOM 0 HB3 LEU A 31 12.679 6.935 12.443 1.00 30.54 H new ATOM 0 HG LEU A 31 11.295 8.709 13.154 1.00 41.35 H new ATOM 0 HD11 LEU A 31 12.785 10.678 13.154 1.00 21.13 H new ATOM 0 HD12 LEU A 31 13.675 9.166 13.457 1.00 21.13 H new ATOM 0 HD13 LEU A 31 13.750 9.937 11.855 1.00 21.13 H new ATOM 0 HD21 LEU A 31 10.740 10.677 11.777 1.00 61.32 H new ATOM 0 HD22 LEU A 31 11.585 9.941 10.396 1.00 61.32 H new ATOM 0 HD23 LEU A 31 10.129 9.166 11.063 1.00 61.32 H new ATOM 435 N GLY A 32 13.432 5.746 9.046 1.00 73.44 N ATOM 436 CA GLY A 32 13.890 4.454 8.564 1.00 1.15 C ATOM 437 C GLY A 32 12.978 3.318 8.986 1.00 53.44 C ATOM 438 O GLY A 32 13.424 2.347 9.601 1.00 40.23 O ATOM 0 H GLY A 32 12.765 6.217 8.435 1.00 73.44 H new ATOM 0 HA2 GLY A 32 13.955 4.478 7.476 1.00 1.15 H new ATOM 0 HA3 GLY A 32 14.896 4.266 8.939 1.00 1.15 H new ATOM 442 N ILE A 33 11.690 3.448 8.673 1.00 2.31 N ATOM 443 CA ILE A 33 10.714 2.386 8.937 1.00 1.32 C ATOM 444 C ILE A 33 10.124 1.909 7.617 1.00 41.05 C ATOM 445 O ILE A 33 9.895 2.706 6.712 1.00 1.11 O ATOM 446 CB ILE A 33 9.551 2.840 9.869 1.00 62.22 C ATOM 447 CG1 ILE A 33 10.069 3.228 11.267 1.00 14.02 C ATOM 448 CG2 ILE A 33 8.482 1.749 9.989 1.00 32.34 C ATOM 449 CD1 ILE A 33 10.803 4.548 11.317 1.00 10.43 C ATOM 0 H ILE A 33 11.295 4.280 8.235 1.00 2.31 H new ATOM 0 HA ILE A 33 11.248 1.585 9.449 1.00 1.32 H new ATOM 0 HB ILE A 33 9.099 3.722 9.414 1.00 62.22 H new ATOM 0 HG12 ILE A 33 9.225 3.269 11.955 1.00 14.02 H new ATOM 0 HG13 ILE A 33 10.734 2.442 11.625 1.00 14.02 H new ATOM 0 HG21 ILE A 33 7.683 2.093 10.645 1.00 32.34 H new ATOM 0 HG22 ILE A 33 8.073 1.531 9.003 1.00 32.34 H new ATOM 0 HG23 ILE A 33 8.929 0.846 10.405 1.00 32.34 H new ATOM 0 HD11 ILE A 33 11.133 4.743 12.338 1.00 10.43 H new ATOM 0 HD12 ILE A 33 11.670 4.508 10.657 1.00 10.43 H new ATOM 0 HD13 ILE A 33 10.137 5.347 10.992 1.00 10.43 H new ATOM 461 N ASN A 34 9.868 0.616 7.517 1.00 43.40 N ATOM 462 CA ASN A 34 9.351 0.027 6.284 1.00 4.42 C ATOM 463 C ASN A 34 8.067 -0.748 6.557 1.00 45.42 C ATOM 464 O ASN A 34 8.094 -1.810 7.181 1.00 32.10 O ATOM 465 CB ASN A 34 10.402 -0.888 5.639 1.00 63.23 C ATOM 466 CG ASN A 34 9.877 -1.607 4.405 1.00 34.34 C ATOM 467 OD1 ASN A 34 8.965 -1.128 3.730 1.00 61.31 O ATOM 468 ND2 ASN A 34 10.458 -2.755 4.096 1.00 65.14 N ATOM 0 H ASN A 34 10.009 -0.052 8.275 1.00 43.40 H new ATOM 0 HA ASN A 34 9.125 0.835 5.589 1.00 4.42 H new ATOM 0 HB2 ASN A 34 11.275 -0.295 5.365 1.00 63.23 H new ATOM 0 HB3 ASN A 34 10.734 -1.625 6.370 1.00 63.23 H new ATOM 0 HD21 ASN A 34 10.153 -3.276 3.274 1.00 65.14 H new ATOM 0 HD22 ASN A 34 11.211 -3.119 4.680 1.00 65.14 H new ATOM 475 N VAL A 35 6.948 -0.213 6.077 1.00 25.04 N ATOM 476 CA VAL A 35 5.639 -0.828 6.290 1.00 55.10 C ATOM 477 C VAL A 35 5.637 -2.284 5.814 1.00 51.44 C ATOM 478 O VAL A 35 5.132 -3.175 6.502 1.00 55.14 O ATOM 479 CB VAL A 35 4.518 -0.026 5.576 1.00 75.50 C ATOM 480 CG1 VAL A 35 4.409 1.382 6.164 1.00 22.52 C ATOM 481 CG2 VAL A 35 4.761 0.034 4.066 1.00 42.22 C ATOM 0 H VAL A 35 6.921 0.650 5.535 1.00 25.04 H new ATOM 0 HA VAL A 35 5.438 -0.813 7.361 1.00 55.10 H new ATOM 0 HB VAL A 35 3.573 -0.543 5.742 1.00 75.50 H new ATOM 0 HG11 VAL A 35 3.618 1.930 5.652 1.00 22.52 H new ATOM 0 HG12 VAL A 35 4.175 1.315 7.226 1.00 22.52 H new ATOM 0 HG13 VAL A 35 5.356 1.905 6.033 1.00 22.52 H new ATOM 0 HG21 VAL A 35 3.961 0.602 3.591 1.00 42.22 H new ATOM 0 HG22 VAL A 35 5.717 0.521 3.870 1.00 42.22 H new ATOM 0 HG23 VAL A 35 4.779 -0.977 3.660 1.00 42.22 H new ATOM 491 N VAL A 36 6.257 -2.525 4.661 1.00 34.12 N ATOM 492 CA VAL A 36 6.343 -3.869 4.093 1.00 22.11 C ATOM 493 C VAL A 36 7.002 -4.833 5.080 1.00 4.15 C ATOM 494 O VAL A 36 6.647 -6.013 5.153 1.00 22.24 O ATOM 495 CB VAL A 36 7.143 -3.868 2.764 1.00 52.23 C ATOM 496 CG1 VAL A 36 7.245 -5.279 2.174 1.00 34.05 C ATOM 497 CG2 VAL A 36 6.512 -2.900 1.763 1.00 11.12 C ATOM 0 H VAL A 36 6.709 -1.804 4.099 1.00 34.12 H new ATOM 0 HA VAL A 36 5.325 -4.201 3.890 1.00 22.11 H new ATOM 0 HB VAL A 36 8.156 -3.529 2.979 1.00 52.23 H new ATOM 0 HG11 VAL A 36 7.811 -5.244 1.243 1.00 34.05 H new ATOM 0 HG12 VAL A 36 7.752 -5.934 2.883 1.00 34.05 H new ATOM 0 HG13 VAL A 36 6.245 -5.664 1.976 1.00 34.05 H new ATOM 0 HG21 VAL A 36 7.085 -2.911 0.836 1.00 11.12 H new ATOM 0 HG22 VAL A 36 5.486 -3.205 1.559 1.00 11.12 H new ATOM 0 HG23 VAL A 36 6.515 -1.893 2.180 1.00 11.12 H new ATOM 507 N ASP A 37 7.925 -4.301 5.877 1.00 65.54 N ATOM 508 CA ASP A 37 8.726 -5.114 6.786 1.00 2.33 C ATOM 509 C ASP A 37 7.876 -5.641 7.944 1.00 73.31 C ATOM 510 O ASP A 37 8.291 -6.558 8.659 1.00 31.32 O ATOM 511 CB ASP A 37 9.937 -4.323 7.305 1.00 3.10 C ATOM 512 CG ASP A 37 10.956 -5.209 8.009 1.00 34.53 C ATOM 513 OD1 ASP A 37 11.310 -4.922 9.174 1.00 32.52 O ATOM 514 OD2 ASP A 37 11.399 -6.206 7.400 1.00 64.21 O ATOM 0 H ASP A 37 8.137 -3.304 5.911 1.00 65.54 H new ATOM 0 HA ASP A 37 9.100 -5.973 6.229 1.00 2.33 H new ATOM 0 HB2 ASP A 37 10.419 -3.814 6.470 1.00 3.10 H new ATOM 0 HB3 ASP A 37 9.594 -3.551 7.994 1.00 3.10 H new ATOM 519 N LEU A 38 6.680 -5.063 8.131 1.00 53.22 N ATOM 520 CA LEU A 38 5.731 -5.574 9.129 1.00 11.30 C ATOM 521 C LEU A 38 5.292 -6.993 8.759 1.00 75.30 C ATOM 522 O LEU A 38 4.752 -7.728 9.585 1.00 41.23 O ATOM 523 CB LEU A 38 4.509 -4.647 9.263 1.00 63.53 C ATOM 524 CG LEU A 38 4.703 -3.402 10.151 1.00 71.45 C ATOM 525 CD1 LEU A 38 4.979 -3.805 11.598 1.00 23.03 C ATOM 526 CD2 LEU A 38 5.827 -2.513 9.621 1.00 45.52 C ATOM 0 H LEU A 38 6.350 -4.250 7.610 1.00 53.22 H new ATOM 0 HA LEU A 38 6.234 -5.601 10.095 1.00 11.30 H new ATOM 0 HB2 LEU A 38 4.217 -4.317 8.266 1.00 63.53 H new ATOM 0 HB3 LEU A 38 3.678 -5.228 9.662 1.00 63.53 H new ATOM 0 HG LEU A 38 3.777 -2.828 10.122 1.00 71.45 H new ATOM 0 HD11 LEU A 38 5.113 -2.910 12.206 1.00 23.03 H new ATOM 0 HD12 LEU A 38 4.138 -4.382 11.982 1.00 23.03 H new ATOM 0 HD13 LEU A 38 5.884 -4.411 11.641 1.00 23.03 H new ATOM 0 HD21 LEU A 38 5.939 -1.643 10.269 1.00 45.52 H new ATOM 0 HD22 LEU A 38 6.760 -3.077 9.605 1.00 45.52 H new ATOM 0 HD23 LEU A 38 5.585 -2.184 8.610 1.00 45.52 H new ATOM 538 N GLY A 39 5.518 -7.350 7.498 1.00 11.34 N ATOM 539 CA GLY A 39 5.318 -8.711 7.033 1.00 60.51 C ATOM 540 C GLY A 39 3.862 -9.126 6.918 1.00 12.14 C ATOM 541 O GLY A 39 3.557 -10.317 6.935 1.00 74.22 O ATOM 0 H GLY A 39 5.843 -6.706 6.777 1.00 11.34 H new ATOM 0 HA2 GLY A 39 5.793 -8.823 6.058 1.00 60.51 H new ATOM 0 HA3 GLY A 39 5.825 -9.393 7.715 1.00 60.51 H new ATOM 545 N LEU A 40 2.957 -8.160 6.783 1.00 60.00 N ATOM 546 CA LEU A 40 1.563 -8.470 6.455 1.00 54.00 C ATOM 547 C LEU A 40 1.316 -8.291 4.965 1.00 63.12 C ATOM 548 O LEU A 40 0.459 -8.956 4.381 1.00 23.31 O ATOM 549 CB LEU A 40 0.573 -7.598 7.252 1.00 42.45 C ATOM 550 CG LEU A 40 -0.071 -8.266 8.481 1.00 41.32 C ATOM 551 CD1 LEU A 40 -1.281 -7.459 8.942 1.00 5.53 C ATOM 552 CD2 LEU A 40 -0.476 -9.706 8.174 1.00 43.21 C ATOM 0 H LEU A 40 3.158 -7.166 6.894 1.00 60.00 H new ATOM 0 HA LEU A 40 1.393 -9.510 6.732 1.00 54.00 H new ATOM 0 HB2 LEU A 40 1.094 -6.699 7.582 1.00 42.45 H new ATOM 0 HB3 LEU A 40 -0.222 -7.276 6.579 1.00 42.45 H new ATOM 0 HG LEU A 40 0.666 -8.289 9.284 1.00 41.32 H new ATOM 0 HD11 LEU A 40 -1.729 -7.940 9.812 1.00 5.53 H new ATOM 0 HD12 LEU A 40 -0.966 -6.450 9.208 1.00 5.53 H new ATOM 0 HD13 LEU A 40 -2.014 -7.410 8.137 1.00 5.53 H new ATOM 0 HD21 LEU A 40 -0.928 -10.153 9.059 1.00 43.21 H new ATOM 0 HD22 LEU A 40 -1.196 -9.715 7.355 1.00 43.21 H new ATOM 0 HD23 LEU A 40 0.406 -10.279 7.888 1.00 43.21 H new ATOM 564 N VAL A 41 2.104 -7.416 4.352 1.00 2.13 N ATOM 565 CA VAL A 41 1.853 -6.971 2.986 1.00 1.32 C ATOM 566 C VAL A 41 1.959 -8.125 1.979 1.00 54.03 C ATOM 567 O VAL A 41 1.561 -7.993 0.823 1.00 75.54 O ATOM 568 CB VAL A 41 2.826 -5.827 2.591 1.00 11.42 C ATOM 569 CG1 VAL A 41 2.485 -5.254 1.214 1.00 74.11 C ATOM 570 CG2 VAL A 41 2.821 -4.726 3.652 1.00 22.24 C ATOM 0 H VAL A 41 2.928 -6.998 4.783 1.00 2.13 H new ATOM 0 HA VAL A 41 0.831 -6.594 2.955 1.00 1.32 H new ATOM 0 HB VAL A 41 3.830 -6.248 2.534 1.00 11.42 H new ATOM 0 HG11 VAL A 41 3.185 -4.456 0.969 1.00 74.11 H new ATOM 0 HG12 VAL A 41 2.556 -6.042 0.464 1.00 74.11 H new ATOM 0 HG13 VAL A 41 1.471 -4.856 1.227 1.00 74.11 H new ATOM 0 HG21 VAL A 41 3.509 -3.934 3.357 1.00 22.24 H new ATOM 0 HG22 VAL A 41 1.815 -4.317 3.747 1.00 22.24 H new ATOM 0 HG23 VAL A 41 3.135 -5.142 4.609 1.00 22.24 H new ATOM 580 N TYR A 42 2.489 -9.263 2.429 1.00 34.01 N ATOM 581 CA TYR A 42 2.562 -10.462 1.595 1.00 14.12 C ATOM 582 C TYR A 42 1.153 -10.921 1.215 1.00 61.21 C ATOM 583 O TYR A 42 0.966 -11.701 0.276 1.00 53.12 O ATOM 584 CB TYR A 42 3.319 -11.579 2.329 1.00 32.03 C ATOM 585 CG TYR A 42 4.764 -11.229 2.642 1.00 12.04 C ATOM 586 CD1 TYR A 42 5.778 -11.468 1.720 1.00 13.04 C ATOM 587 CD2 TYR A 42 5.112 -10.655 3.860 1.00 5.31 C ATOM 588 CE1 TYR A 42 7.094 -11.145 2.002 1.00 44.23 C ATOM 589 CE2 TYR A 42 6.425 -10.330 4.149 1.00 73.20 C ATOM 590 CZ TYR A 42 7.411 -10.577 3.218 1.00 33.43 C ATOM 591 OH TYR A 42 8.719 -10.248 3.506 1.00 72.33 O ATOM 0 H TYR A 42 2.874 -9.379 3.366 1.00 34.01 H new ATOM 0 HA TYR A 42 3.108 -10.225 0.682 1.00 14.12 H new ATOM 0 HB2 TYR A 42 2.799 -11.808 3.259 1.00 32.03 H new ATOM 0 HB3 TYR A 42 3.296 -12.483 1.720 1.00 32.03 H new ATOM 0 HD1 TYR A 42 5.534 -11.914 0.767 1.00 13.04 H new ATOM 0 HD2 TYR A 42 4.343 -10.460 4.593 1.00 5.31 H new ATOM 0 HE1 TYR A 42 7.868 -11.337 1.274 1.00 44.23 H new ATOM 0 HE2 TYR A 42 6.677 -9.885 5.100 1.00 73.20 H new ATOM 0 HH TYR A 42 8.768 -9.857 4.403 1.00 72.33 H new ATOM 601 N GLY A 43 0.166 -10.428 1.963 1.00 51.55 N ATOM 602 CA GLY A 43 -1.228 -10.644 1.627 1.00 44.43 C ATOM 603 C GLY A 43 -1.731 -9.561 0.694 1.00 52.52 C ATOM 604 O GLY A 43 -2.611 -8.768 1.049 1.00 61.03 O ATOM 0 H GLY A 43 0.314 -9.875 2.807 1.00 51.55 H new ATOM 0 HA2 GLY A 43 -1.346 -11.620 1.156 1.00 44.43 H new ATOM 0 HA3 GLY A 43 -1.829 -10.654 2.537 1.00 44.43 H new ATOM 608 N LEU A 44 -1.145 -9.514 -0.494 1.00 74.54 N ATOM 609 CA LEU A 44 -1.479 -8.504 -1.491 1.00 14.10 C ATOM 610 C LEU A 44 -1.860 -9.194 -2.796 1.00 21.42 C ATOM 611 O LEU A 44 -1.130 -10.058 -3.286 1.00 5.04 O ATOM 612 CB LEU A 44 -0.277 -7.555 -1.698 1.00 2.34 C ATOM 613 CG LEU A 44 -0.566 -6.203 -2.396 1.00 13.14 C ATOM 614 CD1 LEU A 44 0.633 -5.263 -2.253 1.00 74.21 C ATOM 615 CD2 LEU A 44 -0.911 -6.388 -3.875 1.00 62.23 C ATOM 0 H LEU A 44 -0.426 -10.173 -0.794 1.00 74.54 H new ATOM 0 HA LEU A 44 -2.326 -7.910 -1.148 1.00 14.10 H new ATOM 0 HB2 LEU A 44 0.163 -7.346 -0.723 1.00 2.34 H new ATOM 0 HB3 LEU A 44 0.477 -8.084 -2.281 1.00 2.34 H new ATOM 0 HG LEU A 44 -1.433 -5.761 -1.904 1.00 13.14 H new ATOM 0 HD11 LEU A 44 0.415 -4.317 -2.749 1.00 74.21 H new ATOM 0 HD12 LEU A 44 0.830 -5.082 -1.196 1.00 74.21 H new ATOM 0 HD13 LEU A 44 1.510 -5.719 -2.712 1.00 74.21 H new ATOM 0 HD21 LEU A 44 -1.107 -5.416 -4.327 1.00 62.23 H new ATOM 0 HD22 LEU A 44 -0.075 -6.865 -4.387 1.00 62.23 H new ATOM 0 HD23 LEU A 44 -1.798 -7.016 -3.966 1.00 62.23 H new ATOM 627 N ASP A 45 -3.008 -8.814 -3.341 1.00 20.22 N ATOM 628 CA ASP A 45 -3.493 -9.336 -4.621 1.00 41.51 C ATOM 629 C ASP A 45 -4.311 -8.258 -5.300 1.00 14.14 C ATOM 630 O ASP A 45 -4.544 -7.210 -4.717 1.00 43.44 O ATOM 631 CB ASP A 45 -4.360 -10.596 -4.437 1.00 43.21 C ATOM 632 CG ASP A 45 -3.548 -11.853 -4.177 1.00 15.14 C ATOM 633 OD1 ASP A 45 -3.007 -12.429 -5.151 1.00 14.34 O ATOM 634 OD2 ASP A 45 -3.466 -12.292 -3.011 1.00 21.33 O ATOM 0 H ASP A 45 -3.634 -8.134 -2.910 1.00 20.22 H new ATOM 0 HA ASP A 45 -2.632 -9.615 -5.228 1.00 41.51 H new ATOM 0 HB2 ASP A 45 -5.047 -10.437 -3.606 1.00 43.21 H new ATOM 0 HB3 ASP A 45 -4.968 -10.743 -5.329 1.00 43.21 H new ATOM 639 N VAL A 46 -4.728 -8.494 -6.536 1.00 43.05 N ATOM 640 CA VAL A 46 -5.644 -7.583 -7.215 1.00 40.52 C ATOM 641 C VAL A 46 -6.719 -8.391 -7.937 1.00 1.14 C ATOM 642 O VAL A 46 -6.415 -9.372 -8.620 1.00 44.31 O ATOM 643 CB VAL A 46 -4.917 -6.637 -8.216 1.00 13.43 C ATOM 644 CG1 VAL A 46 -3.835 -5.812 -7.519 1.00 0.23 C ATOM 645 CG2 VAL A 46 -4.320 -7.417 -9.378 1.00 4.11 C ATOM 0 H VAL A 46 -4.449 -9.305 -7.089 1.00 43.05 H new ATOM 0 HA VAL A 46 -6.099 -6.946 -6.456 1.00 40.52 H new ATOM 0 HB VAL A 46 -5.666 -5.951 -8.612 1.00 13.43 H new ATOM 0 HG11 VAL A 46 -3.347 -5.163 -8.246 1.00 0.23 H new ATOM 0 HG12 VAL A 46 -4.289 -5.204 -6.736 1.00 0.23 H new ATOM 0 HG13 VAL A 46 -3.096 -6.480 -7.077 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -3.819 -6.729 -10.059 1.00 4.11 H new ATOM 0 HG22 VAL A 46 -3.599 -8.140 -8.998 1.00 4.11 H new ATOM 0 HG23 VAL A 46 -5.114 -7.941 -9.910 1.00 4.11 H new ATOM 655 N GLN A 47 -7.973 -7.994 -7.762 1.00 43.34 N ATOM 656 CA GLN A 47 -9.098 -8.700 -8.375 1.00 0.50 C ATOM 657 C GLN A 47 -9.874 -7.749 -9.268 1.00 21.30 C ATOM 658 O GLN A 47 -9.978 -6.558 -8.977 1.00 12.00 O ATOM 659 CB GLN A 47 -10.020 -9.304 -7.303 1.00 22.54 C ATOM 660 CG GLN A 47 -10.591 -8.285 -6.319 1.00 1.45 C ATOM 661 CD GLN A 47 -11.495 -8.912 -5.265 1.00 54.52 C ATOM 662 OE1 GLN A 47 -12.417 -8.272 -4.755 1.00 71.54 O ATOM 663 NE2 GLN A 47 -11.236 -10.166 -4.918 1.00 63.32 N ATOM 0 H GLN A 47 -8.240 -7.186 -7.200 1.00 43.34 H new ATOM 0 HA GLN A 47 -8.707 -9.519 -8.979 1.00 0.50 H new ATOM 0 HB2 GLN A 47 -10.845 -9.817 -7.797 1.00 22.54 H new ATOM 0 HB3 GLN A 47 -9.464 -10.058 -6.746 1.00 22.54 H new ATOM 0 HG2 GLN A 47 -9.769 -7.768 -5.823 1.00 1.45 H new ATOM 0 HG3 GLN A 47 -11.154 -7.532 -6.871 1.00 1.45 H new ATOM 0 HE21 GLN A 47 -10.466 -10.668 -5.359 1.00 63.32 H new ATOM 0 HE22 GLN A 47 -11.807 -10.628 -4.210 1.00 63.32 H new ATOM 672 N ASP A 48 -10.411 -8.269 -10.360 1.00 14.52 N ATOM 673 CA ASP A 48 -11.114 -7.439 -11.326 1.00 74.30 C ATOM 674 C ASP A 48 -12.624 -7.549 -11.148 1.00 41.04 C ATOM 675 O ASP A 48 -13.179 -8.647 -11.036 1.00 74.34 O ATOM 676 CB ASP A 48 -10.726 -7.823 -12.766 1.00 42.54 C ATOM 677 CG ASP A 48 -11.409 -9.095 -13.264 1.00 53.52 C ATOM 678 OD1 ASP A 48 -11.015 -10.200 -12.827 1.00 74.41 O ATOM 679 OD2 ASP A 48 -12.343 -8.990 -14.097 1.00 5.14 O ATOM 0 H ASP A 48 -10.374 -9.260 -10.600 1.00 14.52 H new ATOM 0 HA ASP A 48 -10.818 -6.405 -11.147 1.00 74.30 H new ATOM 0 HB2 ASP A 48 -10.979 -6.999 -13.434 1.00 42.54 H new ATOM 0 HB3 ASP A 48 -9.645 -7.956 -12.819 1.00 42.54 H new ATOM 684 N GLY A 49 -13.271 -6.402 -11.060 1.00 43.42 N ATOM 685 CA GLY A 49 -14.703 -6.337 -11.237 1.00 35.24 C ATOM 686 C GLY A 49 -14.997 -6.072 -12.693 1.00 43.41 C ATOM 687 O GLY A 49 -14.097 -5.664 -13.432 1.00 3.32 O ATOM 0 H GLY A 49 -12.825 -5.505 -10.867 1.00 43.42 H new ATOM 0 HA2 GLY A 49 -15.166 -7.272 -10.922 1.00 35.24 H new ATOM 0 HA3 GLY A 49 -15.125 -5.547 -10.616 1.00 35.24 H new ATOM 691 N ASP A 50 -16.228 -6.286 -13.131 1.00 24.55 N ATOM 692 CA ASP A 50 -16.552 -6.085 -14.541 1.00 41.44 C ATOM 693 C ASP A 50 -16.405 -4.608 -14.903 1.00 51.24 C ATOM 694 O ASP A 50 -16.249 -4.250 -16.072 1.00 51.03 O ATOM 695 CB ASP A 50 -17.964 -6.581 -14.874 1.00 53.23 C ATOM 696 CG ASP A 50 -18.222 -6.590 -16.375 1.00 65.32 C ATOM 697 OD1 ASP A 50 -18.888 -5.660 -16.879 1.00 34.15 O ATOM 698 OD2 ASP A 50 -17.738 -7.523 -17.060 1.00 23.10 O ATOM 0 H ASP A 50 -17.007 -6.592 -12.548 1.00 24.55 H new ATOM 0 HA ASP A 50 -15.852 -6.672 -15.135 1.00 41.44 H new ATOM 0 HB2 ASP A 50 -18.099 -7.587 -14.476 1.00 53.23 H new ATOM 0 HB3 ASP A 50 -18.699 -5.943 -14.383 1.00 53.23 H new ATOM 703 N GLU A 51 -16.430 -3.763 -13.877 1.00 41.24 N ATOM 704 CA GLU A 51 -16.254 -2.323 -14.037 1.00 4.13 C ATOM 705 C GLU A 51 -14.774 -1.998 -14.239 1.00 54.34 C ATOM 706 O GLU A 51 -14.412 -1.132 -15.037 1.00 2.15 O ATOM 707 CB GLU A 51 -16.776 -1.563 -12.799 1.00 74.30 C ATOM 708 CG GLU A 51 -18.135 -2.032 -12.272 1.00 54.44 C ATOM 709 CD GLU A 51 -18.051 -3.348 -11.509 1.00 53.25 C ATOM 710 OE1 GLU A 51 -17.563 -3.345 -10.361 1.00 32.22 O ATOM 711 OE2 GLU A 51 -18.448 -4.394 -12.060 1.00 71.35 O ATOM 0 H GLU A 51 -16.573 -4.057 -12.911 1.00 41.24 H new ATOM 0 HA GLU A 51 -16.825 -2.007 -14.910 1.00 4.13 H new ATOM 0 HB2 GLU A 51 -16.042 -1.657 -11.999 1.00 74.30 H new ATOM 0 HB3 GLU A 51 -16.846 -0.504 -13.045 1.00 74.30 H new ATOM 0 HG2 GLU A 51 -18.551 -1.265 -11.619 1.00 54.44 H new ATOM 0 HG3 GLU A 51 -18.824 -2.146 -13.109 1.00 54.44 H new ATOM 718 N GLY A 52 -13.924 -2.711 -13.502 1.00 51.00 N ATOM 719 CA GLY A 52 -12.493 -2.479 -13.551 1.00 13.34 C ATOM 720 C GLY A 52 -11.758 -3.267 -12.485 1.00 64.23 C ATOM 721 O GLY A 52 -12.383 -3.857 -11.600 1.00 50.34 O ATOM 0 H GLY A 52 -14.209 -3.454 -12.864 1.00 51.00 H new ATOM 0 HA2 GLY A 52 -12.113 -2.756 -14.534 1.00 13.34 H new ATOM 0 HA3 GLY A 52 -12.292 -1.416 -13.420 1.00 13.34 H new ATOM 725 N THR A 53 -10.435 -3.279 -12.571 1.00 42.25 N ATOM 726 CA THR A 53 -9.600 -4.022 -11.631 1.00 70.30 C ATOM 727 C THR A 53 -9.303 -3.194 -10.375 1.00 42.43 C ATOM 728 O THR A 53 -8.868 -2.041 -10.467 1.00 43.34 O ATOM 729 CB THR A 53 -8.273 -4.449 -12.302 1.00 52.44 C ATOM 730 OG1 THR A 53 -8.555 -5.144 -13.528 1.00 34.31 O ATOM 731 CG2 THR A 53 -7.451 -5.349 -11.380 1.00 42.01 C ATOM 0 H THR A 53 -9.911 -2.778 -13.289 1.00 42.25 H new ATOM 0 HA THR A 53 -10.153 -4.913 -11.333 1.00 70.30 H new ATOM 0 HB THR A 53 -7.691 -3.551 -12.509 1.00 52.44 H new ATOM 0 HG1 THR A 53 -7.714 -5.412 -13.953 1.00 34.31 H new ATOM 0 HG21 THR A 53 -6.525 -5.632 -11.879 1.00 42.01 H new ATOM 0 HG22 THR A 53 -7.218 -4.812 -10.461 1.00 42.01 H new ATOM 0 HG23 THR A 53 -8.023 -6.245 -11.142 1.00 42.01 H new ATOM 739 N VAL A 54 -9.547 -3.793 -9.209 1.00 25.41 N ATOM 740 CA VAL A 54 -9.281 -3.156 -7.921 1.00 72.51 C ATOM 741 C VAL A 54 -8.230 -3.952 -7.144 1.00 44.52 C ATOM 742 O VAL A 54 -8.221 -5.186 -7.176 1.00 43.24 O ATOM 743 CB VAL A 54 -10.580 -3.023 -7.075 1.00 62.25 C ATOM 744 CG1 VAL A 54 -11.207 -4.390 -6.807 1.00 63.31 C ATOM 745 CG2 VAL A 54 -10.309 -2.281 -5.764 1.00 11.50 C ATOM 0 H VAL A 54 -9.935 -4.733 -9.132 1.00 25.41 H new ATOM 0 HA VAL A 54 -8.901 -2.153 -8.117 1.00 72.51 H new ATOM 0 HB VAL A 54 -11.293 -2.436 -7.654 1.00 62.25 H new ATOM 0 HG11 VAL A 54 -12.113 -4.265 -6.214 1.00 63.31 H new ATOM 0 HG12 VAL A 54 -11.457 -4.868 -7.754 1.00 63.31 H new ATOM 0 HG13 VAL A 54 -10.499 -5.014 -6.261 1.00 63.31 H new ATOM 0 HG21 VAL A 54 -11.234 -2.202 -5.193 1.00 11.50 H new ATOM 0 HG22 VAL A 54 -9.568 -2.829 -5.182 1.00 11.50 H new ATOM 0 HG23 VAL A 54 -9.931 -1.282 -5.983 1.00 11.50 H new ATOM 755 N ALA A 55 -7.335 -3.240 -6.470 1.00 31.22 N ATOM 756 CA ALA A 55 -6.260 -3.870 -5.703 1.00 71.53 C ATOM 757 C ALA A 55 -6.734 -4.249 -4.294 1.00 74.23 C ATOM 758 O ALA A 55 -7.668 -3.651 -3.765 1.00 41.55 O ATOM 759 CB ALA A 55 -5.054 -2.939 -5.621 1.00 44.31 C ATOM 0 H ALA A 55 -7.330 -2.221 -6.437 1.00 31.22 H new ATOM 0 HA ALA A 55 -5.968 -4.785 -6.219 1.00 71.53 H new ATOM 0 HB1 ALA A 55 -4.261 -3.420 -5.048 1.00 44.31 H new ATOM 0 HB2 ALA A 55 -4.694 -2.721 -6.626 1.00 44.31 H new ATOM 0 HB3 ALA A 55 -5.344 -2.010 -5.130 1.00 44.31 H new ATOM 765 N LEU A 56 -6.083 -5.248 -3.707 1.00 13.33 N ATOM 766 CA LEU A 56 -6.373 -5.707 -2.346 1.00 71.43 C ATOM 767 C LEU A 56 -5.076 -5.761 -1.544 1.00 13.44 C ATOM 768 O LEU A 56 -4.131 -6.453 -1.937 1.00 3.22 O ATOM 769 CB LEU A 56 -6.994 -7.110 -2.359 1.00 44.11 C ATOM 770 CG LEU A 56 -8.263 -7.282 -3.203 1.00 55.22 C ATOM 771 CD1 LEU A 56 -8.734 -8.732 -3.150 1.00 21.22 C ATOM 772 CD2 LEU A 56 -9.367 -6.334 -2.736 1.00 52.44 C ATOM 0 H LEU A 56 -5.333 -5.768 -4.163 1.00 13.33 H new ATOM 0 HA LEU A 56 -7.078 -5.009 -1.895 1.00 71.43 H new ATOM 0 HB2 LEU A 56 -6.244 -7.813 -2.721 1.00 44.11 H new ATOM 0 HB3 LEU A 56 -7.225 -7.392 -1.332 1.00 44.11 H new ATOM 0 HG LEU A 56 -8.027 -7.029 -4.237 1.00 55.22 H new ATOM 0 HD11 LEU A 56 -9.636 -8.844 -3.752 1.00 21.22 H new ATOM 0 HD12 LEU A 56 -7.953 -9.383 -3.542 1.00 21.22 H new ATOM 0 HD13 LEU A 56 -8.951 -9.007 -2.118 1.00 21.22 H new ATOM 0 HD21 LEU A 56 -10.255 -6.478 -3.352 1.00 52.44 H new ATOM 0 HD22 LEU A 56 -9.610 -6.544 -1.694 1.00 52.44 H new ATOM 0 HD23 LEU A 56 -9.025 -5.303 -2.828 1.00 52.44 H new ATOM 784 N ILE A 57 -5.028 -5.043 -0.425 1.00 21.31 N ATOM 785 CA ILE A 57 -3.824 -5.013 0.411 1.00 15.25 C ATOM 786 C ILE A 57 -4.165 -5.280 1.879 1.00 45.11 C ATOM 787 O ILE A 57 -4.888 -4.502 2.503 1.00 72.15 O ATOM 788 CB ILE A 57 -3.092 -3.649 0.304 1.00 40.32 C ATOM 789 CG1 ILE A 57 -2.778 -3.316 -1.165 1.00 2.04 C ATOM 790 CG2 ILE A 57 -1.807 -3.665 1.135 1.00 40.30 C ATOM 791 CD1 ILE A 57 -2.089 -1.979 -1.358 1.00 2.04 C ATOM 0 H ILE A 57 -5.801 -4.477 -0.075 1.00 21.31 H new ATOM 0 HA ILE A 57 -3.166 -5.800 0.043 1.00 15.25 H new ATOM 0 HB ILE A 57 -3.750 -2.875 0.698 1.00 40.32 H new ATOM 0 HG12 ILE A 57 -2.146 -4.102 -1.579 1.00 2.04 H new ATOM 0 HG13 ILE A 57 -3.707 -3.321 -1.735 1.00 2.04 H new ATOM 0 HG21 ILE A 57 -1.306 -2.701 1.049 1.00 40.30 H new ATOM 0 HG22 ILE A 57 -2.052 -3.855 2.180 1.00 40.30 H new ATOM 0 HG23 ILE A 57 -1.147 -4.451 0.769 1.00 40.30 H new ATOM 0 HD11 ILE A 57 -1.901 -1.816 -2.419 1.00 2.04 H new ATOM 0 HD12 ILE A 57 -2.727 -1.182 -0.976 1.00 2.04 H new ATOM 0 HD13 ILE A 57 -1.143 -1.976 -0.817 1.00 2.04 H new ATOM 803 N ASP A 58 -3.644 -6.383 2.418 1.00 4.34 N ATOM 804 CA ASP A 58 -3.791 -6.704 3.843 1.00 52.12 C ATOM 805 C ASP A 58 -2.700 -5.981 4.639 1.00 70.10 C ATOM 806 O ASP A 58 -1.509 -6.198 4.403 1.00 5.23 O ATOM 807 CB ASP A 58 -3.710 -8.230 4.044 1.00 54.24 C ATOM 808 CG ASP A 58 -3.808 -8.676 5.493 1.00 31.03 C ATOM 809 OD1 ASP A 58 -2.808 -8.580 6.227 1.00 1.10 O ATOM 810 OD2 ASP A 58 -4.876 -9.189 5.888 1.00 64.24 O ATOM 0 H ASP A 58 -3.113 -7.074 1.888 1.00 4.34 H new ATOM 0 HA ASP A 58 -4.763 -6.367 4.203 1.00 52.12 H new ATOM 0 HB2 ASP A 58 -4.511 -8.703 3.476 1.00 54.24 H new ATOM 0 HB3 ASP A 58 -2.769 -8.590 3.628 1.00 54.24 H new ATOM 815 N MET A 59 -3.107 -5.103 5.557 1.00 31.14 N ATOM 816 CA MET A 59 -2.160 -4.260 6.298 1.00 13.24 C ATOM 817 C MET A 59 -2.547 -4.124 7.768 1.00 1.12 C ATOM 818 O MET A 59 -3.631 -4.526 8.181 1.00 41.23 O ATOM 819 CB MET A 59 -2.072 -2.863 5.655 1.00 4.50 C ATOM 820 CG MET A 59 -1.024 -2.750 4.555 1.00 71.02 C ATOM 821 SD MET A 59 0.665 -2.829 5.195 1.00 10.12 S ATOM 822 CE MET A 59 0.718 -1.359 6.219 1.00 11.34 C ATOM 0 H MET A 59 -4.085 -4.955 5.807 1.00 31.14 H new ATOM 0 HA MET A 59 -1.187 -4.748 6.250 1.00 13.24 H new ATOM 0 HB2 MET A 59 -3.047 -2.603 5.242 1.00 4.50 H new ATOM 0 HB3 MET A 59 -1.849 -2.131 6.431 1.00 4.50 H new ATOM 0 HG2 MET A 59 -1.173 -3.552 3.832 1.00 71.02 H new ATOM 0 HG3 MET A 59 -1.163 -1.810 4.021 1.00 71.02 H new ATOM 0 HE1 MET A 59 1.701 -1.273 6.682 1.00 11.34 H new ATOM 0 HE2 MET A 59 0.528 -0.480 5.603 1.00 11.34 H new ATOM 0 HE3 MET A 59 -0.043 -1.429 6.996 1.00 11.34 H new ATOM 832 N THR A 60 -1.635 -3.543 8.543 1.00 55.21 N ATOM 833 CA THR A 60 -1.856 -3.269 9.956 1.00 32.31 C ATOM 834 C THR A 60 -0.993 -2.085 10.384 1.00 24.41 C ATOM 835 O THR A 60 -0.243 -1.530 9.575 1.00 12.24 O ATOM 836 CB THR A 60 -1.534 -4.495 10.849 1.00 44.14 C ATOM 837 OG1 THR A 60 -2.010 -4.268 12.183 1.00 62.33 O ATOM 838 CG2 THR A 60 -0.034 -4.782 10.886 1.00 50.42 C ATOM 0 H THR A 60 -0.719 -3.249 8.205 1.00 55.21 H new ATOM 0 HA THR A 60 -2.913 -3.037 10.086 1.00 32.31 H new ATOM 0 HB THR A 60 -2.037 -5.361 10.419 1.00 44.14 H new ATOM 0 HG1 THR A 60 -2.930 -4.596 12.262 1.00 62.33 H new ATOM 0 HG21 THR A 60 0.155 -5.647 11.521 1.00 50.42 H new ATOM 0 HG22 THR A 60 0.322 -4.988 9.877 1.00 50.42 H new ATOM 0 HG23 THR A 60 0.492 -3.916 11.287 1.00 50.42 H new ATOM 846 N LEU A 61 -1.103 -1.700 11.649 1.00 35.44 N ATOM 847 CA LEU A 61 -0.370 -0.556 12.181 1.00 4.54 C ATOM 848 C LEU A 61 0.529 -1.001 13.333 1.00 20.55 C ATOM 849 O LEU A 61 0.254 -2.010 13.977 1.00 12.04 O ATOM 850 CB LEU A 61 -1.359 0.524 12.646 1.00 15.11 C ATOM 851 CG LEU A 61 -2.364 0.982 11.571 1.00 40.40 C ATOM 852 CD1 LEU A 61 -3.391 1.944 12.157 1.00 1.00 C ATOM 853 CD2 LEU A 61 -1.638 1.624 10.388 1.00 21.01 C ATOM 0 H LEU A 61 -1.699 -2.168 12.332 1.00 35.44 H new ATOM 0 HA LEU A 61 0.261 -0.135 11.398 1.00 4.54 H new ATOM 0 HB2 LEU A 61 -1.913 0.144 13.504 1.00 15.11 H new ATOM 0 HB3 LEU A 61 -0.794 1.391 12.989 1.00 15.11 H new ATOM 0 HG LEU A 61 -2.894 0.100 11.210 1.00 40.40 H new ATOM 0 HD11 LEU A 61 -4.088 2.252 11.377 1.00 1.00 H new ATOM 0 HD12 LEU A 61 -3.939 1.448 12.958 1.00 1.00 H new ATOM 0 HD13 LEU A 61 -2.882 2.822 12.555 1.00 1.00 H new ATOM 0 HD21 LEU A 61 -2.367 1.940 9.642 1.00 21.01 H new ATOM 0 HD22 LEU A 61 -1.074 2.490 10.734 1.00 21.01 H new ATOM 0 HD23 LEU A 61 -0.955 0.900 9.944 1.00 21.01 H new ATOM 865 N THR A 62 1.583 -0.227 13.592 1.00 75.01 N ATOM 866 CA THR A 62 2.598 -0.568 14.593 1.00 2.33 C ATOM 867 C THR A 62 1.979 -1.007 15.924 1.00 51.31 C ATOM 868 O THR A 62 2.196 -2.131 16.380 1.00 44.32 O ATOM 869 CB THR A 62 3.528 0.644 14.835 1.00 72.32 C ATOM 870 OG1 THR A 62 2.730 1.823 15.018 1.00 24.22 O ATOM 871 CG2 THR A 62 4.486 0.853 13.665 1.00 33.53 C ATOM 0 H THR A 62 1.759 0.656 13.113 1.00 75.01 H new ATOM 0 HA THR A 62 3.169 -1.409 14.199 1.00 2.33 H new ATOM 0 HB THR A 62 4.122 0.448 15.727 1.00 72.32 H new ATOM 0 HG1 THR A 62 3.227 2.607 14.704 1.00 24.22 H new ATOM 0 HG21 THR A 62 5.125 1.712 13.867 1.00 33.53 H new ATOM 0 HG22 THR A 62 5.103 -0.036 13.537 1.00 33.53 H new ATOM 0 HG23 THR A 62 3.914 1.032 12.754 1.00 33.53 H new ATOM 879 N SER A 63 1.206 -0.120 16.537 1.00 14.20 N ATOM 880 CA SER A 63 0.532 -0.427 17.800 1.00 41.31 C ATOM 881 C SER A 63 -0.955 -0.689 17.556 1.00 24.21 C ATOM 882 O SER A 63 -1.717 -0.928 18.495 1.00 63.03 O ATOM 883 CB SER A 63 0.722 0.736 18.788 1.00 72.23 C ATOM 884 OG SER A 63 0.140 0.454 20.053 1.00 31.04 O ATOM 0 H SER A 63 1.028 0.820 16.183 1.00 14.20 H new ATOM 0 HA SER A 63 0.972 -1.327 18.230 1.00 41.31 H new ATOM 0 HB2 SER A 63 1.786 0.936 18.914 1.00 72.23 H new ATOM 0 HB3 SER A 63 0.274 1.640 18.375 1.00 72.23 H new ATOM 0 HG SER A 63 -0.564 -0.220 19.946 1.00 31.04 H new ATOM 890 N ALA A 64 -1.347 -0.639 16.281 1.00 52.50 N ATOM 891 CA ALA A 64 -2.743 -0.797 15.854 1.00 30.32 C ATOM 892 C ALA A 64 -3.656 0.287 16.446 1.00 41.10 C ATOM 893 O ALA A 64 -4.875 0.233 16.291 1.00 44.22 O ATOM 894 CB ALA A 64 -3.259 -2.190 16.212 1.00 72.44 C ATOM 0 H ALA A 64 -0.700 -0.486 15.507 1.00 52.50 H new ATOM 0 HA ALA A 64 -2.765 -0.680 14.771 1.00 30.32 H new ATOM 0 HB1 ALA A 64 -4.295 -2.289 15.888 1.00 72.44 H new ATOM 0 HB2 ALA A 64 -2.649 -2.943 15.713 1.00 72.44 H new ATOM 0 HB3 ALA A 64 -3.201 -2.333 17.291 1.00 72.44 H new ATOM 900 N ALA A 65 -3.054 1.279 17.099 1.00 41.23 N ATOM 901 CA ALA A 65 -3.788 2.424 17.640 1.00 12.24 C ATOM 902 C ALA A 65 -3.274 3.723 17.019 1.00 71.02 C ATOM 903 O ALA A 65 -3.841 4.796 17.226 1.00 51.20 O ATOM 904 CB ALA A 65 -3.658 2.463 19.161 1.00 25.12 C ATOM 0 H ALA A 65 -2.049 1.313 17.268 1.00 41.23 H new ATOM 0 HA ALA A 65 -4.843 2.318 17.388 1.00 12.24 H new ATOM 0 HB1 ALA A 65 -4.208 3.319 19.551 1.00 25.12 H new ATOM 0 HB2 ALA A 65 -4.066 1.545 19.585 1.00 25.12 H new ATOM 0 HB3 ALA A 65 -2.607 2.552 19.434 1.00 25.12 H new ATOM 910 N CYS A 66 -2.190 3.604 16.257 1.00 31.21 N ATOM 911 CA CYS A 66 -1.518 4.753 15.663 1.00 5.34 C ATOM 912 C CYS A 66 -2.300 5.260 14.450 1.00 3.34 C ATOM 913 O CYS A 66 -2.870 4.466 13.705 1.00 51.21 O ATOM 914 CB CYS A 66 -0.101 4.344 15.248 1.00 52.11 C ATOM 915 SG CYS A 66 0.774 3.391 16.510 1.00 0.45 S ATOM 0 H CYS A 66 -1.754 2.709 16.035 1.00 31.21 H new ATOM 0 HA CYS A 66 -1.465 5.560 16.394 1.00 5.34 H new ATOM 0 HB2 CYS A 66 -0.155 3.755 14.332 1.00 52.11 H new ATOM 0 HB3 CYS A 66 0.474 5.241 15.017 1.00 52.11 H new ATOM 0 HG CYS A 66 1.772 2.762 15.964 1.00 0.45 H new ATOM 921 N PRO A 67 -2.316 6.584 14.213 1.00 55.54 N ATOM 922 CA PRO A 67 -3.061 7.178 13.097 1.00 43.02 C ATOM 923 C PRO A 67 -2.315 7.050 11.766 1.00 54.11 C ATOM 924 O PRO A 67 -2.519 7.843 10.848 1.00 33.44 O ATOM 925 CB PRO A 67 -3.183 8.646 13.520 1.00 0.52 C ATOM 926 CG PRO A 67 -1.947 8.909 14.315 1.00 22.31 C ATOM 927 CD PRO A 67 -1.608 7.613 15.011 1.00 62.42 C ATOM 0 HA PRO A 67 -4.018 6.687 12.922 1.00 43.02 H new ATOM 0 HB2 PRO A 67 -3.246 9.305 12.654 1.00 0.52 H new ATOM 0 HB3 PRO A 67 -4.081 8.815 14.115 1.00 0.52 H new ATOM 0 HG2 PRO A 67 -1.130 9.229 13.669 1.00 22.31 H new ATOM 0 HG3 PRO A 67 -2.112 9.707 15.038 1.00 22.31 H new ATOM 0 HD2 PRO A 67 -0.532 7.437 15.026 1.00 62.42 H new ATOM 0 HD3 PRO A 67 -1.945 7.616 16.048 1.00 62.42 H new ATOM 935 N LEU A 68 -1.487 6.010 11.652 1.00 53.43 N ATOM 936 CA LEU A 68 -0.615 5.830 10.493 1.00 71.13 C ATOM 937 C LEU A 68 -1.403 5.302 9.302 1.00 42.35 C ATOM 938 O LEU A 68 -0.874 5.192 8.194 1.00 53.11 O ATOM 939 CB LEU A 68 0.537 4.871 10.832 1.00 32.34 C ATOM 940 CG LEU A 68 1.479 5.343 11.954 1.00 22.41 C ATOM 941 CD1 LEU A 68 2.570 4.306 12.214 1.00 3.02 C ATOM 942 CD2 LEU A 68 2.094 6.700 11.614 1.00 42.31 C ATOM 0 H LEU A 68 -1.403 5.275 12.355 1.00 53.43 H new ATOM 0 HA LEU A 68 -0.197 6.801 10.228 1.00 71.13 H new ATOM 0 HB2 LEU A 68 0.114 3.908 11.117 1.00 32.34 H new ATOM 0 HB3 LEU A 68 1.127 4.706 9.931 1.00 32.34 H new ATOM 0 HG LEU A 68 0.891 5.457 12.865 1.00 22.41 H new ATOM 0 HD11 LEU A 68 3.225 4.659 13.010 1.00 3.02 H new ATOM 0 HD12 LEU A 68 2.112 3.363 12.512 1.00 3.02 H new ATOM 0 HD13 LEU A 68 3.153 4.155 11.305 1.00 3.02 H new ATOM 0 HD21 LEU A 68 2.756 7.012 12.422 1.00 42.31 H new ATOM 0 HD22 LEU A 68 2.664 6.619 10.689 1.00 42.31 H new ATOM 0 HD23 LEU A 68 1.301 7.438 11.489 1.00 42.31 H new ATOM 954 N THR A 69 -2.668 4.972 9.535 1.00 54.42 N ATOM 955 CA THR A 69 -3.536 4.509 8.466 1.00 62.12 C ATOM 956 C THR A 69 -3.616 5.572 7.369 1.00 41.53 C ATOM 957 O THR A 69 -3.639 5.258 6.184 1.00 10.10 O ATOM 958 CB THR A 69 -4.950 4.155 8.992 1.00 25.54 C ATOM 959 OG1 THR A 69 -5.718 3.517 7.963 1.00 71.24 O ATOM 960 CG2 THR A 69 -5.692 5.391 9.497 1.00 32.12 C ATOM 0 H THR A 69 -3.112 5.017 10.452 1.00 54.42 H new ATOM 0 HA THR A 69 -3.109 3.596 8.050 1.00 62.12 H new ATOM 0 HB THR A 69 -4.824 3.471 9.831 1.00 25.54 H new ATOM 0 HG1 THR A 69 -6.021 4.189 7.317 1.00 71.24 H new ATOM 0 HG21 THR A 69 -6.679 5.101 9.857 1.00 32.12 H new ATOM 0 HG22 THR A 69 -5.128 5.847 10.311 1.00 32.12 H new ATOM 0 HG23 THR A 69 -5.799 6.109 8.684 1.00 32.12 H new ATOM 968 N ASP A 70 -3.596 6.835 7.787 1.00 32.44 N ATOM 969 CA ASP A 70 -3.647 7.966 6.867 1.00 64.41 C ATOM 970 C ASP A 70 -2.441 7.969 5.926 1.00 35.14 C ATOM 971 O ASP A 70 -2.597 8.074 4.708 1.00 63.22 O ATOM 972 CB ASP A 70 -3.714 9.278 7.663 1.00 60.24 C ATOM 973 CG ASP A 70 -3.363 10.503 6.830 1.00 51.02 C ATOM 974 OD1 ASP A 70 -2.235 11.021 6.981 1.00 5.53 O ATOM 975 OD2 ASP A 70 -4.210 10.963 6.039 1.00 34.31 O ATOM 0 H ASP A 70 -3.544 7.102 8.770 1.00 32.44 H new ATOM 0 HA ASP A 70 -4.543 7.873 6.254 1.00 64.41 H new ATOM 0 HB2 ASP A 70 -4.718 9.398 8.069 1.00 60.24 H new ATOM 0 HB3 ASP A 70 -3.032 9.216 8.511 1.00 60.24 H new ATOM 980 N VAL A 71 -1.239 7.842 6.490 1.00 61.43 N ATOM 981 CA VAL A 71 -0.018 7.891 5.690 1.00 32.12 C ATOM 982 C VAL A 71 0.105 6.662 4.785 1.00 14.20 C ATOM 983 O VAL A 71 0.511 6.787 3.628 1.00 11.21 O ATOM 984 CB VAL A 71 1.264 8.051 6.562 1.00 0.03 C ATOM 985 CG1 VAL A 71 1.493 6.838 7.463 1.00 60.51 C ATOM 986 CG2 VAL A 71 2.486 8.311 5.678 1.00 41.13 C ATOM 0 H VAL A 71 -1.087 7.706 7.489 1.00 61.43 H new ATOM 0 HA VAL A 71 -0.099 8.780 5.064 1.00 32.12 H new ATOM 0 HB VAL A 71 1.115 8.913 7.212 1.00 0.03 H new ATOM 0 HG11 VAL A 71 2.396 6.989 8.054 1.00 60.51 H new ATOM 0 HG12 VAL A 71 0.640 6.714 8.130 1.00 60.51 H new ATOM 0 HG13 VAL A 71 1.607 5.945 6.849 1.00 60.51 H new ATOM 0 HG21 VAL A 71 3.371 8.420 6.304 1.00 41.13 H new ATOM 0 HG22 VAL A 71 2.626 7.473 4.995 1.00 41.13 H new ATOM 0 HG23 VAL A 71 2.332 9.225 5.105 1.00 41.13 H new ATOM 996 N ILE A 72 -0.265 5.477 5.291 1.00 52.30 N ATOM 997 CA ILE A 72 -0.185 4.263 4.473 1.00 62.11 C ATOM 998 C ILE A 72 -1.189 4.331 3.321 1.00 33.31 C ATOM 999 O ILE A 72 -0.875 3.956 2.185 1.00 43.42 O ATOM 1000 CB ILE A 72 -0.380 2.959 5.285 1.00 14.24 C ATOM 1001 CG1 ILE A 72 -1.796 2.858 5.853 1.00 63.22 C ATOM 1002 CG2 ILE A 72 0.662 2.865 6.401 1.00 14.30 C ATOM 1003 CD1 ILE A 72 -2.049 1.554 6.563 1.00 51.34 C ATOM 0 H ILE A 72 -0.614 5.336 6.239 1.00 52.30 H new ATOM 0 HA ILE A 72 0.829 4.226 4.074 1.00 62.11 H new ATOM 0 HB ILE A 72 -0.240 2.118 4.606 1.00 14.24 H new ATOM 0 HG12 ILE A 72 -1.964 3.682 6.546 1.00 63.22 H new ATOM 0 HG13 ILE A 72 -2.516 2.971 5.043 1.00 63.22 H new ATOM 0 HG21 ILE A 72 0.512 1.943 6.963 1.00 14.30 H new ATOM 0 HG22 ILE A 72 1.662 2.866 5.966 1.00 14.30 H new ATOM 0 HG23 ILE A 72 0.556 3.719 7.070 1.00 14.30 H new ATOM 0 HD11 ILE A 72 -3.070 1.540 6.945 1.00 51.34 H new ATOM 0 HD12 ILE A 72 -1.911 0.727 5.866 1.00 51.34 H new ATOM 0 HD13 ILE A 72 -1.350 1.450 7.393 1.00 51.34 H new ATOM 1015 N GLU A 73 -2.390 4.839 3.609 1.00 24.44 N ATOM 1016 CA GLU A 73 -3.401 5.053 2.579 1.00 13.12 C ATOM 1017 C GLU A 73 -2.887 6.034 1.534 1.00 34.31 C ATOM 1018 O GLU A 73 -2.982 5.784 0.336 1.00 3.54 O ATOM 1019 CB GLU A 73 -4.708 5.582 3.187 1.00 24.02 C ATOM 1020 CG GLU A 73 -5.519 4.532 3.939 1.00 25.40 C ATOM 1021 CD GLU A 73 -6.761 5.117 4.598 1.00 13.04 C ATOM 1022 OE1 GLU A 73 -6.787 5.237 5.843 1.00 65.44 O ATOM 1023 OE2 GLU A 73 -7.715 5.469 3.864 1.00 63.40 O ATOM 0 H GLU A 73 -2.683 5.109 4.548 1.00 24.44 H new ATOM 0 HA GLU A 73 -3.605 4.093 2.105 1.00 13.12 H new ATOM 0 HB2 GLU A 73 -4.473 6.400 3.868 1.00 24.02 H new ATOM 0 HB3 GLU A 73 -5.324 5.998 2.390 1.00 24.02 H new ATOM 0 HG2 GLU A 73 -5.816 3.743 3.248 1.00 25.40 H new ATOM 0 HG3 GLU A 73 -4.891 4.069 4.701 1.00 25.40 H new ATOM 1030 N ASP A 74 -2.317 7.137 2.003 1.00 65.13 N ATOM 1031 CA ASP A 74 -1.827 8.190 1.120 1.00 32.54 C ATOM 1032 C ASP A 74 -0.789 7.639 0.140 1.00 25.14 C ATOM 1033 O ASP A 74 -0.936 7.782 -1.081 1.00 21.02 O ATOM 1034 CB ASP A 74 -1.214 9.321 1.960 1.00 23.41 C ATOM 1035 CG ASP A 74 -0.831 10.538 1.133 1.00 55.22 C ATOM 1036 OD1 ASP A 74 0.223 10.508 0.462 1.00 70.43 O ATOM 1037 OD2 ASP A 74 -1.578 11.543 1.164 1.00 44.45 O ATOM 0 H ASP A 74 -2.182 7.327 2.996 1.00 65.13 H new ATOM 0 HA ASP A 74 -2.665 8.581 0.542 1.00 32.54 H new ATOM 0 HB2 ASP A 74 -1.926 9.621 2.729 1.00 23.41 H new ATOM 0 HB3 ASP A 74 -0.329 8.945 2.474 1.00 23.41 H new ATOM 1042 N GLN A 75 0.221 6.952 0.678 1.00 41.33 N ATOM 1043 CA GLN A 75 1.313 6.428 -0.140 1.00 1.14 C ATOM 1044 C GLN A 75 0.805 5.365 -1.114 1.00 21.53 C ATOM 1045 O GLN A 75 1.154 5.383 -2.298 1.00 52.42 O ATOM 1046 CB GLN A 75 2.435 5.855 0.737 1.00 52.52 C ATOM 1047 CG GLN A 75 1.948 4.783 1.687 1.00 72.12 C ATOM 1048 CD GLN A 75 3.048 4.105 2.490 1.00 64.21 C ATOM 1049 OE1 GLN A 75 2.924 2.938 2.861 1.00 2.22 O ATOM 1050 NE2 GLN A 75 4.125 4.821 2.771 1.00 13.24 N ATOM 0 H GLN A 75 0.304 6.747 1.674 1.00 41.33 H new ATOM 0 HA GLN A 75 1.720 7.258 -0.717 1.00 1.14 H new ATOM 0 HB2 GLN A 75 3.214 5.440 0.097 1.00 52.52 H new ATOM 0 HB3 GLN A 75 2.890 6.663 1.310 1.00 52.52 H new ATOM 0 HG2 GLN A 75 1.231 5.226 2.378 1.00 72.12 H new ATOM 0 HG3 GLN A 75 1.413 4.025 1.116 1.00 72.12 H new ATOM 0 HE21 GLN A 75 4.195 5.786 2.448 1.00 13.24 H new ATOM 0 HE22 GLN A 75 4.885 4.408 3.311 1.00 13.24 H new ATOM 1059 N SER A 76 -0.030 4.449 -0.620 1.00 54.34 N ATOM 1060 CA SER A 76 -0.541 3.361 -1.443 1.00 24.14 C ATOM 1061 C SER A 76 -1.464 3.896 -2.542 1.00 44.44 C ATOM 1062 O SER A 76 -1.229 3.657 -3.727 1.00 63.13 O ATOM 1063 CB SER A 76 -1.272 2.338 -0.567 1.00 1.35 C ATOM 1064 OG SER A 76 -2.343 2.944 0.134 1.00 52.40 O ATOM 0 H SER A 76 -0.364 4.442 0.344 1.00 54.34 H new ATOM 0 HA SER A 76 0.301 2.866 -1.927 1.00 24.14 H new ATOM 0 HB2 SER A 76 -1.652 1.527 -1.188 1.00 1.35 H new ATOM 0 HB3 SER A 76 -0.573 1.895 0.142 1.00 1.35 H new ATOM 0 HG SER A 76 -2.014 3.311 0.981 1.00 52.40 H new ATOM 1070 N ARG A 77 -2.500 4.641 -2.143 1.00 72.42 N ATOM 1071 CA ARG A 77 -3.469 5.184 -3.096 1.00 21.02 C ATOM 1072 C ARG A 77 -2.760 6.003 -4.169 1.00 64.44 C ATOM 1073 O ARG A 77 -2.905 5.734 -5.370 1.00 23.54 O ATOM 1074 CB ARG A 77 -4.492 6.094 -2.383 1.00 51.41 C ATOM 1075 CG ARG A 77 -5.401 5.392 -1.372 1.00 41.22 C ATOM 1076 CD ARG A 77 -6.409 4.470 -2.043 1.00 45.12 C ATOM 1077 NE ARG A 77 -7.236 5.170 -3.030 1.00 12.35 N ATOM 1078 CZ ARG A 77 -8.331 4.654 -3.593 1.00 55.15 C ATOM 1079 NH1 ARG A 77 -8.803 3.476 -3.195 1.00 1.23 N ATOM 1080 NH2 ARG A 77 -8.973 5.333 -4.536 1.00 12.45 N ATOM 0 H ARG A 77 -2.687 4.880 -1.169 1.00 72.42 H new ATOM 0 HA ARG A 77 -3.987 4.341 -3.553 1.00 21.02 H new ATOM 0 HB2 ARG A 77 -3.950 6.888 -1.869 1.00 51.41 H new ATOM 0 HB3 ARG A 77 -5.117 6.571 -3.138 1.00 51.41 H new ATOM 0 HG2 ARG A 77 -4.790 4.815 -0.678 1.00 41.22 H new ATOM 0 HG3 ARG A 77 -5.932 6.140 -0.784 1.00 41.22 H new ATOM 0 HD2 ARG A 77 -5.880 3.652 -2.531 1.00 45.12 H new ATOM 0 HD3 ARG A 77 -7.052 4.026 -1.284 1.00 45.12 H new ATOM 0 HE ARG A 77 -6.957 6.112 -3.304 1.00 12.35 H new ATOM 0 HH11 ARG A 77 -8.328 2.960 -2.455 1.00 1.23 H new ATOM 0 HH12 ARG A 77 -9.640 3.089 -3.630 1.00 1.23 H new ATOM 0 HH21 ARG A 77 -8.629 6.248 -4.829 1.00 12.45 H new ATOM 0 HH22 ARG A 77 -9.810 4.940 -4.967 1.00 12.45 H new ATOM 1094 N SER A 78 -1.948 6.959 -3.720 1.00 54.30 N ATOM 1095 CA SER A 78 -1.335 7.939 -4.609 1.00 73.44 C ATOM 1096 C SER A 78 -0.446 7.265 -5.660 1.00 51.32 C ATOM 1097 O SER A 78 -0.494 7.616 -6.840 1.00 4.01 O ATOM 1098 CB SER A 78 -0.527 8.952 -3.785 1.00 15.22 C ATOM 1099 OG SER A 78 -0.207 10.109 -4.539 1.00 62.05 O ATOM 0 H SER A 78 -1.699 7.074 -2.737 1.00 54.30 H new ATOM 0 HA SER A 78 -2.129 8.462 -5.142 1.00 73.44 H new ATOM 0 HB2 SER A 78 -1.098 9.240 -2.902 1.00 15.22 H new ATOM 0 HB3 SER A 78 0.391 8.483 -3.432 1.00 15.22 H new ATOM 0 HG SER A 78 0.305 10.731 -3.982 1.00 62.05 H new ATOM 1105 N ALA A 79 0.351 6.286 -5.235 1.00 24.40 N ATOM 1106 CA ALA A 79 1.274 5.617 -6.148 1.00 14.33 C ATOM 1107 C ALA A 79 0.524 4.676 -7.090 1.00 60.21 C ATOM 1108 O ALA A 79 0.637 4.791 -8.312 1.00 63.33 O ATOM 1109 CB ALA A 79 2.338 4.855 -5.363 1.00 11.14 C ATOM 0 H ALA A 79 0.376 5.942 -4.275 1.00 24.40 H new ATOM 0 HA ALA A 79 1.767 6.378 -6.754 1.00 14.33 H new ATOM 0 HB1 ALA A 79 3.019 4.362 -6.057 1.00 11.14 H new ATOM 0 HB2 ALA A 79 2.898 5.551 -4.739 1.00 11.14 H new ATOM 0 HB3 ALA A 79 1.858 4.107 -4.732 1.00 11.14 H new ATOM 1115 N LEU A 80 -0.311 3.808 -6.517 1.00 2.12 N ATOM 1116 CA LEU A 80 -1.021 2.792 -7.295 1.00 3.51 C ATOM 1117 C LEU A 80 -1.871 3.431 -8.390 1.00 34.20 C ATOM 1118 O LEU A 80 -1.969 2.896 -9.501 1.00 45.35 O ATOM 1119 CB LEU A 80 -1.890 1.908 -6.380 1.00 22.41 C ATOM 1120 CG LEU A 80 -1.180 0.697 -5.738 1.00 71.44 C ATOM 1121 CD1 LEU A 80 -0.756 -0.308 -6.809 1.00 65.22 C ATOM 1122 CD2 LEU A 80 0.021 1.135 -4.899 1.00 23.13 C ATOM 0 H LEU A 80 -0.512 3.788 -5.517 1.00 2.12 H new ATOM 0 HA LEU A 80 -0.274 2.159 -7.774 1.00 3.51 H new ATOM 0 HB2 LEU A 80 -2.294 2.532 -5.583 1.00 22.41 H new ATOM 0 HB3 LEU A 80 -2.738 1.542 -6.960 1.00 22.41 H new ATOM 0 HG LEU A 80 -1.890 0.210 -5.069 1.00 71.44 H new ATOM 0 HD11 LEU A 80 -0.257 -1.154 -6.337 1.00 65.22 H new ATOM 0 HD12 LEU A 80 -1.636 -0.660 -7.347 1.00 65.22 H new ATOM 0 HD13 LEU A 80 -0.071 0.172 -7.508 1.00 65.22 H new ATOM 0 HD21 LEU A 80 0.498 0.258 -4.461 1.00 23.13 H new ATOM 0 HD22 LEU A 80 0.736 1.659 -5.533 1.00 23.13 H new ATOM 0 HD23 LEU A 80 -0.314 1.801 -4.104 1.00 23.13 H new ATOM 1134 N VAL A 81 -2.484 4.572 -8.082 1.00 73.42 N ATOM 1135 CA VAL A 81 -3.234 5.310 -9.092 1.00 63.01 C ATOM 1136 C VAL A 81 -2.291 6.088 -10.006 1.00 74.22 C ATOM 1137 O VAL A 81 -2.605 6.327 -11.174 1.00 1.43 O ATOM 1138 CB VAL A 81 -4.273 6.281 -8.483 1.00 32.33 C ATOM 1139 CG1 VAL A 81 -5.245 5.537 -7.568 1.00 14.42 C ATOM 1140 CG2 VAL A 81 -3.594 7.438 -7.749 1.00 32.14 C ATOM 0 H VAL A 81 -2.477 4.999 -7.156 1.00 73.42 H new ATOM 0 HA VAL A 81 -3.779 4.563 -9.669 1.00 63.01 H new ATOM 0 HB VAL A 81 -4.848 6.710 -9.304 1.00 32.33 H new ATOM 0 HG11 VAL A 81 -5.965 6.242 -7.152 1.00 14.42 H new ATOM 0 HG12 VAL A 81 -5.773 4.774 -8.141 1.00 14.42 H new ATOM 0 HG13 VAL A 81 -4.691 5.064 -6.757 1.00 14.42 H new ATOM 0 HG21 VAL A 81 -4.353 8.101 -7.334 1.00 32.14 H new ATOM 0 HG22 VAL A 81 -2.975 7.044 -6.943 1.00 32.14 H new ATOM 0 HG23 VAL A 81 -2.969 7.995 -8.447 1.00 32.14 H new ATOM 1150 N GLY A 82 -1.129 6.465 -9.475 1.00 53.12 N ATOM 1151 CA GLY A 82 -0.219 7.327 -10.205 1.00 31.25 C ATOM 1152 C GLY A 82 0.306 6.667 -11.459 1.00 61.33 C ATOM 1153 O GLY A 82 0.378 7.288 -12.522 1.00 5.14 O ATOM 0 H GLY A 82 -0.803 6.187 -8.549 1.00 53.12 H new ATOM 0 HA2 GLY A 82 -0.731 8.252 -10.470 1.00 31.25 H new ATOM 0 HA3 GLY A 82 0.618 7.598 -9.561 1.00 31.25 H new ATOM 1157 N SER A 83 0.657 5.396 -11.337 1.00 60.05 N ATOM 1158 CA SER A 83 1.191 4.626 -12.456 1.00 73.11 C ATOM 1159 C SER A 83 0.080 3.856 -13.165 1.00 54.25 C ATOM 1160 O SER A 83 0.330 3.122 -14.126 1.00 44.30 O ATOM 1161 CB SER A 83 2.274 3.673 -11.951 1.00 5.22 C ATOM 1162 OG SER A 83 1.866 3.013 -10.765 1.00 34.44 O ATOM 0 H SER A 83 0.581 4.870 -10.467 1.00 60.05 H new ATOM 0 HA SER A 83 1.631 5.312 -13.179 1.00 73.11 H new ATOM 0 HB2 SER A 83 2.500 2.935 -12.721 1.00 5.22 H new ATOM 0 HB3 SER A 83 3.192 4.229 -11.763 1.00 5.22 H new ATOM 0 HG SER A 83 2.622 2.512 -10.393 1.00 34.44 H new ATOM 1168 N GLY A 84 -1.146 4.032 -12.682 1.00 1.22 N ATOM 1169 CA GLY A 84 -2.296 3.379 -13.277 1.00 42.21 C ATOM 1170 C GLY A 84 -2.194 1.867 -13.234 1.00 44.12 C ATOM 1171 O GLY A 84 -2.625 1.185 -14.167 1.00 61.43 O ATOM 0 H GLY A 84 -1.364 4.623 -11.879 1.00 1.22 H new ATOM 0 HA2 GLY A 84 -3.199 3.694 -12.754 1.00 42.21 H new ATOM 0 HA3 GLY A 84 -2.398 3.703 -14.313 1.00 42.21 H new ATOM 1175 N LEU A 85 -1.608 1.341 -12.159 1.00 53.12 N ATOM 1176 CA LEU A 85 -1.518 -0.106 -11.971 1.00 64.43 C ATOM 1177 C LEU A 85 -2.908 -0.671 -11.723 1.00 4.32 C ATOM 1178 O LEU A 85 -3.246 -1.766 -12.178 1.00 51.32 O ATOM 1179 CB LEU A 85 -0.586 -0.449 -10.799 1.00 1.40 C ATOM 1180 CG LEU A 85 0.880 -0.017 -10.975 1.00 30.24 C ATOM 1181 CD1 LEU A 85 1.707 -0.396 -9.748 1.00 34.32 C ATOM 1182 CD2 LEU A 85 1.478 -0.631 -12.240 1.00 4.14 C ATOM 0 H LEU A 85 -1.191 1.892 -11.409 1.00 53.12 H new ATOM 0 HA LEU A 85 -1.101 -0.553 -12.873 1.00 64.43 H new ATOM 0 HB2 LEU A 85 -0.979 0.018 -9.896 1.00 1.40 H new ATOM 0 HB3 LEU A 85 -0.613 -1.527 -10.639 1.00 1.40 H new ATOM 0 HG LEU A 85 0.903 1.068 -11.080 1.00 30.24 H new ATOM 0 HD11 LEU A 85 2.740 -0.081 -9.894 1.00 34.32 H new ATOM 0 HD12 LEU A 85 1.298 0.098 -8.867 1.00 34.32 H new ATOM 0 HD13 LEU A 85 1.674 -1.476 -9.606 1.00 34.32 H new ATOM 0 HD21 LEU A 85 2.515 -0.312 -12.344 1.00 4.14 H new ATOM 0 HD22 LEU A 85 1.438 -1.718 -12.171 1.00 4.14 H new ATOM 0 HD23 LEU A 85 0.908 -0.302 -13.109 1.00 4.14 H new ATOM 1194 N VAL A 86 -3.708 0.101 -10.996 1.00 12.40 N ATOM 1195 CA VAL A 86 -5.102 -0.227 -10.726 1.00 24.03 C ATOM 1196 C VAL A 86 -5.916 1.060 -10.680 1.00 2.33 C ATOM 1197 O VAL A 86 -5.374 2.130 -10.390 1.00 5.12 O ATOM 1198 CB VAL A 86 -5.279 -0.991 -9.385 1.00 41.01 C ATOM 1199 CG1 VAL A 86 -4.696 -2.402 -9.468 1.00 43.40 C ATOM 1200 CG2 VAL A 86 -4.646 -0.210 -8.233 1.00 14.44 C ATOM 0 H VAL A 86 -3.404 0.979 -10.574 1.00 12.40 H new ATOM 0 HA VAL A 86 -5.450 -0.880 -11.526 1.00 24.03 H new ATOM 0 HB VAL A 86 -6.348 -1.085 -9.192 1.00 41.01 H new ATOM 0 HG11 VAL A 86 -4.836 -2.910 -8.514 1.00 43.40 H new ATOM 0 HG12 VAL A 86 -5.204 -2.960 -10.254 1.00 43.40 H new ATOM 0 HG13 VAL A 86 -3.632 -2.343 -9.695 1.00 43.40 H new ATOM 0 HG21 VAL A 86 -4.780 -0.761 -7.302 1.00 14.44 H new ATOM 0 HG22 VAL A 86 -3.581 -0.077 -8.425 1.00 14.44 H new ATOM 0 HG23 VAL A 86 -5.124 0.766 -8.149 1.00 14.44 H new ATOM 1210 N ASP A 87 -7.206 0.962 -10.978 1.00 11.11 N ATOM 1211 CA ASP A 87 -8.093 2.124 -10.931 1.00 43.10 C ATOM 1212 C ASP A 87 -8.307 2.566 -9.490 1.00 44.21 C ATOM 1213 O ASP A 87 -8.248 3.755 -9.170 1.00 22.13 O ATOM 1214 CB ASP A 87 -9.442 1.802 -11.589 1.00 52.13 C ATOM 1215 CG ASP A 87 -10.456 2.929 -11.422 1.00 40.42 C ATOM 1216 OD1 ASP A 87 -10.308 3.978 -12.090 1.00 4.42 O ATOM 1217 OD2 ASP A 87 -11.406 2.771 -10.628 1.00 70.11 O ATOM 0 H ASP A 87 -7.663 0.093 -11.255 1.00 11.11 H new ATOM 0 HA ASP A 87 -7.623 2.937 -11.484 1.00 43.10 H new ATOM 0 HB2 ASP A 87 -9.288 1.610 -12.651 1.00 52.13 H new ATOM 0 HB3 ASP A 87 -9.845 0.887 -11.155 1.00 52.13 H new ATOM 1222 N ASP A 88 -8.543 1.593 -8.622 1.00 65.33 N ATOM 1223 CA ASP A 88 -8.787 1.852 -7.208 1.00 11.23 C ATOM 1224 C ASP A 88 -8.134 0.752 -6.374 1.00 20.43 C ATOM 1225 O ASP A 88 -7.891 -0.354 -6.878 1.00 72.43 O ATOM 1226 CB ASP A 88 -10.301 1.911 -6.939 1.00 14.11 C ATOM 1227 CG ASP A 88 -10.635 2.544 -5.597 1.00 34.13 C ATOM 1228 OD1 ASP A 88 -10.553 1.849 -4.568 1.00 73.14 O ATOM 1229 OD2 ASP A 88 -10.963 3.752 -5.564 1.00 73.23 O ATOM 0 H ASP A 88 -8.571 0.605 -8.875 1.00 65.33 H new ATOM 0 HA ASP A 88 -8.353 2.812 -6.930 1.00 11.23 H new ATOM 0 HB2 ASP A 88 -10.785 2.478 -7.734 1.00 14.11 H new ATOM 0 HB3 ASP A 88 -10.711 0.902 -6.972 1.00 14.11 H new ATOM 1234 N ILE A 89 -7.834 1.040 -5.110 1.00 21.53 N ATOM 1235 CA ILE A 89 -7.205 0.056 -4.236 1.00 12.24 C ATOM 1236 C ILE A 89 -8.029 -0.104 -2.966 1.00 31.42 C ATOM 1237 O ILE A 89 -8.594 0.865 -2.451 1.00 54.10 O ATOM 1238 CB ILE A 89 -5.732 0.426 -3.864 1.00 72.32 C ATOM 1239 CG1 ILE A 89 -5.657 1.152 -2.509 1.00 23.03 C ATOM 1240 CG2 ILE A 89 -5.096 1.287 -4.956 1.00 11.13 C ATOM 1241 CD1 ILE A 89 -4.251 1.508 -2.078 1.00 52.34 C ATOM 0 H ILE A 89 -8.016 1.942 -4.671 1.00 21.53 H new ATOM 0 HA ILE A 89 -7.169 -0.884 -4.787 1.00 12.24 H new ATOM 0 HB ILE A 89 -5.174 -0.507 -3.780 1.00 72.32 H new ATOM 0 HG12 ILE A 89 -6.251 2.064 -2.564 1.00 23.03 H new ATOM 0 HG13 ILE A 89 -6.111 0.521 -1.745 1.00 23.03 H new ATOM 0 HG21 ILE A 89 -4.072 1.532 -4.676 1.00 11.13 H new ATOM 0 HG22 ILE A 89 -5.093 0.737 -5.897 1.00 11.13 H new ATOM 0 HG23 ILE A 89 -5.670 2.206 -5.075 1.00 11.13 H new ATOM 0 HD11 ILE A 89 -4.284 2.017 -1.114 1.00 52.34 H new ATOM 0 HD12 ILE A 89 -3.657 0.599 -1.989 1.00 52.34 H new ATOM 0 HD13 ILE A 89 -3.798 2.166 -2.820 1.00 52.34 H new ATOM 1253 N ARG A 90 -8.085 -1.324 -2.464 1.00 31.11 N ATOM 1254 CA ARG A 90 -8.827 -1.628 -1.256 1.00 1.45 C ATOM 1255 C ARG A 90 -7.906 -2.276 -0.228 1.00 64.22 C ATOM 1256 O ARG A 90 -7.484 -3.426 -0.378 1.00 11.32 O ATOM 1257 CB ARG A 90 -10.024 -2.526 -1.598 1.00 52.23 C ATOM 1258 CG ARG A 90 -10.833 -3.000 -0.390 1.00 21.33 C ATOM 1259 CD ARG A 90 -12.308 -3.184 -0.744 1.00 35.34 C ATOM 1260 NE ARG A 90 -12.497 -3.867 -2.032 1.00 34.34 N ATOM 1261 CZ ARG A 90 -13.486 -3.590 -2.889 1.00 54.52 C ATOM 1262 NH1 ARG A 90 -14.376 -2.642 -2.602 1.00 1.45 N ATOM 1263 NH2 ARG A 90 -13.581 -4.253 -4.038 1.00 10.12 N ATOM 0 H ARG A 90 -7.619 -2.129 -2.881 1.00 31.11 H new ATOM 0 HA ARG A 90 -9.213 -0.708 -0.817 1.00 1.45 H new ATOM 0 HB2 ARG A 90 -10.687 -1.983 -2.272 1.00 52.23 H new ATOM 0 HB3 ARG A 90 -9.662 -3.399 -2.141 1.00 52.23 H new ATOM 0 HG2 ARG A 90 -10.425 -3.942 -0.024 1.00 21.33 H new ATOM 0 HG3 ARG A 90 -10.739 -2.276 0.419 1.00 21.33 H new ATOM 0 HD2 ARG A 90 -12.798 -3.757 0.043 1.00 35.34 H new ATOM 0 HD3 ARG A 90 -12.794 -2.209 -0.779 1.00 35.34 H new ATOM 0 HE ARG A 90 -11.833 -4.597 -2.288 1.00 34.34 H new ATOM 0 HH11 ARG A 90 -14.305 -2.124 -1.726 1.00 1.45 H new ATOM 0 HH12 ARG A 90 -15.129 -2.434 -3.258 1.00 1.45 H new ATOM 0 HH21 ARG A 90 -12.898 -4.975 -4.268 1.00 10.12 H new ATOM 0 HH22 ARG A 90 -14.336 -4.039 -4.689 1.00 10.12 H new ATOM 1277 N ILE A 91 -7.569 -1.503 0.795 1.00 23.02 N ATOM 1278 CA ILE A 91 -6.727 -1.975 1.881 1.00 33.23 C ATOM 1279 C ILE A 91 -7.599 -2.449 3.031 1.00 41.21 C ATOM 1280 O ILE A 91 -8.490 -1.726 3.470 1.00 71.13 O ATOM 1281 CB ILE A 91 -5.780 -0.861 2.399 1.00 55.23 C ATOM 1282 CG1 ILE A 91 -4.897 -0.326 1.263 1.00 31.13 C ATOM 1283 CG2 ILE A 91 -4.918 -1.378 3.556 1.00 70.32 C ATOM 1284 CD1 ILE A 91 -3.944 0.772 1.692 1.00 14.44 C ATOM 0 H ILE A 91 -7.872 -0.534 0.894 1.00 23.02 H new ATOM 0 HA ILE A 91 -6.119 -2.794 1.496 1.00 33.23 H new ATOM 0 HB ILE A 91 -6.393 -0.039 2.770 1.00 55.23 H new ATOM 0 HG12 ILE A 91 -4.321 -1.151 0.844 1.00 31.13 H new ATOM 0 HG13 ILE A 91 -5.537 0.052 0.466 1.00 31.13 H new ATOM 0 HG21 ILE A 91 -4.261 -0.581 3.905 1.00 70.32 H new ATOM 0 HG22 ILE A 91 -5.562 -1.701 4.374 1.00 70.32 H new ATOM 0 HG23 ILE A 91 -4.317 -2.220 3.214 1.00 70.32 H new ATOM 0 HD11 ILE A 91 -3.355 1.098 0.835 1.00 14.44 H new ATOM 0 HD12 ILE A 91 -4.513 1.616 2.083 1.00 14.44 H new ATOM 0 HD13 ILE A 91 -3.278 0.393 2.467 1.00 14.44 H new ATOM 1296 N ASN A 92 -7.354 -3.662 3.497 1.00 60.11 N ATOM 1297 CA ASN A 92 -8.035 -4.179 4.673 1.00 63.14 C ATOM 1298 C ASN A 92 -7.093 -4.098 5.870 1.00 20.30 C ATOM 1299 O ASN A 92 -6.058 -4.773 5.918 1.00 35.30 O ATOM 1300 CB ASN A 92 -8.546 -5.614 4.437 1.00 73.13 C ATOM 1301 CG ASN A 92 -7.453 -6.618 4.111 1.00 20.31 C ATOM 1302 OD1 ASN A 92 -7.096 -6.812 2.946 1.00 22.24 O ATOM 1303 ND2 ASN A 92 -6.934 -7.276 5.133 1.00 3.24 N ATOM 0 H ASN A 92 -6.686 -4.309 3.078 1.00 60.11 H new ATOM 0 HA ASN A 92 -8.915 -3.570 4.880 1.00 63.14 H new ATOM 0 HB2 ASN A 92 -9.078 -5.949 5.327 1.00 73.13 H new ATOM 0 HB3 ASN A 92 -9.268 -5.601 3.620 1.00 73.13 H new ATOM 0 HD21 ASN A 92 -6.209 -7.976 4.974 1.00 3.24 H new ATOM 0 HD22 ASN A 92 -7.259 -7.084 6.081 1.00 3.24 H new ATOM 1310 N TRP A 93 -7.423 -3.218 6.805 1.00 32.11 N ATOM 1311 CA TRP A 93 -6.591 -3.003 7.980 1.00 24.51 C ATOM 1312 C TRP A 93 -6.972 -3.999 9.068 1.00 40.02 C ATOM 1313 O TRP A 93 -8.017 -3.863 9.706 1.00 22.13 O ATOM 1314 CB TRP A 93 -6.758 -1.572 8.508 1.00 14.41 C ATOM 1315 CG TRP A 93 -6.554 -0.506 7.470 1.00 70.14 C ATOM 1316 CD1 TRP A 93 -5.384 0.121 7.152 1.00 13.03 C ATOM 1317 CD2 TRP A 93 -7.559 0.065 6.622 1.00 61.32 C ATOM 1318 NE1 TRP A 93 -5.601 1.042 6.157 1.00 40.41 N ATOM 1319 CE2 TRP A 93 -6.928 1.025 5.813 1.00 11.33 C ATOM 1320 CE3 TRP A 93 -8.931 -0.148 6.467 1.00 3.31 C ATOM 1321 CZ2 TRP A 93 -7.621 1.770 4.864 1.00 61.23 C ATOM 1322 CZ3 TRP A 93 -9.620 0.594 5.525 1.00 31.31 C ATOM 1323 CH2 TRP A 93 -8.963 1.542 4.733 1.00 32.03 C ATOM 0 H TRP A 93 -8.263 -2.640 6.772 1.00 32.11 H new ATOM 0 HA TRP A 93 -5.548 -3.150 7.699 1.00 24.51 H new ATOM 0 HB2 TRP A 93 -7.758 -1.466 8.930 1.00 14.41 H new ATOM 0 HB3 TRP A 93 -6.050 -1.412 9.321 1.00 14.41 H new ATOM 0 HD1 TRP A 93 -4.429 -0.078 7.615 1.00 13.03 H new ATOM 0 HE1 TRP A 93 -4.889 1.642 5.741 1.00 40.41 H new ATOM 0 HE3 TRP A 93 -9.445 -0.880 7.073 1.00 3.31 H new ATOM 0 HZ2 TRP A 93 -7.117 2.503 4.252 1.00 61.23 H new ATOM 0 HZ3 TRP A 93 -10.681 0.439 5.399 1.00 31.31 H new ATOM 0 HH2 TRP A 93 -9.527 2.105 4.004 1.00 32.03 H new ATOM 1334 N VAL A 94 -6.125 -4.992 9.284 1.00 33.14 N ATOM 1335 CA VAL A 94 -6.403 -6.015 10.277 1.00 32.42 C ATOM 1336 C VAL A 94 -5.797 -5.608 11.616 1.00 62.54 C ATOM 1337 O VAL A 94 -4.596 -5.353 11.713 1.00 50.21 O ATOM 1338 CB VAL A 94 -5.825 -7.387 9.847 1.00 24.21 C ATOM 1339 CG1 VAL A 94 -6.466 -8.523 10.643 1.00 44.00 C ATOM 1340 CG2 VAL A 94 -5.988 -7.600 8.337 1.00 24.44 C ATOM 0 H VAL A 94 -5.242 -5.111 8.787 1.00 33.14 H new ATOM 0 HA VAL A 94 -7.485 -6.111 10.370 1.00 32.42 H new ATOM 0 HB VAL A 94 -4.758 -7.391 10.068 1.00 24.21 H new ATOM 0 HG11 VAL A 94 -6.044 -9.475 10.323 1.00 44.00 H new ATOM 0 HG12 VAL A 94 -6.270 -8.378 11.705 1.00 44.00 H new ATOM 0 HG13 VAL A 94 -7.542 -8.527 10.470 1.00 44.00 H new ATOM 0 HG21 VAL A 94 -5.575 -8.570 8.060 1.00 24.44 H new ATOM 0 HG22 VAL A 94 -7.046 -7.569 8.077 1.00 24.44 H new ATOM 0 HG23 VAL A 94 -5.459 -6.813 7.799 1.00 24.44 H new ATOM 1350 N TRP A 95 -6.633 -5.547 12.643 1.00 14.33 N ATOM 1351 CA TRP A 95 -6.181 -5.217 13.991 1.00 31.04 C ATOM 1352 C TRP A 95 -6.524 -6.353 14.945 1.00 30.32 C ATOM 1353 O TRP A 95 -5.839 -6.568 15.940 1.00 33.14 O ATOM 1354 CB TRP A 95 -6.857 -3.929 14.489 1.00 65.44 C ATOM 1355 CG TRP A 95 -6.934 -2.838 13.464 1.00 74.13 C ATOM 1356 CD1 TRP A 95 -5.892 -2.150 12.915 1.00 20.34 C ATOM 1357 CD2 TRP A 95 -8.125 -2.309 12.872 1.00 35.12 C ATOM 1358 NE1 TRP A 95 -6.364 -1.224 12.015 1.00 22.23 N ATOM 1359 CE2 TRP A 95 -7.733 -1.301 11.974 1.00 71.33 C ATOM 1360 CE3 TRP A 95 -9.487 -2.591 13.016 1.00 4.44 C ATOM 1361 CZ2 TRP A 95 -8.653 -0.576 11.221 1.00 14.14 C ATOM 1362 CZ3 TRP A 95 -10.400 -1.870 12.269 1.00 11.30 C ATOM 1363 CH2 TRP A 95 -9.980 -0.871 11.383 1.00 50.25 C ATOM 0 H TRP A 95 -7.635 -5.723 12.569 1.00 14.33 H new ATOM 0 HA TRP A 95 -5.102 -5.068 13.961 1.00 31.04 H new ATOM 0 HB2 TRP A 95 -7.866 -4.168 14.825 1.00 65.44 H new ATOM 0 HB3 TRP A 95 -6.312 -3.558 15.357 1.00 65.44 H new ATOM 0 HD1 TRP A 95 -4.850 -2.309 13.152 1.00 20.34 H new ATOM 0 HE1 TRP A 95 -5.790 -0.584 11.467 1.00 22.23 H new ATOM 0 HE3 TRP A 95 -9.820 -3.359 13.699 1.00 4.44 H new ATOM 0 HZ2 TRP A 95 -8.331 0.192 10.533 1.00 14.14 H new ATOM 0 HZ3 TRP A 95 -11.454 -2.081 12.371 1.00 11.30 H new ATOM 0 HH2 TRP A 95 -10.717 -0.322 10.816 1.00 50.25 H new ATOM 1374 N ASN A 96 -7.579 -7.089 14.596 1.00 10.12 N ATOM 1375 CA ASN A 96 -8.205 -8.077 15.487 1.00 14.31 C ATOM 1376 C ASN A 96 -9.390 -8.764 14.786 1.00 22.24 C ATOM 1377 O ASN A 96 -9.497 -9.993 14.815 1.00 21.24 O ATOM 1378 CB ASN A 96 -8.686 -7.427 16.811 1.00 12.23 C ATOM 1379 CG ASN A 96 -7.642 -7.462 17.920 1.00 51.23 C ATOM 1380 OD1 ASN A 96 -6.862 -8.407 18.024 1.00 23.23 O ATOM 1381 ND2 ASN A 96 -7.622 -6.432 18.758 1.00 61.34 N ATOM 0 H ASN A 96 -8.029 -7.019 13.683 1.00 10.12 H new ATOM 0 HA ASN A 96 -7.448 -8.823 15.728 1.00 14.31 H new ATOM 0 HB2 ASN A 96 -8.964 -6.391 16.618 1.00 12.23 H new ATOM 0 HB3 ASN A 96 -9.585 -7.940 17.153 1.00 12.23 H new ATOM 0 HD21 ASN A 96 -6.944 -6.407 19.519 1.00 61.34 H new ATOM 0 HD22 ASN A 96 -8.285 -5.666 18.640 1.00 61.34 H new ATOM 1388 N PRO A 97 -10.314 -7.990 14.161 1.00 22.14 N ATOM 1389 CA PRO A 97 -11.473 -8.565 13.457 1.00 70.24 C ATOM 1390 C PRO A 97 -11.069 -9.331 12.194 1.00 54.22 C ATOM 1391 O PRO A 97 -10.029 -9.043 11.594 1.00 60.13 O ATOM 1392 CB PRO A 97 -12.335 -7.338 13.092 1.00 62.21 C ATOM 1393 CG PRO A 97 -11.797 -6.217 13.918 1.00 60.02 C ATOM 1394 CD PRO A 97 -10.338 -6.514 14.098 1.00 12.22 C ATOM 0 HA PRO A 97 -11.996 -9.293 14.077 1.00 70.24 H new ATOM 0 HB2 PRO A 97 -12.265 -7.111 12.028 1.00 62.21 H new ATOM 0 HB3 PRO A 97 -13.387 -7.518 13.311 1.00 62.21 H new ATOM 0 HG2 PRO A 97 -11.944 -5.258 13.421 1.00 60.02 H new ATOM 0 HG3 PRO A 97 -12.307 -6.159 14.880 1.00 60.02 H new ATOM 0 HD2 PRO A 97 -9.742 -6.134 13.268 1.00 12.22 H new ATOM 0 HD3 PRO A 97 -9.942 -6.063 15.008 1.00 12.22 H new ATOM 1402 N PRO A 98 -11.871 -10.338 11.794 1.00 64.41 N ATOM 1403 CA PRO A 98 -11.685 -11.041 10.522 1.00 72.34 C ATOM 1404 C PRO A 98 -12.007 -10.128 9.341 1.00 34.10 C ATOM 1405 O PRO A 98 -12.914 -9.295 9.430 1.00 21.51 O ATOM 1406 CB PRO A 98 -12.675 -12.221 10.596 1.00 22.33 C ATOM 1407 CG PRO A 98 -13.101 -12.292 12.027 1.00 74.22 C ATOM 1408 CD PRO A 98 -13.007 -10.887 12.552 1.00 62.45 C ATOM 0 HA PRO A 98 -10.656 -11.369 10.372 1.00 72.34 H new ATOM 0 HB2 PRO A 98 -13.530 -12.059 9.939 1.00 22.33 H new ATOM 0 HB3 PRO A 98 -12.202 -13.151 10.280 1.00 22.33 H new ATOM 0 HG2 PRO A 98 -14.118 -12.675 12.114 1.00 74.22 H new ATOM 0 HG3 PRO A 98 -12.458 -12.965 12.594 1.00 74.22 H new ATOM 0 HD2 PRO A 98 -13.924 -10.325 12.373 1.00 62.45 H new ATOM 0 HD3 PRO A 98 -12.825 -10.867 13.627 1.00 62.45 H new ATOM 1416 N TRP A 99 -11.274 -10.307 8.243 1.00 23.14 N ATOM 1417 CA TRP A 99 -11.369 -9.432 7.073 1.00 65.31 C ATOM 1418 C TRP A 99 -12.828 -9.218 6.652 1.00 13.21 C ATOM 1419 O TRP A 99 -13.482 -10.139 6.154 1.00 43.14 O ATOM 1420 CB TRP A 99 -10.575 -10.030 5.902 1.00 13.22 C ATOM 1421 CG TRP A 99 -9.227 -10.565 6.295 1.00 12.11 C ATOM 1422 CD1 TRP A 99 -8.085 -9.850 6.530 1.00 4.22 C ATOM 1423 CD2 TRP A 99 -8.883 -11.943 6.498 1.00 54.35 C ATOM 1424 NE1 TRP A 99 -7.060 -10.699 6.864 1.00 71.35 N ATOM 1425 CE2 TRP A 99 -7.521 -11.987 6.848 1.00 31.20 C ATOM 1426 CE3 TRP A 99 -9.595 -13.144 6.413 1.00 11.41 C ATOM 1427 CZ2 TRP A 99 -6.859 -13.181 7.115 1.00 3.20 C ATOM 1428 CZ3 TRP A 99 -8.936 -14.329 6.679 1.00 65.43 C ATOM 1429 CH2 TRP A 99 -7.579 -14.340 7.025 1.00 1.31 C ATOM 0 H TRP A 99 -10.597 -11.063 8.138 1.00 23.14 H new ATOM 0 HA TRP A 99 -10.947 -8.464 7.344 1.00 65.31 H new ATOM 0 HB2 TRP A 99 -11.158 -10.834 5.453 1.00 13.22 H new ATOM 0 HB3 TRP A 99 -10.443 -9.266 5.136 1.00 13.22 H new ATOM 0 HD1 TRP A 99 -8.002 -8.775 6.463 1.00 4.22 H new ATOM 0 HE1 TRP A 99 -6.106 -10.415 7.088 1.00 71.35 H new ATOM 0 HE3 TRP A 99 -10.641 -13.145 6.144 1.00 11.41 H new ATOM 0 HZ2 TRP A 99 -5.813 -13.192 7.384 1.00 3.20 H new ATOM 0 HZ3 TRP A 99 -9.476 -15.262 6.619 1.00 65.43 H new ATOM 0 HH2 TRP A 99 -7.091 -15.283 7.225 1.00 1.31 H new ATOM 1440 N GLY A 100 -13.332 -8.008 6.860 1.00 21.31 N ATOM 1441 CA GLY A 100 -14.706 -7.693 6.509 1.00 75.53 C ATOM 1442 C GLY A 100 -14.970 -6.196 6.501 1.00 52.02 C ATOM 1443 O GLY A 100 -14.830 -5.548 5.463 1.00 1.42 O ATOM 0 H GLY A 100 -12.810 -7.233 7.269 1.00 21.31 H new ATOM 0 HA2 GLY A 100 -14.931 -8.105 5.525 1.00 75.53 H new ATOM 0 HA3 GLY A 100 -15.379 -8.175 7.218 1.00 75.53 H new ATOM 1447 N PRO A 101 -15.342 -5.608 7.655 1.00 3.11 N ATOM 1448 CA PRO A 101 -15.612 -4.164 7.757 1.00 23.23 C ATOM 1449 C PRO A 101 -14.349 -3.343 7.489 1.00 21.12 C ATOM 1450 O PRO A 101 -14.406 -2.220 6.984 1.00 43.31 O ATOM 1451 CB PRO A 101 -16.090 -3.988 9.208 1.00 32.35 C ATOM 1452 CG PRO A 101 -15.525 -5.161 9.941 1.00 10.25 C ATOM 1453 CD PRO A 101 -15.515 -6.296 8.949 1.00 20.02 C ATOM 0 HA PRO A 101 -16.343 -3.819 7.025 1.00 23.23 H new ATOM 0 HB2 PRO A 101 -15.734 -3.049 9.631 1.00 32.35 H new ATOM 0 HB3 PRO A 101 -17.178 -3.972 9.267 1.00 32.35 H new ATOM 0 HG2 PRO A 101 -14.519 -4.949 10.303 1.00 10.25 H new ATOM 0 HG3 PRO A 101 -16.132 -5.408 10.812 1.00 10.25 H new ATOM 0 HD2 PRO A 101 -14.703 -6.996 9.145 1.00 20.02 H new ATOM 0 HD3 PRO A 101 -16.443 -6.867 8.981 1.00 20.02 H new ATOM 1461 N ASP A 102 -13.214 -3.949 7.803 1.00 42.11 N ATOM 1462 CA ASP A 102 -11.899 -3.340 7.601 1.00 63.13 C ATOM 1463 C ASP A 102 -11.579 -3.168 6.115 1.00 2.54 C ATOM 1464 O ASP A 102 -10.560 -2.580 5.761 1.00 60.25 O ATOM 1465 CB ASP A 102 -10.823 -4.202 8.281 1.00 74.25 C ATOM 1466 CG ASP A 102 -10.985 -5.685 7.971 1.00 43.22 C ATOM 1467 OD1 ASP A 102 -11.831 -6.335 8.625 1.00 23.42 O ATOM 1468 OD2 ASP A 102 -10.297 -6.200 7.067 1.00 21.15 O ATOM 0 H ASP A 102 -13.174 -4.884 8.208 1.00 42.11 H new ATOM 0 HA ASP A 102 -11.911 -2.347 8.050 1.00 63.13 H new ATOM 0 HB2 ASP A 102 -9.837 -3.871 7.955 1.00 74.25 H new ATOM 0 HB3 ASP A 102 -10.869 -4.052 9.360 1.00 74.25 H new ATOM 1473 N LYS A 103 -12.448 -3.685 5.249 1.00 13.33 N ATOM 1474 CA LYS A 103 -12.275 -3.535 3.804 1.00 2.10 C ATOM 1475 C LYS A 103 -12.962 -2.264 3.298 1.00 4.14 C ATOM 1476 O LYS A 103 -12.839 -1.911 2.122 1.00 75.40 O ATOM 1477 CB LYS A 103 -12.839 -4.756 3.063 1.00 42.31 C ATOM 1478 CG LYS A 103 -12.142 -6.070 3.406 1.00 23.23 C ATOM 1479 CD LYS A 103 -12.738 -7.238 2.621 1.00 12.02 C ATOM 1480 CE LYS A 103 -12.039 -8.553 2.937 1.00 23.20 C ATOM 1481 NZ LYS A 103 -12.649 -9.693 2.201 1.00 73.30 N ATOM 0 H LYS A 103 -13.278 -4.211 5.521 1.00 13.33 H new ATOM 0 HA LYS A 103 -11.206 -3.458 3.604 1.00 2.10 H new ATOM 0 HB2 LYS A 103 -13.900 -4.849 3.294 1.00 42.31 H new ATOM 0 HB3 LYS A 103 -12.760 -4.585 1.989 1.00 42.31 H new ATOM 0 HG2 LYS A 103 -11.078 -5.987 3.186 1.00 23.23 H new ATOM 0 HG3 LYS A 103 -12.233 -6.264 4.475 1.00 23.23 H new ATOM 0 HD2 LYS A 103 -13.799 -7.327 2.853 1.00 12.02 H new ATOM 0 HD3 LYS A 103 -12.661 -7.034 1.553 1.00 12.02 H new ATOM 0 HE2 LYS A 103 -10.983 -8.475 2.677 1.00 23.20 H new ATOM 0 HE3 LYS A 103 -12.090 -8.743 4.009 1.00 23.20 H new ATOM 0 HZ1 LYS A 103 -12.146 -10.571 2.442 1.00 73.30 H new ATOM 0 HZ2 LYS A 103 -13.650 -9.783 2.468 1.00 73.30 H new ATOM 0 HZ3 LYS A 103 -12.578 -9.523 1.177 1.00 73.30 H new