USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 841 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 23 TYR OH : rot 180:sc= 0.258 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -153:sc= 2.06 (180deg=-0.0551) USER MOD Set 2.1: A 14 CYS SG : rot 101:sc= 0.0649! USER MOD Set 2.2: A 51 GLN : amide:sc= -0.0812 K(o=-3.6,f=-6.9) USER MOD Set 2.3: A 53 CYS SG : rot -69:sc= -3.54! USER MOD Single : A 11 LYS NZ :NH3+ -172:sc=-0.00374 (180deg=-0.0941) USER MOD Single : A 21 THR OG1 : rot -24:sc= -0.745 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -152:sc= -1.12 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0319) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= -0.744 (180deg=-2.95!) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.921 (180deg=-3.23!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -2.16 (180deg=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0.25 (180deg=0.206) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0425) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.854 K(o=0.85,f=-0.33) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= 0.477 (180deg=0.295) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 0.47 (180deg=0.438) USER MOD Single : A 92 GLN : amide:sc= -1.01 K(o=-1,f=-0.19) USER MOD Single : A 93 SER OG : rot 80:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 95 THR OG1 : rot -179:sc= 0.807 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 3.924 -17.489 -6.152 1.00 53.50 N ATOM 60 CA GLU A 5 4.293 -16.425 -5.210 1.00 65.42 C ATOM 61 C GLU A 5 3.276 -15.285 -5.277 1.00 24.32 C ATOM 62 O GLU A 5 2.696 -15.011 -6.342 1.00 60.32 O ATOM 63 CB GLU A 5 5.732 -15.946 -5.543 1.00 31.12 C ATOM 64 CG GLU A 5 6.829 -16.968 -5.153 1.00 71.53 C ATOM 65 CD GLU A 5 8.177 -16.751 -5.844 1.00 11.14 C ATOM 66 OE1 GLU A 5 8.714 -15.626 -5.798 1.00 12.52 O ATOM 67 OE2 GLU A 5 8.694 -17.705 -6.473 1.00 64.24 O ATOM 0 HA GLU A 5 4.281 -16.800 -4.186 1.00 65.42 H new ATOM 0 HB2 GLU A 5 5.800 -15.742 -6.611 1.00 31.12 H new ATOM 0 HB3 GLU A 5 5.922 -15.006 -5.026 1.00 31.12 H new ATOM 0 HG2 GLU A 5 6.978 -16.927 -4.074 1.00 71.53 H new ATOM 0 HG3 GLU A 5 6.473 -17.971 -5.388 1.00 71.53 H new ATOM 74 N LEU A 6 3.046 -14.657 -4.114 1.00 65.50 N ATOM 75 CA LEU A 6 2.140 -13.523 -3.985 1.00 31.45 C ATOM 76 C LEU A 6 2.888 -12.268 -4.463 1.00 22.55 C ATOM 77 O LEU A 6 3.697 -11.684 -3.733 1.00 51.23 O ATOM 78 CB LEU A 6 1.625 -13.386 -2.518 1.00 15.23 C ATOM 79 CG LEU A 6 0.765 -14.592 -1.974 1.00 53.21 C ATOM 80 CD1 LEU A 6 1.621 -15.831 -1.629 1.00 61.42 C ATOM 81 CD2 LEU A 6 -0.099 -14.164 -0.778 1.00 1.23 C ATOM 0 H LEU A 6 3.489 -14.929 -3.236 1.00 65.50 H new ATOM 0 HA LEU A 6 1.252 -13.667 -4.601 1.00 31.45 H new ATOM 0 HB2 LEU A 6 2.486 -13.254 -1.862 1.00 15.23 H new ATOM 0 HB3 LEU A 6 1.027 -12.477 -2.447 1.00 15.23 H new ATOM 0 HG LEU A 6 0.102 -14.890 -2.786 1.00 53.21 H new ATOM 0 HD11 LEU A 6 0.975 -16.628 -1.260 1.00 61.42 H new ATOM 0 HD12 LEU A 6 2.144 -16.172 -2.522 1.00 61.42 H new ATOM 0 HD13 LEU A 6 2.348 -15.568 -0.861 1.00 61.42 H new ATOM 0 HD21 LEU A 6 -0.680 -15.016 -0.425 1.00 1.23 H new ATOM 0 HD22 LEU A 6 0.544 -13.806 0.026 1.00 1.23 H new ATOM 0 HD23 LEU A 6 -0.775 -13.366 -1.085 1.00 1.23 H new ATOM 93 N ARG A 7 2.612 -11.906 -5.725 1.00 14.14 N ATOM 94 CA ARG A 7 3.320 -10.844 -6.449 1.00 43.14 C ATOM 95 C ARG A 7 2.721 -9.481 -6.109 1.00 62.32 C ATOM 96 O ARG A 7 1.535 -9.245 -6.363 1.00 2.21 O ATOM 97 CB ARG A 7 3.243 -11.102 -7.982 1.00 44.14 C ATOM 98 CG ARG A 7 3.828 -12.463 -8.416 1.00 11.44 C ATOM 99 CD ARG A 7 3.634 -12.732 -9.919 1.00 74.23 C ATOM 100 NE ARG A 7 4.166 -14.040 -10.335 1.00 72.00 N ATOM 101 CZ ARG A 7 3.526 -15.219 -10.223 1.00 71.32 C ATOM 102 NH1 ARG A 7 2.296 -15.297 -9.721 1.00 33.52 N ATOM 103 NH2 ARG A 7 4.131 -16.316 -10.637 1.00 41.42 N ATOM 0 H ARG A 7 1.879 -12.351 -6.278 1.00 14.14 H new ATOM 0 HA ARG A 7 4.367 -10.847 -6.144 1.00 43.14 H new ATOM 0 HB2 ARG A 7 2.201 -11.048 -8.298 1.00 44.14 H new ATOM 0 HB3 ARG A 7 3.776 -10.306 -8.502 1.00 44.14 H new ATOM 0 HG2 ARG A 7 4.892 -12.491 -8.179 1.00 11.44 H new ATOM 0 HG3 ARG A 7 3.353 -13.259 -7.843 1.00 11.44 H new ATOM 0 HD2 ARG A 7 2.572 -12.684 -10.159 1.00 74.23 H new ATOM 0 HD3 ARG A 7 4.126 -11.946 -10.491 1.00 74.23 H new ATOM 0 HE ARG A 7 5.101 -14.054 -10.744 1.00 72.00 H new ATOM 0 HH11 ARG A 7 1.817 -14.451 -9.411 1.00 33.52 H new ATOM 0 HH12 ARG A 7 1.832 -16.202 -9.646 1.00 33.52 H new ATOM 0 HH21 ARG A 7 5.069 -16.262 -11.034 1.00 41.42 H new ATOM 0 HH22 ARG A 7 3.661 -17.218 -10.560 1.00 41.42 H new ATOM 117 N VAL A 8 3.536 -8.603 -5.502 1.00 64.53 N ATOM 118 CA VAL A 8 3.134 -7.218 -5.202 1.00 10.14 C ATOM 119 C VAL A 8 4.142 -6.247 -5.850 1.00 32.30 C ATOM 120 O VAL A 8 5.356 -6.504 -5.861 1.00 33.10 O ATOM 121 CB VAL A 8 2.986 -6.913 -3.637 1.00 42.03 C ATOM 122 CG1 VAL A 8 2.611 -8.179 -2.839 1.00 21.34 C ATOM 123 CG2 VAL A 8 4.219 -6.222 -3.006 1.00 51.30 C ATOM 0 H VAL A 8 4.486 -8.830 -5.207 1.00 64.53 H new ATOM 0 HA VAL A 8 2.139 -7.075 -5.624 1.00 10.14 H new ATOM 0 HB VAL A 8 2.167 -6.197 -3.571 1.00 42.03 H new ATOM 0 HG11 VAL A 8 2.520 -7.929 -1.782 1.00 21.34 H new ATOM 0 HG12 VAL A 8 1.661 -8.570 -3.202 1.00 21.34 H new ATOM 0 HG13 VAL A 8 3.387 -8.934 -2.968 1.00 21.34 H new ATOM 0 HG21 VAL A 8 4.037 -6.051 -1.945 1.00 51.30 H new ATOM 0 HG22 VAL A 8 5.095 -6.860 -3.126 1.00 51.30 H new ATOM 0 HG23 VAL A 8 4.395 -5.268 -3.502 1.00 51.30 H new ATOM 133 N GLU A 9 3.620 -5.186 -6.464 1.00 55.14 N ATOM 134 CA GLU A 9 4.388 -4.003 -6.856 1.00 50.52 C ATOM 135 C GLU A 9 3.813 -2.798 -6.121 1.00 61.12 C ATOM 136 O GLU A 9 2.741 -2.305 -6.498 1.00 54.22 O ATOM 137 CB GLU A 9 4.311 -3.784 -8.386 1.00 4.23 C ATOM 138 CG GLU A 9 4.963 -4.901 -9.212 1.00 11.10 C ATOM 139 CD GLU A 9 4.803 -4.700 -10.722 1.00 23.23 C ATOM 140 OE1 GLU A 9 5.406 -3.749 -11.267 1.00 14.30 O ATOM 141 OE2 GLU A 9 4.053 -5.475 -11.369 1.00 0.14 O ATOM 0 H GLU A 9 2.632 -5.123 -6.708 1.00 55.14 H new ATOM 0 HA GLU A 9 5.437 -4.140 -6.593 1.00 50.52 H new ATOM 0 HB2 GLU A 9 3.264 -3.695 -8.677 1.00 4.23 H new ATOM 0 HB3 GLU A 9 4.792 -2.837 -8.631 1.00 4.23 H new ATOM 0 HG2 GLU A 9 6.024 -4.953 -8.968 1.00 11.10 H new ATOM 0 HG3 GLU A 9 4.524 -5.858 -8.930 1.00 11.10 H new ATOM 148 N ILE A 10 4.484 -2.314 -5.076 1.00 35.12 N ATOM 149 CA ILE A 10 4.027 -1.119 -4.365 1.00 40.23 C ATOM 150 C ILE A 10 4.661 0.087 -5.052 1.00 65.15 C ATOM 151 O ILE A 10 5.857 0.315 -4.928 1.00 30.02 O ATOM 152 CB ILE A 10 4.436 -1.143 -2.850 1.00 35.34 C ATOM 153 CG1 ILE A 10 3.894 -2.421 -2.128 1.00 64.21 C ATOM 154 CG2 ILE A 10 3.985 0.153 -2.132 1.00 72.15 C ATOM 155 CD1 ILE A 10 2.382 -2.549 -2.096 1.00 20.54 C ATOM 0 H ILE A 10 5.340 -2.727 -4.705 1.00 35.12 H new ATOM 0 HA ILE A 10 2.938 -1.073 -4.397 1.00 40.23 H new ATOM 0 HB ILE A 10 5.524 -1.186 -2.801 1.00 35.34 H new ATOM 0 HG12 ILE A 10 4.307 -3.301 -2.621 1.00 64.21 H new ATOM 0 HG13 ILE A 10 4.265 -2.426 -1.103 1.00 64.21 H new ATOM 0 HG21 ILE A 10 4.281 0.110 -1.084 1.00 72.15 H new ATOM 0 HG22 ILE A 10 4.455 1.014 -2.607 1.00 72.15 H new ATOM 0 HG23 ILE A 10 2.901 0.248 -2.199 1.00 72.15 H new ATOM 0 HD11 ILE A 10 2.105 -3.466 -1.575 1.00 20.54 H new ATOM 0 HD12 ILE A 10 1.955 -1.692 -1.574 1.00 20.54 H new ATOM 0 HD13 ILE A 10 1.998 -2.581 -3.116 1.00 20.54 H new ATOM 167 N LYS A 11 3.850 0.871 -5.747 1.00 50.44 N ATOM 168 CA LYS A 11 4.323 1.955 -6.599 1.00 75.32 C ATOM 169 C LYS A 11 4.137 3.267 -5.839 1.00 62.22 C ATOM 170 O LYS A 11 3.017 3.649 -5.545 1.00 2.25 O ATOM 171 CB LYS A 11 3.518 1.937 -7.938 1.00 64.02 C ATOM 172 CG LYS A 11 4.164 2.651 -9.154 1.00 44.35 C ATOM 173 CD LYS A 11 4.426 4.156 -8.949 1.00 63.44 C ATOM 174 CE LYS A 11 4.867 4.865 -10.238 1.00 43.52 C ATOM 175 NZ LYS A 11 5.942 4.129 -10.966 1.00 54.51 N ATOM 0 H LYS A 11 2.835 0.772 -5.736 1.00 50.44 H new ATOM 0 HA LYS A 11 5.379 1.841 -6.846 1.00 75.32 H new ATOM 0 HB2 LYS A 11 3.337 0.897 -8.211 1.00 64.02 H new ATOM 0 HB3 LYS A 11 2.545 2.392 -7.755 1.00 64.02 H new ATOM 0 HG2 LYS A 11 5.108 2.160 -9.388 1.00 44.35 H new ATOM 0 HG3 LYS A 11 3.515 2.523 -10.021 1.00 44.35 H new ATOM 0 HD2 LYS A 11 3.520 4.630 -8.571 1.00 63.44 H new ATOM 0 HD3 LYS A 11 5.195 4.286 -8.187 1.00 63.44 H new ATOM 0 HE2 LYS A 11 4.005 4.983 -10.895 1.00 43.52 H new ATOM 0 HE3 LYS A 11 5.221 5.867 -9.993 1.00 43.52 H new ATOM 0 HZ1 LYS A 11 6.294 4.715 -11.750 1.00 54.51 H new ATOM 0 HZ2 LYS A 11 6.723 3.919 -10.312 1.00 54.51 H new ATOM 0 HZ3 LYS A 11 5.559 3.239 -11.344 1.00 54.51 H new ATOM 189 N ILE A 12 5.230 3.943 -5.495 1.00 33.03 N ATOM 190 CA ILE A 12 5.172 5.309 -4.969 1.00 32.04 C ATOM 191 C ILE A 12 5.389 6.248 -6.160 1.00 34.41 C ATOM 192 O ILE A 12 6.453 6.208 -6.797 1.00 43.30 O ATOM 193 CB ILE A 12 6.249 5.566 -3.847 1.00 43.40 C ATOM 194 CG1 ILE A 12 6.192 4.446 -2.750 1.00 41.20 C ATOM 195 CG2 ILE A 12 6.081 6.977 -3.228 1.00 44.01 C ATOM 196 CD1 ILE A 12 4.830 4.239 -2.113 1.00 15.03 C ATOM 0 H ILE A 12 6.175 3.566 -5.571 1.00 33.03 H new ATOM 0 HA ILE A 12 4.206 5.484 -4.495 1.00 32.04 H new ATOM 0 HB ILE A 12 7.236 5.526 -4.308 1.00 43.40 H new ATOM 0 HG12 ILE A 12 6.514 3.505 -3.196 1.00 41.20 H new ATOM 0 HG13 ILE A 12 6.909 4.689 -1.966 1.00 41.20 H new ATOM 0 HG21 ILE A 12 6.836 7.128 -2.457 1.00 44.01 H new ATOM 0 HG22 ILE A 12 6.200 7.732 -4.005 1.00 44.01 H new ATOM 0 HG23 ILE A 12 5.089 7.065 -2.786 1.00 44.01 H new ATOM 0 HD11 ILE A 12 4.893 3.445 -1.369 1.00 15.03 H new ATOM 0 HD12 ILE A 12 4.509 5.163 -1.632 1.00 15.03 H new ATOM 0 HD13 ILE A 12 4.108 3.960 -2.880 1.00 15.03 H new ATOM 208 N ASP A 13 4.359 7.035 -6.518 1.00 42.31 N ATOM 209 CA ASP A 13 4.416 7.901 -7.701 1.00 65.41 C ATOM 210 C ASP A 13 5.021 9.246 -7.280 1.00 74.41 C ATOM 211 O ASP A 13 4.340 10.115 -6.732 1.00 61.15 O ATOM 212 CB ASP A 13 3.001 8.059 -8.321 1.00 73.54 C ATOM 213 CG ASP A 13 3.006 8.905 -9.604 1.00 53.20 C ATOM 214 OD1 ASP A 13 3.627 8.473 -10.602 1.00 42.12 O ATOM 215 OD2 ASP A 13 2.425 10.011 -9.617 1.00 42.34 O ATOM 0 H ASP A 13 3.480 7.087 -6.003 1.00 42.31 H new ATOM 0 HA ASP A 13 5.046 7.461 -8.474 1.00 65.41 H new ATOM 0 HB2 ASP A 13 2.594 7.073 -8.543 1.00 73.54 H new ATOM 0 HB3 ASP A 13 2.338 8.520 -7.589 1.00 73.54 H new ATOM 220 N CYS A 14 6.330 9.373 -7.547 1.00 34.52 N ATOM 221 CA CYS A 14 7.190 10.465 -7.048 1.00 3.35 C ATOM 222 C CYS A 14 7.959 11.095 -8.224 1.00 72.32 C ATOM 223 O CYS A 14 9.003 11.741 -8.046 1.00 40.43 O ATOM 224 CB CYS A 14 8.160 9.869 -5.991 1.00 20.35 C ATOM 225 SG CYS A 14 9.213 11.077 -5.150 1.00 23.13 S ATOM 0 H CYS A 14 6.835 8.705 -8.129 1.00 34.52 H new ATOM 0 HA CYS A 14 6.594 11.251 -6.584 1.00 3.35 H new ATOM 0 HB2 CYS A 14 7.574 9.337 -5.242 1.00 20.35 H new ATOM 0 HB3 CYS A 14 8.797 9.132 -6.480 1.00 20.35 H new ATOM 0 HG CYS A 14 8.725 11.332 -3.972 1.00 23.13 H new ATOM 313 N THR A 21 10.083 4.329 -7.790 1.00 63.13 N ATOM 314 CA THR A 21 10.178 3.691 -6.475 1.00 54.10 C ATOM 315 C THR A 21 9.080 2.625 -6.342 1.00 64.35 C ATOM 316 O THR A 21 7.901 2.951 -6.194 1.00 15.44 O ATOM 317 CB THR A 21 10.075 4.770 -5.340 1.00 23.02 C ATOM 318 OG1 THR A 21 9.013 5.695 -5.639 1.00 25.33 O ATOM 319 CG2 THR A 21 11.391 5.553 -5.178 1.00 12.54 C ATOM 0 HA THR A 21 11.146 3.200 -6.374 1.00 54.10 H new ATOM 0 HB THR A 21 9.869 4.246 -4.407 1.00 23.02 H new ATOM 0 HG1 THR A 21 8.847 5.701 -6.605 1.00 25.33 H new ATOM 0 HG21 THR A 21 11.280 6.290 -4.383 1.00 12.54 H new ATOM 0 HG22 THR A 21 12.196 4.863 -4.923 1.00 12.54 H new ATOM 0 HG23 THR A 21 11.630 6.060 -6.113 1.00 12.54 H new ATOM 327 N THR A 22 9.485 1.346 -6.455 1.00 30.42 N ATOM 328 CA THR A 22 8.597 0.188 -6.286 1.00 12.14 C ATOM 329 C THR A 22 9.154 -0.729 -5.193 1.00 31.01 C ATOM 330 O THR A 22 10.361 -0.983 -5.150 1.00 35.11 O ATOM 331 CB THR A 22 8.412 -0.616 -7.620 1.00 32.42 C ATOM 332 OG1 THR A 22 9.696 -0.876 -8.212 1.00 30.31 O ATOM 333 CG2 THR A 22 7.502 0.130 -8.623 1.00 75.31 C ATOM 0 H THR A 22 10.449 1.089 -6.668 1.00 30.42 H new ATOM 0 HA THR A 22 7.615 0.561 -5.995 1.00 12.14 H new ATOM 0 HB THR A 22 7.923 -1.559 -7.377 1.00 32.42 H new ATOM 0 HG1 THR A 22 9.577 -1.380 -9.044 1.00 30.31 H new ATOM 0 HG21 THR A 22 7.401 -0.462 -9.533 1.00 75.31 H new ATOM 0 HG22 THR A 22 6.519 0.283 -8.178 1.00 75.31 H new ATOM 0 HG23 THR A 22 7.944 1.096 -8.866 1.00 75.31 H new ATOM 341 N TYR A 23 8.276 -1.179 -4.288 1.00 22.22 N ATOM 342 CA TYR A 23 8.625 -2.128 -3.229 1.00 53.32 C ATOM 343 C TYR A 23 8.030 -3.494 -3.578 1.00 62.30 C ATOM 344 O TYR A 23 6.823 -3.612 -3.802 1.00 42.32 O ATOM 345 CB TYR A 23 8.066 -1.631 -1.868 1.00 2.02 C ATOM 346 CG TYR A 23 8.707 -0.326 -1.365 1.00 22.25 C ATOM 347 CD1 TYR A 23 8.316 0.923 -1.869 1.00 52.11 C ATOM 348 CD2 TYR A 23 9.733 -0.350 -0.411 1.00 22.24 C ATOM 349 CE1 TYR A 23 8.924 2.089 -1.440 1.00 43.21 C ATOM 350 CE2 TYR A 23 10.330 0.814 0.023 1.00 60.43 C ATOM 351 CZ TYR A 23 9.932 2.024 -0.497 1.00 72.22 C ATOM 352 OH TYR A 23 10.559 3.179 -0.076 1.00 50.21 O ATOM 0 H TYR A 23 7.297 -0.892 -4.272 1.00 22.22 H new ATOM 0 HA TYR A 23 9.709 -2.211 -3.147 1.00 53.32 H new ATOM 0 HB2 TYR A 23 6.990 -1.482 -1.962 1.00 2.02 H new ATOM 0 HB3 TYR A 23 8.216 -2.409 -1.120 1.00 2.02 H new ATOM 0 HD1 TYR A 23 7.527 0.975 -2.604 1.00 52.11 H new ATOM 0 HD2 TYR A 23 10.062 -1.297 -0.009 1.00 22.24 H new ATOM 0 HE1 TYR A 23 8.613 3.043 -1.839 1.00 43.21 H new ATOM 0 HE2 TYR A 23 11.109 0.776 0.770 1.00 60.43 H new ATOM 0 HH TYR A 23 11.243 2.956 0.590 1.00 50.21 H new ATOM 362 N ASP A 24 8.881 -4.519 -3.618 1.00 13.21 N ATOM 363 CA ASP A 24 8.464 -5.902 -3.857 1.00 14.21 C ATOM 364 C ASP A 24 8.616 -6.682 -2.542 1.00 33.42 C ATOM 365 O ASP A 24 9.714 -6.812 -1.987 1.00 43.14 O ATOM 366 CB ASP A 24 9.281 -6.539 -5.019 1.00 11.31 C ATOM 367 CG ASP A 24 10.800 -6.567 -4.780 1.00 44.11 C ATOM 368 OD1 ASP A 24 11.448 -5.498 -4.840 1.00 42.54 O ATOM 369 OD2 ASP A 24 11.356 -7.654 -4.506 1.00 61.34 O ATOM 0 H ASP A 24 9.887 -4.413 -3.485 1.00 13.21 H new ATOM 0 HA ASP A 24 7.420 -5.934 -4.170 1.00 14.21 H new ATOM 0 HB2 ASP A 24 8.931 -7.559 -5.178 1.00 11.31 H new ATOM 0 HB3 ASP A 24 9.079 -5.986 -5.936 1.00 11.31 H new ATOM 374 N LEU A 25 7.483 -7.121 -2.011 1.00 22.25 N ATOM 375 CA LEU A 25 7.418 -7.922 -0.795 1.00 51.32 C ATOM 376 C LEU A 25 6.488 -9.091 -1.051 1.00 63.43 C ATOM 377 O LEU A 25 5.729 -9.101 -2.027 1.00 11.54 O ATOM 378 CB LEU A 25 6.959 -7.039 0.404 1.00 15.23 C ATOM 379 CG LEU A 25 5.530 -6.379 0.303 1.00 71.41 C ATOM 380 CD1 LEU A 25 4.410 -7.279 0.887 1.00 61.40 C ATOM 381 CD2 LEU A 25 5.504 -4.980 0.939 1.00 75.21 C ATOM 0 H LEU A 25 6.568 -6.928 -2.419 1.00 22.25 H new ATOM 0 HA LEU A 25 8.400 -8.314 -0.529 1.00 51.32 H new ATOM 0 HB2 LEU A 25 6.986 -7.651 1.305 1.00 15.23 H new ATOM 0 HB3 LEU A 25 7.691 -6.243 0.538 1.00 15.23 H new ATOM 0 HG LEU A 25 5.322 -6.269 -0.761 1.00 71.41 H new ATOM 0 HD11 LEU A 25 3.449 -6.773 0.790 1.00 61.40 H new ATOM 0 HD12 LEU A 25 4.380 -8.222 0.342 1.00 61.40 H new ATOM 0 HD13 LEU A 25 4.612 -7.475 1.940 1.00 61.40 H new ATOM 0 HD21 LEU A 25 4.503 -4.558 0.850 1.00 75.21 H new ATOM 0 HD22 LEU A 25 5.774 -5.054 1.992 1.00 75.21 H new ATOM 0 HD23 LEU A 25 6.217 -4.334 0.427 1.00 75.21 H new ATOM 393 N TYR A 26 6.558 -10.086 -0.181 1.00 14.52 N ATOM 394 CA TYR A 26 5.801 -11.318 -0.330 1.00 75.31 C ATOM 395 C TYR A 26 5.004 -11.571 0.933 1.00 72.40 C ATOM 396 O TYR A 26 5.578 -11.826 2.003 1.00 45.20 O ATOM 397 CB TYR A 26 6.759 -12.487 -0.647 1.00 54.45 C ATOM 398 CG TYR A 26 7.424 -12.356 -2.026 1.00 42.02 C ATOM 399 CD1 TYR A 26 8.615 -11.634 -2.194 1.00 12.44 C ATOM 400 CD2 TYR A 26 6.841 -12.915 -3.164 1.00 5.41 C ATOM 401 CE1 TYR A 26 9.192 -11.482 -3.439 1.00 50.21 C ATOM 402 CE2 TYR A 26 7.417 -12.758 -4.407 1.00 31.35 C ATOM 403 CZ TYR A 26 8.591 -12.045 -4.538 1.00 11.24 C ATOM 404 OH TYR A 26 9.156 -11.884 -5.783 1.00 53.14 O ATOM 0 H TYR A 26 7.145 -10.061 0.653 1.00 14.52 H new ATOM 0 HA TYR A 26 5.102 -11.231 -1.161 1.00 75.31 H new ATOM 0 HB2 TYR A 26 7.532 -12.536 0.120 1.00 54.45 H new ATOM 0 HB3 TYR A 26 6.206 -13.426 -0.603 1.00 54.45 H new ATOM 0 HD1 TYR A 26 9.090 -11.188 -1.332 1.00 12.44 H new ATOM 0 HD2 TYR A 26 5.925 -13.479 -3.070 1.00 5.41 H new ATOM 0 HE1 TYR A 26 10.110 -10.924 -3.548 1.00 50.21 H new ATOM 0 HE2 TYR A 26 6.949 -13.193 -5.278 1.00 31.35 H new ATOM 0 HH TYR A 26 8.609 -12.345 -6.453 1.00 53.14 H new ATOM 414 N PHE A 27 3.677 -11.407 0.805 1.00 41.20 N ATOM 415 CA PHE A 27 2.714 -11.821 1.814 1.00 14.20 C ATOM 416 C PHE A 27 2.833 -13.345 1.970 1.00 1.04 C ATOM 417 O PHE A 27 2.305 -14.105 1.165 1.00 2.33 O ATOM 418 CB PHE A 27 1.274 -11.388 1.372 1.00 4.31 C ATOM 419 CG PHE A 27 0.126 -11.664 2.372 1.00 23.41 C ATOM 420 CD1 PHE A 27 -0.318 -12.964 2.638 1.00 20.20 C ATOM 421 CD2 PHE A 27 -0.509 -10.618 3.040 1.00 72.21 C ATOM 422 CE1 PHE A 27 -1.341 -13.207 3.532 1.00 3.40 C ATOM 423 CE2 PHE A 27 -1.536 -10.868 3.938 1.00 73.24 C ATOM 424 CZ PHE A 27 -1.943 -12.159 4.182 1.00 73.12 C ATOM 0 H PHE A 27 3.248 -10.978 -0.015 1.00 41.20 H new ATOM 0 HA PHE A 27 2.911 -11.347 2.775 1.00 14.20 H new ATOM 0 HB2 PHE A 27 1.291 -10.319 1.160 1.00 4.31 H new ATOM 0 HB3 PHE A 27 1.039 -11.895 0.436 1.00 4.31 H new ATOM 0 HD1 PHE A 27 0.150 -13.796 2.133 1.00 20.20 H new ATOM 0 HD2 PHE A 27 -0.197 -9.600 2.856 1.00 72.21 H new ATOM 0 HE1 PHE A 27 -1.667 -14.219 3.720 1.00 3.40 H new ATOM 0 HE2 PHE A 27 -2.018 -10.046 4.447 1.00 73.24 H new ATOM 0 HZ PHE A 27 -2.739 -12.348 4.887 1.00 73.12 H new ATOM 434 N SER A 28 3.626 -13.776 2.937 1.00 1.43 N ATOM 435 CA SER A 28 3.698 -15.184 3.304 1.00 63.12 C ATOM 436 C SER A 28 2.541 -15.481 4.264 1.00 44.13 C ATOM 437 O SER A 28 1.672 -16.307 3.965 1.00 73.33 O ATOM 438 CB SER A 28 5.079 -15.490 3.910 1.00 24.41 C ATOM 439 OG SER A 28 5.400 -14.583 4.943 1.00 51.33 O ATOM 0 H SER A 28 4.233 -13.168 3.486 1.00 1.43 H new ATOM 0 HA SER A 28 3.593 -15.833 2.435 1.00 63.12 H new ATOM 0 HB2 SER A 28 5.089 -16.507 4.301 1.00 24.41 H new ATOM 0 HB3 SER A 28 5.839 -15.440 3.131 1.00 24.41 H new ATOM 0 HG SER A 28 6.374 -14.489 5.005 1.00 51.33 H new ATOM 445 N LYS A 29 2.514 -14.749 5.396 1.00 53.22 N ATOM 446 CA LYS A 29 1.432 -14.820 6.405 1.00 25.42 C ATOM 447 C LYS A 29 1.011 -13.396 6.835 1.00 45.45 C ATOM 448 O LYS A 29 1.609 -12.405 6.394 1.00 72.51 O ATOM 449 CB LYS A 29 1.894 -15.650 7.643 1.00 21.02 C ATOM 450 CG LYS A 29 2.355 -17.102 7.337 1.00 45.02 C ATOM 451 CD LYS A 29 1.281 -17.974 6.638 1.00 43.35 C ATOM 452 CE LYS A 29 0.056 -18.263 7.518 1.00 2.44 C ATOM 453 NZ LYS A 29 0.399 -19.066 8.725 1.00 10.32 N ATOM 0 H LYS A 29 3.249 -14.085 5.640 1.00 53.22 H new ATOM 0 HA LYS A 29 0.571 -15.319 5.960 1.00 25.42 H new ATOM 0 HB2 LYS A 29 2.714 -15.121 8.128 1.00 21.02 H new ATOM 0 HB3 LYS A 29 1.073 -15.691 8.359 1.00 21.02 H new ATOM 0 HG2 LYS A 29 3.243 -17.064 6.706 1.00 45.02 H new ATOM 0 HG3 LYS A 29 2.647 -17.583 8.270 1.00 45.02 H new ATOM 0 HD2 LYS A 29 0.954 -17.472 5.728 1.00 43.35 H new ATOM 0 HD3 LYS A 29 1.732 -18.919 6.336 1.00 43.35 H new ATOM 0 HE2 LYS A 29 -0.395 -17.321 7.828 1.00 2.44 H new ATOM 0 HE3 LYS A 29 -0.692 -18.796 6.931 1.00 2.44 H new ATOM 0 HZ1 LYS A 29 -0.473 -19.321 9.232 1.00 10.32 H new ATOM 0 HZ2 LYS A 29 0.897 -19.932 8.436 1.00 10.32 H new ATOM 0 HZ3 LYS A 29 1.013 -18.507 9.351 1.00 10.32 H new ATOM 467 N ALA A 30 -0.009 -13.319 7.716 1.00 21.42 N ATOM 468 CA ALA A 30 -0.587 -12.048 8.199 1.00 74.13 C ATOM 469 C ALA A 30 0.360 -11.316 9.154 1.00 3.14 C ATOM 470 O ALA A 30 0.366 -10.084 9.212 1.00 71.53 O ATOM 471 CB ALA A 30 -1.936 -12.320 8.884 1.00 41.53 C ATOM 0 H ALA A 30 -0.457 -14.144 8.115 1.00 21.42 H new ATOM 0 HA ALA A 30 -0.740 -11.399 7.337 1.00 74.13 H new ATOM 0 HB1 ALA A 30 -2.360 -11.381 9.239 1.00 41.53 H new ATOM 0 HB2 ALA A 30 -2.620 -12.780 8.171 1.00 41.53 H new ATOM 0 HB3 ALA A 30 -1.786 -12.993 9.729 1.00 41.53 H new ATOM 477 N GLU A 31 1.159 -12.100 9.892 1.00 15.11 N ATOM 478 CA GLU A 31 2.162 -11.578 10.832 1.00 23.22 C ATOM 479 C GLU A 31 3.200 -10.760 10.049 1.00 43.24 C ATOM 480 O GLU A 31 3.478 -9.597 10.360 1.00 34.14 O ATOM 481 CB GLU A 31 2.879 -12.746 11.575 1.00 42.42 C ATOM 482 CG GLU A 31 2.000 -13.583 12.539 1.00 41.41 C ATOM 483 CD GLU A 31 0.779 -14.260 11.883 1.00 10.33 C ATOM 484 OE1 GLU A 31 0.969 -15.082 10.961 1.00 20.14 O ATOM 485 OE2 GLU A 31 -0.373 -13.946 12.259 1.00 34.42 O ATOM 0 H GLU A 31 1.128 -13.119 9.854 1.00 15.11 H new ATOM 0 HA GLU A 31 1.664 -10.950 11.571 1.00 23.22 H new ATOM 0 HB2 GLU A 31 3.305 -13.417 10.829 1.00 42.42 H new ATOM 0 HB3 GLU A 31 3.712 -12.331 12.143 1.00 42.42 H new ATOM 0 HG2 GLU A 31 2.621 -14.353 12.998 1.00 41.41 H new ATOM 0 HG3 GLU A 31 1.650 -12.935 13.343 1.00 41.41 H new ATOM 492 N GLU A 32 3.703 -11.402 8.986 1.00 42.21 N ATOM 493 CA GLU A 32 4.700 -10.834 8.075 1.00 20.14 C ATOM 494 C GLU A 32 4.115 -9.622 7.338 1.00 74.02 C ATOM 495 O GLU A 32 4.787 -8.616 7.167 1.00 0.44 O ATOM 496 CB GLU A 32 5.163 -11.930 7.078 1.00 74.12 C ATOM 497 CG GLU A 32 5.573 -13.254 7.762 1.00 41.33 C ATOM 498 CD GLU A 32 6.690 -13.096 8.811 1.00 33.34 C ATOM 499 OE1 GLU A 32 7.876 -13.066 8.426 1.00 23.45 O ATOM 500 OE2 GLU A 32 6.387 -13.028 10.024 1.00 51.21 O ATOM 0 H GLU A 32 3.421 -12.349 8.732 1.00 42.21 H new ATOM 0 HA GLU A 32 5.565 -10.490 8.642 1.00 20.14 H new ATOM 0 HB2 GLU A 32 4.358 -12.130 6.371 1.00 74.12 H new ATOM 0 HB3 GLU A 32 6.007 -11.552 6.501 1.00 74.12 H new ATOM 0 HG2 GLU A 32 4.697 -13.690 8.242 1.00 41.33 H new ATOM 0 HG3 GLU A 32 5.902 -13.959 6.999 1.00 41.33 H new ATOM 507 N ALA A 33 2.822 -9.737 6.961 1.00 74.05 N ATOM 508 CA ALA A 33 2.080 -8.671 6.277 1.00 54.11 C ATOM 509 C ALA A 33 2.095 -7.370 7.087 1.00 21.42 C ATOM 510 O ALA A 33 2.400 -6.324 6.543 1.00 72.34 O ATOM 511 CB ALA A 33 0.644 -9.117 6.011 1.00 44.02 C ATOM 0 H ALA A 33 2.268 -10.577 7.126 1.00 74.05 H new ATOM 0 HA ALA A 33 2.573 -8.474 5.325 1.00 54.11 H new ATOM 0 HB1 ALA A 33 0.103 -8.318 5.503 1.00 44.02 H new ATOM 0 HB2 ALA A 33 0.650 -10.008 5.383 1.00 44.02 H new ATOM 0 HB3 ALA A 33 0.152 -9.344 6.957 1.00 44.02 H new ATOM 517 N LYS A 34 1.819 -7.477 8.404 1.00 32.40 N ATOM 518 CA LYS A 34 1.762 -6.315 9.314 1.00 43.24 C ATOM 519 C LYS A 34 3.143 -5.650 9.501 1.00 41.45 C ATOM 520 O LYS A 34 3.228 -4.451 9.754 1.00 73.55 O ATOM 521 CB LYS A 34 1.171 -6.720 10.682 1.00 54.13 C ATOM 522 CG LYS A 34 -0.303 -7.175 10.628 1.00 4.21 C ATOM 523 CD LYS A 34 -0.881 -7.482 12.031 1.00 33.44 C ATOM 524 CE LYS A 34 -0.873 -6.248 12.958 1.00 64.14 C ATOM 525 NZ LYS A 34 -1.434 -6.544 14.305 1.00 52.13 N ATOM 0 H LYS A 34 1.630 -8.368 8.864 1.00 32.40 H new ATOM 0 HA LYS A 34 1.107 -5.579 8.849 1.00 43.24 H new ATOM 0 HB2 LYS A 34 1.773 -7.527 11.100 1.00 54.13 H new ATOM 0 HB3 LYS A 34 1.253 -5.874 11.365 1.00 54.13 H new ATOM 0 HG2 LYS A 34 -0.902 -6.398 10.154 1.00 4.21 H new ATOM 0 HG3 LYS A 34 -0.383 -8.065 10.003 1.00 4.21 H new ATOM 0 HD2 LYS A 34 -1.903 -7.847 11.927 1.00 33.44 H new ATOM 0 HD3 LYS A 34 -0.302 -8.282 12.492 1.00 33.44 H new ATOM 0 HE2 LYS A 34 0.149 -5.885 13.065 1.00 64.14 H new ATOM 0 HE3 LYS A 34 -1.449 -5.447 12.496 1.00 64.14 H new ATOM 0 HZ1 LYS A 34 -1.406 -5.684 14.889 1.00 52.13 H new ATOM 0 HZ2 LYS A 34 -2.418 -6.865 14.208 1.00 52.13 H new ATOM 0 HZ3 LYS A 34 -0.870 -7.290 14.760 1.00 52.13 H new ATOM 539 N GLU A 35 4.206 -6.450 9.385 1.00 25.33 N ATOM 540 CA GLU A 35 5.588 -5.963 9.476 1.00 63.42 C ATOM 541 C GLU A 35 5.923 -5.136 8.211 1.00 62.21 C ATOM 542 O GLU A 35 6.380 -3.990 8.307 1.00 14.14 O ATOM 543 CB GLU A 35 6.535 -7.185 9.652 1.00 13.11 C ATOM 544 CG GLU A 35 7.982 -6.871 10.112 1.00 74.34 C ATOM 545 CD GLU A 35 8.854 -6.121 9.088 1.00 41.41 C ATOM 546 OE1 GLU A 35 9.142 -6.685 8.019 1.00 11.43 O ATOM 547 OE2 GLU A 35 9.239 -4.966 9.345 1.00 11.34 O ATOM 0 H GLU A 35 4.134 -7.455 9.225 1.00 25.33 H new ATOM 0 HA GLU A 35 5.719 -5.308 10.337 1.00 63.42 H new ATOM 0 HB2 GLU A 35 6.086 -7.865 10.376 1.00 13.11 H new ATOM 0 HB3 GLU A 35 6.586 -7.718 8.703 1.00 13.11 H new ATOM 0 HG2 GLU A 35 7.934 -6.278 11.026 1.00 74.34 H new ATOM 0 HG3 GLU A 35 8.476 -7.809 10.366 1.00 74.34 H new ATOM 554 N LEU A 36 5.661 -5.736 7.035 1.00 52.11 N ATOM 555 CA LEU A 36 5.838 -5.082 5.721 1.00 51.35 C ATOM 556 C LEU A 36 4.899 -3.862 5.565 1.00 65.11 C ATOM 557 O LEU A 36 5.228 -2.911 4.862 1.00 43.41 O ATOM 558 CB LEU A 36 5.621 -6.101 4.563 1.00 15.45 C ATOM 559 CG LEU A 36 6.838 -7.031 4.191 1.00 40.14 C ATOM 560 CD1 LEU A 36 8.128 -6.214 3.933 1.00 65.40 C ATOM 561 CD2 LEU A 36 7.078 -8.166 5.217 1.00 44.02 C ATOM 0 H LEU A 36 5.318 -6.694 6.967 1.00 52.11 H new ATOM 0 HA LEU A 36 6.864 -4.717 5.668 1.00 51.35 H new ATOM 0 HB2 LEU A 36 4.776 -6.738 4.826 1.00 15.45 H new ATOM 0 HB3 LEU A 36 5.335 -5.544 3.671 1.00 15.45 H new ATOM 0 HG LEU A 36 6.563 -7.522 3.257 1.00 40.14 H new ATOM 0 HD11 LEU A 36 8.943 -6.892 3.680 1.00 65.40 H new ATOM 0 HD12 LEU A 36 7.961 -5.522 3.107 1.00 65.40 H new ATOM 0 HD13 LEU A 36 8.389 -5.652 4.830 1.00 65.40 H new ATOM 0 HD21 LEU A 36 7.930 -8.768 4.901 1.00 44.02 H new ATOM 0 HD22 LEU A 36 7.283 -7.734 6.196 1.00 44.02 H new ATOM 0 HD23 LEU A 36 6.190 -8.796 5.277 1.00 44.02 H new ATOM 573 N LEU A 37 3.734 -3.938 6.226 1.00 14.13 N ATOM 574 CA LEU A 37 2.724 -2.858 6.295 1.00 2.42 C ATOM 575 C LEU A 37 3.339 -1.577 6.867 1.00 2.32 C ATOM 576 O LEU A 37 3.139 -0.491 6.321 1.00 22.44 O ATOM 577 CB LEU A 37 1.550 -3.328 7.195 1.00 62.34 C ATOM 578 CG LEU A 37 0.456 -2.290 7.598 1.00 21.12 C ATOM 579 CD1 LEU A 37 -0.342 -1.809 6.378 1.00 2.21 C ATOM 580 CD2 LEU A 37 -0.474 -2.882 8.682 1.00 74.34 C ATOM 0 H LEU A 37 3.456 -4.772 6.743 1.00 14.13 H new ATOM 0 HA LEU A 37 2.361 -2.641 5.290 1.00 2.42 H new ATOM 0 HB2 LEU A 37 1.052 -4.153 6.686 1.00 62.34 H new ATOM 0 HB3 LEU A 37 1.977 -3.732 8.113 1.00 62.34 H new ATOM 0 HG LEU A 37 0.956 -1.416 8.016 1.00 21.12 H new ATOM 0 HD11 LEU A 37 -1.094 -1.088 6.697 1.00 2.21 H new ATOM 0 HD12 LEU A 37 0.334 -1.337 5.664 1.00 2.21 H new ATOM 0 HD13 LEU A 37 -0.833 -2.660 5.906 1.00 2.21 H new ATOM 0 HD21 LEU A 37 -1.232 -2.147 8.953 1.00 74.34 H new ATOM 0 HD22 LEU A 37 -0.960 -3.778 8.295 1.00 74.34 H new ATOM 0 HD23 LEU A 37 0.113 -3.140 9.564 1.00 74.34 H new ATOM 592 N LYS A 38 4.087 -1.741 7.981 1.00 63.32 N ATOM 593 CA LYS A 38 4.773 -0.638 8.670 1.00 73.42 C ATOM 594 C LYS A 38 5.827 -0.007 7.760 1.00 14.12 C ATOM 595 O LYS A 38 5.908 1.218 7.674 1.00 32.13 O ATOM 596 CB LYS A 38 5.430 -1.142 9.979 1.00 32.34 C ATOM 597 CG LYS A 38 4.423 -1.649 11.026 1.00 53.53 C ATOM 598 CD LYS A 38 5.120 -2.200 12.291 1.00 2.23 C ATOM 599 CE LYS A 38 4.121 -2.708 13.338 1.00 64.44 C ATOM 600 NZ LYS A 38 4.806 -3.270 14.532 1.00 41.53 N ATOM 0 H LYS A 38 4.229 -2.648 8.425 1.00 63.32 H new ATOM 0 HA LYS A 38 4.032 0.121 8.921 1.00 73.42 H new ATOM 0 HB2 LYS A 38 6.126 -1.946 9.739 1.00 32.34 H new ATOM 0 HB3 LYS A 38 6.016 -0.333 10.415 1.00 32.34 H new ATOM 0 HG2 LYS A 38 3.754 -0.836 11.307 1.00 53.53 H new ATOM 0 HG3 LYS A 38 3.805 -2.431 10.584 1.00 53.53 H new ATOM 0 HD2 LYS A 38 5.790 -3.012 12.008 1.00 2.23 H new ATOM 0 HD3 LYS A 38 5.737 -1.417 12.732 1.00 2.23 H new ATOM 0 HE2 LYS A 38 3.470 -1.890 13.645 1.00 64.44 H new ATOM 0 HE3 LYS A 38 3.484 -3.472 12.892 1.00 64.44 H new ATOM 0 HZ1 LYS A 38 4.096 -3.602 15.215 1.00 41.53 H new ATOM 0 HZ2 LYS A 38 5.408 -4.067 14.244 1.00 41.53 H new ATOM 0 HZ3 LYS A 38 5.394 -2.534 14.973 1.00 41.53 H new ATOM 614 N LYS A 39 6.604 -0.875 7.065 1.00 5.04 N ATOM 615 CA LYS A 39 7.646 -0.437 6.125 1.00 44.23 C ATOM 616 C LYS A 39 7.058 0.438 5.007 1.00 50.03 C ATOM 617 O LYS A 39 7.475 1.570 4.833 1.00 13.21 O ATOM 618 CB LYS A 39 8.392 -1.649 5.505 1.00 43.10 C ATOM 619 CG LYS A 39 9.304 -2.402 6.487 1.00 5.12 C ATOM 620 CD LYS A 39 10.092 -3.540 5.791 1.00 11.50 C ATOM 621 CE LYS A 39 11.136 -4.194 6.703 1.00 11.42 C ATOM 622 NZ LYS A 39 11.860 -5.311 6.033 1.00 71.44 N ATOM 0 H LYS A 39 6.521 -1.888 7.145 1.00 5.04 H new ATOM 0 HA LYS A 39 8.360 0.158 6.695 1.00 44.23 H new ATOM 0 HB2 LYS A 39 7.657 -2.346 5.103 1.00 43.10 H new ATOM 0 HB3 LYS A 39 8.992 -1.300 4.665 1.00 43.10 H new ATOM 0 HG2 LYS A 39 10.004 -1.701 6.941 1.00 5.12 H new ATOM 0 HG3 LYS A 39 8.702 -2.819 7.294 1.00 5.12 H new ATOM 0 HD2 LYS A 39 9.392 -4.301 5.447 1.00 11.50 H new ATOM 0 HD3 LYS A 39 10.589 -3.141 4.907 1.00 11.50 H new ATOM 0 HE2 LYS A 39 11.855 -3.441 7.025 1.00 11.42 H new ATOM 0 HE3 LYS A 39 10.645 -4.570 7.600 1.00 11.42 H new ATOM 0 HZ1 LYS A 39 12.554 -5.719 6.691 1.00 71.44 H new ATOM 0 HZ2 LYS A 39 11.180 -6.044 5.748 1.00 71.44 H new ATOM 0 HZ3 LYS A 39 12.352 -4.950 5.191 1.00 71.44 H new ATOM 636 N VAL A 40 6.035 -0.080 4.315 1.00 41.24 N ATOM 637 CA VAL A 40 5.407 0.618 3.183 1.00 43.41 C ATOM 638 C VAL A 40 4.771 1.947 3.639 1.00 3.33 C ATOM 639 O VAL A 40 4.886 2.962 2.950 1.00 53.21 O ATOM 640 CB VAL A 40 4.335 -0.287 2.481 1.00 32.44 C ATOM 641 CG1 VAL A 40 3.609 0.470 1.357 1.00 74.44 C ATOM 642 CG2 VAL A 40 4.979 -1.577 1.928 1.00 73.31 C ATOM 0 H VAL A 40 5.621 -0.989 4.521 1.00 41.24 H new ATOM 0 HA VAL A 40 6.191 0.840 2.459 1.00 43.41 H new ATOM 0 HB VAL A 40 3.597 -0.562 3.235 1.00 32.44 H new ATOM 0 HG11 VAL A 40 2.874 -0.187 0.892 1.00 74.44 H new ATOM 0 HG12 VAL A 40 3.105 1.343 1.773 1.00 74.44 H new ATOM 0 HG13 VAL A 40 4.333 0.791 0.608 1.00 74.44 H new ATOM 0 HG21 VAL A 40 4.215 -2.187 1.446 1.00 73.31 H new ATOM 0 HG22 VAL A 40 5.748 -1.317 1.200 1.00 73.31 H new ATOM 0 HG23 VAL A 40 5.429 -2.139 2.746 1.00 73.31 H new ATOM 652 N ALA A 41 4.151 1.919 4.829 1.00 74.43 N ATOM 653 CA ALA A 41 3.476 3.086 5.416 1.00 1.02 C ATOM 654 C ALA A 41 4.452 4.251 5.642 1.00 43.23 C ATOM 655 O ALA A 41 4.212 5.366 5.172 1.00 51.35 O ATOM 656 CB ALA A 41 2.811 2.691 6.734 1.00 74.00 C ATOM 0 H ALA A 41 4.104 1.084 5.413 1.00 74.43 H new ATOM 0 HA ALA A 41 2.716 3.425 4.712 1.00 1.02 H new ATOM 0 HB1 ALA A 41 2.312 3.559 7.165 1.00 74.00 H new ATOM 0 HB2 ALA A 41 2.078 1.906 6.551 1.00 74.00 H new ATOM 0 HB3 ALA A 41 3.568 2.326 7.428 1.00 74.00 H new ATOM 662 N GLU A 42 5.568 3.951 6.339 1.00 12.42 N ATOM 663 CA GLU A 42 6.551 4.963 6.761 1.00 64.23 C ATOM 664 C GLU A 42 7.392 5.454 5.569 1.00 71.04 C ATOM 665 O GLU A 42 7.669 6.645 5.469 1.00 72.11 O ATOM 666 CB GLU A 42 7.461 4.400 7.890 1.00 20.03 C ATOM 667 CG GLU A 42 8.384 3.235 7.463 1.00 74.11 C ATOM 668 CD GLU A 42 9.160 2.592 8.618 1.00 74.04 C ATOM 669 OE1 GLU A 42 10.286 3.037 8.926 1.00 43.25 O ATOM 670 OE2 GLU A 42 8.643 1.643 9.238 1.00 74.23 O ATOM 0 H GLU A 42 5.810 3.002 6.623 1.00 12.42 H new ATOM 0 HA GLU A 42 6.006 5.821 7.155 1.00 64.23 H new ATOM 0 HB2 GLU A 42 8.079 5.211 8.277 1.00 20.03 H new ATOM 0 HB3 GLU A 42 6.829 4.061 8.711 1.00 20.03 H new ATOM 0 HG2 GLU A 42 7.781 2.469 6.974 1.00 74.11 H new ATOM 0 HG3 GLU A 42 9.095 3.602 6.723 1.00 74.11 H new ATOM 677 N LYS A 43 7.761 4.529 4.655 1.00 52.33 N ATOM 678 CA LYS A 43 8.640 4.846 3.513 1.00 63.14 C ATOM 679 C LYS A 43 7.894 5.676 2.466 1.00 35.15 C ATOM 680 O LYS A 43 8.463 6.604 1.891 1.00 52.00 O ATOM 681 CB LYS A 43 9.225 3.567 2.868 1.00 73.13 C ATOM 682 CG LYS A 43 10.082 2.699 3.818 1.00 21.41 C ATOM 683 CD LYS A 43 11.265 3.455 4.462 1.00 43.50 C ATOM 684 CE LYS A 43 11.979 2.614 5.536 1.00 51.33 C ATOM 685 NZ LYS A 43 13.119 3.356 6.133 1.00 13.21 N ATOM 0 H LYS A 43 7.461 3.555 4.689 1.00 52.33 H new ATOM 0 HA LYS A 43 9.472 5.435 3.899 1.00 63.14 H new ATOM 0 HB2 LYS A 43 8.404 2.961 2.486 1.00 73.13 H new ATOM 0 HB3 LYS A 43 9.835 3.855 2.011 1.00 73.13 H new ATOM 0 HG2 LYS A 43 9.443 2.304 4.608 1.00 21.41 H new ATOM 0 HG3 LYS A 43 10.469 1.844 3.263 1.00 21.41 H new ATOM 0 HD2 LYS A 43 11.980 3.735 3.688 1.00 43.50 H new ATOM 0 HD3 LYS A 43 10.902 4.380 4.910 1.00 43.50 H new ATOM 0 HE2 LYS A 43 11.270 2.341 6.318 1.00 51.33 H new ATOM 0 HE3 LYS A 43 12.339 1.685 5.094 1.00 51.33 H new ATOM 0 HZ1 LYS A 43 13.580 2.764 6.853 1.00 13.21 H new ATOM 0 HZ2 LYS A 43 13.806 3.594 5.389 1.00 13.21 H new ATOM 0 HZ3 LYS A 43 12.771 4.230 6.575 1.00 13.21 H new ATOM 699 N ALA A 44 6.614 5.329 2.229 1.00 45.33 N ATOM 700 CA ALA A 44 5.726 6.120 1.363 1.00 14.04 C ATOM 701 C ALA A 44 5.556 7.514 1.950 1.00 34.43 C ATOM 702 O ALA A 44 5.731 8.513 1.247 1.00 64.32 O ATOM 703 CB ALA A 44 4.363 5.446 1.207 1.00 53.31 C ATOM 0 H ALA A 44 6.173 4.501 2.629 1.00 45.33 H new ATOM 0 HA ALA A 44 6.179 6.191 0.374 1.00 14.04 H new ATOM 0 HB1 ALA A 44 3.728 6.054 0.562 1.00 53.31 H new ATOM 0 HB2 ALA A 44 4.494 4.459 0.762 1.00 53.31 H new ATOM 0 HB3 ALA A 44 3.894 5.344 2.185 1.00 53.31 H new ATOM 709 N ALA A 45 5.277 7.547 3.271 1.00 63.01 N ATOM 710 CA ALA A 45 5.109 8.786 4.030 1.00 51.31 C ATOM 711 C ALA A 45 6.367 9.670 3.961 1.00 73.30 C ATOM 712 O ALA A 45 6.251 10.889 3.991 1.00 23.53 O ATOM 713 CB ALA A 45 4.756 8.486 5.490 1.00 53.15 C ATOM 0 H ALA A 45 5.163 6.705 3.836 1.00 63.01 H new ATOM 0 HA ALA A 45 4.286 9.336 3.573 1.00 51.31 H new ATOM 0 HB1 ALA A 45 4.636 9.422 6.035 1.00 53.15 H new ATOM 0 HB2 ALA A 45 3.825 7.921 5.530 1.00 53.15 H new ATOM 0 HB3 ALA A 45 5.556 7.901 5.945 1.00 53.15 H new ATOM 719 N ASP A 46 7.565 9.030 3.870 1.00 0.33 N ATOM 720 CA ASP A 46 8.853 9.739 3.706 1.00 70.21 C ATOM 721 C ASP A 46 8.886 10.534 2.392 1.00 54.45 C ATOM 722 O ASP A 46 9.305 11.688 2.393 1.00 2.21 O ATOM 723 CB ASP A 46 10.070 8.761 3.742 1.00 53.13 C ATOM 724 CG ASP A 46 10.420 8.231 5.146 1.00 63.21 C ATOM 725 OD1 ASP A 46 10.595 9.059 6.069 1.00 75.00 O ATOM 726 OD2 ASP A 46 10.587 7.000 5.324 1.00 22.22 O ATOM 0 H ASP A 46 7.659 8.015 3.909 1.00 0.33 H new ATOM 0 HA ASP A 46 8.935 10.426 4.549 1.00 70.21 H new ATOM 0 HB2 ASP A 46 9.859 7.914 3.089 1.00 53.13 H new ATOM 0 HB3 ASP A 46 10.942 9.270 3.331 1.00 53.13 H new ATOM 731 N LYS A 47 8.442 9.894 1.280 1.00 61.24 N ATOM 732 CA LYS A 47 8.384 10.536 -0.056 1.00 45.45 C ATOM 733 C LYS A 47 7.410 11.731 -0.047 1.00 43.45 C ATOM 734 O LYS A 47 7.694 12.771 -0.650 1.00 2.52 O ATOM 735 CB LYS A 47 8.004 9.505 -1.184 1.00 2.21 C ATOM 736 CG LYS A 47 9.210 8.990 -2.024 1.00 22.42 C ATOM 737 CD LYS A 47 10.109 7.998 -1.254 1.00 11.44 C ATOM 738 CE LYS A 47 9.424 6.642 -1.049 1.00 43.14 C ATOM 739 NZ LYS A 47 10.189 5.788 -0.120 1.00 10.12 N ATOM 0 H LYS A 47 8.117 8.927 1.285 1.00 61.24 H new ATOM 0 HA LYS A 47 9.382 10.910 -0.284 1.00 45.45 H new ATOM 0 HB2 LYS A 47 7.507 8.651 -0.725 1.00 2.21 H new ATOM 0 HB3 LYS A 47 7.283 9.971 -1.856 1.00 2.21 H new ATOM 0 HG2 LYS A 47 8.836 8.506 -2.926 1.00 22.42 H new ATOM 0 HG3 LYS A 47 9.811 9.841 -2.345 1.00 22.42 H new ATOM 0 HD2 LYS A 47 11.041 7.854 -1.800 1.00 11.44 H new ATOM 0 HD3 LYS A 47 10.370 8.423 -0.285 1.00 11.44 H new ATOM 0 HE2 LYS A 47 8.418 6.796 -0.659 1.00 43.14 H new ATOM 0 HE3 LYS A 47 9.320 6.136 -2.009 1.00 43.14 H new ATOM 0 HZ1 LYS A 47 10.002 4.788 -0.334 1.00 10.12 H new ATOM 0 HZ2 LYS A 47 11.205 5.981 -0.228 1.00 10.12 H new ATOM 0 HZ3 LYS A 47 9.900 5.993 0.858 1.00 10.12 H new ATOM 753 N ILE A 48 6.278 11.580 0.670 1.00 4.14 N ATOM 754 CA ILE A 48 5.270 12.648 0.781 1.00 34.44 C ATOM 755 C ILE A 48 5.806 13.775 1.706 1.00 15.20 C ATOM 756 O ILE A 48 5.487 14.946 1.523 1.00 51.13 O ATOM 757 CB ILE A 48 3.867 12.149 1.317 1.00 23.20 C ATOM 758 CG1 ILE A 48 3.502 10.713 0.809 1.00 61.12 C ATOM 759 CG2 ILE A 48 2.748 13.155 0.932 1.00 31.45 C ATOM 760 CD1 ILE A 48 3.316 10.564 -0.684 1.00 1.40 C ATOM 0 H ILE A 48 6.041 10.729 1.180 1.00 4.14 H new ATOM 0 HA ILE A 48 5.102 13.019 -0.230 1.00 34.44 H new ATOM 0 HB ILE A 48 3.947 12.094 2.403 1.00 23.20 H new ATOM 0 HG12 ILE A 48 4.287 10.027 1.127 1.00 61.12 H new ATOM 0 HG13 ILE A 48 2.583 10.398 1.303 1.00 61.12 H new ATOM 0 HG21 ILE A 48 1.790 12.796 1.309 1.00 31.45 H new ATOM 0 HG22 ILE A 48 2.968 14.129 1.370 1.00 31.45 H new ATOM 0 HG23 ILE A 48 2.699 13.248 -0.153 1.00 31.45 H new ATOM 0 HD11 ILE A 48 3.067 9.529 -0.918 1.00 1.40 H new ATOM 0 HD12 ILE A 48 2.509 11.216 -1.017 1.00 1.40 H new ATOM 0 HD13 ILE A 48 4.239 10.839 -1.195 1.00 1.40 H new ATOM 772 N LYS A 49 6.623 13.383 2.697 1.00 51.02 N ATOM 773 CA LYS A 49 7.207 14.305 3.687 1.00 64.32 C ATOM 774 C LYS A 49 8.269 15.220 3.039 1.00 31.41 C ATOM 775 O LYS A 49 8.287 16.435 3.277 1.00 70.24 O ATOM 776 CB LYS A 49 7.832 13.473 4.838 1.00 61.30 C ATOM 777 CG LYS A 49 8.498 14.282 5.969 1.00 13.54 C ATOM 778 CD LYS A 49 9.108 13.362 7.056 1.00 25.52 C ATOM 779 CE LYS A 49 9.816 14.143 8.169 1.00 53.53 C ATOM 780 NZ LYS A 49 10.382 13.244 9.214 1.00 42.34 N ATOM 0 H LYS A 49 6.899 12.411 2.835 1.00 51.02 H new ATOM 0 HA LYS A 49 6.422 14.949 4.083 1.00 64.32 H new ATOM 0 HB2 LYS A 49 7.052 12.849 5.275 1.00 61.30 H new ATOM 0 HB3 LYS A 49 8.576 12.801 4.412 1.00 61.30 H new ATOM 0 HG2 LYS A 49 9.279 14.916 5.550 1.00 13.54 H new ATOM 0 HG3 LYS A 49 7.761 14.943 6.425 1.00 13.54 H new ATOM 0 HD2 LYS A 49 8.318 12.751 7.493 1.00 25.52 H new ATOM 0 HD3 LYS A 49 9.818 12.679 6.590 1.00 25.52 H new ATOM 0 HE2 LYS A 49 10.616 14.744 7.737 1.00 53.53 H new ATOM 0 HE3 LYS A 49 9.111 14.835 8.630 1.00 53.53 H new ATOM 0 HZ1 LYS A 49 10.851 13.815 9.946 1.00 42.34 H new ATOM 0 HZ2 LYS A 49 9.616 12.689 9.646 1.00 42.34 H new ATOM 0 HZ3 LYS A 49 11.074 12.600 8.780 1.00 42.34 H new ATOM 794 N LYS A 50 9.139 14.620 2.208 1.00 52.22 N ATOM 795 CA LYS A 50 10.295 15.317 1.608 1.00 31.54 C ATOM 796 C LYS A 50 9.903 16.073 0.326 1.00 60.21 C ATOM 797 O LYS A 50 10.298 17.224 0.140 1.00 74.35 O ATOM 798 CB LYS A 50 11.457 14.311 1.335 1.00 10.44 C ATOM 799 CG LYS A 50 11.141 13.168 0.338 1.00 74.35 C ATOM 800 CD LYS A 50 12.287 12.137 0.158 1.00 5.42 C ATOM 801 CE LYS A 50 12.666 11.358 1.441 1.00 13.42 C ATOM 802 NZ LYS A 50 13.501 12.161 2.384 1.00 24.45 N ATOM 0 H LYS A 50 9.063 13.641 1.933 1.00 52.22 H new ATOM 0 HA LYS A 50 10.644 16.061 2.324 1.00 31.54 H new ATOM 0 HB2 LYS A 50 12.314 14.869 0.958 1.00 10.44 H new ATOM 0 HB3 LYS A 50 11.758 13.867 2.284 1.00 10.44 H new ATOM 0 HG2 LYS A 50 10.247 12.644 0.677 1.00 74.35 H new ATOM 0 HG3 LYS A 50 10.906 13.604 -0.633 1.00 74.35 H new ATOM 0 HD2 LYS A 50 11.996 11.422 -0.612 1.00 5.42 H new ATOM 0 HD3 LYS A 50 13.171 12.658 -0.209 1.00 5.42 H new ATOM 0 HE2 LYS A 50 11.756 11.041 1.950 1.00 13.42 H new ATOM 0 HE3 LYS A 50 13.208 10.454 1.164 1.00 13.42 H new ATOM 0 HZ1 LYS A 50 14.318 11.596 2.692 1.00 24.45 H new ATOM 0 HZ2 LYS A 50 13.836 13.021 1.905 1.00 24.45 H new ATOM 0 HZ3 LYS A 50 12.931 12.426 3.213 1.00 24.45 H new ATOM 816 N GLN A 51 9.112 15.424 -0.542 1.00 31.31 N ATOM 817 CA GLN A 51 8.761 15.958 -1.877 1.00 11.33 C ATOM 818 C GLN A 51 7.278 16.334 -1.944 1.00 60.10 C ATOM 819 O GLN A 51 6.922 17.397 -2.468 1.00 61.14 O ATOM 820 CB GLN A 51 9.116 14.910 -2.972 1.00 63.53 C ATOM 821 CG GLN A 51 8.741 15.332 -4.413 1.00 20.32 C ATOM 822 CD GLN A 51 9.317 14.422 -5.506 1.00 1.31 C ATOM 823 OE1 GLN A 51 10.399 13.850 -5.358 1.00 41.23 O ATOM 824 NE2 GLN A 51 8.589 14.262 -6.602 1.00 3.20 N ATOM 0 H GLN A 51 8.695 14.514 -0.343 1.00 31.31 H new ATOM 0 HA GLN A 51 9.340 16.864 -2.055 1.00 11.33 H new ATOM 0 HB2 GLN A 51 10.187 14.711 -2.933 1.00 63.53 H new ATOM 0 HB3 GLN A 51 8.609 13.974 -2.738 1.00 63.53 H new ATOM 0 HG2 GLN A 51 7.655 15.347 -4.504 1.00 20.32 H new ATOM 0 HG3 GLN A 51 9.089 16.351 -4.583 1.00 20.32 H new ATOM 0 HE21 GLN A 51 7.697 14.748 -6.697 1.00 3.20 H new ATOM 0 HE22 GLN A 51 8.920 13.653 -7.350 1.00 3.20 H new ATOM 833 N GLY A 52 6.419 15.465 -1.394 1.00 72.41 N ATOM 834 CA GLY A 52 4.974 15.643 -1.505 1.00 21.55 C ATOM 835 C GLY A 52 4.444 14.993 -2.763 1.00 21.04 C ATOM 836 O GLY A 52 3.844 15.655 -3.608 1.00 31.13 O ATOM 0 H GLY A 52 6.703 14.637 -0.871 1.00 72.41 H new ATOM 0 HA2 GLY A 52 4.483 15.211 -0.633 1.00 21.55 H new ATOM 0 HA3 GLY A 52 4.734 16.706 -1.512 1.00 21.55 H new ATOM 840 N CYS A 53 4.694 13.678 -2.875 1.00 71.31 N ATOM 841 CA CYS A 53 4.299 12.863 -4.032 1.00 55.02 C ATOM 842 C CYS A 53 2.771 12.887 -4.238 1.00 40.40 C ATOM 843 O CYS A 53 2.299 12.951 -5.371 1.00 75.33 O ATOM 844 CB CYS A 53 4.813 11.428 -3.827 1.00 52.30 C ATOM 845 SG CYS A 53 6.581 11.364 -3.477 1.00 72.11 S ATOM 0 H CYS A 53 5.182 13.146 -2.155 1.00 71.31 H new ATOM 0 HA CYS A 53 4.744 13.279 -4.936 1.00 55.02 H new ATOM 0 HB2 CYS A 53 4.267 10.965 -3.005 1.00 52.30 H new ATOM 0 HB3 CYS A 53 4.602 10.840 -4.720 1.00 52.30 H new ATOM 0 HG CYS A 53 7.247 11.695 -4.543 1.00 72.11 H new ATOM 851 N LYS A 54 2.013 12.811 -3.112 1.00 13.31 N ATOM 852 CA LYS A 54 0.535 12.986 -3.076 1.00 22.41 C ATOM 853 C LYS A 54 -0.244 11.954 -3.936 1.00 23.30 C ATOM 854 O LYS A 54 -1.463 12.081 -4.099 1.00 23.34 O ATOM 855 CB LYS A 54 0.149 14.446 -3.472 1.00 5.03 C ATOM 856 CG LYS A 54 0.601 15.528 -2.458 1.00 70.34 C ATOM 857 CD LYS A 54 0.216 16.979 -2.868 1.00 3.04 C ATOM 858 CE LYS A 54 -1.308 17.264 -2.845 1.00 75.42 C ATOM 859 NZ LYS A 54 -2.052 16.608 -3.965 1.00 1.44 N ATOM 0 H LYS A 54 2.415 12.624 -2.193 1.00 13.31 H new ATOM 0 HA LYS A 54 0.233 12.796 -2.046 1.00 22.41 H new ATOM 0 HB2 LYS A 54 0.586 14.673 -4.445 1.00 5.03 H new ATOM 0 HB3 LYS A 54 -0.933 14.504 -3.587 1.00 5.03 H new ATOM 0 HG2 LYS A 54 0.160 15.307 -1.486 1.00 70.34 H new ATOM 0 HG3 LYS A 54 1.683 15.470 -2.338 1.00 70.34 H new ATOM 0 HD2 LYS A 54 0.715 17.678 -2.197 1.00 3.04 H new ATOM 0 HD3 LYS A 54 0.595 17.174 -3.871 1.00 3.04 H new ATOM 0 HE2 LYS A 54 -1.720 16.922 -1.896 1.00 75.42 H new ATOM 0 HE3 LYS A 54 -1.470 18.341 -2.893 1.00 75.42 H new ATOM 0 HZ1 LYS A 54 -2.707 17.292 -4.395 1.00 1.44 H new ATOM 0 HZ2 LYS A 54 -1.377 16.277 -4.683 1.00 1.44 H new ATOM 0 HZ3 LYS A 54 -2.591 15.798 -3.597 1.00 1.44 H new ATOM 873 N ARG A 55 0.457 10.928 -4.440 1.00 71.15 N ATOM 874 CA ARG A 55 -0.141 9.868 -5.251 1.00 51.34 C ATOM 875 C ARG A 55 0.657 8.584 -5.025 1.00 3.01 C ATOM 876 O ARG A 55 1.873 8.542 -5.229 1.00 52.00 O ATOM 877 CB ARG A 55 -0.177 10.240 -6.762 1.00 35.53 C ATOM 878 CG ARG A 55 -0.913 9.199 -7.649 1.00 32.41 C ATOM 879 CD ARG A 55 -0.971 9.599 -9.137 1.00 4.34 C ATOM 880 NE ARG A 55 -1.701 8.609 -9.942 1.00 3.53 N ATOM 881 CZ ARG A 55 -1.950 8.709 -11.258 1.00 72.24 C ATOM 882 NH1 ARG A 55 -1.529 9.759 -11.962 1.00 23.01 N ATOM 883 NH2 ARG A 55 -2.631 7.756 -11.857 1.00 54.30 N ATOM 0 H ARG A 55 1.460 10.814 -4.293 1.00 71.15 H new ATOM 0 HA ARG A 55 -1.177 9.727 -4.945 1.00 51.34 H new ATOM 0 HB2 ARG A 55 -0.664 11.209 -6.876 1.00 35.53 H new ATOM 0 HB3 ARG A 55 0.845 10.352 -7.123 1.00 35.53 H new ATOM 0 HG2 ARG A 55 -0.412 8.235 -7.558 1.00 32.41 H new ATOM 0 HG3 ARG A 55 -1.928 9.067 -7.275 1.00 32.41 H new ATOM 0 HD2 ARG A 55 -1.453 10.572 -9.233 1.00 4.34 H new ATOM 0 HD3 ARG A 55 0.042 9.706 -9.524 1.00 4.34 H new ATOM 0 HE ARG A 55 -2.047 7.778 -9.462 1.00 3.53 H new ATOM 0 HH11 ARG A 55 -1.007 10.505 -11.502 1.00 23.01 H new ATOM 0 HH12 ARG A 55 -1.728 9.816 -12.961 1.00 23.01 H new ATOM 0 HH21 ARG A 55 -2.963 6.953 -11.322 1.00 54.30 H new ATOM 0 HH22 ARG A 55 -2.827 7.820 -12.856 1.00 54.30 H new ATOM 897 N VAL A 56 -0.044 7.565 -4.550 1.00 31.35 N ATOM 898 CA VAL A 56 0.499 6.240 -4.261 1.00 3.33 C ATOM 899 C VAL A 56 -0.366 5.212 -5.014 1.00 73.32 C ATOM 900 O VAL A 56 -1.540 5.459 -5.253 1.00 34.31 O ATOM 901 CB VAL A 56 0.480 5.951 -2.710 1.00 24.44 C ATOM 902 CG1 VAL A 56 1.053 4.565 -2.381 1.00 71.25 C ATOM 903 CG2 VAL A 56 1.237 7.037 -1.906 1.00 42.31 C ATOM 0 H VAL A 56 -1.041 7.637 -4.347 1.00 31.35 H new ATOM 0 HA VAL A 56 1.537 6.178 -4.586 1.00 3.33 H new ATOM 0 HB VAL A 56 -0.568 5.973 -2.411 1.00 24.44 H new ATOM 0 HG11 VAL A 56 1.022 4.405 -1.303 1.00 71.25 H new ATOM 0 HG12 VAL A 56 0.459 3.798 -2.879 1.00 71.25 H new ATOM 0 HG13 VAL A 56 2.085 4.506 -2.727 1.00 71.25 H new ATOM 0 HG21 VAL A 56 1.198 6.797 -0.844 1.00 42.31 H new ATOM 0 HG22 VAL A 56 2.277 7.072 -2.232 1.00 42.31 H new ATOM 0 HG23 VAL A 56 0.770 8.007 -2.076 1.00 42.31 H new ATOM 913 N LYS A 57 0.236 4.105 -5.438 1.00 14.41 N ATOM 914 CA LYS A 57 -0.458 2.989 -6.100 1.00 22.13 C ATOM 915 C LYS A 57 -0.020 1.688 -5.422 1.00 12.10 C ATOM 916 O LYS A 57 1.147 1.540 -5.055 1.00 22.43 O ATOM 917 CB LYS A 57 -0.124 2.940 -7.616 1.00 74.25 C ATOM 918 CG LYS A 57 -0.475 4.226 -8.400 1.00 54.40 C ATOM 919 CD LYS A 57 -0.216 4.096 -9.918 1.00 73.41 C ATOM 920 CE LYS A 57 -1.039 2.963 -10.556 1.00 50.22 C ATOM 921 NZ LYS A 57 -0.895 2.919 -12.034 1.00 42.55 N ATOM 0 H LYS A 57 1.238 3.949 -5.332 1.00 14.41 H new ATOM 0 HA LYS A 57 -1.536 3.125 -6.008 1.00 22.13 H new ATOM 0 HB2 LYS A 57 0.941 2.740 -7.733 1.00 74.25 H new ATOM 0 HB3 LYS A 57 -0.657 2.101 -8.064 1.00 74.25 H new ATOM 0 HG2 LYS A 57 -1.524 4.470 -8.235 1.00 54.40 H new ATOM 0 HG3 LYS A 57 0.111 5.056 -8.007 1.00 54.40 H new ATOM 0 HD2 LYS A 57 -0.459 5.039 -10.408 1.00 73.41 H new ATOM 0 HD3 LYS A 57 0.845 3.912 -10.089 1.00 73.41 H new ATOM 0 HE2 LYS A 57 -0.725 2.008 -10.135 1.00 50.22 H new ATOM 0 HE3 LYS A 57 -2.090 3.093 -10.300 1.00 50.22 H new ATOM 0 HZ1 LYS A 57 -1.468 2.140 -12.416 1.00 42.55 H new ATOM 0 HZ2 LYS A 57 -1.220 3.819 -12.441 1.00 42.55 H new ATOM 0 HZ3 LYS A 57 0.104 2.767 -12.281 1.00 42.55 H new ATOM 935 N ILE A 58 -0.958 0.758 -5.237 1.00 33.52 N ATOM 936 CA ILE A 58 -0.695 -0.541 -4.599 1.00 3.53 C ATOM 937 C ILE A 58 -1.141 -1.630 -5.571 1.00 41.35 C ATOM 938 O ILE A 58 -2.325 -1.787 -5.808 1.00 14.34 O ATOM 939 CB ILE A 58 -1.496 -0.663 -3.247 1.00 34.42 C ATOM 940 CG1 ILE A 58 -1.140 0.521 -2.290 1.00 2.13 C ATOM 941 CG2 ILE A 58 -1.278 -2.041 -2.569 1.00 41.21 C ATOM 942 CD1 ILE A 58 -2.094 0.699 -1.129 1.00 74.23 C ATOM 0 H ILE A 58 -1.928 0.882 -5.526 1.00 33.52 H new ATOM 0 HA ILE A 58 0.366 -0.641 -4.368 1.00 3.53 H new ATOM 0 HB ILE A 58 -2.559 -0.598 -3.479 1.00 34.42 H new ATOM 0 HG12 ILE A 58 -0.135 0.364 -1.897 1.00 2.13 H new ATOM 0 HG13 ILE A 58 -1.116 1.444 -2.869 1.00 2.13 H new ATOM 0 HG21 ILE A 58 -1.847 -2.084 -1.641 1.00 41.21 H new ATOM 0 HG22 ILE A 58 -1.615 -2.833 -3.238 1.00 41.21 H new ATOM 0 HG23 ILE A 58 -0.218 -2.176 -2.351 1.00 41.21 H new ATOM 0 HD11 ILE A 58 -1.771 1.542 -0.518 1.00 74.23 H new ATOM 0 HD12 ILE A 58 -3.098 0.890 -1.509 1.00 74.23 H new ATOM 0 HD13 ILE A 58 -2.102 -0.207 -0.522 1.00 74.23 H new ATOM 954 N ARG A 59 -0.198 -2.388 -6.119 1.00 40.32 N ATOM 955 CA ARG A 59 -0.504 -3.457 -7.086 1.00 31.21 C ATOM 956 C ARG A 59 -0.226 -4.791 -6.403 1.00 34.13 C ATOM 957 O ARG A 59 0.825 -4.954 -5.783 1.00 72.21 O ATOM 958 CB ARG A 59 0.367 -3.314 -8.357 1.00 24.43 C ATOM 959 CG ARG A 59 -0.050 -4.219 -9.535 1.00 42.51 C ATOM 960 CD ARG A 59 0.978 -4.203 -10.687 1.00 63.30 C ATOM 961 NE ARG A 59 1.482 -2.854 -11.010 1.00 41.21 N ATOM 962 CZ ARG A 59 0.795 -1.881 -11.635 1.00 74.22 C ATOM 963 NH1 ARG A 59 -0.460 -2.060 -12.029 1.00 23.03 N ATOM 964 NH2 ARG A 59 1.380 -0.723 -11.838 1.00 71.45 N ATOM 0 H ARG A 59 0.796 -2.287 -5.913 1.00 40.32 H new ATOM 0 HA ARG A 59 -1.547 -3.394 -7.396 1.00 31.21 H new ATOM 0 HB2 ARG A 59 0.335 -2.276 -8.687 1.00 24.43 H new ATOM 0 HB3 ARG A 59 1.402 -3.535 -8.097 1.00 24.43 H new ATOM 0 HG2 ARG A 59 -0.174 -5.241 -9.177 1.00 42.51 H new ATOM 0 HG3 ARG A 59 -1.019 -3.894 -9.913 1.00 42.51 H new ATOM 0 HD2 ARG A 59 1.820 -4.842 -10.421 1.00 63.30 H new ATOM 0 HD3 ARG A 59 0.520 -4.634 -11.578 1.00 63.30 H new ATOM 0 HE ARG A 59 2.440 -2.640 -10.734 1.00 41.21 H new ATOM 0 HH11 ARG A 59 -0.925 -2.952 -11.860 1.00 23.03 H new ATOM 0 HH12 ARG A 59 -0.959 -1.306 -12.501 1.00 23.03 H new ATOM 0 HH21 ARG A 59 2.339 -0.574 -11.524 1.00 71.45 H new ATOM 0 HH22 ARG A 59 0.876 0.027 -12.310 1.00 71.45 H new ATOM 978 N PHE A 60 -1.177 -5.722 -6.488 1.00 11.23 N ATOM 979 CA PHE A 60 -1.055 -7.028 -5.838 1.00 1.32 C ATOM 980 C PHE A 60 -1.970 -8.019 -6.577 1.00 61.35 C ATOM 981 O PHE A 60 -3.153 -7.747 -6.758 1.00 63.31 O ATOM 982 CB PHE A 60 -1.469 -6.854 -4.335 1.00 44.20 C ATOM 983 CG PHE A 60 -1.109 -7.979 -3.354 1.00 2.13 C ATOM 984 CD1 PHE A 60 -0.919 -9.296 -3.759 1.00 2.02 C ATOM 985 CD2 PHE A 60 -0.992 -7.695 -1.994 1.00 34.45 C ATOM 986 CE1 PHE A 60 -0.633 -10.286 -2.860 1.00 61.40 C ATOM 987 CE2 PHE A 60 -0.697 -8.695 -1.088 1.00 44.24 C ATOM 988 CZ PHE A 60 -0.519 -9.992 -1.529 1.00 35.41 C ATOM 0 H PHE A 60 -2.047 -5.594 -7.005 1.00 11.23 H new ATOM 0 HA PHE A 60 -0.037 -7.416 -5.874 1.00 1.32 H new ATOM 0 HB2 PHE A 60 -1.016 -5.933 -3.968 1.00 44.20 H new ATOM 0 HB3 PHE A 60 -2.549 -6.713 -4.300 1.00 44.20 H new ATOM 0 HD1 PHE A 60 -0.999 -9.542 -4.807 1.00 2.02 H new ATOM 0 HD2 PHE A 60 -1.133 -6.683 -1.645 1.00 34.45 H new ATOM 0 HE1 PHE A 60 -0.497 -11.302 -3.201 1.00 61.40 H new ATOM 0 HE2 PHE A 60 -0.606 -8.463 -0.037 1.00 44.24 H new ATOM 0 HZ PHE A 60 -0.289 -10.775 -0.822 1.00 35.41 H new ATOM 998 N GLU A 61 -1.426 -9.199 -6.901 1.00 61.12 N ATOM 999 CA GLU A 61 -2.154 -10.284 -7.587 1.00 1.23 C ATOM 1000 C GLU A 61 -3.055 -11.018 -6.574 1.00 22.14 C ATOM 1001 O GLU A 61 -2.646 -11.217 -5.440 1.00 34.10 O ATOM 1002 CB GLU A 61 -1.144 -11.285 -8.207 1.00 63.21 C ATOM 1003 CG GLU A 61 -1.786 -12.425 -9.039 1.00 2.15 C ATOM 1004 CD GLU A 61 -0.799 -13.549 -9.385 1.00 53.42 C ATOM 1005 OE1 GLU A 61 0.263 -13.271 -9.976 1.00 13.33 O ATOM 1006 OE2 GLU A 61 -1.082 -14.720 -9.074 1.00 63.32 O ATOM 0 H GLU A 61 -0.455 -9.434 -6.693 1.00 61.12 H new ATOM 0 HA GLU A 61 -2.769 -9.860 -8.381 1.00 1.23 H new ATOM 0 HB2 GLU A 61 -0.453 -10.734 -8.845 1.00 63.21 H new ATOM 0 HB3 GLU A 61 -0.554 -11.728 -7.405 1.00 63.21 H new ATOM 0 HG2 GLU A 61 -2.624 -12.845 -8.483 1.00 2.15 H new ATOM 0 HG3 GLU A 61 -2.191 -12.009 -9.961 1.00 2.15 H new ATOM 1013 N LYS A 62 -4.280 -11.390 -6.988 1.00 40.10 N ATOM 1014 CA LYS A 62 -5.251 -12.140 -6.136 1.00 3.34 C ATOM 1015 C LYS A 62 -5.442 -13.577 -6.637 1.00 62.20 C ATOM 1016 O LYS A 62 -5.914 -14.445 -5.899 1.00 25.22 O ATOM 1017 CB LYS A 62 -6.626 -11.412 -6.137 1.00 34.04 C ATOM 1018 CG LYS A 62 -6.621 -10.011 -5.504 1.00 32.40 C ATOM 1019 CD LYS A 62 -6.259 -10.001 -3.985 1.00 34.11 C ATOM 1020 CE LYS A 62 -4.797 -9.656 -3.709 1.00 34.31 C ATOM 1021 NZ LYS A 62 -4.455 -8.278 -4.155 1.00 52.33 N ATOM 0 H LYS A 62 -4.635 -11.184 -7.922 1.00 40.10 H new ATOM 0 HA LYS A 62 -4.847 -12.177 -5.124 1.00 3.34 H new ATOM 0 HB2 LYS A 62 -6.975 -11.328 -7.166 1.00 34.04 H new ATOM 0 HB3 LYS A 62 -7.348 -12.032 -5.606 1.00 34.04 H new ATOM 0 HG2 LYS A 62 -5.909 -9.384 -6.041 1.00 32.40 H new ATOM 0 HG3 LYS A 62 -7.605 -9.561 -5.635 1.00 32.40 H new ATOM 0 HD2 LYS A 62 -6.897 -9.281 -3.472 1.00 34.11 H new ATOM 0 HD3 LYS A 62 -6.479 -10.981 -3.561 1.00 34.11 H new ATOM 0 HE2 LYS A 62 -4.597 -9.752 -2.642 1.00 34.31 H new ATOM 0 HE3 LYS A 62 -4.153 -10.372 -4.219 1.00 34.31 H new ATOM 0 HZ1 LYS A 62 -3.667 -7.913 -3.582 1.00 52.33 H new ATOM 0 HZ2 LYS A 62 -4.175 -8.297 -5.157 1.00 52.33 H new ATOM 0 HZ3 LYS A 62 -5.283 -7.660 -4.038 1.00 52.33 H new ATOM 1035 N LYS A 63 -5.069 -13.799 -7.902 1.00 62.52 N ATOM 1036 CA LYS A 63 -5.329 -15.044 -8.633 1.00 41.25 C ATOM 1037 C LYS A 63 -4.566 -16.235 -8.019 1.00 12.14 C ATOM 1038 O LYS A 63 -5.108 -17.352 -7.925 1.00 22.30 O ATOM 1039 CB LYS A 63 -4.952 -14.782 -10.108 1.00 43.32 C ATOM 1040 CG LYS A 63 -5.233 -15.925 -11.127 1.00 42.32 C ATOM 1041 CD LYS A 63 -4.111 -16.992 -11.205 1.00 63.22 C ATOM 1042 CE LYS A 63 -2.749 -16.401 -11.618 1.00 23.34 C ATOM 1043 NZ LYS A 63 -1.651 -17.400 -11.510 1.00 71.34 N ATOM 0 H LYS A 63 -4.568 -13.105 -8.457 1.00 62.52 H new ATOM 0 HA LYS A 63 -6.380 -15.326 -8.566 1.00 41.25 H new ATOM 0 HB2 LYS A 63 -5.488 -13.893 -10.441 1.00 43.32 H new ATOM 0 HB3 LYS A 63 -3.888 -14.547 -10.148 1.00 43.32 H new ATOM 0 HG2 LYS A 63 -6.168 -16.416 -10.858 1.00 42.32 H new ATOM 0 HG3 LYS A 63 -5.375 -15.489 -12.116 1.00 42.32 H new ATOM 0 HD2 LYS A 63 -4.011 -17.478 -10.235 1.00 63.22 H new ATOM 0 HD3 LYS A 63 -4.399 -17.763 -11.920 1.00 63.22 H new ATOM 0 HE2 LYS A 63 -2.808 -16.037 -12.644 1.00 23.34 H new ATOM 0 HE3 LYS A 63 -2.521 -15.542 -10.987 1.00 23.34 H new ATOM 0 HZ1 LYS A 63 -0.753 -16.961 -11.797 1.00 71.34 H new ATOM 0 HZ2 LYS A 63 -1.577 -17.729 -10.526 1.00 71.34 H new ATOM 0 HZ3 LYS A 63 -1.855 -18.209 -12.131 1.00 71.34 H new ATOM 1057 N GLY A 64 -3.314 -15.997 -7.609 1.00 24.33 N ATOM 1058 CA GLY A 64 -2.488 -17.042 -7.002 1.00 73.11 C ATOM 1059 C GLY A 64 -2.775 -17.285 -5.529 1.00 54.32 C ATOM 1060 O GLY A 64 -2.231 -18.221 -4.932 1.00 63.21 O ATOM 0 H GLY A 64 -2.853 -15.090 -7.687 1.00 24.33 H new ATOM 0 HA2 GLY A 64 -2.639 -17.973 -7.549 1.00 73.11 H new ATOM 0 HA3 GLY A 64 -1.438 -16.772 -7.117 1.00 73.11 H new ATOM 1064 N LEU A 65 -3.648 -16.458 -4.940 1.00 55.40 N ATOM 1065 CA LEU A 65 -3.897 -16.453 -3.494 1.00 21.25 C ATOM 1066 C LEU A 65 -5.082 -17.353 -3.122 1.00 4.03 C ATOM 1067 O LEU A 65 -6.132 -17.335 -3.782 1.00 12.24 O ATOM 1068 CB LEU A 65 -4.156 -14.997 -3.010 1.00 12.22 C ATOM 1069 CG LEU A 65 -2.907 -14.076 -2.880 1.00 44.24 C ATOM 1070 CD1 LEU A 65 -2.125 -13.938 -4.196 1.00 65.14 C ATOM 1071 CD2 LEU A 65 -3.302 -12.700 -2.336 1.00 42.12 C ATOM 0 H LEU A 65 -4.202 -15.773 -5.454 1.00 55.40 H new ATOM 0 HA LEU A 65 -3.012 -16.850 -2.997 1.00 21.25 H new ATOM 0 HB2 LEU A 65 -4.856 -14.527 -3.701 1.00 12.22 H new ATOM 0 HB3 LEU A 65 -4.649 -15.043 -2.039 1.00 12.22 H new ATOM 0 HG LEU A 65 -2.237 -14.559 -2.169 1.00 44.24 H new ATOM 0 HD11 LEU A 65 -1.266 -13.285 -4.042 1.00 65.14 H new ATOM 0 HD12 LEU A 65 -1.780 -14.920 -4.519 1.00 65.14 H new ATOM 0 HD13 LEU A 65 -2.773 -13.511 -4.961 1.00 65.14 H new ATOM 0 HD21 LEU A 65 -2.414 -12.073 -2.253 1.00 42.12 H new ATOM 0 HD22 LEU A 65 -4.015 -12.232 -3.014 1.00 42.12 H new ATOM 0 HD23 LEU A 65 -3.758 -12.815 -1.353 1.00 42.12 H new ATOM 1083 N ASP A 66 -4.880 -18.137 -2.050 1.00 24.15 N ATOM 1084 CA ASP A 66 -5.953 -18.853 -1.326 1.00 60.11 C ATOM 1085 C ASP A 66 -7.006 -17.840 -0.837 1.00 42.45 C ATOM 1086 O ASP A 66 -6.674 -16.682 -0.664 1.00 13.32 O ATOM 1087 CB ASP A 66 -5.324 -19.616 -0.125 1.00 25.35 C ATOM 1088 CG ASP A 66 -6.348 -20.310 0.794 1.00 42.34 C ATOM 1089 OD1 ASP A 66 -6.847 -21.398 0.429 1.00 43.02 O ATOM 1090 OD2 ASP A 66 -6.682 -19.752 1.867 1.00 65.32 O ATOM 0 H ASP A 66 -3.954 -18.296 -1.653 1.00 24.15 H new ATOM 0 HA ASP A 66 -6.444 -19.569 -1.986 1.00 60.11 H new ATOM 0 HB2 ASP A 66 -4.632 -20.365 -0.509 1.00 25.35 H new ATOM 0 HB3 ASP A 66 -4.738 -18.915 0.469 1.00 25.35 H new ATOM 1095 N ASP A 67 -8.258 -18.284 -0.608 1.00 1.40 N ATOM 1096 CA ASP A 67 -9.379 -17.397 -0.173 1.00 41.14 C ATOM 1097 C ASP A 67 -9.002 -16.530 1.042 1.00 30.44 C ATOM 1098 O ASP A 67 -9.250 -15.322 1.051 1.00 11.45 O ATOM 1099 CB ASP A 67 -10.646 -18.221 0.176 1.00 1.10 C ATOM 1100 CG ASP A 67 -11.231 -18.953 -1.035 1.00 14.15 C ATOM 1101 OD1 ASP A 67 -10.746 -20.052 -1.358 1.00 53.45 O ATOM 1102 OD2 ASP A 67 -12.162 -18.428 -1.681 1.00 64.15 O ATOM 0 H ASP A 67 -8.530 -19.261 -0.716 1.00 1.40 H new ATOM 0 HA ASP A 67 -9.587 -16.741 -1.018 1.00 41.14 H new ATOM 0 HB2 ASP A 67 -10.399 -18.948 0.950 1.00 1.10 H new ATOM 0 HB3 ASP A 67 -11.402 -17.556 0.593 1.00 1.10 H new ATOM 1107 N ASP A 68 -8.377 -17.167 2.041 1.00 54.31 N ATOM 1108 CA ASP A 68 -7.969 -16.502 3.283 1.00 64.44 C ATOM 1109 C ASP A 68 -6.766 -15.574 3.042 1.00 23.42 C ATOM 1110 O ASP A 68 -6.747 -14.445 3.539 1.00 1.24 O ATOM 1111 CB ASP A 68 -7.646 -17.550 4.374 1.00 41.04 C ATOM 1112 CG ASP A 68 -7.285 -16.889 5.715 1.00 43.45 C ATOM 1113 OD1 ASP A 68 -8.204 -16.382 6.394 1.00 72.21 O ATOM 1114 OD2 ASP A 68 -6.091 -16.856 6.092 1.00 11.41 O ATOM 0 H ASP A 68 -8.140 -18.159 2.010 1.00 54.31 H new ATOM 0 HA ASP A 68 -8.799 -15.887 3.630 1.00 64.44 H new ATOM 0 HB2 ASP A 68 -8.505 -18.207 4.512 1.00 41.04 H new ATOM 0 HB3 ASP A 68 -6.817 -18.175 4.043 1.00 41.04 H new ATOM 1119 N ALA A 69 -5.782 -16.060 2.256 1.00 24.05 N ATOM 1120 CA ALA A 69 -4.596 -15.263 1.871 1.00 61.31 C ATOM 1121 C ALA A 69 -5.001 -13.996 1.095 1.00 33.15 C ATOM 1122 O ALA A 69 -4.429 -12.935 1.290 1.00 74.40 O ATOM 1123 CB ALA A 69 -3.652 -16.102 1.011 1.00 24.12 C ATOM 0 H ALA A 69 -5.785 -17.006 1.873 1.00 24.05 H new ATOM 0 HA ALA A 69 -4.089 -14.962 2.788 1.00 61.31 H new ATOM 0 HB1 ALA A 69 -2.784 -15.504 0.734 1.00 24.12 H new ATOM 0 HB2 ALA A 69 -3.326 -16.976 1.575 1.00 24.12 H new ATOM 0 HB3 ALA A 69 -4.172 -16.425 0.109 1.00 24.12 H new ATOM 1129 N ARG A 70 -6.024 -14.158 0.251 1.00 31.34 N ATOM 1130 CA ARG A 70 -6.539 -13.134 -0.660 1.00 23.10 C ATOM 1131 C ARG A 70 -7.290 -12.055 0.115 1.00 54.51 C ATOM 1132 O ARG A 70 -7.136 -10.866 -0.155 1.00 33.40 O ATOM 1133 CB ARG A 70 -7.479 -13.813 -1.697 1.00 64.40 C ATOM 1134 CG ARG A 70 -8.133 -12.846 -2.692 1.00 11.54 C ATOM 1135 CD ARG A 70 -9.074 -13.532 -3.695 1.00 2.11 C ATOM 1136 NE ARG A 70 -9.757 -12.547 -4.553 1.00 63.52 N ATOM 1137 CZ ARG A 70 -10.881 -12.775 -5.256 1.00 2.31 C ATOM 1138 NH1 ARG A 70 -11.485 -13.963 -5.221 1.00 22.25 N ATOM 1139 NH2 ARG A 70 -11.414 -11.790 -5.962 1.00 50.41 N ATOM 0 H ARG A 70 -6.534 -15.038 0.182 1.00 31.34 H new ATOM 0 HA ARG A 70 -5.708 -12.655 -1.177 1.00 23.10 H new ATOM 0 HB2 ARG A 70 -6.908 -14.556 -2.254 1.00 64.40 H new ATOM 0 HB3 ARG A 70 -8.263 -14.349 -1.162 1.00 64.40 H new ATOM 0 HG2 ARG A 70 -8.694 -12.093 -2.138 1.00 11.54 H new ATOM 0 HG3 ARG A 70 -7.352 -12.321 -3.241 1.00 11.54 H new ATOM 0 HD2 ARG A 70 -8.505 -14.224 -4.315 1.00 2.11 H new ATOM 0 HD3 ARG A 70 -9.815 -14.123 -3.156 1.00 2.11 H new ATOM 0 HE ARG A 70 -9.344 -11.617 -4.619 1.00 63.52 H new ATOM 0 HH11 ARG A 70 -11.095 -14.717 -4.655 1.00 22.25 H new ATOM 0 HH12 ARG A 70 -12.337 -14.118 -5.760 1.00 22.25 H new ATOM 0 HH21 ARG A 70 -10.973 -10.871 -5.969 1.00 50.41 H new ATOM 0 HH22 ARG A 70 -12.266 -11.951 -6.499 1.00 50.41 H new ATOM 1153 N LYS A 71 -8.092 -12.517 1.079 1.00 31.33 N ATOM 1154 CA LYS A 71 -8.943 -11.675 1.924 1.00 24.45 C ATOM 1155 C LYS A 71 -8.099 -10.769 2.839 1.00 12.54 C ATOM 1156 O LYS A 71 -8.357 -9.563 2.940 1.00 45.23 O ATOM 1157 CB LYS A 71 -9.857 -12.596 2.759 1.00 12.11 C ATOM 1158 CG LYS A 71 -10.800 -11.873 3.739 1.00 14.10 C ATOM 1159 CD LYS A 71 -11.606 -12.875 4.589 1.00 1.40 C ATOM 1160 CE LYS A 71 -12.511 -12.205 5.629 1.00 64.21 C ATOM 1161 NZ LYS A 71 -13.198 -13.221 6.470 1.00 53.43 N ATOM 0 H LYS A 71 -8.169 -13.510 1.298 1.00 31.33 H new ATOM 0 HA LYS A 71 -9.546 -11.020 1.296 1.00 24.45 H new ATOM 0 HB2 LYS A 71 -10.459 -13.197 2.078 1.00 12.11 H new ATOM 0 HB3 LYS A 71 -9.231 -13.286 3.325 1.00 12.11 H new ATOM 0 HG2 LYS A 71 -10.218 -11.224 4.394 1.00 14.10 H new ATOM 0 HG3 LYS A 71 -11.485 -11.233 3.182 1.00 14.10 H new ATOM 0 HD2 LYS A 71 -12.218 -13.490 3.929 1.00 1.40 H new ATOM 0 HD3 LYS A 71 -10.914 -13.546 5.099 1.00 1.40 H new ATOM 0 HE2 LYS A 71 -11.918 -11.545 6.262 1.00 64.21 H new ATOM 0 HE3 LYS A 71 -13.251 -11.583 5.126 1.00 64.21 H new ATOM 0 HZ1 LYS A 71 -13.805 -12.743 7.166 1.00 53.43 H new ATOM 0 HZ2 LYS A 71 -13.781 -13.835 5.866 1.00 53.43 H new ATOM 0 HZ3 LYS A 71 -12.489 -13.797 6.967 1.00 53.43 H new ATOM 1175 N LYS A 72 -7.095 -11.382 3.494 1.00 13.34 N ATOM 1176 CA LYS A 72 -6.155 -10.676 4.378 1.00 62.22 C ATOM 1177 C LYS A 72 -5.268 -9.703 3.577 1.00 41.12 C ATOM 1178 O LYS A 72 -4.938 -8.626 4.065 1.00 41.34 O ATOM 1179 CB LYS A 72 -5.252 -11.683 5.135 1.00 1.43 C ATOM 1180 CG LYS A 72 -5.936 -12.498 6.255 1.00 41.43 C ATOM 1181 CD LYS A 72 -4.925 -13.436 6.961 1.00 32.11 C ATOM 1182 CE LYS A 72 -5.427 -13.964 8.315 1.00 10.44 C ATOM 1183 NZ LYS A 72 -6.598 -14.864 8.190 1.00 43.44 N ATOM 0 H LYS A 72 -6.915 -12.383 3.423 1.00 13.34 H new ATOM 0 HA LYS A 72 -6.746 -10.109 5.098 1.00 62.22 H new ATOM 0 HB2 LYS A 72 -4.833 -12.380 4.410 1.00 1.43 H new ATOM 0 HB3 LYS A 72 -4.416 -11.135 5.570 1.00 1.43 H new ATOM 0 HG2 LYS A 72 -6.378 -11.819 6.985 1.00 41.43 H new ATOM 0 HG3 LYS A 72 -6.751 -13.087 5.834 1.00 41.43 H new ATOM 0 HD2 LYS A 72 -4.707 -14.281 6.308 1.00 32.11 H new ATOM 0 HD3 LYS A 72 -3.988 -12.900 7.113 1.00 32.11 H new ATOM 0 HE2 LYS A 72 -4.617 -14.498 8.813 1.00 10.44 H new ATOM 0 HE3 LYS A 72 -5.691 -13.120 8.952 1.00 10.44 H new ATOM 0 HZ1 LYS A 72 -6.984 -15.065 9.135 1.00 43.44 H new ATOM 0 HZ2 LYS A 72 -7.328 -14.405 7.608 1.00 43.44 H new ATOM 0 HZ3 LYS A 72 -6.305 -15.754 7.739 1.00 43.44 H new ATOM 1197 N ALA A 73 -4.879 -10.118 2.358 1.00 41.12 N ATOM 1198 CA ALA A 73 -4.021 -9.323 1.459 1.00 23.25 C ATOM 1199 C ALA A 73 -4.778 -8.128 0.862 1.00 1.33 C ATOM 1200 O ALA A 73 -4.189 -7.077 0.593 1.00 15.34 O ATOM 1201 CB ALA A 73 -3.491 -10.211 0.340 1.00 20.44 C ATOM 0 H ALA A 73 -5.152 -11.019 1.966 1.00 41.12 H new ATOM 0 HA ALA A 73 -3.191 -8.931 2.046 1.00 23.25 H new ATOM 0 HB1 ALA A 73 -2.857 -9.622 -0.323 1.00 20.44 H new ATOM 0 HB2 ALA A 73 -2.909 -11.027 0.768 1.00 20.44 H new ATOM 0 HB3 ALA A 73 -4.327 -10.620 -0.227 1.00 20.44 H new ATOM 1207 N LYS A 74 -6.082 -8.331 0.638 1.00 34.30 N ATOM 1208 CA LYS A 74 -7.006 -7.296 0.153 1.00 11.15 C ATOM 1209 C LYS A 74 -7.203 -6.241 1.245 1.00 21.13 C ATOM 1210 O LYS A 74 -7.131 -5.038 0.977 1.00 71.41 O ATOM 1211 CB LYS A 74 -8.349 -7.952 -0.238 1.00 70.43 C ATOM 1212 CG LYS A 74 -9.479 -6.963 -0.625 1.00 52.03 C ATOM 1213 CD LYS A 74 -10.810 -7.667 -0.971 1.00 24.25 C ATOM 1214 CE LYS A 74 -11.375 -8.485 0.205 1.00 30.14 C ATOM 1215 NZ LYS A 74 -11.702 -7.620 1.369 1.00 31.53 N ATOM 0 H LYS A 74 -6.533 -9.233 0.791 1.00 34.30 H new ATOM 0 HA LYS A 74 -6.594 -6.805 -0.729 1.00 11.15 H new ATOM 0 HB2 LYS A 74 -8.175 -8.626 -1.077 1.00 70.43 H new ATOM 0 HB3 LYS A 74 -8.693 -8.563 0.596 1.00 70.43 H new ATOM 0 HG2 LYS A 74 -9.645 -6.270 0.200 1.00 52.03 H new ATOM 0 HG3 LYS A 74 -9.156 -6.369 -1.480 1.00 52.03 H new ATOM 0 HD2 LYS A 74 -11.543 -6.919 -1.273 1.00 24.25 H new ATOM 0 HD3 LYS A 74 -10.656 -8.326 -1.825 1.00 24.25 H new ATOM 0 HE2 LYS A 74 -12.271 -9.015 -0.118 1.00 30.14 H new ATOM 0 HE3 LYS A 74 -10.649 -9.240 0.505 1.00 30.14 H new ATOM 0 HZ1 LYS A 74 -12.173 -8.188 2.102 1.00 31.53 H new ATOM 0 HZ2 LYS A 74 -10.827 -7.213 1.756 1.00 31.53 H new ATOM 0 HZ3 LYS A 74 -12.336 -6.853 1.065 1.00 31.53 H new ATOM 1229 N LYS A 75 -7.419 -6.729 2.491 1.00 15.42 N ATOM 1230 CA LYS A 75 -7.509 -5.876 3.681 1.00 11.13 C ATOM 1231 C LYS A 75 -6.197 -5.105 3.868 1.00 4.33 C ATOM 1232 O LYS A 75 -6.226 -3.911 4.094 1.00 12.10 O ATOM 1233 CB LYS A 75 -7.812 -6.709 4.958 1.00 35.24 C ATOM 1234 CG LYS A 75 -7.868 -5.858 6.255 1.00 4.23 C ATOM 1235 CD LYS A 75 -7.922 -6.700 7.551 1.00 53.24 C ATOM 1236 CE LYS A 75 -7.853 -5.823 8.816 1.00 44.52 C ATOM 1237 NZ LYS A 75 -7.747 -6.633 10.059 1.00 41.22 N ATOM 0 H LYS A 75 -7.534 -7.723 2.689 1.00 15.42 H new ATOM 0 HA LYS A 75 -8.331 -5.176 3.530 1.00 11.13 H new ATOM 0 HB2 LYS A 75 -8.764 -7.223 4.829 1.00 35.24 H new ATOM 0 HB3 LYS A 75 -7.048 -7.478 5.070 1.00 35.24 H new ATOM 0 HG2 LYS A 75 -6.993 -5.209 6.291 1.00 4.23 H new ATOM 0 HG3 LYS A 75 -8.744 -5.211 6.216 1.00 4.23 H new ATOM 0 HD2 LYS A 75 -8.842 -7.284 7.565 1.00 53.24 H new ATOM 0 HD3 LYS A 75 -7.094 -7.409 7.557 1.00 53.24 H new ATOM 0 HE2 LYS A 75 -6.995 -5.155 8.746 1.00 44.52 H new ATOM 0 HE3 LYS A 75 -8.742 -5.195 8.869 1.00 44.52 H new ATOM 0 HZ1 LYS A 75 -7.703 -6.000 10.883 1.00 41.22 H new ATOM 0 HZ2 LYS A 75 -8.578 -7.252 10.142 1.00 41.22 H new ATOM 0 HZ3 LYS A 75 -6.885 -7.214 10.023 1.00 41.22 H new ATOM 1251 N TRP A 76 -5.067 -5.825 3.709 1.00 74.52 N ATOM 1252 CA TRP A 76 -3.707 -5.286 3.876 1.00 31.21 C ATOM 1253 C TRP A 76 -3.461 -4.118 2.921 1.00 25.10 C ATOM 1254 O TRP A 76 -2.947 -3.089 3.335 1.00 40.21 O ATOM 1255 CB TRP A 76 -2.654 -6.404 3.641 1.00 44.14 C ATOM 1256 CG TRP A 76 -1.220 -5.932 3.733 1.00 2.41 C ATOM 1257 CD1 TRP A 76 -0.488 -5.741 4.869 1.00 23.12 C ATOM 1258 CD2 TRP A 76 -0.360 -5.558 2.639 1.00 52.33 C ATOM 1259 NE1 TRP A 76 0.764 -5.286 4.547 1.00 30.45 N ATOM 1260 CE2 TRP A 76 0.864 -5.157 3.192 1.00 11.54 C ATOM 1261 CE3 TRP A 76 -0.518 -5.516 1.246 1.00 55.04 C ATOM 1262 CZ2 TRP A 76 1.932 -4.735 2.413 1.00 74.32 C ATOM 1263 CZ3 TRP A 76 0.542 -5.094 0.468 1.00 30.15 C ATOM 1264 CH2 TRP A 76 1.752 -4.700 1.053 1.00 64.25 C ATOM 0 H TRP A 76 -5.077 -6.813 3.457 1.00 74.52 H new ATOM 0 HA TRP A 76 -3.609 -4.917 4.897 1.00 31.21 H new ATOM 0 HB2 TRP A 76 -2.812 -7.196 4.373 1.00 44.14 H new ATOM 0 HB3 TRP A 76 -2.819 -6.842 2.656 1.00 44.14 H new ATOM 0 HD1 TRP A 76 -0.843 -5.922 5.873 1.00 23.12 H new ATOM 0 HE1 TRP A 76 1.505 -5.076 5.216 1.00 30.45 H new ATOM 0 HE3 TRP A 76 -1.452 -5.809 0.790 1.00 55.04 H new ATOM 0 HZ2 TRP A 76 2.871 -4.445 2.861 1.00 74.32 H new ATOM 0 HZ3 TRP A 76 0.436 -5.067 -0.607 1.00 30.15 H new ATOM 0 HH2 TRP A 76 2.560 -4.362 0.421 1.00 64.25 H new ATOM 1275 N ALA A 77 -3.839 -4.305 1.644 1.00 72.30 N ATOM 1276 CA ALA A 77 -3.700 -3.275 0.608 1.00 41.41 C ATOM 1277 C ALA A 77 -4.479 -1.999 0.989 1.00 40.02 C ATOM 1278 O ALA A 77 -4.017 -0.885 0.753 1.00 64.14 O ATOM 1279 CB ALA A 77 -4.183 -3.820 -0.739 1.00 23.55 C ATOM 0 H ALA A 77 -4.249 -5.175 1.305 1.00 72.30 H new ATOM 0 HA ALA A 77 -2.646 -3.009 0.524 1.00 41.41 H new ATOM 0 HB1 ALA A 77 -4.077 -3.049 -1.503 1.00 23.55 H new ATOM 0 HB2 ALA A 77 -3.586 -4.689 -1.015 1.00 23.55 H new ATOM 0 HB3 ALA A 77 -5.231 -4.110 -0.660 1.00 23.55 H new ATOM 1285 N LEU A 78 -5.662 -2.196 1.597 1.00 52.41 N ATOM 1286 CA LEU A 78 -6.493 -1.099 2.103 1.00 23.53 C ATOM 1287 C LEU A 78 -5.877 -0.486 3.375 1.00 2.32 C ATOM 1288 O LEU A 78 -5.945 0.718 3.558 1.00 20.12 O ATOM 1289 CB LEU A 78 -7.940 -1.590 2.375 1.00 41.21 C ATOM 1290 CG LEU A 78 -8.712 -2.172 1.146 1.00 50.10 C ATOM 1291 CD1 LEU A 78 -10.133 -2.613 1.548 1.00 72.20 C ATOM 1292 CD2 LEU A 78 -8.747 -1.167 -0.029 1.00 62.35 C ATOM 0 H LEU A 78 -6.065 -3.121 1.749 1.00 52.41 H new ATOM 0 HA LEU A 78 -6.533 -0.323 1.339 1.00 23.53 H new ATOM 0 HB2 LEU A 78 -7.902 -2.355 3.150 1.00 41.21 H new ATOM 0 HB3 LEU A 78 -8.515 -0.756 2.778 1.00 41.21 H new ATOM 0 HG LEU A 78 -8.172 -3.054 0.802 1.00 50.10 H new ATOM 0 HD11 LEU A 78 -10.650 -3.014 0.676 1.00 72.20 H new ATOM 0 HD12 LEU A 78 -10.071 -3.381 2.319 1.00 72.20 H new ATOM 0 HD13 LEU A 78 -10.684 -1.756 1.934 1.00 72.20 H new ATOM 0 HD21 LEU A 78 -9.291 -1.605 -0.866 1.00 62.35 H new ATOM 0 HD22 LEU A 78 -9.246 -0.252 0.290 1.00 62.35 H new ATOM 0 HD23 LEU A 78 -7.728 -0.935 -0.340 1.00 62.35 H new ATOM 1304 N GLU A 79 -5.252 -1.319 4.231 1.00 51.53 N ATOM 1305 CA GLU A 79 -4.627 -0.856 5.488 1.00 1.30 C ATOM 1306 C GLU A 79 -3.380 -0.013 5.196 1.00 31.40 C ATOM 1307 O GLU A 79 -3.080 0.907 5.941 1.00 40.00 O ATOM 1308 CB GLU A 79 -4.272 -2.044 6.431 1.00 40.22 C ATOM 1309 CG GLU A 79 -5.482 -2.854 6.948 1.00 65.01 C ATOM 1310 CD GLU A 79 -6.497 -2.021 7.756 1.00 1.54 C ATOM 1311 OE1 GLU A 79 -7.375 -1.373 7.147 1.00 34.44 O ATOM 1312 OE2 GLU A 79 -6.426 -2.011 9.004 1.00 20.32 O ATOM 0 H GLU A 79 -5.166 -2.323 4.073 1.00 51.53 H new ATOM 0 HA GLU A 79 -5.359 -0.234 6.003 1.00 1.30 H new ATOM 0 HB2 GLU A 79 -3.601 -2.720 5.901 1.00 40.22 H new ATOM 0 HB3 GLU A 79 -3.722 -1.656 7.288 1.00 40.22 H new ATOM 0 HG2 GLU A 79 -5.993 -3.306 6.098 1.00 65.01 H new ATOM 0 HG3 GLU A 79 -5.119 -3.671 7.572 1.00 65.01 H new ATOM 1319 N VAL A 80 -2.676 -0.341 4.095 1.00 61.42 N ATOM 1320 CA VAL A 80 -1.550 0.452 3.586 1.00 13.10 C ATOM 1321 C VAL A 80 -2.059 1.847 3.180 1.00 52.23 C ATOM 1322 O VAL A 80 -1.469 2.863 3.541 1.00 34.04 O ATOM 1323 CB VAL A 80 -0.870 -0.262 2.357 1.00 12.43 C ATOM 1324 CG1 VAL A 80 0.165 0.644 1.673 1.00 60.14 C ATOM 1325 CG2 VAL A 80 -0.213 -1.600 2.760 1.00 51.43 C ATOM 0 H VAL A 80 -2.877 -1.169 3.534 1.00 61.42 H new ATOM 0 HA VAL A 80 -0.800 0.550 4.371 1.00 13.10 H new ATOM 0 HB VAL A 80 -1.668 -0.473 1.645 1.00 12.43 H new ATOM 0 HG11 VAL A 80 0.611 0.115 0.831 1.00 60.14 H new ATOM 0 HG12 VAL A 80 -0.324 1.550 1.315 1.00 60.14 H new ATOM 0 HG13 VAL A 80 0.944 0.911 2.388 1.00 60.14 H new ATOM 0 HG21 VAL A 80 0.244 -2.059 1.884 1.00 51.43 H new ATOM 0 HG22 VAL A 80 0.552 -1.417 3.514 1.00 51.43 H new ATOM 0 HG23 VAL A 80 -0.971 -2.269 3.167 1.00 51.43 H new ATOM 1335 N ALA A 81 -3.193 1.852 2.457 1.00 50.25 N ATOM 1336 CA ALA A 81 -3.877 3.074 2.020 1.00 74.00 C ATOM 1337 C ALA A 81 -4.323 3.932 3.219 1.00 44.21 C ATOM 1338 O ALA A 81 -4.112 5.141 3.217 1.00 12.31 O ATOM 1339 CB ALA A 81 -5.072 2.704 1.139 1.00 34.11 C ATOM 0 H ALA A 81 -3.662 0.997 2.159 1.00 50.25 H new ATOM 0 HA ALA A 81 -3.176 3.674 1.440 1.00 74.00 H new ATOM 0 HB1 ALA A 81 -5.580 3.612 0.815 1.00 34.11 H new ATOM 0 HB2 ALA A 81 -4.723 2.152 0.266 1.00 34.11 H new ATOM 0 HB3 ALA A 81 -5.765 2.084 1.708 1.00 34.11 H new ATOM 1345 N ASN A 82 -4.894 3.271 4.250 1.00 54.23 N ATOM 1346 CA ASN A 82 -5.361 3.929 5.487 1.00 52.01 C ATOM 1347 C ASN A 82 -4.169 4.421 6.330 1.00 14.42 C ATOM 1348 O ASN A 82 -4.293 5.402 7.066 1.00 52.22 O ATOM 1349 CB ASN A 82 -6.241 2.965 6.350 1.00 24.31 C ATOM 1350 CG ASN A 82 -7.685 2.784 5.847 1.00 31.12 C ATOM 1351 OD1 ASN A 82 -8.566 3.578 6.169 1.00 54.34 O ATOM 1352 ND2 ASN A 82 -7.964 1.718 5.126 1.00 40.10 N ATOM 0 H ASN A 82 -5.044 2.262 4.246 1.00 54.23 H new ATOM 0 HA ASN A 82 -5.968 4.783 5.187 1.00 52.01 H new ATOM 0 HB2 ASN A 82 -5.758 1.988 6.385 1.00 24.31 H new ATOM 0 HB3 ASN A 82 -6.272 3.342 7.372 1.00 24.31 H new ATOM 0 HD21 ASN A 82 -8.923 1.542 4.826 1.00 40.10 H new ATOM 0 HD22 ASN A 82 -7.221 1.069 4.867 1.00 40.10 H new ATOM 1359 N LYS A 83 -3.030 3.710 6.226 1.00 33.12 N ATOM 1360 CA LYS A 83 -1.806 4.028 6.979 1.00 3.21 C ATOM 1361 C LYS A 83 -1.160 5.317 6.455 1.00 73.04 C ATOM 1362 O LYS A 83 -0.940 6.253 7.223 1.00 71.12 O ATOM 1363 CB LYS A 83 -0.799 2.818 6.924 1.00 24.42 C ATOM 1364 CG LYS A 83 -0.877 1.834 8.141 1.00 41.13 C ATOM 1365 CD LYS A 83 0.164 2.151 9.257 1.00 44.55 C ATOM 1366 CE LYS A 83 0.117 3.608 9.752 1.00 14.51 C ATOM 1367 NZ LYS A 83 1.175 3.913 10.742 1.00 52.45 N ATOM 0 H LYS A 83 -2.935 2.898 5.616 1.00 33.12 H new ATOM 0 HA LYS A 83 -2.075 4.197 8.022 1.00 3.21 H new ATOM 0 HB2 LYS A 83 -0.981 2.255 6.009 1.00 24.42 H new ATOM 0 HB3 LYS A 83 0.215 3.212 6.859 1.00 24.42 H new ATOM 0 HG2 LYS A 83 -1.879 1.873 8.567 1.00 41.13 H new ATOM 0 HG3 LYS A 83 -0.721 0.815 7.786 1.00 41.13 H new ATOM 0 HD2 LYS A 83 -0.008 1.484 10.102 1.00 44.55 H new ATOM 0 HD3 LYS A 83 1.164 1.937 8.880 1.00 44.55 H new ATOM 0 HE2 LYS A 83 0.219 4.280 8.900 1.00 14.51 H new ATOM 0 HE3 LYS A 83 -0.858 3.804 10.197 1.00 14.51 H new ATOM 0 HZ1 LYS A 83 1.333 4.940 10.776 1.00 52.45 H new ATOM 0 HZ2 LYS A 83 0.879 3.577 11.681 1.00 52.45 H new ATOM 0 HZ3 LYS A 83 2.057 3.436 10.466 1.00 52.45 H new ATOM 1381 N ILE A 84 -0.922 5.359 5.136 1.00 55.04 N ATOM 1382 CA ILE A 84 -0.305 6.512 4.456 1.00 22.12 C ATOM 1383 C ILE A 84 -1.255 7.737 4.530 1.00 64.32 C ATOM 1384 O ILE A 84 -0.808 8.880 4.686 1.00 14.41 O ATOM 1385 CB ILE A 84 0.040 6.154 2.957 1.00 62.50 C ATOM 1386 CG1 ILE A 84 0.921 4.862 2.874 1.00 73.43 C ATOM 1387 CG2 ILE A 84 0.753 7.327 2.250 1.00 5.41 C ATOM 1388 CD1 ILE A 84 1.004 4.243 1.484 1.00 24.33 C ATOM 0 H ILE A 84 -1.153 4.591 4.506 1.00 55.04 H new ATOM 0 HA ILE A 84 0.627 6.764 4.961 1.00 22.12 H new ATOM 0 HB ILE A 84 -0.903 5.965 2.444 1.00 62.50 H new ATOM 0 HG12 ILE A 84 1.929 5.102 3.212 1.00 73.43 H new ATOM 0 HG13 ILE A 84 0.522 4.120 3.565 1.00 73.43 H new ATOM 0 HG21 ILE A 84 0.977 7.049 1.220 1.00 5.41 H new ATOM 0 HG22 ILE A 84 0.105 8.204 2.257 1.00 5.41 H new ATOM 0 HG23 ILE A 84 1.681 7.558 2.774 1.00 5.41 H new ATOM 0 HD11 ILE A 84 1.633 3.354 1.519 1.00 24.33 H new ATOM 0 HD12 ILE A 84 0.004 3.967 1.148 1.00 24.33 H new ATOM 0 HD13 ILE A 84 1.434 4.965 0.789 1.00 24.33 H new ATOM 1400 N ALA A 85 -2.580 7.456 4.460 1.00 54.43 N ATOM 1401 CA ALA A 85 -3.638 8.467 4.655 1.00 22.31 C ATOM 1402 C ALA A 85 -3.553 9.085 6.064 1.00 60.31 C ATOM 1403 O ALA A 85 -3.639 10.303 6.222 1.00 13.24 O ATOM 1404 CB ALA A 85 -5.024 7.845 4.434 1.00 45.24 C ATOM 0 H ALA A 85 -2.940 6.522 4.267 1.00 54.43 H new ATOM 0 HA ALA A 85 -3.487 9.259 3.921 1.00 22.31 H new ATOM 0 HB1 ALA A 85 -5.792 8.605 4.582 1.00 45.24 H new ATOM 0 HB2 ALA A 85 -5.090 7.455 3.418 1.00 45.24 H new ATOM 0 HB3 ALA A 85 -5.176 7.033 5.145 1.00 45.24 H new ATOM 1410 N ASN A 86 -3.342 8.212 7.069 1.00 41.01 N ATOM 1411 CA ASN A 86 -3.257 8.599 8.491 1.00 61.11 C ATOM 1412 C ASN A 86 -2.029 9.484 8.746 1.00 33.40 C ATOM 1413 O ASN A 86 -2.154 10.536 9.383 1.00 63.34 O ATOM 1414 CB ASN A 86 -3.202 7.335 9.394 1.00 54.42 C ATOM 1415 CG ASN A 86 -3.066 7.635 10.898 1.00 2.10 C ATOM 1416 OD1 ASN A 86 -3.578 8.634 11.409 1.00 65.43 O ATOM 1417 ND2 ASN A 86 -2.371 6.771 11.616 1.00 12.53 N ATOM 0 H ASN A 86 -3.225 7.210 6.915 1.00 41.01 H new ATOM 0 HA ASN A 86 -4.150 9.172 8.739 1.00 61.11 H new ATOM 0 HB2 ASN A 86 -4.106 6.748 9.233 1.00 54.42 H new ATOM 0 HB3 ASN A 86 -2.361 6.716 9.082 1.00 54.42 H new ATOM 0 HD21 ASN A 86 -2.248 6.922 12.617 1.00 12.53 H new ATOM 0 HD22 ASN A 86 -1.958 5.952 11.169 1.00 12.53 H new ATOM 1424 N GLU A 87 -0.859 9.060 8.216 1.00 34.40 N ATOM 1425 CA GLU A 87 0.429 9.741 8.470 1.00 61.10 C ATOM 1426 C GLU A 87 0.370 11.214 8.037 1.00 73.52 C ATOM 1427 O GLU A 87 0.790 12.109 8.776 1.00 14.04 O ATOM 1428 CB GLU A 87 1.608 9.037 7.738 1.00 33.33 C ATOM 1429 CG GLU A 87 1.786 7.541 8.062 1.00 33.50 C ATOM 1430 CD GLU A 87 1.820 7.238 9.570 1.00 53.20 C ATOM 1431 OE1 GLU A 87 2.865 7.485 10.218 1.00 20.42 O ATOM 1432 OE2 GLU A 87 0.797 6.774 10.122 1.00 3.01 O ATOM 0 H GLU A 87 -0.782 8.245 7.607 1.00 34.40 H new ATOM 0 HA GLU A 87 0.605 9.688 9.544 1.00 61.10 H new ATOM 0 HB2 GLU A 87 1.462 9.144 6.663 1.00 33.33 H new ATOM 0 HB3 GLU A 87 2.532 9.558 7.988 1.00 33.33 H new ATOM 0 HG2 GLU A 87 0.971 6.979 7.605 1.00 33.50 H new ATOM 0 HG3 GLU A 87 2.711 7.187 7.608 1.00 33.50 H new ATOM 1439 N LEU A 88 -0.180 11.441 6.832 1.00 43.45 N ATOM 1440 CA LEU A 88 -0.252 12.779 6.215 1.00 10.41 C ATOM 1441 C LEU A 88 -1.575 13.497 6.534 1.00 11.13 C ATOM 1442 O LEU A 88 -1.716 14.677 6.221 1.00 32.41 O ATOM 1443 CB LEU A 88 -0.036 12.680 4.674 1.00 72.23 C ATOM 1444 CG LEU A 88 1.408 12.294 4.189 1.00 54.33 C ATOM 1445 CD1 LEU A 88 2.496 13.178 4.844 1.00 41.33 C ATOM 1446 CD2 LEU A 88 1.718 10.788 4.365 1.00 34.44 C ATOM 0 H LEU A 88 -0.587 10.703 6.257 1.00 43.45 H new ATOM 0 HA LEU A 88 0.549 13.379 6.647 1.00 10.41 H new ATOM 0 HB2 LEU A 88 -0.736 11.944 4.278 1.00 72.23 H new ATOM 0 HB3 LEU A 88 -0.299 13.641 4.231 1.00 72.23 H new ATOM 0 HG LEU A 88 1.428 12.492 3.117 1.00 54.33 H new ATOM 0 HD11 LEU A 88 3.478 12.876 4.480 1.00 41.33 H new ATOM 0 HD12 LEU A 88 2.319 14.223 4.587 1.00 41.33 H new ATOM 0 HD13 LEU A 88 2.458 13.059 5.927 1.00 41.33 H new ATOM 0 HD21 LEU A 88 2.729 10.581 4.013 1.00 34.44 H new ATOM 0 HD22 LEU A 88 1.639 10.521 5.419 1.00 34.44 H new ATOM 0 HD23 LEU A 88 1.005 10.200 3.787 1.00 34.44 H new ATOM 1458 N GLY A 89 -2.526 12.786 7.158 1.00 1.12 N ATOM 1459 CA GLY A 89 -3.841 13.350 7.471 1.00 22.51 C ATOM 1460 C GLY A 89 -4.705 13.575 6.223 1.00 30.30 C ATOM 1461 O GLY A 89 -5.601 14.422 6.218 1.00 70.23 O ATOM 0 H GLY A 89 -2.405 11.818 7.455 1.00 1.12 H new ATOM 0 HA2 GLY A 89 -4.365 12.681 8.154 1.00 22.51 H new ATOM 0 HA3 GLY A 89 -3.710 14.298 7.992 1.00 22.51 H new ATOM 1465 N ALA A 90 -4.410 12.806 5.159 1.00 64.42 N ATOM 1466 CA ALA A 90 -5.145 12.842 3.885 1.00 33.31 C ATOM 1467 C ALA A 90 -6.206 11.734 3.860 1.00 44.42 C ATOM 1468 O ALA A 90 -6.331 10.961 4.818 1.00 74.11 O ATOM 1469 CB ALA A 90 -4.160 12.681 2.713 1.00 42.30 C ATOM 0 H ALA A 90 -3.643 12.133 5.162 1.00 64.42 H new ATOM 0 HA ALA A 90 -5.650 13.803 3.785 1.00 33.31 H new ATOM 0 HB1 ALA A 90 -4.708 12.708 1.771 1.00 42.30 H new ATOM 0 HB2 ALA A 90 -3.434 13.493 2.734 1.00 42.30 H new ATOM 0 HB3 ALA A 90 -3.640 11.727 2.803 1.00 42.30 H new ATOM 1475 N LYS A 91 -6.955 11.656 2.755 1.00 20.22 N ATOM 1476 CA LYS A 91 -8.003 10.641 2.579 1.00 44.15 C ATOM 1477 C LYS A 91 -7.411 9.319 2.066 1.00 34.31 C ATOM 1478 O LYS A 91 -6.225 9.241 1.711 1.00 45.33 O ATOM 1479 CB LYS A 91 -9.101 11.163 1.622 1.00 52.44 C ATOM 1480 CG LYS A 91 -8.623 11.470 0.185 1.00 74.31 C ATOM 1481 CD LYS A 91 -9.762 12.017 -0.707 1.00 62.14 C ATOM 1482 CE LYS A 91 -10.382 13.316 -0.157 1.00 3.43 C ATOM 1483 NZ LYS A 91 -11.446 13.847 -1.051 1.00 3.43 N ATOM 0 H LYS A 91 -6.854 12.289 1.962 1.00 20.22 H new ATOM 0 HA LYS A 91 -8.457 10.445 3.551 1.00 44.15 H new ATOM 0 HB2 LYS A 91 -9.900 10.424 1.573 1.00 52.44 H new ATOM 0 HB3 LYS A 91 -9.531 12.070 2.047 1.00 52.44 H new ATOM 0 HG2 LYS A 91 -7.812 12.197 0.222 1.00 74.31 H new ATOM 0 HG3 LYS A 91 -8.218 10.563 -0.263 1.00 74.31 H new ATOM 0 HD2 LYS A 91 -9.375 12.201 -1.709 1.00 62.14 H new ATOM 0 HD3 LYS A 91 -10.540 11.259 -0.799 1.00 62.14 H new ATOM 0 HE2 LYS A 91 -10.800 13.128 0.832 1.00 3.43 H new ATOM 0 HE3 LYS A 91 -9.602 14.067 -0.036 1.00 3.43 H new ATOM 0 HZ1 LYS A 91 -11.917 14.651 -0.590 1.00 3.43 H new ATOM 0 HZ2 LYS A 91 -11.022 14.161 -1.947 1.00 3.43 H new ATOM 0 HZ3 LYS A 91 -12.144 13.100 -1.242 1.00 3.43 H new ATOM 1497 N GLN A 92 -8.274 8.292 2.027 1.00 52.52 N ATOM 1498 CA GLN A 92 -7.919 6.920 1.621 1.00 43.11 C ATOM 1499 C GLN A 92 -7.845 6.794 0.075 1.00 64.23 C ATOM 1500 O GLN A 92 -7.484 7.750 -0.621 1.00 24.54 O ATOM 1501 CB GLN A 92 -8.925 5.902 2.265 1.00 70.15 C ATOM 1502 CG GLN A 92 -8.712 5.645 3.778 1.00 13.33 C ATOM 1503 CD GLN A 92 -8.950 6.847 4.699 1.00 34.34 C ATOM 1504 OE1 GLN A 92 -8.279 7.002 5.729 1.00 3.13 O ATOM 1505 NE2 GLN A 92 -9.947 7.667 4.396 1.00 33.52 N ATOM 0 H GLN A 92 -9.257 8.392 2.281 1.00 52.52 H new ATOM 0 HA GLN A 92 -6.922 6.680 1.991 1.00 43.11 H new ATOM 0 HB2 GLN A 92 -9.940 6.270 2.113 1.00 70.15 H new ATOM 0 HB3 GLN A 92 -8.848 4.952 1.735 1.00 70.15 H new ATOM 0 HG2 GLN A 92 -9.376 4.837 4.087 1.00 13.33 H new ATOM 0 HG3 GLN A 92 -7.691 5.293 3.927 1.00 13.33 H new ATOM 0 HE21 GLN A 92 -10.486 7.521 3.543 1.00 33.52 H new ATOM 0 HE22 GLN A 92 -10.175 8.444 5.016 1.00 33.52 H new ATOM 1514 N SER A 93 -8.180 5.609 -0.455 1.00 22.34 N ATOM 1515 CA SER A 93 -7.864 5.228 -1.825 1.00 32.10 C ATOM 1516 C SER A 93 -9.104 4.807 -2.617 1.00 71.30 C ATOM 1517 O SER A 93 -10.082 4.297 -2.054 1.00 2.15 O ATOM 1518 CB SER A 93 -6.900 4.044 -1.753 1.00 54.13 C ATOM 1519 OG SER A 93 -7.454 2.995 -0.968 1.00 35.35 O ATOM 0 H SER A 93 -8.681 4.888 0.064 1.00 22.34 H new ATOM 0 HA SER A 93 -7.432 6.087 -2.338 1.00 32.10 H new ATOM 0 HB2 SER A 93 -6.687 3.680 -2.758 1.00 54.13 H new ATOM 0 HB3 SER A 93 -5.952 4.366 -1.323 1.00 54.13 H new ATOM 0 HG SER A 93 -8.096 2.487 -1.507 1.00 35.35 H new ATOM 1525 N THR A 94 -9.022 4.999 -3.935 1.00 13.44 N ATOM 1526 CA THR A 94 -9.940 4.399 -4.903 1.00 21.13 C ATOM 1527 C THR A 94 -9.275 3.136 -5.471 1.00 74.44 C ATOM 1528 O THR A 94 -8.103 3.175 -5.859 1.00 72.44 O ATOM 1529 CB THR A 94 -10.278 5.409 -6.047 1.00 64.10 C ATOM 1530 OG1 THR A 94 -9.071 6.015 -6.535 1.00 32.13 O ATOM 1531 CG2 THR A 94 -11.240 6.505 -5.570 1.00 61.12 C ATOM 0 H THR A 94 -8.306 5.584 -4.365 1.00 13.44 H new ATOM 0 HA THR A 94 -10.879 4.139 -4.414 1.00 21.13 H new ATOM 0 HB THR A 94 -10.767 4.852 -6.846 1.00 64.10 H new ATOM 0 HG1 THR A 94 -9.289 6.646 -7.253 1.00 32.13 H new ATOM 0 HG21 THR A 94 -11.451 7.187 -6.393 1.00 61.12 H new ATOM 0 HG22 THR A 94 -12.170 6.050 -5.229 1.00 61.12 H new ATOM 0 HG23 THR A 94 -10.784 7.057 -4.749 1.00 61.12 H new ATOM 1539 N THR A 95 -10.014 2.015 -5.501 1.00 62.43 N ATOM 1540 CA THR A 95 -9.468 0.708 -5.918 1.00 1.33 C ATOM 1541 C THR A 95 -9.966 0.322 -7.328 1.00 55.43 C ATOM 1542 O THR A 95 -11.132 0.531 -7.670 1.00 54.13 O ATOM 1543 CB THR A 95 -9.821 -0.416 -4.875 1.00 42.20 C ATOM 1544 OG1 THR A 95 -9.258 -1.672 -5.280 1.00 61.14 O ATOM 1545 CG2 THR A 95 -11.341 -0.580 -4.651 1.00 13.24 C ATOM 0 H THR A 95 -10.999 1.986 -5.240 1.00 62.43 H new ATOM 0 HA THR A 95 -8.383 0.802 -5.956 1.00 1.33 H new ATOM 0 HB THR A 95 -9.386 -0.099 -3.927 1.00 42.20 H new ATOM 0 HG1 THR A 95 -9.504 -2.365 -4.632 1.00 61.14 H new ATOM 0 HG21 THR A 95 -11.518 -1.370 -3.921 1.00 13.24 H new ATOM 0 HG22 THR A 95 -11.757 0.357 -4.280 1.00 13.24 H new ATOM 0 HG23 THR A 95 -11.821 -0.842 -5.594 1.00 13.24 H new ATOM 1553 N THR A 96 -9.032 -0.171 -8.156 1.00 53.15 N ATOM 1554 CA THR A 96 -9.322 -0.812 -9.438 1.00 33.01 C ATOM 1555 C THR A 96 -9.247 -2.341 -9.261 1.00 45.31 C ATOM 1556 O THR A 96 -8.169 -2.891 -8.991 1.00 65.10 O ATOM 1557 CB THR A 96 -8.293 -0.348 -10.519 1.00 62.32 C ATOM 1558 OG1 THR A 96 -8.350 1.083 -10.652 1.00 31.31 O ATOM 1559 CG2 THR A 96 -8.545 -1.006 -11.890 1.00 2.44 C ATOM 0 H THR A 96 -8.035 -0.132 -7.944 1.00 53.15 H new ATOM 0 HA THR A 96 -10.321 -0.528 -9.769 1.00 33.01 H new ATOM 0 HB THR A 96 -7.303 -0.660 -10.186 1.00 62.32 H new ATOM 0 HG1 THR A 96 -7.704 1.375 -11.328 1.00 31.31 H new ATOM 0 HG21 THR A 96 -7.804 -0.651 -12.606 1.00 2.44 H new ATOM 0 HG22 THR A 96 -8.467 -2.089 -11.794 1.00 2.44 H new ATOM 0 HG23 THR A 96 -9.543 -0.744 -12.241 1.00 2.44 H new ATOM 1567 N THR A 97 -10.391 -3.026 -9.400 1.00 50.34 N ATOM 1568 CA THR A 97 -10.453 -4.490 -9.283 1.00 3.44 C ATOM 1569 C THR A 97 -10.325 -5.147 -10.678 1.00 63.51 C ATOM 1570 O THR A 97 -11.195 -4.998 -11.544 1.00 31.15 O ATOM 1571 CB THR A 97 -11.751 -4.980 -8.544 1.00 33.33 C ATOM 1572 OG1 THR A 97 -11.854 -6.408 -8.636 1.00 11.14 O ATOM 1573 CG2 THR A 97 -13.043 -4.333 -9.077 1.00 20.32 C ATOM 0 H THR A 97 -11.291 -2.587 -9.595 1.00 50.34 H new ATOM 0 HA THR A 97 -9.609 -4.803 -8.668 1.00 3.44 H new ATOM 0 HB THR A 97 -11.651 -4.669 -7.504 1.00 33.33 H new ATOM 0 HG1 THR A 97 -12.664 -6.708 -8.173 1.00 11.14 H new ATOM 0 HG21 THR A 97 -13.898 -4.717 -8.521 1.00 20.32 H new ATOM 0 HG22 THR A 97 -12.986 -3.252 -8.953 1.00 20.32 H new ATOM 0 HG23 THR A 97 -13.160 -4.572 -10.134 1.00 20.32 H new ATOM 1581 N ASP A 98 -9.202 -5.850 -10.885 1.00 25.32 N ATOM 1582 CA ASP A 98 -8.909 -6.589 -12.137 1.00 61.43 C ATOM 1583 C ASP A 98 -9.315 -8.078 -11.993 1.00 62.31 C ATOM 1584 O ASP A 98 -9.523 -8.779 -12.992 1.00 43.35 O ATOM 1585 CB ASP A 98 -7.399 -6.411 -12.484 1.00 60.44 C ATOM 1586 CG ASP A 98 -6.907 -7.218 -13.702 1.00 41.41 C ATOM 1587 OD1 ASP A 98 -7.300 -6.900 -14.846 1.00 35.53 O ATOM 1588 OD2 ASP A 98 -6.095 -8.154 -13.528 1.00 22.41 O ATOM 0 H ASP A 98 -8.462 -5.927 -10.188 1.00 25.32 H new ATOM 0 HA ASP A 98 -9.497 -6.187 -12.962 1.00 61.43 H new ATOM 0 HB2 ASP A 98 -7.207 -5.354 -12.667 1.00 60.44 H new ATOM 0 HB3 ASP A 98 -6.807 -6.697 -11.615 1.00 60.44 H new ATOM 1593 N GLY A 99 -9.462 -8.540 -10.732 1.00 22.42 N ATOM 1594 CA GLY A 99 -9.827 -9.930 -10.431 1.00 32.52 C ATOM 1595 C GLY A 99 -8.591 -10.811 -10.356 1.00 20.25 C ATOM 1596 O GLY A 99 -8.297 -11.409 -9.309 1.00 23.13 O ATOM 0 H GLY A 99 -9.331 -7.960 -9.904 1.00 22.42 H new ATOM 0 HA2 GLY A 99 -10.366 -9.972 -9.485 1.00 32.52 H new ATOM 0 HA3 GLY A 99 -10.502 -10.308 -11.199 1.00 32.52 H new ATOM 1600 N ASP A 100 -7.868 -10.891 -11.494 1.00 20.45 N ATOM 1601 CA ASP A 100 -6.538 -11.517 -11.578 1.00 23.54 C ATOM 1602 C ASP A 100 -5.557 -10.754 -10.676 1.00 74.43 C ATOM 1603 O ASP A 100 -4.816 -11.342 -9.883 1.00 63.33 O ATOM 1604 CB ASP A 100 -6.051 -11.506 -13.050 1.00 15.02 C ATOM 1605 CG ASP A 100 -4.610 -12.023 -13.217 1.00 42.51 C ATOM 1606 OD1 ASP A 100 -4.412 -13.253 -13.218 1.00 73.32 O ATOM 1607 OD2 ASP A 100 -3.673 -11.208 -13.360 1.00 62.00 O ATOM 0 H ASP A 100 -8.197 -10.519 -12.385 1.00 20.45 H new ATOM 0 HA ASP A 100 -6.593 -12.551 -11.239 1.00 23.54 H new ATOM 0 HB2 ASP A 100 -6.722 -12.119 -13.652 1.00 15.02 H new ATOM 0 HB3 ASP A 100 -6.113 -10.489 -13.439 1.00 15.02 H new ATOM 1612 N THR A 101 -5.590 -9.425 -10.822 1.00 4.21 N ATOM 1613 CA THR A 101 -4.829 -8.481 -9.998 1.00 30.15 C ATOM 1614 C THR A 101 -5.823 -7.590 -9.210 1.00 12.05 C ATOM 1615 O THR A 101 -7.040 -7.615 -9.454 1.00 40.33 O ATOM 1616 CB THR A 101 -3.887 -7.608 -10.905 1.00 2.22 C ATOM 1617 OG1 THR A 101 -3.291 -8.448 -11.902 1.00 33.32 O ATOM 1618 CG2 THR A 101 -2.762 -6.907 -10.114 1.00 52.03 C ATOM 0 H THR A 101 -6.160 -8.966 -11.533 1.00 4.21 H new ATOM 0 HA THR A 101 -4.201 -9.025 -9.292 1.00 30.15 H new ATOM 0 HB THR A 101 -4.505 -6.829 -11.351 1.00 2.22 H new ATOM 0 HG1 THR A 101 -2.703 -7.911 -12.473 1.00 33.32 H new ATOM 0 HG21 THR A 101 -2.148 -6.321 -10.797 1.00 52.03 H new ATOM 0 HG22 THR A 101 -3.200 -6.248 -9.364 1.00 52.03 H new ATOM 0 HG23 THR A 101 -2.143 -7.656 -9.621 1.00 52.03 H new ATOM 1626 N PHE A 102 -5.300 -6.843 -8.244 1.00 30.53 N ATOM 1627 CA PHE A 102 -6.067 -5.894 -7.441 1.00 40.25 C ATOM 1628 C PHE A 102 -5.181 -4.676 -7.177 1.00 34.25 C ATOM 1629 O PHE A 102 -4.202 -4.768 -6.424 1.00 1.23 O ATOM 1630 CB PHE A 102 -6.507 -6.573 -6.124 1.00 1.30 C ATOM 1631 CG PHE A 102 -7.530 -5.807 -5.298 1.00 40.24 C ATOM 1632 CD1 PHE A 102 -8.815 -5.590 -5.797 1.00 33.52 C ATOM 1633 CD2 PHE A 102 -7.230 -5.349 -4.013 1.00 21.43 C ATOM 1634 CE1 PHE A 102 -9.758 -4.924 -5.044 1.00 33.45 C ATOM 1635 CE2 PHE A 102 -8.177 -4.688 -3.260 1.00 32.41 C ATOM 1636 CZ PHE A 102 -9.442 -4.482 -3.770 1.00 2.01 C ATOM 0 H PHE A 102 -4.312 -6.880 -7.991 1.00 30.53 H new ATOM 0 HA PHE A 102 -6.968 -5.573 -7.963 1.00 40.25 H new ATOM 0 HB2 PHE A 102 -6.920 -7.553 -6.362 1.00 1.30 H new ATOM 0 HB3 PHE A 102 -5.622 -6.740 -5.509 1.00 1.30 H new ATOM 0 HD1 PHE A 102 -9.073 -5.947 -6.783 1.00 33.52 H new ATOM 0 HD2 PHE A 102 -6.244 -5.515 -3.604 1.00 21.43 H new ATOM 0 HE1 PHE A 102 -10.744 -4.747 -5.448 1.00 33.45 H new ATOM 0 HE2 PHE A 102 -7.929 -4.332 -2.271 1.00 32.41 H new ATOM 0 HZ PHE A 102 -10.187 -3.975 -3.175 1.00 2.01 H new ATOM 1646 N GLU A 103 -5.514 -3.559 -7.828 1.00 32.23 N ATOM 1647 CA GLU A 103 -4.782 -2.298 -7.693 1.00 52.03 C ATOM 1648 C GLU A 103 -5.596 -1.349 -6.800 1.00 54.32 C ATOM 1649 O GLU A 103 -6.818 -1.288 -6.901 1.00 12.50 O ATOM 1650 CB GLU A 103 -4.506 -1.666 -9.084 1.00 34.32 C ATOM 1651 CG GLU A 103 -3.538 -0.465 -9.043 1.00 32.44 C ATOM 1652 CD GLU A 103 -3.356 0.206 -10.409 1.00 0.42 C ATOM 1653 OE1 GLU A 103 -4.138 1.120 -10.734 1.00 34.34 O ATOM 1654 OE2 GLU A 103 -2.435 -0.172 -11.168 1.00 1.33 O ATOM 0 H GLU A 103 -6.306 -3.504 -8.469 1.00 32.23 H new ATOM 0 HA GLU A 103 -3.813 -2.484 -7.230 1.00 52.03 H new ATOM 0 HB2 GLU A 103 -4.095 -2.430 -9.744 1.00 34.32 H new ATOM 0 HB3 GLU A 103 -5.452 -1.344 -9.520 1.00 34.32 H new ATOM 0 HG2 GLU A 103 -3.911 0.271 -8.330 1.00 32.44 H new ATOM 0 HG3 GLU A 103 -2.568 -0.800 -8.677 1.00 32.44 H new ATOM 1661 N VAL A 104 -4.902 -0.647 -5.897 1.00 52.15 N ATOM 1662 CA VAL A 104 -5.494 0.284 -4.938 1.00 5.13 C ATOM 1663 C VAL A 104 -4.659 1.575 -4.999 1.00 74.23 C ATOM 1664 O VAL A 104 -3.545 1.616 -4.484 1.00 21.34 O ATOM 1665 CB VAL A 104 -5.462 -0.333 -3.474 1.00 14.22 C ATOM 1666 CG1 VAL A 104 -6.117 0.610 -2.458 1.00 72.30 C ATOM 1667 CG2 VAL A 104 -6.122 -1.734 -3.428 1.00 34.33 C ATOM 0 H VAL A 104 -3.888 -0.715 -5.813 1.00 52.15 H new ATOM 0 HA VAL A 104 -6.537 0.485 -5.181 1.00 5.13 H new ATOM 0 HB VAL A 104 -4.414 -0.452 -3.199 1.00 14.22 H new ATOM 0 HG11 VAL A 104 -6.079 0.159 -1.466 1.00 72.30 H new ATOM 0 HG12 VAL A 104 -5.582 1.560 -2.446 1.00 72.30 H new ATOM 0 HG13 VAL A 104 -7.156 0.782 -2.739 1.00 72.30 H new ATOM 0 HG21 VAL A 104 -6.080 -2.123 -2.410 1.00 34.33 H new ATOM 0 HG22 VAL A 104 -7.162 -1.657 -3.745 1.00 34.33 H new ATOM 0 HG23 VAL A 104 -5.588 -2.410 -4.096 1.00 34.33 H new ATOM 1677 N GLU A 105 -5.188 2.627 -5.645 1.00 4.52 N ATOM 1678 CA GLU A 105 -4.459 3.898 -5.821 1.00 24.24 C ATOM 1679 C GLU A 105 -4.913 4.889 -4.751 1.00 73.35 C ATOM 1680 O GLU A 105 -6.099 5.228 -4.679 1.00 75.22 O ATOM 1681 CB GLU A 105 -4.678 4.484 -7.238 1.00 10.31 C ATOM 1682 CG GLU A 105 -3.927 5.814 -7.489 1.00 14.34 C ATOM 1683 CD GLU A 105 -4.017 6.310 -8.938 1.00 43.41 C ATOM 1684 OE1 GLU A 105 -3.302 5.771 -9.808 1.00 64.34 O ATOM 1685 OE2 GLU A 105 -4.800 7.238 -9.224 1.00 63.24 O ATOM 0 H GLU A 105 -6.121 2.624 -6.056 1.00 4.52 H new ATOM 0 HA GLU A 105 -3.391 3.708 -5.712 1.00 24.24 H new ATOM 0 HB2 GLU A 105 -4.356 3.751 -7.978 1.00 10.31 H new ATOM 0 HB3 GLU A 105 -5.745 4.645 -7.393 1.00 10.31 H new ATOM 0 HG2 GLU A 105 -4.331 6.580 -6.827 1.00 14.34 H new ATOM 0 HG3 GLU A 105 -2.878 5.684 -7.223 1.00 14.34 H new ATOM 1692 N VAL A 106 -3.961 5.348 -3.931 1.00 62.01 N ATOM 1693 CA VAL A 106 -4.200 6.270 -2.821 1.00 20.12 C ATOM 1694 C VAL A 106 -3.898 7.692 -3.303 1.00 63.42 C ATOM 1695 O VAL A 106 -2.724 8.054 -3.468 1.00 60.31 O ATOM 1696 CB VAL A 106 -3.266 5.921 -1.587 1.00 73.44 C ATOM 1697 CG1 VAL A 106 -3.787 6.563 -0.280 1.00 42.03 C ATOM 1698 CG2 VAL A 106 -3.080 4.391 -1.434 1.00 54.33 C ATOM 0 H VAL A 106 -2.981 5.081 -4.025 1.00 62.01 H new ATOM 0 HA VAL A 106 -5.237 6.185 -2.498 1.00 20.12 H new ATOM 0 HB VAL A 106 -2.285 6.351 -1.789 1.00 73.44 H new ATOM 0 HG11 VAL A 106 -3.122 6.302 0.544 1.00 42.03 H new ATOM 0 HG12 VAL A 106 -3.816 7.647 -0.394 1.00 42.03 H new ATOM 0 HG13 VAL A 106 -4.790 6.193 -0.068 1.00 42.03 H new ATOM 0 HG21 VAL A 106 -2.435 4.187 -0.579 1.00 54.33 H new ATOM 0 HG22 VAL A 106 -4.051 3.920 -1.277 1.00 54.33 H new ATOM 0 HG23 VAL A 106 -2.623 3.988 -2.338 1.00 54.33 H new ATOM 1708 N ILE A 107 -4.942 8.494 -3.547 1.00 31.41 N ATOM 1709 CA ILE A 107 -4.778 9.889 -3.964 1.00 2.32 C ATOM 1710 C ILE A 107 -4.781 10.752 -2.698 1.00 54.31 C ATOM 1711 O ILE A 107 -5.847 11.037 -2.124 1.00 70.52 O ATOM 1712 CB ILE A 107 -5.883 10.377 -4.993 1.00 32.25 C ATOM 1713 CG1 ILE A 107 -5.884 9.518 -6.320 1.00 13.44 C ATOM 1714 CG2 ILE A 107 -5.718 11.889 -5.323 1.00 3.41 C ATOM 1715 CD1 ILE A 107 -6.514 8.138 -6.210 1.00 54.41 C ATOM 0 H ILE A 107 -5.914 8.197 -3.462 1.00 31.41 H new ATOM 0 HA ILE A 107 -3.835 9.984 -4.502 1.00 2.32 H new ATOM 0 HB ILE A 107 -6.848 10.232 -4.508 1.00 32.25 H new ATOM 0 HG12 ILE A 107 -6.411 10.077 -7.093 1.00 13.44 H new ATOM 0 HG13 ILE A 107 -4.854 9.402 -6.657 1.00 13.44 H new ATOM 0 HG21 ILE A 107 -6.489 12.193 -6.030 1.00 3.41 H new ATOM 0 HG22 ILE A 107 -5.814 12.474 -4.408 1.00 3.41 H new ATOM 0 HG23 ILE A 107 -4.735 12.060 -5.762 1.00 3.41 H new ATOM 0 HD11 ILE A 107 -6.461 7.636 -7.176 1.00 54.41 H new ATOM 0 HD12 ILE A 107 -5.976 7.551 -5.466 1.00 54.41 H new ATOM 0 HD13 ILE A 107 -7.557 8.237 -5.909 1.00 54.41 H new ATOM 1727 N LEU A 108 -3.581 11.124 -2.239 1.00 13.42 N ATOM 1728 CA LEU A 108 -3.409 11.938 -1.040 1.00 65.11 C ATOM 1729 C LEU A 108 -3.612 13.411 -1.397 1.00 44.52 C ATOM 1730 O LEU A 108 -2.728 14.054 -1.983 1.00 11.14 O ATOM 1731 CB LEU A 108 -2.005 11.731 -0.434 1.00 64.23 C ATOM 1732 CG LEU A 108 -1.633 10.287 -0.017 1.00 64.42 C ATOM 1733 CD1 LEU A 108 -0.176 10.231 0.452 1.00 2.44 C ATOM 1734 CD2 LEU A 108 -2.592 9.744 1.066 1.00 10.52 C ATOM 0 H LEU A 108 -2.704 10.867 -2.692 1.00 13.42 H new ATOM 0 HA LEU A 108 -4.147 11.634 -0.298 1.00 65.11 H new ATOM 0 HB2 LEU A 108 -1.268 12.077 -1.158 1.00 64.23 H new ATOM 0 HB3 LEU A 108 -1.915 12.372 0.443 1.00 64.23 H new ATOM 0 HG LEU A 108 -1.740 9.643 -0.890 1.00 64.42 H new ATOM 0 HD11 LEU A 108 0.074 9.211 0.743 1.00 2.44 H new ATOM 0 HD12 LEU A 108 0.480 10.548 -0.359 1.00 2.44 H new ATOM 0 HD13 LEU A 108 -0.043 10.894 1.307 1.00 2.44 H new ATOM 0 HD21 LEU A 108 -2.301 8.728 1.334 1.00 10.52 H new ATOM 0 HD22 LEU A 108 -2.542 10.381 1.949 1.00 10.52 H new ATOM 0 HD23 LEU A 108 -3.611 9.739 0.680 1.00 10.52 H new ATOM 1746 N GLU A 109 -4.788 13.938 -1.067 1.00 63.10 N ATOM 1747 CA GLU A 109 -5.118 15.341 -1.298 1.00 61.12 C ATOM 1748 C GLU A 109 -4.798 16.151 -0.038 1.00 73.24 C ATOM 1749 O GLU A 109 -5.629 16.280 0.866 1.00 13.42 O ATOM 1750 CB GLU A 109 -6.599 15.492 -1.721 1.00 41.15 C ATOM 1751 CG GLU A 109 -6.963 14.701 -2.999 1.00 4.23 C ATOM 1752 CD GLU A 109 -8.357 15.026 -3.539 1.00 74.34 C ATOM 1753 OE1 GLU A 109 -9.352 14.472 -3.044 1.00 70.40 O ATOM 1754 OE2 GLU A 109 -8.480 15.869 -4.446 1.00 34.01 O ATOM 0 H GLU A 109 -5.540 13.404 -0.631 1.00 63.10 H new ATOM 0 HA GLU A 109 -4.513 15.729 -2.118 1.00 61.12 H new ATOM 0 HB2 GLU A 109 -7.237 15.158 -0.903 1.00 41.15 H new ATOM 0 HB3 GLU A 109 -6.816 16.548 -1.884 1.00 41.15 H new ATOM 0 HG2 GLU A 109 -6.224 14.913 -3.771 1.00 4.23 H new ATOM 0 HG3 GLU A 109 -6.904 13.634 -2.786 1.00 4.23 H new ATOM 1761 N LEU A 110 -3.541 16.599 0.047 1.00 64.45 N ATOM 1762 CA LEU A 110 -3.104 17.541 1.076 1.00 21.24 C ATOM 1763 C LEU A 110 -3.426 18.955 0.598 1.00 42.45 C ATOM 1764 O LEU A 110 -2.728 19.485 -0.283 1.00 2.44 O ATOM 1765 CB LEU A 110 -1.588 17.387 1.393 1.00 12.25 C ATOM 1766 CG LEU A 110 -1.159 16.054 2.096 1.00 75.35 C ATOM 1767 CD1 LEU A 110 -2.124 15.702 3.242 1.00 11.21 C ATOM 1768 CD2 LEU A 110 -1.011 14.884 1.097 1.00 22.35 C ATOM 0 H LEU A 110 -2.801 16.318 -0.596 1.00 64.45 H new ATOM 0 HA LEU A 110 -3.634 17.332 2.005 1.00 21.24 H new ATOM 0 HB2 LEU A 110 -1.032 17.476 0.460 1.00 12.25 H new ATOM 0 HB3 LEU A 110 -1.284 18.221 2.026 1.00 12.25 H new ATOM 0 HG LEU A 110 -0.171 16.220 2.526 1.00 75.35 H new ATOM 0 HD11 LEU A 110 -1.805 14.773 3.714 1.00 11.21 H new ATOM 0 HD12 LEU A 110 -2.120 16.504 3.980 1.00 11.21 H new ATOM 0 HD13 LEU A 110 -3.132 15.580 2.845 1.00 11.21 H new ATOM 0 HD21 LEU A 110 -0.712 13.983 1.633 1.00 22.35 H new ATOM 0 HD22 LEU A 110 -1.964 14.710 0.597 1.00 22.35 H new ATOM 0 HD23 LEU A 110 -0.252 15.133 0.355 1.00 22.35 H new