USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 577 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 39 THR OG1 : rot 180:sc= -0.466 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 19 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.2!) USER MOD Single : A 23 TYR OH : rot 178:sc= 0.00926 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.000236 X(o=-0.00024,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -54:sc= 0.173 USER MOD Single : A 47 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.8!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 74 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 6.851 -4.361 -2.844 1.00 52.41 N ATOM 26 CA THR A 3 8.146 -4.964 -3.128 1.00 65.14 C ATOM 27 C THR A 3 8.775 -5.539 -1.864 1.00 12.30 C ATOM 28 O THR A 3 8.406 -5.164 -0.751 1.00 15.33 O ATOM 29 CB THR A 3 9.117 -3.943 -3.752 1.00 30.30 C ATOM 30 OG1 THR A 3 10.388 -4.558 -3.991 1.00 72.32 O ATOM 31 CG2 THR A 3 9.295 -2.739 -2.840 1.00 55.42 C ATOM 0 HA THR A 3 7.969 -5.769 -3.841 1.00 65.14 H new ATOM 0 HB THR A 3 8.694 -3.604 -4.698 1.00 30.30 H new ATOM 0 HG1 THR A 3 10.999 -3.903 -4.389 1.00 72.32 H new ATOM 0 HG21 THR A 3 9.985 -2.032 -3.301 1.00 55.42 H new ATOM 0 HG22 THR A 3 8.331 -2.256 -2.683 1.00 55.42 H new ATOM 0 HG23 THR A 3 9.698 -3.065 -1.881 1.00 55.42 H new ATOM 39 N ILE A 4 9.726 -6.449 -2.043 1.00 34.43 N ATOM 40 CA ILE A 4 10.406 -7.074 -0.915 1.00 41.01 C ATOM 41 C ILE A 4 11.004 -6.025 0.016 1.00 41.32 C ATOM 42 O ILE A 4 11.177 -6.266 1.211 1.00 72.14 O ATOM 43 CB ILE A 4 11.524 -8.022 -1.387 1.00 62.13 C ATOM 44 CG1 ILE A 4 11.512 -9.311 -0.562 1.00 44.43 C ATOM 45 CG2 ILE A 4 12.878 -7.335 -1.288 1.00 21.33 C ATOM 46 CD1 ILE A 4 11.636 -9.076 0.927 1.00 40.21 C ATOM 0 H ILE A 4 10.043 -6.770 -2.958 1.00 34.43 H new ATOM 0 HA ILE A 4 9.656 -7.651 -0.374 1.00 41.01 H new ATOM 0 HB ILE A 4 11.345 -8.280 -2.431 1.00 62.13 H new ATOM 0 HG12 ILE A 4 10.586 -9.851 -0.761 1.00 44.43 H new ATOM 0 HG13 ILE A 4 12.331 -9.951 -0.890 1.00 44.43 H new ATOM 0 HG21 ILE A 4 13.658 -8.018 -1.625 1.00 21.33 H new ATOM 0 HG22 ILE A 4 12.880 -6.443 -1.915 1.00 21.33 H new ATOM 0 HG23 ILE A 4 13.067 -7.051 -0.253 1.00 21.33 H new ATOM 0 HD11 ILE A 4 11.620 -10.033 1.449 1.00 40.21 H new ATOM 0 HD12 ILE A 4 12.574 -8.563 1.137 1.00 40.21 H new ATOM 0 HD13 ILE A 4 10.803 -8.462 1.269 1.00 40.21 H new ATOM 58 N ASP A 5 11.317 -4.859 -0.539 1.00 54.11 N ATOM 59 CA ASP A 5 11.893 -3.770 0.242 1.00 73.33 C ATOM 60 C ASP A 5 10.924 -3.307 1.326 1.00 62.25 C ATOM 61 O ASP A 5 11.338 -2.927 2.421 1.00 63.41 O ATOM 62 CB ASP A 5 12.257 -2.597 -0.670 1.00 35.32 C ATOM 63 CG ASP A 5 13.345 -1.722 -0.080 1.00 54.41 C ATOM 64 OD1 ASP A 5 13.224 -1.342 1.103 1.00 14.41 O ATOM 65 OD2 ASP A 5 14.317 -1.416 -0.802 1.00 52.41 O ATOM 0 H ASP A 5 11.182 -4.644 -1.527 1.00 54.11 H new ATOM 0 HA ASP A 5 12.798 -4.140 0.723 1.00 73.33 H new ATOM 0 HB2 ASP A 5 12.586 -2.980 -1.636 1.00 35.32 H new ATOM 0 HB3 ASP A 5 11.368 -1.993 -0.853 1.00 35.32 H new ATOM 70 N ASP A 6 9.634 -3.340 1.012 1.00 72.41 N ATOM 71 CA ASP A 6 8.606 -2.924 1.959 1.00 72.12 C ATOM 72 C ASP A 6 8.698 -3.731 3.250 1.00 14.02 C ATOM 73 O ASP A 6 8.497 -3.199 4.342 1.00 74.15 O ATOM 74 CB ASP A 6 7.217 -3.085 1.340 1.00 74.33 C ATOM 75 CG ASP A 6 6.122 -2.507 2.215 1.00 41.22 C ATOM 76 OD1 ASP A 6 5.697 -3.195 3.166 1.00 62.52 O ATOM 77 OD2 ASP A 6 5.690 -1.366 1.948 1.00 14.22 O ATOM 0 H ASP A 6 9.275 -3.650 0.109 1.00 72.41 H new ATOM 0 HA ASP A 6 8.770 -1.873 2.196 1.00 72.12 H new ATOM 0 HB2 ASP A 6 7.197 -2.594 0.367 1.00 74.33 H new ATOM 0 HB3 ASP A 6 7.020 -4.143 1.168 1.00 74.33 H new ATOM 82 N ALA A 7 9.002 -5.018 3.117 1.00 15.14 N ATOM 83 CA ALA A 7 9.121 -5.898 4.273 1.00 13.13 C ATOM 84 C ALA A 7 10.236 -5.434 5.204 1.00 41.31 C ATOM 85 O ALA A 7 10.030 -5.282 6.408 1.00 5.32 O ATOM 86 CB ALA A 7 9.368 -7.330 3.823 1.00 21.01 C ATOM 0 H ALA A 7 9.170 -5.474 2.220 1.00 15.14 H new ATOM 0 HA ALA A 7 8.182 -5.859 4.826 1.00 13.13 H new ATOM 0 HB1 ALA A 7 9.455 -7.976 4.697 1.00 21.01 H new ATOM 0 HB2 ALA A 7 8.536 -7.666 3.205 1.00 21.01 H new ATOM 0 HB3 ALA A 7 10.291 -7.376 3.245 1.00 21.01 H new ATOM 92 N PHE A 8 11.418 -5.211 4.638 1.00 12.33 N ATOM 93 CA PHE A 8 12.567 -4.765 5.418 1.00 33.41 C ATOM 94 C PHE A 8 12.280 -3.427 6.093 1.00 21.33 C ATOM 95 O PHE A 8 12.782 -3.149 7.183 1.00 61.55 O ATOM 96 CB PHE A 8 13.801 -4.643 4.523 1.00 64.54 C ATOM 97 CG PHE A 8 14.140 -5.911 3.792 1.00 75.50 C ATOM 98 CD1 PHE A 8 14.130 -7.130 4.451 1.00 33.10 C ATOM 99 CD2 PHE A 8 14.468 -5.885 2.446 1.00 13.50 C ATOM 100 CE1 PHE A 8 14.440 -8.299 3.782 1.00 40.14 C ATOM 101 CE2 PHE A 8 14.778 -7.050 1.771 1.00 4.03 C ATOM 102 CZ PHE A 8 14.766 -8.258 2.440 1.00 32.51 C ATOM 0 H PHE A 8 11.605 -5.332 3.643 1.00 12.33 H new ATOM 0 HA PHE A 8 12.760 -5.508 6.192 1.00 33.41 H new ATOM 0 HB2 PHE A 8 13.636 -3.847 3.796 1.00 64.54 H new ATOM 0 HB3 PHE A 8 14.654 -4.346 5.133 1.00 64.54 H new ATOM 0 HD1 PHE A 8 13.877 -7.167 5.500 1.00 33.10 H new ATOM 0 HD2 PHE A 8 14.481 -4.943 1.918 1.00 13.50 H new ATOM 0 HE1 PHE A 8 14.427 -9.243 4.307 1.00 40.14 H new ATOM 0 HE2 PHE A 8 15.029 -7.016 0.721 1.00 4.03 H new ATOM 0 HZ PHE A 8 15.011 -9.169 1.915 1.00 32.51 H new ATOM 112 N ARG A 9 11.470 -2.602 5.438 1.00 22.20 N ATOM 113 CA ARG A 9 11.118 -1.293 5.973 1.00 13.41 C ATOM 114 C ARG A 9 10.053 -1.418 7.059 1.00 1.41 C ATOM 115 O ARG A 9 10.053 -0.664 8.032 1.00 41.12 O ATOM 116 CB ARG A 9 10.615 -0.379 4.854 1.00 70.23 C ATOM 117 CG ARG A 9 11.705 0.057 3.888 1.00 75.11 C ATOM 118 CD ARG A 9 11.199 1.113 2.918 1.00 51.13 C ATOM 119 NE ARG A 9 10.924 2.383 3.585 1.00 23.21 N ATOM 120 CZ ARG A 9 11.872 3.184 4.060 1.00 60.45 C ATOM 121 NH1 ARG A 9 13.149 2.848 3.940 1.00 2.22 N ATOM 122 NH2 ARG A 9 11.543 4.323 4.654 1.00 11.15 N ATOM 0 H ARG A 9 11.045 -2.817 4.536 1.00 22.20 H new ATOM 0 HA ARG A 9 12.014 -0.856 6.415 1.00 13.41 H new ATOM 0 HB2 ARG A 9 9.834 -0.896 4.297 1.00 70.23 H new ATOM 0 HB3 ARG A 9 10.158 0.506 5.297 1.00 70.23 H new ATOM 0 HG2 ARG A 9 12.553 0.452 4.448 1.00 75.11 H new ATOM 0 HG3 ARG A 9 12.066 -0.807 3.331 1.00 75.11 H new ATOM 0 HD2 ARG A 9 11.939 1.269 2.133 1.00 51.13 H new ATOM 0 HD3 ARG A 9 10.291 0.754 2.433 1.00 51.13 H new ATOM 0 HE ARG A 9 9.951 2.671 3.692 1.00 23.21 H new ATOM 0 HH11 ARG A 9 13.405 1.973 3.482 1.00 2.22 H new ATOM 0 HH12 ARG A 9 13.875 3.464 4.305 1.00 2.22 H new ATOM 0 HH21 ARG A 9 10.562 4.585 4.747 1.00 11.15 H new ATOM 0 HH22 ARG A 9 12.271 4.937 5.018 1.00 11.15 H new ATOM 136 N ALA A 10 9.147 -2.374 6.885 1.00 60.11 N ATOM 137 CA ALA A 10 8.078 -2.599 7.850 1.00 1.31 C ATOM 138 C ALA A 10 8.601 -3.311 9.093 1.00 44.40 C ATOM 139 O ALA A 10 8.037 -3.178 10.179 1.00 2.34 O ATOM 140 CB ALA A 10 6.953 -3.402 7.214 1.00 11.52 C ATOM 0 H ALA A 10 9.132 -3.006 6.084 1.00 60.11 H new ATOM 0 HA ALA A 10 7.689 -1.628 8.156 1.00 1.31 H new ATOM 0 HB1 ALA A 10 6.162 -3.563 7.946 1.00 11.52 H new ATOM 0 HB2 ALA A 10 6.552 -2.854 6.361 1.00 11.52 H new ATOM 0 HB3 ALA A 10 7.338 -4.365 6.879 1.00 11.52 H new ATOM 146 N ILE A 11 9.682 -4.066 8.926 1.00 75.13 N ATOM 147 CA ILE A 11 10.280 -4.798 10.035 1.00 63.33 C ATOM 148 C ILE A 11 10.511 -3.886 11.235 1.00 63.13 C ATOM 149 O ILE A 11 10.502 -4.337 12.380 1.00 52.34 O ATOM 150 CB ILE A 11 11.619 -5.441 9.627 1.00 22.14 C ATOM 151 CG1 ILE A 11 11.904 -6.670 10.493 1.00 22.02 C ATOM 152 CG2 ILE A 11 12.750 -4.430 9.745 1.00 13.20 C ATOM 153 CD1 ILE A 11 12.660 -7.760 9.766 1.00 42.43 C ATOM 0 H ILE A 11 10.161 -4.186 8.034 1.00 75.13 H new ATOM 0 HA ILE A 11 9.577 -5.584 10.310 1.00 63.33 H new ATOM 0 HB ILE A 11 11.550 -5.760 8.587 1.00 22.14 H new ATOM 0 HG12 ILE A 11 12.477 -6.363 11.368 1.00 22.02 H new ATOM 0 HG13 ILE A 11 10.960 -7.075 10.857 1.00 22.02 H new ATOM 0 HG21 ILE A 11 13.690 -4.899 9.453 1.00 13.20 H new ATOM 0 HG22 ILE A 11 12.550 -3.582 9.090 1.00 13.20 H new ATOM 0 HG23 ILE A 11 12.822 -4.084 10.776 1.00 13.20 H new ATOM 0 HD11 ILE A 11 12.827 -8.600 10.441 1.00 42.43 H new ATOM 0 HD12 ILE A 11 12.079 -8.095 8.907 1.00 42.43 H new ATOM 0 HD13 ILE A 11 13.620 -7.372 9.426 1.00 42.43 H new ATOM 165 N GLU A 12 10.717 -2.601 10.963 1.00 20.04 N ATOM 166 CA GLU A 12 10.949 -1.625 12.022 1.00 64.32 C ATOM 167 C GLU A 12 9.763 -1.568 12.980 1.00 73.54 C ATOM 168 O GLU A 12 9.934 -1.417 14.189 1.00 5.41 O ATOM 169 CB GLU A 12 11.202 -0.240 11.423 1.00 70.24 C ATOM 170 CG GLU A 12 11.295 0.865 12.461 1.00 30.35 C ATOM 171 CD GLU A 12 11.913 2.134 11.909 1.00 52.40 C ATOM 172 OE1 GLU A 12 12.921 2.035 11.179 1.00 51.51 O ATOM 173 OE2 GLU A 12 11.387 3.228 12.207 1.00 62.50 O ATOM 0 H GLU A 12 10.728 -2.212 10.020 1.00 20.04 H new ATOM 0 HA GLU A 12 11.831 -1.938 12.582 1.00 64.32 H new ATOM 0 HB2 GLU A 12 12.128 -0.266 10.848 1.00 70.24 H new ATOM 0 HB3 GLU A 12 10.400 -0.004 10.724 1.00 70.24 H new ATOM 0 HG2 GLU A 12 10.298 1.087 12.840 1.00 30.35 H new ATOM 0 HG3 GLU A 12 11.887 0.515 13.306 1.00 30.35 H new ATOM 180 N ARG A 13 8.559 -1.691 12.429 1.00 3.11 N ATOM 181 CA ARG A 13 7.344 -1.652 13.233 1.00 12.22 C ATOM 182 C ARG A 13 7.157 -2.958 14.000 1.00 53.13 C ATOM 183 O ARG A 13 6.564 -2.977 15.078 1.00 2.21 O ATOM 184 CB ARG A 13 6.127 -1.391 12.344 1.00 73.11 C ATOM 185 CG ARG A 13 5.217 -0.290 12.864 1.00 30.10 C ATOM 186 CD ARG A 13 5.182 0.898 11.916 1.00 51.04 C ATOM 187 NE ARG A 13 4.242 1.925 12.359 1.00 64.42 N ATOM 188 CZ ARG A 13 4.246 3.171 11.900 1.00 54.20 C ATOM 189 NH1 ARG A 13 5.134 3.543 10.989 1.00 41.51 N ATOM 190 NH2 ARG A 13 3.358 4.048 12.352 1.00 5.22 N ATOM 0 H ARG A 13 8.400 -1.818 11.430 1.00 3.11 H new ATOM 0 HA ARG A 13 7.441 -0.839 13.953 1.00 12.22 H new ATOM 0 HB2 ARG A 13 6.469 -1.126 11.344 1.00 73.11 H new ATOM 0 HB3 ARG A 13 5.552 -2.312 12.251 1.00 73.11 H new ATOM 0 HG2 ARG A 13 4.208 -0.682 12.995 1.00 30.10 H new ATOM 0 HG3 ARG A 13 5.563 0.036 13.845 1.00 30.10 H new ATOM 0 HD2 ARG A 13 6.180 1.329 11.839 1.00 51.04 H new ATOM 0 HD3 ARG A 13 4.903 0.558 10.919 1.00 51.04 H new ATOM 0 HE ARG A 13 3.545 1.671 13.059 1.00 64.42 H new ATOM 0 HH11 ARG A 13 5.817 2.871 10.638 1.00 41.51 H new ATOM 0 HH12 ARG A 13 5.134 4.501 10.638 1.00 41.51 H new ATOM 0 HH21 ARG A 13 2.672 3.765 13.052 1.00 5.22 H new ATOM 0 HH22 ARG A 13 3.361 5.005 11.999 1.00 5.22 H new ATOM 204 N ALA A 14 7.666 -4.048 13.434 1.00 14.25 N ATOM 205 CA ALA A 14 7.556 -5.357 14.065 1.00 70.41 C ATOM 206 C ALA A 14 8.310 -5.394 15.390 1.00 44.14 C ATOM 207 O ALA A 14 7.763 -5.799 16.415 1.00 31.34 O ATOM 208 CB ALA A 14 8.076 -6.439 13.129 1.00 12.32 C ATOM 0 H ALA A 14 8.158 -4.050 12.541 1.00 14.25 H new ATOM 0 HA ALA A 14 6.503 -5.546 14.272 1.00 70.41 H new ATOM 0 HB1 ALA A 14 7.988 -7.412 13.613 1.00 12.32 H new ATOM 0 HB2 ALA A 14 7.491 -6.437 12.210 1.00 12.32 H new ATOM 0 HB3 ALA A 14 9.122 -6.244 12.893 1.00 12.32 H new ATOM 214 N ILE A 15 9.569 -4.969 15.360 1.00 10.12 N ATOM 215 CA ILE A 15 10.398 -4.953 16.559 1.00 34.12 C ATOM 216 C ILE A 15 9.845 -3.982 17.597 1.00 74.12 C ATOM 217 O ILE A 15 9.896 -4.247 18.798 1.00 42.44 O ATOM 218 CB ILE A 15 11.852 -4.565 16.233 1.00 20.24 C ATOM 219 CG1 ILE A 15 12.696 -4.545 17.510 1.00 73.33 C ATOM 220 CG2 ILE A 15 11.897 -3.211 15.541 1.00 34.13 C ATOM 221 CD1 ILE A 15 13.935 -5.408 17.428 1.00 22.52 C ATOM 0 H ILE A 15 10.037 -4.631 14.519 1.00 10.12 H new ATOM 0 HA ILE A 15 10.383 -5.964 16.966 1.00 34.12 H new ATOM 0 HB ILE A 15 12.268 -5.311 15.556 1.00 20.24 H new ATOM 0 HG12 ILE A 15 12.992 -3.518 17.724 1.00 73.33 H new ATOM 0 HG13 ILE A 15 12.083 -4.881 18.346 1.00 73.33 H new ATOM 0 HG21 ILE A 15 12.932 -2.951 15.317 1.00 34.13 H new ATOM 0 HG22 ILE A 15 11.326 -3.257 14.614 1.00 34.13 H new ATOM 0 HG23 ILE A 15 11.466 -2.453 16.195 1.00 34.13 H new ATOM 0 HD11 ILE A 15 14.485 -5.346 18.367 1.00 22.52 H new ATOM 0 HD12 ILE A 15 13.646 -6.443 17.244 1.00 22.52 H new ATOM 0 HD13 ILE A 15 14.569 -5.058 16.613 1.00 22.52 H new ATOM 233 N GLN A 16 9.314 -2.859 17.124 1.00 4.55 N ATOM 234 CA GLN A 16 8.750 -1.848 18.012 1.00 24.40 C ATOM 235 C GLN A 16 7.557 -2.405 18.781 1.00 21.14 C ATOM 236 O GLN A 16 7.211 -1.908 19.853 1.00 74.52 O ATOM 237 CB GLN A 16 8.326 -0.616 17.212 1.00 44.41 C ATOM 238 CG GLN A 16 9.466 0.351 16.934 1.00 64.35 C ATOM 239 CD GLN A 16 9.545 1.470 17.953 1.00 22.43 C ATOM 240 OE1 GLN A 16 9.645 1.223 19.156 1.00 51.43 O ATOM 241 NE2 GLN A 16 9.501 2.709 17.478 1.00 61.43 N ATOM 0 H GLN A 16 9.262 -2.626 16.132 1.00 4.55 H new ATOM 0 HA GLN A 16 9.519 -1.560 18.729 1.00 24.40 H new ATOM 0 HB2 GLN A 16 7.895 -0.939 16.264 1.00 44.41 H new ATOM 0 HB3 GLN A 16 7.541 -0.092 17.757 1.00 44.41 H new ATOM 0 HG2 GLN A 16 10.408 -0.197 16.928 1.00 64.35 H new ATOM 0 HG3 GLN A 16 9.340 0.779 15.939 1.00 64.35 H new ATOM 0 HE21 GLN A 16 9.418 2.868 16.474 1.00 61.43 H new ATOM 0 HE22 GLN A 16 9.551 3.502 18.117 1.00 61.43 H new ATOM 250 N ALA A 17 6.932 -3.439 18.227 1.00 0.24 N ATOM 251 CA ALA A 17 5.778 -4.064 18.862 1.00 5.24 C ATOM 252 C ALA A 17 6.077 -4.420 20.315 1.00 63.03 C ATOM 253 O ALA A 17 5.256 -4.189 21.201 1.00 33.10 O ATOM 254 CB ALA A 17 5.358 -5.304 18.088 1.00 33.35 C ATOM 0 H ALA A 17 7.205 -3.861 17.340 1.00 0.24 H new ATOM 0 HA ALA A 17 4.956 -3.348 18.853 1.00 5.24 H new ATOM 0 HB1 ALA A 17 4.495 -5.761 18.573 1.00 33.35 H new ATOM 0 HB2 ALA A 17 5.095 -5.024 17.068 1.00 33.35 H new ATOM 0 HB3 ALA A 17 6.182 -6.017 18.068 1.00 33.35 H new ATOM 260 N GLU A 18 7.258 -4.984 20.550 1.00 31.10 N ATOM 261 CA GLU A 18 7.663 -5.373 21.896 1.00 60.44 C ATOM 262 C GLU A 18 6.595 -6.240 22.556 1.00 13.02 C ATOM 263 O GLU A 18 6.123 -5.935 23.651 1.00 60.32 O ATOM 264 CB GLU A 18 7.930 -4.133 22.751 1.00 53.12 C ATOM 265 CG GLU A 18 9.074 -3.274 22.238 1.00 74.41 C ATOM 266 CD GLU A 18 10.433 -3.889 22.512 1.00 55.04 C ATOM 267 OE1 GLU A 18 10.483 -4.942 23.181 1.00 14.04 O ATOM 268 OE2 GLU A 18 11.445 -3.318 22.057 1.00 43.52 O ATOM 0 H GLU A 18 7.950 -5.181 19.827 1.00 31.10 H new ATOM 0 HA GLU A 18 8.581 -5.955 21.818 1.00 60.44 H new ATOM 0 HB2 GLU A 18 7.024 -3.529 22.793 1.00 53.12 H new ATOM 0 HB3 GLU A 18 8.151 -4.446 23.771 1.00 53.12 H new ATOM 0 HG2 GLU A 18 8.957 -3.123 21.165 1.00 74.41 H new ATOM 0 HG3 GLU A 18 9.023 -2.291 22.706 1.00 74.41 H new ATOM 275 N ASN A 19 6.218 -7.321 21.882 1.00 71.44 N ATOM 276 CA ASN A 19 5.205 -8.232 22.402 1.00 74.13 C ATOM 277 C ASN A 19 5.720 -9.668 22.417 1.00 70.02 C ATOM 278 O ASN A 19 6.824 -9.946 21.951 1.00 44.20 O ATOM 279 CB ASN A 19 3.930 -8.145 21.560 1.00 40.32 C ATOM 280 CG ASN A 19 2.687 -8.493 22.355 1.00 13.01 C ATOM 281 OD1 ASN A 19 2.709 -8.512 23.586 1.00 72.31 O ATOM 282 ND2 ASN A 19 1.594 -8.771 21.653 1.00 1.33 N ATOM 0 H ASN A 19 6.599 -7.588 20.974 1.00 71.44 H new ATOM 0 HA ASN A 19 4.978 -7.936 23.426 1.00 74.13 H new ATOM 0 HB2 ASN A 19 3.831 -7.136 21.159 1.00 40.32 H new ATOM 0 HB3 ASN A 19 4.014 -8.820 20.708 1.00 40.32 H new ATOM 0 HD21 ASN A 19 0.727 -9.012 22.133 1.00 1.33 H new ATOM 0 HD22 ASN A 19 1.622 -8.743 20.634 1.00 1.33 H new ATOM 289 N GLU A 20 4.911 -10.576 22.955 1.00 44.30 N ATOM 290 CA GLU A 20 5.286 -11.983 23.031 1.00 44.24 C ATOM 291 C GLU A 20 4.133 -12.878 22.587 1.00 51.12 C ATOM 292 O GLU A 20 3.906 -13.945 23.156 1.00 42.30 O ATOM 293 CB GLU A 20 5.708 -12.345 24.456 1.00 24.20 C ATOM 294 CG GLU A 20 4.788 -11.782 25.525 1.00 15.32 C ATOM 295 CD GLU A 20 5.195 -12.199 26.925 1.00 73.20 C ATOM 296 OE1 GLU A 20 5.718 -13.322 27.081 1.00 21.02 O ATOM 297 OE2 GLU A 20 4.990 -11.402 27.864 1.00 33.03 O ATOM 0 H GLU A 20 3.993 -10.362 23.344 1.00 44.30 H new ATOM 0 HA GLU A 20 6.128 -12.145 22.358 1.00 44.24 H new ATOM 0 HB2 GLU A 20 5.741 -13.430 24.552 1.00 24.20 H new ATOM 0 HB3 GLU A 20 6.720 -11.979 24.630 1.00 24.20 H new ATOM 0 HG2 GLU A 20 4.786 -10.694 25.460 1.00 15.32 H new ATOM 0 HG3 GLU A 20 3.768 -12.115 25.333 1.00 15.32 H new ATOM 304 N GLY A 21 3.406 -12.434 21.566 1.00 60.24 N ATOM 305 CA GLY A 21 2.285 -13.206 21.063 1.00 55.33 C ATOM 306 C GLY A 21 1.919 -12.837 19.639 1.00 40.23 C ATOM 307 O GLY A 21 1.838 -13.703 18.767 1.00 13.24 O ATOM 0 H GLY A 21 3.573 -11.554 21.079 1.00 60.24 H new ATOM 0 HA2 GLY A 21 2.529 -14.267 21.109 1.00 55.33 H new ATOM 0 HA3 GLY A 21 1.421 -13.050 21.709 1.00 55.33 H new ATOM 311 N ARG A 22 1.697 -11.548 19.401 1.00 35.24 N ATOM 312 CA ARG A 22 1.335 -11.067 18.074 1.00 74.24 C ATOM 313 C ARG A 22 2.573 -10.910 17.196 1.00 71.41 C ATOM 314 O ARG A 22 2.479 -10.900 15.968 1.00 20.43 O ATOM 315 CB ARG A 22 0.596 -9.731 18.175 1.00 22.45 C ATOM 316 CG ARG A 22 0.040 -9.240 16.849 1.00 62.00 C ATOM 317 CD ARG A 22 1.008 -8.295 16.155 1.00 2.41 C ATOM 318 NE ARG A 22 0.620 -6.896 16.320 1.00 64.32 N ATOM 319 CZ ARG A 22 1.271 -5.882 15.759 1.00 34.44 C ATOM 320 NH1 ARG A 22 2.334 -6.110 15.002 1.00 64.52 N ATOM 321 NH2 ARG A 22 0.856 -4.637 15.956 1.00 24.22 N ATOM 0 H ARG A 22 1.762 -10.818 20.111 1.00 35.24 H new ATOM 0 HA ARG A 22 0.676 -11.805 17.616 1.00 74.24 H new ATOM 0 HB2 ARG A 22 -0.223 -9.832 18.888 1.00 22.45 H new ATOM 0 HB3 ARG A 22 1.276 -8.979 18.575 1.00 22.45 H new ATOM 0 HG2 ARG A 22 -0.165 -10.092 16.201 1.00 62.00 H new ATOM 0 HG3 ARG A 22 -0.909 -8.731 17.017 1.00 62.00 H new ATOM 0 HD2 ARG A 22 2.010 -8.443 16.557 1.00 2.41 H new ATOM 0 HD3 ARG A 22 1.052 -8.536 15.093 1.00 2.41 H new ATOM 0 HE ARG A 22 -0.195 -6.686 16.897 1.00 64.32 H new ATOM 0 HH11 ARG A 22 2.655 -7.066 14.848 1.00 64.52 H new ATOM 0 HH12 ARG A 22 2.831 -5.330 14.573 1.00 64.52 H new ATOM 0 HH21 ARG A 22 0.038 -4.458 16.538 1.00 24.22 H new ATOM 0 HH22 ARG A 22 1.356 -3.859 15.526 1.00 24.22 H new ATOM 335 N TYR A 23 3.732 -10.788 17.834 1.00 53.15 N ATOM 336 CA TYR A 23 4.988 -10.629 17.111 1.00 3.54 C ATOM 337 C TYR A 23 5.169 -11.739 16.081 1.00 22.11 C ATOM 338 O TYR A 23 5.771 -11.531 15.027 1.00 33.41 O ATOM 339 CB TYR A 23 6.165 -10.627 18.088 1.00 25.11 C ATOM 340 CG TYR A 23 6.570 -12.009 18.551 1.00 41.52 C ATOM 341 CD1 TYR A 23 5.692 -12.806 19.274 1.00 54.31 C ATOM 342 CD2 TYR A 23 7.831 -12.517 18.264 1.00 41.13 C ATOM 343 CE1 TYR A 23 6.058 -14.068 19.699 1.00 35.12 C ATOM 344 CE2 TYR A 23 8.205 -13.779 18.684 1.00 41.23 C ATOM 345 CZ TYR A 23 7.315 -14.550 19.401 1.00 20.25 C ATOM 346 OH TYR A 23 7.683 -15.808 19.822 1.00 12.21 O ATOM 0 H TYR A 23 3.828 -10.796 18.849 1.00 53.15 H new ATOM 0 HA TYR A 23 4.958 -9.674 16.586 1.00 3.54 H new ATOM 0 HB2 TYR A 23 7.020 -10.147 17.612 1.00 25.11 H new ATOM 0 HB3 TYR A 23 5.904 -10.024 18.957 1.00 25.11 H new ATOM 0 HD1 TYR A 23 4.706 -12.432 19.508 1.00 54.31 H new ATOM 0 HD2 TYR A 23 8.531 -11.915 17.703 1.00 41.13 H new ATOM 0 HE1 TYR A 23 5.363 -14.674 20.262 1.00 35.12 H new ATOM 0 HE2 TYR A 23 9.189 -14.159 18.452 1.00 41.23 H new ATOM 0 HH TYR A 23 8.587 -16.009 19.502 1.00 12.21 H new ATOM 356 N ARG A 24 4.644 -12.919 16.394 1.00 15.10 N ATOM 357 CA ARG A 24 4.747 -14.063 15.497 1.00 74.41 C ATOM 358 C ARG A 24 3.812 -13.903 14.301 1.00 30.04 C ATOM 359 O ARG A 24 4.091 -14.403 13.212 1.00 20.34 O ATOM 360 CB ARG A 24 4.417 -15.356 16.245 1.00 24.43 C ATOM 361 CG ARG A 24 2.995 -15.407 16.778 1.00 54.43 C ATOM 362 CD ARG A 24 2.202 -16.539 16.144 1.00 23.41 C ATOM 363 NE ARG A 24 1.819 -16.236 14.768 1.00 15.00 N ATOM 364 CZ ARG A 24 1.485 -17.163 13.877 1.00 44.24 C ATOM 365 NH1 ARG A 24 1.489 -18.445 14.215 1.00 14.34 N ATOM 366 NH2 ARG A 24 1.148 -16.808 12.643 1.00 14.05 N ATOM 0 H ARG A 24 4.143 -13.108 17.262 1.00 15.10 H new ATOM 0 HA ARG A 24 5.772 -14.114 15.131 1.00 74.41 H new ATOM 0 HB2 ARG A 24 4.576 -16.203 15.577 1.00 24.43 H new ATOM 0 HB3 ARG A 24 5.112 -15.472 17.077 1.00 24.43 H new ATOM 0 HG2 ARG A 24 3.015 -15.537 17.860 1.00 54.43 H new ATOM 0 HG3 ARG A 24 2.497 -14.458 16.581 1.00 54.43 H new ATOM 0 HD2 ARG A 24 2.797 -17.452 16.162 1.00 23.41 H new ATOM 0 HD3 ARG A 24 1.307 -16.730 16.736 1.00 23.41 H new ATOM 0 HE ARG A 24 1.807 -15.259 14.475 1.00 15.00 H new ATOM 0 HH11 ARG A 24 1.749 -18.722 15.162 1.00 14.34 H new ATOM 0 HH12 ARG A 24 1.232 -19.154 13.528 1.00 14.34 H new ATOM 0 HH21 ARG A 24 1.145 -15.823 12.378 1.00 14.05 H new ATOM 0 HH22 ARG A 24 0.892 -17.520 11.959 1.00 14.05 H new ATOM 380 N GLU A 25 2.702 -13.203 14.514 1.00 3.40 N ATOM 381 CA GLU A 25 1.727 -12.978 13.454 1.00 74.11 C ATOM 382 C GLU A 25 2.226 -11.925 12.469 1.00 13.42 C ATOM 383 O GLU A 25 1.946 -11.996 11.273 1.00 51.20 O ATOM 384 CB GLU A 25 0.386 -12.542 14.048 1.00 12.13 C ATOM 385 CG GLU A 25 -0.759 -13.487 13.725 1.00 15.42 C ATOM 386 CD GLU A 25 -1.848 -12.824 12.904 1.00 73.02 C ATOM 387 OE1 GLU A 25 -1.729 -12.810 11.661 1.00 74.21 O ATOM 388 OE2 GLU A 25 -2.820 -12.319 13.505 1.00 61.41 O ATOM 0 H GLU A 25 2.456 -12.782 15.410 1.00 3.40 H new ATOM 0 HA GLU A 25 1.590 -13.917 12.917 1.00 74.11 H new ATOM 0 HB2 GLU A 25 0.486 -12.463 15.130 1.00 12.13 H new ATOM 0 HB3 GLU A 25 0.140 -11.547 13.677 1.00 12.13 H new ATOM 0 HG2 GLU A 25 -0.372 -14.348 13.180 1.00 15.42 H new ATOM 0 HG3 GLU A 25 -1.188 -13.864 14.654 1.00 15.42 H new ATOM 395 N ALA A 26 2.966 -10.947 12.982 1.00 30.32 N ATOM 396 CA ALA A 26 3.505 -9.880 12.149 1.00 5.11 C ATOM 397 C ALA A 26 4.540 -10.419 11.167 1.00 30.42 C ATOM 398 O ALA A 26 4.553 -10.043 9.994 1.00 22.43 O ATOM 399 CB ALA A 26 4.117 -8.791 13.018 1.00 41.54 C ATOM 0 H ALA A 26 3.206 -10.872 13.971 1.00 30.32 H new ATOM 0 HA ALA A 26 2.684 -9.453 11.573 1.00 5.11 H new ATOM 0 HB1 ALA A 26 4.516 -8.000 12.383 1.00 41.54 H new ATOM 0 HB2 ALA A 26 3.352 -8.377 13.675 1.00 41.54 H new ATOM 0 HB3 ALA A 26 4.922 -9.214 13.619 1.00 41.54 H new ATOM 405 N LEU A 27 5.406 -11.302 11.653 1.00 1.32 N ATOM 406 CA LEU A 27 6.446 -11.893 10.818 1.00 52.00 C ATOM 407 C LEU A 27 5.835 -12.662 9.651 1.00 70.10 C ATOM 408 O LEU A 27 6.443 -12.784 8.587 1.00 30.44 O ATOM 409 CB LEU A 27 7.329 -12.824 11.651 1.00 54.00 C ATOM 410 CG LEU A 27 8.445 -12.152 12.452 1.00 73.14 C ATOM 411 CD1 LEU A 27 9.208 -13.181 13.271 1.00 70.44 C ATOM 412 CD2 LEU A 27 9.388 -11.400 11.524 1.00 12.12 C ATOM 0 H LEU A 27 5.408 -11.624 12.621 1.00 1.32 H new ATOM 0 HA LEU A 27 7.058 -11.085 10.416 1.00 52.00 H new ATOM 0 HB2 LEU A 27 6.691 -13.373 12.344 1.00 54.00 H new ATOM 0 HB3 LEU A 27 7.780 -13.558 10.983 1.00 54.00 H new ATOM 0 HG LEU A 27 7.994 -11.435 13.138 1.00 73.14 H new ATOM 0 HD11 LEU A 27 9.998 -12.684 13.834 1.00 70.44 H new ATOM 0 HD12 LEU A 27 8.525 -13.675 13.962 1.00 70.44 H new ATOM 0 HD13 LEU A 27 9.649 -13.922 12.604 1.00 70.44 H new ATOM 0 HD21 LEU A 27 10.176 -10.928 12.111 1.00 12.12 H new ATOM 0 HD22 LEU A 27 9.833 -12.097 10.814 1.00 12.12 H new ATOM 0 HD23 LEU A 27 8.832 -10.635 10.982 1.00 12.12 H new ATOM 424 N LYS A 28 4.628 -13.178 9.856 1.00 13.32 N ATOM 425 CA LYS A 28 3.931 -13.932 8.821 1.00 63.21 C ATOM 426 C LYS A 28 3.889 -13.150 7.512 1.00 4.44 C ATOM 427 O LYS A 28 3.963 -13.729 6.428 1.00 13.02 O ATOM 428 CB LYS A 28 2.508 -14.265 9.274 1.00 61.50 C ATOM 429 CG LYS A 28 1.868 -15.396 8.487 1.00 25.43 C ATOM 430 CD LYS A 28 0.570 -14.956 7.833 1.00 51.32 C ATOM 431 CE LYS A 28 -0.219 -16.144 7.304 1.00 13.34 C ATOM 432 NZ LYS A 28 -1.468 -15.717 6.614 1.00 61.40 N ATOM 0 H LYS A 28 4.112 -13.088 10.731 1.00 13.32 H new ATOM 0 HA LYS A 28 4.478 -14.859 8.652 1.00 63.21 H new ATOM 0 HB2 LYS A 28 2.525 -14.533 10.330 1.00 61.50 H new ATOM 0 HB3 LYS A 28 1.888 -13.373 9.182 1.00 61.50 H new ATOM 0 HG2 LYS A 28 2.561 -15.746 7.722 1.00 25.43 H new ATOM 0 HG3 LYS A 28 1.674 -16.238 9.151 1.00 25.43 H new ATOM 0 HD2 LYS A 28 -0.035 -14.409 8.556 1.00 51.32 H new ATOM 0 HD3 LYS A 28 0.788 -14.270 7.015 1.00 51.32 H new ATOM 0 HE2 LYS A 28 0.402 -16.713 6.612 1.00 13.34 H new ATOM 0 HE3 LYS A 28 -0.470 -16.810 8.129 1.00 13.34 H new ATOM 0 HZ1 LYS A 28 -1.977 -16.555 6.268 1.00 61.40 H new ATOM 0 HZ2 LYS A 28 -2.072 -15.196 7.281 1.00 61.40 H new ATOM 0 HZ3 LYS A 28 -1.228 -15.102 5.811 1.00 61.40 H new ATOM 446 N HIS A 29 3.773 -11.830 7.621 1.00 54.12 N ATOM 447 CA HIS A 29 3.723 -10.968 6.445 1.00 3.44 C ATOM 448 C HIS A 29 5.095 -10.871 5.784 1.00 20.24 C ATOM 449 O HIS A 29 5.200 -10.762 4.563 1.00 44.04 O ATOM 450 CB HIS A 29 3.231 -9.572 6.831 1.00 73.44 C ATOM 451 CG HIS A 29 1.751 -9.498 7.048 1.00 74.53 C ATOM 452 ND1 HIS A 29 0.958 -8.511 6.502 1.00 43.32 N ATOM 453 CD2 HIS A 29 0.919 -10.298 7.755 1.00 74.21 C ATOM 454 CE1 HIS A 29 -0.297 -8.705 6.865 1.00 22.14 C ATOM 455 NE2 HIS A 29 -0.348 -9.784 7.626 1.00 51.31 N ATOM 0 H HIS A 29 3.712 -11.334 8.510 1.00 54.12 H new ATOM 0 HA HIS A 29 3.025 -11.407 5.732 1.00 3.44 H new ATOM 0 HB2 HIS A 29 3.740 -9.255 7.741 1.00 73.44 H new ATOM 0 HB3 HIS A 29 3.511 -8.868 6.048 1.00 73.44 H new ATOM 0 HD2 HIS A 29 1.199 -11.177 8.316 1.00 74.21 H new ATOM 0 HE1 HIS A 29 -1.138 -8.087 6.587 1.00 22.14 H new ATOM 0 HE2 HIS A 29 -1.191 -10.172 8.049 1.00 51.31 H new ATOM 463 N PHE A 30 6.144 -10.912 6.600 1.00 55.42 N ATOM 464 CA PHE A 30 7.509 -10.827 6.094 1.00 12.04 C ATOM 465 C PHE A 30 7.945 -12.155 5.483 1.00 45.24 C ATOM 466 O PHE A 30 8.638 -12.185 4.464 1.00 1.44 O ATOM 467 CB PHE A 30 8.468 -10.431 7.219 1.00 52.32 C ATOM 468 CG PHE A 30 8.199 -9.065 7.783 1.00 54.12 C ATOM 469 CD1 PHE A 30 7.972 -7.986 6.943 1.00 72.52 C ATOM 470 CD2 PHE A 30 8.172 -8.859 9.153 1.00 71.43 C ATOM 471 CE1 PHE A 30 7.725 -6.729 7.459 1.00 14.42 C ATOM 472 CE2 PHE A 30 7.925 -7.604 9.675 1.00 11.30 C ATOM 473 CZ PHE A 30 7.700 -6.537 8.827 1.00 71.11 C ATOM 0 H PHE A 30 6.075 -11.003 7.614 1.00 55.42 H new ATOM 0 HA PHE A 30 7.536 -10.063 5.317 1.00 12.04 H new ATOM 0 HB2 PHE A 30 8.398 -11.166 8.021 1.00 52.32 H new ATOM 0 HB3 PHE A 30 9.490 -10.465 6.843 1.00 52.32 H new ATOM 0 HD1 PHE A 30 7.988 -8.130 5.873 1.00 72.52 H new ATOM 0 HD2 PHE A 30 8.346 -9.690 9.821 1.00 71.43 H new ATOM 0 HE1 PHE A 30 7.551 -5.896 6.793 1.00 14.42 H new ATOM 0 HE2 PHE A 30 7.908 -7.457 10.745 1.00 11.30 H new ATOM 0 HZ PHE A 30 7.505 -5.555 9.232 1.00 71.11 H new ATOM 483 N LEU A 31 7.536 -13.252 6.111 1.00 44.53 N ATOM 484 CA LEU A 31 7.885 -14.584 5.630 1.00 41.14 C ATOM 485 C LEU A 31 7.492 -14.754 4.166 1.00 63.24 C ATOM 486 O LEU A 31 8.233 -15.343 3.378 1.00 22.23 O ATOM 487 CB LEU A 31 7.197 -15.652 6.482 1.00 53.43 C ATOM 488 CG LEU A 31 8.082 -16.373 7.499 1.00 42.53 C ATOM 489 CD1 LEU A 31 8.833 -15.368 8.360 1.00 73.34 C ATOM 490 CD2 LEU A 31 7.248 -17.304 8.367 1.00 43.35 C ATOM 0 H LEU A 31 6.962 -13.245 6.954 1.00 44.53 H new ATOM 0 HA LEU A 31 8.965 -14.702 5.713 1.00 41.14 H new ATOM 0 HB2 LEU A 31 6.370 -15.184 7.017 1.00 53.43 H new ATOM 0 HB3 LEU A 31 6.764 -16.397 5.815 1.00 53.43 H new ATOM 0 HG LEU A 31 8.812 -16.973 6.956 1.00 42.53 H new ATOM 0 HD11 LEU A 31 9.458 -15.899 9.078 1.00 73.34 H new ATOM 0 HD12 LEU A 31 9.461 -14.743 7.725 1.00 73.34 H new ATOM 0 HD13 LEU A 31 8.119 -14.741 8.894 1.00 73.34 H new ATOM 0 HD21 LEU A 31 7.895 -17.809 9.085 1.00 43.35 H new ATOM 0 HD22 LEU A 31 6.494 -16.725 8.901 1.00 43.35 H new ATOM 0 HD23 LEU A 31 6.757 -18.046 7.737 1.00 43.35 H new ATOM 502 N ASP A 32 6.324 -14.233 3.808 1.00 70.35 N ATOM 503 CA ASP A 32 5.834 -14.325 2.437 1.00 11.41 C ATOM 504 C ASP A 32 6.633 -13.412 1.512 1.00 25.31 C ATOM 505 O ASP A 32 6.672 -13.620 0.300 1.00 2.02 O ATOM 506 CB ASP A 32 4.350 -13.958 2.378 1.00 42.21 C ATOM 507 CG ASP A 32 3.483 -14.927 3.156 1.00 33.32 C ATOM 508 OD1 ASP A 32 3.798 -16.136 3.158 1.00 74.00 O ATOM 509 OD2 ASP A 32 2.489 -14.477 3.764 1.00 23.32 O ATOM 0 H ASP A 32 5.699 -13.743 4.447 1.00 70.35 H new ATOM 0 HA ASP A 32 5.960 -15.354 2.100 1.00 11.41 H new ATOM 0 HB2 ASP A 32 4.211 -12.952 2.774 1.00 42.21 H new ATOM 0 HB3 ASP A 32 4.025 -13.938 1.338 1.00 42.21 H new ATOM 514 N GLY A 33 7.270 -12.400 2.093 1.00 1.31 N ATOM 515 CA GLY A 33 8.059 -11.470 1.306 1.00 10.02 C ATOM 516 C GLY A 33 9.322 -12.102 0.756 1.00 21.34 C ATOM 517 O GLY A 33 9.659 -11.918 -0.412 1.00 71.14 O ATOM 0 H GLY A 33 7.254 -12.207 3.095 1.00 1.31 H new ATOM 0 HA2 GLY A 33 7.455 -11.094 0.480 1.00 10.02 H new ATOM 0 HA3 GLY A 33 8.325 -10.611 1.923 1.00 10.02 H new ATOM 521 N GLY A 34 10.025 -12.849 1.602 1.00 30.54 N ATOM 522 CA GLY A 34 11.251 -13.498 1.177 1.00 64.13 C ATOM 523 C GLY A 34 10.995 -14.680 0.263 1.00 21.43 C ATOM 524 O GLY A 34 11.505 -14.730 -0.856 1.00 13.44 O ATOM 0 H GLY A 34 9.767 -13.016 2.575 1.00 30.54 H new ATOM 0 HA2 GLY A 34 11.882 -12.774 0.661 1.00 64.13 H new ATOM 0 HA3 GLY A 34 11.803 -13.834 2.054 1.00 64.13 H new ATOM 528 N GLU A 35 10.204 -15.636 0.742 1.00 4.21 N ATOM 529 CA GLU A 35 9.884 -16.825 -0.039 1.00 43.53 C ATOM 530 C GLU A 35 9.364 -16.443 -1.422 1.00 52.31 C ATOM 531 O GLU A 35 9.462 -17.221 -2.370 1.00 74.12 O ATOM 532 CB GLU A 35 8.845 -17.678 0.691 1.00 3.31 C ATOM 533 CG GLU A 35 9.276 -18.100 2.086 1.00 62.14 C ATOM 534 CD GLU A 35 10.084 -19.384 2.083 1.00 15.31 C ATOM 535 OE1 GLU A 35 11.212 -19.373 1.547 1.00 33.04 O ATOM 536 OE2 GLU A 35 9.588 -20.398 2.616 1.00 73.20 O ATOM 0 H GLU A 35 9.774 -15.610 1.666 1.00 4.21 H new ATOM 0 HA GLU A 35 10.798 -17.405 -0.161 1.00 43.53 H new ATOM 0 HB2 GLU A 35 7.912 -17.118 0.762 1.00 3.31 H new ATOM 0 HB3 GLU A 35 8.638 -18.569 0.099 1.00 3.31 H new ATOM 0 HG2 GLU A 35 9.868 -17.303 2.536 1.00 62.14 H new ATOM 0 HG3 GLU A 35 8.393 -18.232 2.711 1.00 62.14 H new ATOM 543 N MET A 36 8.810 -15.239 -1.528 1.00 30.32 N ATOM 544 CA MET A 36 8.274 -14.754 -2.794 1.00 44.43 C ATOM 545 C MET A 36 9.355 -14.738 -3.871 1.00 53.40 C ATOM 546 O MET A 36 9.062 -14.882 -5.058 1.00 64.54 O ATOM 547 CB MET A 36 7.690 -13.350 -2.621 1.00 20.32 C ATOM 548 CG MET A 36 6.170 -13.321 -2.616 1.00 63.23 C ATOM 549 SD MET A 36 5.480 -12.829 -4.208 1.00 23.22 S ATOM 550 CE MET A 36 5.167 -14.429 -4.950 1.00 13.11 C ATOM 0 H MET A 36 8.721 -14.582 -0.753 1.00 30.32 H new ATOM 0 HA MET A 36 7.482 -15.433 -3.109 1.00 44.43 H new ATOM 0 HB2 MET A 36 8.057 -12.925 -1.686 1.00 20.32 H new ATOM 0 HB3 MET A 36 8.055 -12.712 -3.426 1.00 20.32 H new ATOM 0 HG2 MET A 36 5.792 -14.308 -2.350 1.00 63.23 H new ATOM 0 HG3 MET A 36 5.826 -12.630 -1.846 1.00 63.23 H new ATOM 0 HE1 MET A 36 4.738 -14.292 -5.942 1.00 13.11 H new ATOM 0 HE2 MET A 36 6.103 -14.981 -5.033 1.00 13.11 H new ATOM 0 HE3 MET A 36 4.469 -14.989 -4.327 1.00 13.11 H new ATOM 560 N ILE A 37 10.602 -14.561 -3.449 1.00 0.52 N ATOM 561 CA ILE A 37 11.725 -14.527 -4.378 1.00 12.43 C ATOM 562 C ILE A 37 12.134 -15.934 -4.797 1.00 60.40 C ATOM 563 O ILE A 37 12.707 -16.133 -5.869 1.00 14.04 O ATOM 564 CB ILE A 37 12.943 -13.812 -3.763 1.00 14.21 C ATOM 565 CG1 ILE A 37 13.905 -13.360 -4.863 1.00 41.31 C ATOM 566 CG2 ILE A 37 13.651 -14.727 -2.775 1.00 51.11 C ATOM 567 CD1 ILE A 37 15.041 -12.499 -4.356 1.00 21.20 C ATOM 0 H ILE A 37 10.861 -14.439 -2.470 1.00 0.52 H new ATOM 0 HA ILE A 37 11.393 -13.971 -5.255 1.00 12.43 H new ATOM 0 HB ILE A 37 12.595 -12.930 -3.226 1.00 14.21 H new ATOM 0 HG12 ILE A 37 14.319 -14.239 -5.357 1.00 41.31 H new ATOM 0 HG13 ILE A 37 13.347 -12.804 -5.617 1.00 41.31 H new ATOM 0 HG21 ILE A 37 14.509 -14.208 -2.349 1.00 51.11 H new ATOM 0 HG22 ILE A 37 12.962 -15.004 -1.977 1.00 51.11 H new ATOM 0 HG23 ILE A 37 13.990 -15.626 -3.290 1.00 51.11 H new ATOM 0 HD11 ILE A 37 15.683 -12.216 -5.190 1.00 21.20 H new ATOM 0 HD12 ILE A 37 14.636 -11.601 -3.888 1.00 21.20 H new ATOM 0 HD13 ILE A 37 15.623 -13.059 -3.624 1.00 21.20 H new ATOM 579 N VAL A 38 11.835 -16.910 -3.945 1.00 72.24 N ATOM 580 CA VAL A 38 12.169 -18.301 -4.228 1.00 74.04 C ATOM 581 C VAL A 38 11.459 -18.792 -5.485 1.00 52.21 C ATOM 582 O VAL A 38 12.057 -19.460 -6.329 1.00 52.34 O ATOM 583 CB VAL A 38 11.795 -19.219 -3.049 1.00 40.03 C ATOM 584 CG1 VAL A 38 12.082 -20.673 -3.392 1.00 42.24 C ATOM 585 CG2 VAL A 38 12.543 -18.802 -1.792 1.00 53.40 C ATOM 0 H VAL A 38 11.362 -16.763 -3.053 1.00 72.24 H new ATOM 0 HA VAL A 38 13.247 -18.342 -4.383 1.00 74.04 H new ATOM 0 HB VAL A 38 10.726 -19.120 -2.859 1.00 40.03 H new ATOM 0 HG11 VAL A 38 11.811 -21.306 -2.547 1.00 42.24 H new ATOM 0 HG12 VAL A 38 11.497 -20.963 -4.265 1.00 42.24 H new ATOM 0 HG13 VAL A 38 13.143 -20.793 -3.610 1.00 42.24 H new ATOM 0 HG21 VAL A 38 12.267 -19.461 -0.969 1.00 53.40 H new ATOM 0 HG22 VAL A 38 13.617 -18.871 -1.968 1.00 53.40 H new ATOM 0 HG23 VAL A 38 12.282 -17.775 -1.537 1.00 53.40 H new ATOM 595 N THR A 39 10.178 -18.456 -5.604 1.00 51.01 N ATOM 596 CA THR A 39 9.385 -18.863 -6.757 1.00 41.35 C ATOM 597 C THR A 39 10.088 -18.504 -8.062 1.00 11.02 C ATOM 598 O THR A 39 9.920 -19.182 -9.075 1.00 55.51 O ATOM 599 CB THR A 39 7.992 -18.206 -6.741 1.00 33.30 C ATOM 600 OG1 THR A 39 7.137 -18.847 -7.695 1.00 43.42 O ATOM 601 CG2 THR A 39 8.089 -16.721 -7.056 1.00 63.31 C ATOM 0 H THR A 39 9.668 -17.903 -4.915 1.00 51.01 H new ATOM 0 HA THR A 39 9.269 -19.945 -6.695 1.00 41.35 H new ATOM 0 HB THR A 39 7.572 -18.322 -5.742 1.00 33.30 H new ATOM 0 HG1 THR A 39 6.253 -18.425 -7.678 1.00 43.42 H new ATOM 0 HG21 THR A 39 7.093 -16.280 -7.039 1.00 63.31 H new ATOM 0 HG22 THR A 39 8.716 -16.231 -6.311 1.00 63.31 H new ATOM 0 HG23 THR A 39 8.528 -16.587 -8.045 1.00 63.31 H new ATOM 609 N ALA A 40 10.877 -17.435 -8.029 1.00 14.20 N ATOM 610 CA ALA A 40 11.607 -16.988 -9.208 1.00 63.14 C ATOM 611 C ALA A 40 12.775 -17.919 -9.516 1.00 71.42 C ATOM 612 O ALA A 40 13.017 -18.266 -10.672 1.00 35.10 O ATOM 613 CB ALA A 40 12.103 -15.563 -9.014 1.00 24.05 C ATOM 0 H ALA A 40 11.027 -16.863 -7.198 1.00 14.20 H new ATOM 0 HA ALA A 40 10.924 -17.010 -10.057 1.00 63.14 H new ATOM 0 HB1 ALA A 40 12.647 -15.243 -9.903 1.00 24.05 H new ATOM 0 HB2 ALA A 40 11.253 -14.901 -8.850 1.00 24.05 H new ATOM 0 HB3 ALA A 40 12.766 -15.523 -8.149 1.00 24.05 H new ATOM 619 N ALA A 41 13.496 -18.320 -8.475 1.00 25.33 N ATOM 620 CA ALA A 41 14.638 -19.212 -8.634 1.00 61.42 C ATOM 621 C ALA A 41 14.184 -20.642 -8.909 1.00 55.24 C ATOM 622 O ALA A 41 14.887 -21.411 -9.564 1.00 11.24 O ATOM 623 CB ALA A 41 15.521 -19.166 -7.396 1.00 30.41 C ATOM 0 H ALA A 41 13.310 -18.041 -7.512 1.00 25.33 H new ATOM 0 HA ALA A 41 15.217 -18.871 -9.492 1.00 61.42 H new ATOM 0 HB1 ALA A 41 16.370 -19.837 -7.529 1.00 30.41 H new ATOM 0 HB2 ALA A 41 15.883 -18.149 -7.245 1.00 30.41 H new ATOM 0 HB3 ALA A 41 14.944 -19.479 -6.526 1.00 30.41 H new ATOM 629 N GLU A 42 13.004 -20.990 -8.405 1.00 20.31 N ATOM 630 CA GLU A 42 12.458 -22.329 -8.596 1.00 14.30 C ATOM 631 C GLU A 42 11.841 -22.472 -9.985 1.00 1.44 C ATOM 632 O GLU A 42 11.722 -23.577 -10.513 1.00 65.13 O ATOM 633 CB GLU A 42 11.407 -22.632 -7.526 1.00 31.32 C ATOM 634 CG GLU A 42 11.989 -22.800 -6.132 1.00 75.22 C ATOM 635 CD GLU A 42 11.949 -24.238 -5.653 1.00 64.41 C ATOM 636 OE1 GLU A 42 12.845 -25.017 -6.042 1.00 71.21 O ATOM 637 OE2 GLU A 42 11.024 -24.585 -4.890 1.00 30.11 O ATOM 0 H GLU A 42 12.409 -20.364 -7.862 1.00 20.31 H new ATOM 0 HA GLU A 42 13.276 -23.044 -8.505 1.00 14.30 H new ATOM 0 HB2 GLU A 42 10.674 -21.825 -7.510 1.00 31.32 H new ATOM 0 HB3 GLU A 42 10.873 -23.542 -7.800 1.00 31.32 H new ATOM 0 HG2 GLU A 42 13.021 -22.448 -6.128 1.00 75.22 H new ATOM 0 HG3 GLU A 42 11.436 -22.173 -5.433 1.00 75.22 H new ATOM 644 N LYS A 43 11.449 -21.345 -10.570 1.00 64.02 N ATOM 645 CA LYS A 43 10.846 -21.342 -11.897 1.00 54.13 C ATOM 646 C LYS A 43 11.901 -21.114 -12.975 1.00 11.12 C ATOM 647 O LYS A 43 11.716 -21.501 -14.128 1.00 63.01 O ATOM 648 CB LYS A 43 9.768 -20.259 -11.987 1.00 74.31 C ATOM 649 CG LYS A 43 8.389 -20.737 -11.564 1.00 3.22 C ATOM 650 CD LYS A 43 7.638 -19.662 -10.797 1.00 10.43 C ATOM 651 CE LYS A 43 6.163 -19.639 -11.169 1.00 4.21 C ATOM 652 NZ LYS A 43 5.508 -18.365 -10.763 1.00 5.43 N ATOM 0 H LYS A 43 11.538 -20.422 -10.145 1.00 64.02 H new ATOM 0 HA LYS A 43 10.388 -22.317 -12.062 1.00 54.13 H new ATOM 0 HB2 LYS A 43 10.059 -19.416 -11.361 1.00 74.31 H new ATOM 0 HB3 LYS A 43 9.718 -19.892 -13.012 1.00 74.31 H new ATOM 0 HG2 LYS A 43 7.816 -21.024 -12.446 1.00 3.22 H new ATOM 0 HG3 LYS A 43 8.486 -21.628 -10.943 1.00 3.22 H new ATOM 0 HD2 LYS A 43 7.742 -19.838 -9.726 1.00 10.43 H new ATOM 0 HD3 LYS A 43 8.082 -18.688 -11.004 1.00 10.43 H new ATOM 0 HE2 LYS A 43 6.058 -19.774 -12.245 1.00 4.21 H new ATOM 0 HE3 LYS A 43 5.655 -20.477 -10.691 1.00 4.21 H new ATOM 0 HZ1 LYS A 43 4.504 -18.389 -11.034 1.00 5.43 H new ATOM 0 HZ2 LYS A 43 5.586 -18.248 -9.733 1.00 5.43 H new ATOM 0 HZ3 LYS A 43 5.976 -17.567 -11.238 1.00 5.43 H new ATOM 666 N GLU A 44 13.007 -20.485 -12.590 1.00 10.11 N ATOM 667 CA GLU A 44 14.091 -20.207 -13.524 1.00 44.13 C ATOM 668 C GLU A 44 15.225 -21.215 -13.358 1.00 12.02 C ATOM 669 O GLU A 44 15.115 -22.167 -12.586 1.00 13.24 O ATOM 670 CB GLU A 44 14.622 -18.787 -13.316 1.00 63.02 C ATOM 671 CG GLU A 44 15.568 -18.658 -12.134 1.00 15.14 C ATOM 672 CD GLU A 44 15.528 -17.279 -11.503 1.00 63.32 C ATOM 673 OE1 GLU A 44 14.798 -16.409 -12.022 1.00 62.53 O ATOM 674 OE2 GLU A 44 16.228 -17.071 -10.490 1.00 1.10 O ATOM 0 H GLU A 44 13.176 -20.159 -11.638 1.00 10.11 H new ATOM 0 HA GLU A 44 13.695 -20.295 -14.536 1.00 44.13 H new ATOM 0 HB2 GLU A 44 15.138 -18.465 -14.220 1.00 63.02 H new ATOM 0 HB3 GLU A 44 13.780 -18.111 -13.172 1.00 63.02 H new ATOM 0 HG2 GLU A 44 15.309 -19.405 -11.383 1.00 15.14 H new ATOM 0 HG3 GLU A 44 16.585 -18.874 -12.462 1.00 15.14 H new ATOM 681 N ALA A 45 16.314 -20.998 -14.089 1.00 35.44 N ATOM 682 CA ALA A 45 17.468 -21.886 -14.022 1.00 33.05 C ATOM 683 C ALA A 45 18.628 -21.341 -14.848 1.00 31.42 C ATOM 684 O ALA A 45 18.425 -20.580 -15.794 1.00 23.14 O ATOM 685 CB ALA A 45 17.089 -23.281 -14.496 1.00 32.24 C ATOM 0 H ALA A 45 16.421 -20.215 -14.734 1.00 35.44 H new ATOM 0 HA ALA A 45 17.792 -21.943 -12.983 1.00 33.05 H new ATOM 0 HB1 ALA A 45 17.960 -23.933 -14.441 1.00 32.24 H new ATOM 0 HB2 ALA A 45 16.297 -23.678 -13.861 1.00 32.24 H new ATOM 0 HB3 ALA A 45 16.737 -23.232 -15.527 1.00 32.24 H new ATOM 691 N SER A 46 19.844 -21.736 -14.484 1.00 10.21 N ATOM 692 CA SER A 46 21.037 -21.283 -15.189 1.00 63.22 C ATOM 693 C SER A 46 21.203 -19.772 -15.061 1.00 65.04 C ATOM 694 O SER A 46 21.677 -19.109 -15.984 1.00 60.50 O ATOM 695 CB SER A 46 20.963 -21.676 -16.666 1.00 33.52 C ATOM 696 OG SER A 46 22.235 -21.585 -17.283 1.00 21.22 O ATOM 0 H SER A 46 20.029 -22.368 -13.705 1.00 10.21 H new ATOM 0 HA SER A 46 21.902 -21.766 -14.735 1.00 63.22 H new ATOM 0 HB2 SER A 46 20.584 -22.694 -16.756 1.00 33.52 H new ATOM 0 HB3 SER A 46 20.257 -21.026 -17.183 1.00 33.52 H new ATOM 0 HG SER A 46 22.602 -20.687 -17.145 1.00 21.22 H new ATOM 702 N GLN A 47 20.810 -19.235 -13.911 1.00 51.01 N ATOM 703 CA GLN A 47 20.914 -17.802 -13.662 1.00 63.04 C ATOM 704 C GLN A 47 21.983 -17.508 -12.615 1.00 43.21 C ATOM 705 O GLN A 47 22.191 -18.290 -11.688 1.00 25.43 O ATOM 706 CB GLN A 47 19.566 -17.243 -13.203 1.00 64.14 C ATOM 707 CG GLN A 47 19.327 -15.804 -13.631 1.00 22.03 C ATOM 708 CD GLN A 47 19.123 -15.666 -15.126 1.00 43.45 C ATOM 709 OE1 GLN A 47 20.082 -15.683 -15.900 1.00 15.24 O ATOM 710 NE2 GLN A 47 17.870 -15.527 -15.543 1.00 70.31 N ATOM 0 H GLN A 47 20.417 -19.770 -13.137 1.00 51.01 H new ATOM 0 HA GLN A 47 21.201 -17.317 -14.595 1.00 63.04 H new ATOM 0 HB2 GLN A 47 18.768 -17.869 -13.601 1.00 64.14 H new ATOM 0 HB3 GLN A 47 19.507 -17.305 -12.116 1.00 64.14 H new ATOM 0 HG2 GLN A 47 18.451 -15.415 -13.111 1.00 22.03 H new ATOM 0 HG3 GLN A 47 20.176 -15.193 -13.326 1.00 22.03 H new ATOM 0 HE21 GLN A 47 17.106 -15.518 -14.868 1.00 70.31 H new ATOM 0 HE22 GLN A 47 17.672 -15.429 -16.539 1.00 70.31 H new ATOM 719 N LYS A 48 22.659 -16.374 -12.769 1.00 65.44 N ATOM 720 CA LYS A 48 23.707 -15.975 -11.837 1.00 61.02 C ATOM 721 C LYS A 48 23.107 -15.388 -10.563 1.00 62.34 C ATOM 722 O LYS A 48 23.657 -15.552 -9.474 1.00 34.01 O ATOM 723 CB LYS A 48 24.639 -14.953 -12.492 1.00 71.15 C ATOM 724 CG LYS A 48 25.189 -15.404 -13.834 1.00 63.43 C ATOM 725 CD LYS A 48 26.581 -14.847 -14.082 1.00 70.11 C ATOM 726 CE LYS A 48 27.640 -15.935 -13.998 1.00 62.53 C ATOM 727 NZ LYS A 48 28.961 -15.393 -13.575 1.00 12.21 N ATOM 0 H LYS A 48 22.499 -15.715 -13.531 1.00 65.44 H new ATOM 0 HA LYS A 48 24.281 -16.863 -11.572 1.00 61.02 H new ATOM 0 HB2 LYS A 48 24.099 -14.016 -12.626 1.00 71.15 H new ATOM 0 HB3 LYS A 48 25.471 -14.748 -11.818 1.00 71.15 H new ATOM 0 HG2 LYS A 48 25.221 -16.493 -13.868 1.00 63.43 H new ATOM 0 HG3 LYS A 48 24.519 -15.080 -14.630 1.00 63.43 H new ATOM 0 HD2 LYS A 48 26.617 -14.378 -15.066 1.00 70.11 H new ATOM 0 HD3 LYS A 48 26.798 -14.069 -13.350 1.00 70.11 H new ATOM 0 HE2 LYS A 48 27.319 -16.700 -13.292 1.00 62.53 H new ATOM 0 HE3 LYS A 48 27.741 -16.419 -14.969 1.00 62.53 H new ATOM 0 HZ1 LYS A 48 29.655 -16.166 -13.530 1.00 12.21 H new ATOM 0 HZ2 LYS A 48 29.280 -14.681 -14.262 1.00 12.21 H new ATOM 0 HZ3 LYS A 48 28.871 -14.953 -12.637 1.00 12.21 H new ATOM 741 N VAL A 49 21.976 -14.705 -10.707 1.00 70.25 N ATOM 742 CA VAL A 49 21.300 -14.096 -9.568 1.00 21.50 C ATOM 743 C VAL A 49 20.525 -15.138 -8.768 1.00 52.45 C ATOM 744 O VAL A 49 20.459 -15.070 -7.541 1.00 23.00 O ATOM 745 CB VAL A 49 20.333 -12.985 -10.017 1.00 73.32 C ATOM 746 CG1 VAL A 49 21.094 -11.857 -10.696 1.00 12.55 C ATOM 747 CG2 VAL A 49 19.265 -13.551 -10.942 1.00 2.32 C ATOM 0 H VAL A 49 21.508 -14.560 -11.602 1.00 70.25 H new ATOM 0 HA VAL A 49 22.074 -13.659 -8.937 1.00 21.50 H new ATOM 0 HB VAL A 49 19.839 -12.578 -9.135 1.00 73.32 H new ATOM 0 HG11 VAL A 49 20.394 -11.081 -11.006 1.00 12.55 H new ATOM 0 HG12 VAL A 49 21.818 -11.435 -9.999 1.00 12.55 H new ATOM 0 HG13 VAL A 49 21.616 -12.245 -11.570 1.00 12.55 H new ATOM 0 HG21 VAL A 49 18.590 -12.752 -11.250 1.00 2.32 H new ATOM 0 HG22 VAL A 49 19.739 -13.985 -11.822 1.00 2.32 H new ATOM 0 HG23 VAL A 49 18.700 -14.321 -10.417 1.00 2.32 H new ATOM 757 N ARG A 50 19.939 -16.101 -9.473 1.00 1.43 N ATOM 758 CA ARG A 50 19.167 -17.156 -8.829 1.00 22.44 C ATOM 759 C ARG A 50 19.890 -17.681 -7.591 1.00 50.23 C ATOM 760 O ARG A 50 19.281 -17.873 -6.540 1.00 3.34 O ATOM 761 CB ARG A 50 18.914 -18.303 -9.809 1.00 65.21 C ATOM 762 CG ARG A 50 18.141 -19.463 -9.203 1.00 52.04 C ATOM 763 CD ARG A 50 18.768 -20.800 -9.565 1.00 70.31 C ATOM 764 NE ARG A 50 19.718 -21.251 -8.552 1.00 32.34 N ATOM 765 CZ ARG A 50 20.096 -22.517 -8.411 1.00 4.24 C ATOM 766 NH1 ARG A 50 19.609 -23.452 -9.214 1.00 54.43 N ATOM 767 NH2 ARG A 50 20.965 -22.849 -7.464 1.00 61.23 N ATOM 0 H ARG A 50 19.985 -16.172 -10.490 1.00 1.43 H new ATOM 0 HA ARG A 50 18.211 -16.734 -8.519 1.00 22.44 H new ATOM 0 HB2 ARG A 50 18.364 -17.920 -10.669 1.00 65.21 H new ATOM 0 HB3 ARG A 50 19.871 -18.670 -10.181 1.00 65.21 H new ATOM 0 HG2 ARG A 50 18.112 -19.355 -8.119 1.00 52.04 H new ATOM 0 HG3 ARG A 50 17.109 -19.437 -9.554 1.00 52.04 H new ATOM 0 HD2 ARG A 50 17.984 -21.548 -9.685 1.00 70.31 H new ATOM 0 HD3 ARG A 50 19.276 -20.714 -10.526 1.00 70.31 H new ATOM 0 HE ARG A 50 20.113 -20.556 -7.918 1.00 32.34 H new ATOM 0 HH11 ARG A 50 18.942 -23.201 -9.943 1.00 54.43 H new ATOM 0 HH12 ARG A 50 19.902 -24.423 -9.103 1.00 54.43 H new ATOM 0 HH21 ARG A 50 21.343 -22.132 -6.844 1.00 61.23 H new ATOM 0 HH22 ARG A 50 21.255 -23.821 -7.356 1.00 61.23 H new ATOM 781 N ASN A 51 21.192 -17.911 -7.726 1.00 1.20 N ATOM 782 CA ASN A 51 21.998 -18.414 -6.619 1.00 72.14 C ATOM 783 C ASN A 51 21.837 -17.533 -5.384 1.00 51.25 C ATOM 784 O ASN A 51 21.603 -18.028 -4.281 1.00 50.20 O ATOM 785 CB ASN A 51 23.472 -18.481 -7.024 1.00 11.24 C ATOM 786 CG ASN A 51 24.385 -18.739 -5.840 1.00 52.34 C ATOM 787 OD1 ASN A 51 24.600 -17.860 -5.005 1.00 62.23 O ATOM 788 ND2 ASN A 51 24.926 -19.949 -5.764 1.00 45.30 N ATOM 0 H ASN A 51 21.711 -17.757 -8.590 1.00 1.20 H new ATOM 0 HA ASN A 51 21.649 -19.417 -6.375 1.00 72.14 H new ATOM 0 HB2 ASN A 51 23.608 -19.271 -7.763 1.00 11.24 H new ATOM 0 HB3 ASN A 51 23.758 -17.544 -7.503 1.00 11.24 H new ATOM 0 HD21 ASN A 51 25.549 -20.182 -4.990 1.00 45.30 H new ATOM 0 HD22 ASN A 51 24.719 -20.646 -6.479 1.00 45.30 H new ATOM 795 N LEU A 52 21.963 -16.225 -5.578 1.00 1.43 N ATOM 796 CA LEU A 52 21.831 -15.273 -4.480 1.00 40.20 C ATOM 797 C LEU A 52 20.372 -15.122 -4.063 1.00 54.51 C ATOM 798 O LEU A 52 20.072 -14.843 -2.901 1.00 63.50 O ATOM 799 CB LEU A 52 22.401 -13.913 -4.887 1.00 13.31 C ATOM 800 CG LEU A 52 22.670 -12.929 -3.747 1.00 75.42 C ATOM 801 CD1 LEU A 52 23.889 -13.360 -2.947 1.00 71.20 C ATOM 802 CD2 LEU A 52 22.857 -11.521 -4.291 1.00 52.32 C ATOM 0 H LEU A 52 22.156 -15.799 -6.485 1.00 1.43 H new ATOM 0 HA LEU A 52 22.395 -15.656 -3.629 1.00 40.20 H new ATOM 0 HB2 LEU A 52 23.334 -14.079 -5.425 1.00 13.31 H new ATOM 0 HB3 LEU A 52 21.708 -13.446 -5.587 1.00 13.31 H new ATOM 0 HG LEU A 52 21.806 -12.928 -3.082 1.00 75.42 H new ATOM 0 HD11 LEU A 52 24.065 -12.648 -2.140 1.00 71.20 H new ATOM 0 HD12 LEU A 52 23.716 -14.350 -2.526 1.00 71.20 H new ATOM 0 HD13 LEU A 52 24.761 -13.391 -3.601 1.00 71.20 H new ATOM 0 HD21 LEU A 52 23.047 -10.835 -3.466 1.00 52.32 H new ATOM 0 HD22 LEU A 52 23.703 -11.506 -4.978 1.00 52.32 H new ATOM 0 HD23 LEU A 52 21.955 -11.212 -4.819 1.00 52.32 H new ATOM 814 N LEU A 53 19.467 -15.308 -5.018 1.00 32.24 N ATOM 815 CA LEU A 53 18.037 -15.195 -4.749 1.00 43.14 C ATOM 816 C LEU A 53 17.600 -16.202 -3.691 1.00 23.33 C ATOM 817 O LEU A 53 16.842 -15.871 -2.779 1.00 14.13 O ATOM 818 CB LEU A 53 17.238 -15.411 -6.036 1.00 3.11 C ATOM 819 CG LEU A 53 16.899 -14.152 -6.835 1.00 23.01 C ATOM 820 CD1 LEU A 53 18.006 -13.118 -6.697 1.00 64.45 C ATOM 821 CD2 LEU A 53 16.667 -14.496 -8.299 1.00 10.01 C ATOM 0 H LEU A 53 19.698 -15.538 -5.985 1.00 32.24 H new ATOM 0 HA LEU A 53 17.842 -14.192 -4.371 1.00 43.14 H new ATOM 0 HB2 LEU A 53 17.801 -16.086 -6.681 1.00 3.11 H new ATOM 0 HB3 LEU A 53 16.307 -15.917 -5.781 1.00 3.11 H new ATOM 0 HG LEU A 53 15.980 -13.726 -6.433 1.00 23.01 H new ATOM 0 HD11 LEU A 53 17.747 -12.229 -7.272 1.00 64.45 H new ATOM 0 HD12 LEU A 53 18.124 -12.849 -5.647 1.00 64.45 H new ATOM 0 HD13 LEU A 53 18.941 -13.534 -7.072 1.00 64.45 H new ATOM 0 HD21 LEU A 53 16.427 -13.588 -8.852 1.00 10.01 H new ATOM 0 HD22 LEU A 53 17.569 -14.946 -8.714 1.00 10.01 H new ATOM 0 HD23 LEU A 53 15.839 -15.200 -8.380 1.00 10.01 H new ATOM 833 N LEU A 54 18.085 -17.433 -3.816 1.00 43.55 N ATOM 834 CA LEU A 54 17.747 -18.489 -2.869 1.00 11.11 C ATOM 835 C LEU A 54 18.523 -18.322 -1.567 1.00 5.32 C ATOM 836 O LEU A 54 17.969 -18.470 -0.477 1.00 53.44 O ATOM 837 CB LEU A 54 18.040 -19.861 -3.478 1.00 42.14 C ATOM 838 CG LEU A 54 17.194 -20.251 -4.691 1.00 25.51 C ATOM 839 CD1 LEU A 54 17.869 -21.366 -5.475 1.00 71.15 C ATOM 840 CD2 LEU A 54 15.799 -20.673 -4.254 1.00 50.13 C ATOM 0 H LEU A 54 18.714 -17.724 -4.565 1.00 43.55 H new ATOM 0 HA LEU A 54 16.682 -18.417 -2.648 1.00 11.11 H new ATOM 0 HB2 LEU A 54 19.090 -19.891 -3.768 1.00 42.14 H new ATOM 0 HB3 LEU A 54 17.901 -20.617 -2.705 1.00 42.14 H new ATOM 0 HG LEU A 54 17.102 -19.381 -5.341 1.00 25.51 H new ATOM 0 HD11 LEU A 54 17.253 -21.631 -6.334 1.00 71.15 H new ATOM 0 HD12 LEU A 54 18.847 -21.028 -5.819 1.00 71.15 H new ATOM 0 HD13 LEU A 54 17.992 -22.239 -4.834 1.00 71.15 H new ATOM 0 HD21 LEU A 54 15.211 -20.947 -5.130 1.00 50.13 H new ATOM 0 HD22 LEU A 54 15.871 -21.529 -3.583 1.00 50.13 H new ATOM 0 HD23 LEU A 54 15.314 -19.846 -3.736 1.00 50.13 H new ATOM 852 N HIS A 55 19.810 -18.010 -1.687 1.00 22.31 N ATOM 853 CA HIS A 55 20.663 -17.820 -0.519 1.00 11.31 C ATOM 854 C HIS A 55 20.134 -16.692 0.362 1.00 51.44 C ATOM 855 O HIS A 55 19.998 -16.849 1.575 1.00 14.52 O ATOM 856 CB HIS A 55 22.097 -17.514 -0.953 1.00 31.35 C ATOM 857 CG HIS A 55 22.995 -17.126 0.181 1.00 45.21 C ATOM 858 ND1 HIS A 55 23.570 -18.044 1.035 1.00 50.34 N ATOM 859 CD2 HIS A 55 23.419 -15.910 0.598 1.00 1.21 C ATOM 860 CE1 HIS A 55 24.307 -17.409 1.929 1.00 74.11 C ATOM 861 NE2 HIS A 55 24.232 -16.113 1.686 1.00 44.12 N ATOM 0 H HIS A 55 20.285 -17.883 -2.581 1.00 22.31 H new ATOM 0 HA HIS A 55 20.656 -18.744 0.060 1.00 11.31 H new ATOM 0 HB2 HIS A 55 22.512 -18.390 -1.451 1.00 31.35 H new ATOM 0 HB3 HIS A 55 22.082 -16.708 -1.686 1.00 31.35 H new ATOM 0 HD2 HIS A 55 23.165 -14.957 0.157 1.00 1.21 H new ATOM 0 HE1 HIS A 55 24.874 -17.871 2.723 1.00 74.11 H new ATOM 0 HE2 HIS A 55 24.702 -15.382 2.220 1.00 44.12 H new ATOM 869 N LYS A 56 19.838 -15.554 -0.257 1.00 41.42 N ATOM 870 CA LYS A 56 19.324 -14.399 0.469 1.00 53.42 C ATOM 871 C LYS A 56 17.903 -14.654 0.961 1.00 54.23 C ATOM 872 O LYS A 56 17.523 -14.216 2.046 1.00 30.20 O ATOM 873 CB LYS A 56 19.350 -13.156 -0.424 1.00 2.11 C ATOM 874 CG LYS A 56 20.746 -12.605 -0.658 1.00 1.31 C ATOM 875 CD LYS A 56 21.277 -11.891 0.574 1.00 45.02 C ATOM 876 CE LYS A 56 21.732 -10.477 0.246 1.00 60.02 C ATOM 877 NZ LYS A 56 22.151 -9.732 1.465 1.00 33.14 N ATOM 0 H LYS A 56 19.945 -15.407 -1.261 1.00 41.42 H new ATOM 0 HA LYS A 56 19.965 -14.231 1.334 1.00 53.42 H new ATOM 0 HB2 LYS A 56 18.899 -13.400 -1.386 1.00 2.11 H new ATOM 0 HB3 LYS A 56 18.733 -12.380 0.030 1.00 2.11 H new ATOM 0 HG2 LYS A 56 21.419 -13.419 -0.926 1.00 1.31 H new ATOM 0 HG3 LYS A 56 20.729 -11.914 -1.501 1.00 1.31 H new ATOM 0 HD2 LYS A 56 20.501 -11.856 1.339 1.00 45.02 H new ATOM 0 HD3 LYS A 56 22.111 -12.455 0.992 1.00 45.02 H new ATOM 0 HE2 LYS A 56 22.563 -10.517 -0.458 1.00 60.02 H new ATOM 0 HE3 LYS A 56 20.922 -9.940 -0.247 1.00 60.02 H new ATOM 0 HZ1 LYS A 56 22.454 -8.773 1.199 1.00 33.14 H new ATOM 0 HZ2 LYS A 56 21.351 -9.671 2.127 1.00 33.14 H new ATOM 0 HZ3 LYS A 56 22.941 -10.230 1.922 1.00 33.14 H new ATOM 891 N GLY A 57 17.121 -15.367 0.155 1.00 41.41 N ATOM 892 CA GLY A 57 15.751 -15.669 0.527 1.00 42.24 C ATOM 893 C GLY A 57 15.649 -16.298 1.902 1.00 11.40 C ATOM 894 O GLY A 57 14.854 -15.861 2.735 1.00 25.43 O ATOM 0 H GLY A 57 17.412 -15.741 -0.748 1.00 41.41 H new ATOM 0 HA2 GLY A 57 15.161 -14.752 0.506 1.00 42.24 H new ATOM 0 HA3 GLY A 57 15.318 -16.344 -0.211 1.00 42.24 H new ATOM 898 N LYS A 58 16.454 -17.327 2.141 1.00 33.53 N ATOM 899 CA LYS A 58 16.451 -18.019 3.425 1.00 62.01 C ATOM 900 C LYS A 58 17.176 -17.198 4.487 1.00 62.24 C ATOM 901 O LYS A 58 16.853 -17.276 5.671 1.00 21.13 O ATOM 902 CB LYS A 58 17.111 -19.393 3.289 1.00 43.04 C ATOM 903 CG LYS A 58 18.068 -19.723 4.421 1.00 62.10 C ATOM 904 CD LYS A 58 19.443 -19.122 4.182 1.00 23.40 C ATOM 905 CE LYS A 58 20.488 -20.201 3.940 1.00 42.23 C ATOM 906 NZ LYS A 58 20.363 -20.799 2.582 1.00 44.14 N ATOM 0 H LYS A 58 17.117 -17.701 1.462 1.00 33.53 H new ATOM 0 HA LYS A 58 15.415 -18.150 3.736 1.00 62.01 H new ATOM 0 HB2 LYS A 58 16.335 -20.157 3.246 1.00 43.04 H new ATOM 0 HB3 LYS A 58 17.652 -19.435 2.343 1.00 43.04 H new ATOM 0 HG2 LYS A 58 17.664 -19.347 5.361 1.00 62.10 H new ATOM 0 HG3 LYS A 58 18.155 -20.805 4.521 1.00 62.10 H new ATOM 0 HD2 LYS A 58 19.404 -18.452 3.323 1.00 23.40 H new ATOM 0 HD3 LYS A 58 19.733 -18.520 5.043 1.00 23.40 H new ATOM 0 HE2 LYS A 58 21.484 -19.775 4.059 1.00 42.23 H new ATOM 0 HE3 LYS A 58 20.384 -20.983 4.692 1.00 42.23 H new ATOM 0 HZ1 LYS A 58 21.092 -21.530 2.456 1.00 44.14 H new ATOM 0 HZ2 LYS A 58 19.421 -21.228 2.477 1.00 44.14 H new ATOM 0 HZ3 LYS A 58 20.488 -20.058 1.863 1.00 44.14 H new ATOM 920 N GLU A 59 18.156 -16.411 4.053 1.00 20.20 N ATOM 921 CA GLU A 59 18.925 -15.576 4.968 1.00 44.24 C ATOM 922 C GLU A 59 18.043 -14.500 5.594 1.00 2.22 C ATOM 923 O GLU A 59 17.879 -14.448 6.813 1.00 3.32 O ATOM 924 CB GLU A 59 20.099 -14.925 4.234 1.00 45.33 C ATOM 925 CG GLU A 59 20.968 -14.054 5.126 1.00 14.22 C ATOM 926 CD GLU A 59 21.648 -12.933 4.364 1.00 32.02 C ATOM 927 OE1 GLU A 59 22.006 -13.147 3.187 1.00 15.12 O ATOM 928 OE2 GLU A 59 21.822 -11.842 4.946 1.00 51.52 O ATOM 0 H GLU A 59 18.436 -16.334 3.075 1.00 20.20 H new ATOM 0 HA GLU A 59 19.311 -16.213 5.764 1.00 44.24 H new ATOM 0 HB2 GLU A 59 20.717 -15.706 3.790 1.00 45.33 H new ATOM 0 HB3 GLU A 59 19.713 -14.319 3.414 1.00 45.33 H new ATOM 0 HG2 GLU A 59 20.355 -13.628 5.920 1.00 14.22 H new ATOM 0 HG3 GLU A 59 21.726 -14.674 5.606 1.00 14.22 H new ATOM 935 N VAL A 60 17.477 -13.642 4.751 1.00 5.32 N ATOM 936 CA VAL A 60 16.612 -12.567 5.221 1.00 54.22 C ATOM 937 C VAL A 60 15.524 -13.102 6.145 1.00 13.43 C ATOM 938 O VAL A 60 15.068 -12.406 7.054 1.00 40.43 O ATOM 939 CB VAL A 60 15.951 -11.824 4.044 1.00 12.25 C ATOM 940 CG1 VAL A 60 17.008 -11.250 3.114 1.00 41.23 C ATOM 941 CG2 VAL A 60 15.011 -12.752 3.289 1.00 10.55 C ATOM 0 H VAL A 60 17.602 -13.671 3.739 1.00 5.32 H new ATOM 0 HA VAL A 60 17.243 -11.870 5.773 1.00 54.22 H new ATOM 0 HB VAL A 60 15.364 -10.996 4.443 1.00 12.25 H new ATOM 0 HG11 VAL A 60 16.522 -10.729 2.289 1.00 41.23 H new ATOM 0 HG12 VAL A 60 17.636 -10.551 3.665 1.00 41.23 H new ATOM 0 HG13 VAL A 60 17.624 -12.058 2.720 1.00 41.23 H new ATOM 0 HG21 VAL A 60 14.553 -12.211 2.461 1.00 10.55 H new ATOM 0 HG22 VAL A 60 15.573 -13.602 2.901 1.00 10.55 H new ATOM 0 HG23 VAL A 60 14.233 -13.109 3.964 1.00 10.55 H new ATOM 951 N LEU A 61 15.111 -14.342 5.909 1.00 63.03 N ATOM 952 CA LEU A 61 14.076 -14.972 6.721 1.00 62.12 C ATOM 953 C LEU A 61 14.586 -15.253 8.131 1.00 51.12 C ATOM 954 O LEU A 61 13.963 -14.857 9.116 1.00 64.43 O ATOM 955 CB LEU A 61 13.609 -16.274 6.067 1.00 52.53 C ATOM 956 CG LEU A 61 12.300 -16.197 5.280 1.00 52.10 C ATOM 957 CD1 LEU A 61 11.118 -16.040 6.224 1.00 31.42 C ATOM 958 CD2 LEU A 61 12.344 -15.049 4.282 1.00 14.55 C ATOM 0 H LEU A 61 15.477 -14.932 5.162 1.00 63.03 H new ATOM 0 HA LEU A 61 13.233 -14.284 6.789 1.00 62.12 H new ATOM 0 HB2 LEU A 61 14.394 -16.622 5.395 1.00 52.53 H new ATOM 0 HB3 LEU A 61 13.498 -17.029 6.845 1.00 52.53 H new ATOM 0 HG LEU A 61 12.176 -17.128 4.727 1.00 52.10 H new ATOM 0 HD11 LEU A 61 10.195 -15.987 5.646 1.00 31.42 H new ATOM 0 HD12 LEU A 61 11.075 -16.895 6.899 1.00 31.42 H new ATOM 0 HD13 LEU A 61 11.235 -15.125 6.805 1.00 31.42 H new ATOM 0 HD21 LEU A 61 11.404 -15.010 3.731 1.00 14.55 H new ATOM 0 HD22 LEU A 61 12.492 -14.110 4.814 1.00 14.55 H new ATOM 0 HD23 LEU A 61 13.167 -15.205 3.585 1.00 14.55 H new ATOM 970 N GLU A 62 15.723 -15.936 8.218 1.00 31.15 N ATOM 971 CA GLU A 62 16.316 -16.268 9.508 1.00 3.15 C ATOM 972 C GLU A 62 16.815 -15.012 10.217 1.00 44.11 C ATOM 973 O GLU A 62 16.873 -14.961 11.446 1.00 53.05 O ATOM 974 CB GLU A 62 17.470 -17.256 9.325 1.00 43.20 C ATOM 975 CG GLU A 62 17.031 -18.616 8.811 1.00 72.42 C ATOM 976 CD GLU A 62 16.987 -19.667 9.904 1.00 40.24 C ATOM 977 OE1 GLU A 62 18.048 -20.249 10.210 1.00 20.15 O ATOM 978 OE2 GLU A 62 15.891 -19.906 10.452 1.00 13.11 O ATOM 0 H GLU A 62 16.251 -16.270 7.412 1.00 31.15 H new ATOM 0 HA GLU A 62 15.545 -16.731 10.125 1.00 3.15 H new ATOM 0 HB2 GLU A 62 18.194 -16.831 8.630 1.00 43.20 H new ATOM 0 HB3 GLU A 62 17.981 -17.385 10.279 1.00 43.20 H new ATOM 0 HG2 GLU A 62 16.044 -18.527 8.357 1.00 72.42 H new ATOM 0 HG3 GLU A 62 17.714 -18.942 8.026 1.00 72.42 H new ATOM 985 N TRP A 63 17.176 -14.002 9.433 1.00 14.15 N ATOM 986 CA TRP A 63 17.671 -12.746 9.985 1.00 14.32 C ATOM 987 C TRP A 63 16.527 -11.912 10.553 1.00 21.41 C ATOM 988 O TRP A 63 16.588 -11.455 11.694 1.00 54.43 O ATOM 989 CB TRP A 63 18.413 -11.950 8.910 1.00 31.22 C ATOM 990 CG TRP A 63 19.894 -11.890 9.132 1.00 10.02 C ATOM 991 CD1 TRP A 63 20.645 -10.771 9.354 1.00 14.12 C ATOM 992 CD2 TRP A 63 20.803 -12.996 9.152 1.00 42.24 C ATOM 993 NE1 TRP A 63 21.966 -11.114 9.510 1.00 32.44 N ATOM 994 CE2 TRP A 63 22.089 -12.473 9.391 1.00 23.44 C ATOM 995 CE3 TRP A 63 20.656 -14.376 8.992 1.00 20.20 C ATOM 996 CZ2 TRP A 63 23.218 -13.284 9.473 1.00 22.25 C ATOM 997 CZ3 TRP A 63 21.778 -15.179 9.073 1.00 35.44 C ATOM 998 CH2 TRP A 63 23.045 -14.632 9.313 1.00 31.12 C ATOM 0 H TRP A 63 17.135 -14.028 8.414 1.00 14.15 H new ATOM 0 HA TRP A 63 18.361 -12.981 10.795 1.00 14.32 H new ATOM 0 HB2 TRP A 63 18.217 -12.398 7.936 1.00 31.22 H new ATOM 0 HB3 TRP A 63 18.016 -10.935 8.880 1.00 31.22 H new ATOM 0 HD1 TRP A 63 20.257 -9.764 9.400 1.00 14.12 H new ATOM 0 HE1 TRP A 63 22.731 -10.463 9.686 1.00 32.44 H new ATOM 0 HE3 TRP A 63 19.683 -14.808 8.808 1.00 20.20 H new ATOM 0 HZ2 TRP A 63 24.196 -12.864 9.656 1.00 22.25 H new ATOM 0 HZ3 TRP A 63 21.676 -16.247 8.949 1.00 35.44 H new ATOM 0 HH2 TRP A 63 23.902 -15.287 9.373 1.00 31.12 H new ATOM 1009 N ALA A 64 15.486 -11.720 9.750 1.00 14.44 N ATOM 1010 CA ALA A 64 14.327 -10.943 10.175 1.00 64.12 C ATOM 1011 C ALA A 64 13.735 -11.502 11.464 1.00 14.41 C ATOM 1012 O ALA A 64 13.166 -10.763 12.267 1.00 53.42 O ATOM 1013 CB ALA A 64 13.276 -10.919 9.075 1.00 21.32 C ATOM 0 H ALA A 64 15.421 -12.091 8.802 1.00 14.44 H new ATOM 0 HA ALA A 64 14.656 -9.922 10.370 1.00 64.12 H new ATOM 0 HB1 ALA A 64 12.417 -10.336 9.406 1.00 21.32 H new ATOM 0 HB2 ALA A 64 13.698 -10.466 8.178 1.00 21.32 H new ATOM 0 HB3 ALA A 64 12.959 -11.938 8.852 1.00 21.32 H new ATOM 1019 N GLU A 65 13.871 -12.810 11.655 1.00 63.12 N ATOM 1020 CA GLU A 65 13.347 -13.467 12.847 1.00 41.53 C ATOM 1021 C GLU A 65 14.238 -13.193 14.055 1.00 62.01 C ATOM 1022 O GLU A 65 13.796 -13.287 15.200 1.00 23.45 O ATOM 1023 CB GLU A 65 13.231 -14.975 12.616 1.00 52.41 C ATOM 1024 CG GLU A 65 12.102 -15.361 11.675 1.00 63.13 C ATOM 1025 CD GLU A 65 11.266 -16.509 12.206 1.00 24.14 C ATOM 1026 OE1 GLU A 65 11.021 -16.548 13.430 1.00 24.42 O ATOM 1027 OE2 GLU A 65 10.857 -17.368 11.398 1.00 61.43 O ATOM 0 H GLU A 65 14.339 -13.436 11.000 1.00 63.12 H new ATOM 0 HA GLU A 65 12.356 -13.061 13.049 1.00 41.53 H new ATOM 0 HB2 GLU A 65 14.173 -15.346 12.211 1.00 52.41 H new ATOM 0 HB3 GLU A 65 13.079 -15.470 13.575 1.00 52.41 H new ATOM 0 HG2 GLU A 65 11.460 -14.496 11.509 1.00 63.13 H new ATOM 0 HG3 GLU A 65 12.520 -15.638 10.707 1.00 63.13 H new ATOM 1034 N HIS A 66 15.496 -12.854 13.790 1.00 21.25 N ATOM 1035 CA HIS A 66 16.450 -12.567 14.855 1.00 5.24 C ATOM 1036 C HIS A 66 16.076 -11.282 15.588 1.00 45.31 C ATOM 1037 O HIS A 66 15.946 -11.268 16.813 1.00 64.23 O ATOM 1038 CB HIS A 66 17.864 -12.449 14.284 1.00 31.34 C ATOM 1039 CG HIS A 66 18.837 -13.413 14.891 1.00 71.12 C ATOM 1040 ND1 HIS A 66 19.122 -13.446 16.239 1.00 22.15 N ATOM 1041 CD2 HIS A 66 19.591 -14.384 14.324 1.00 2.23 C ATOM 1042 CE1 HIS A 66 20.011 -14.394 16.476 1.00 22.21 C ATOM 1043 NE2 HIS A 66 20.312 -14.979 15.330 1.00 10.45 N ATOM 0 H HIS A 66 15.878 -12.771 12.848 1.00 21.25 H new ATOM 0 HA HIS A 66 16.421 -13.392 15.567 1.00 5.24 H new ATOM 0 HB2 HIS A 66 17.827 -12.612 13.207 1.00 31.34 H new ATOM 0 HB3 HIS A 66 18.226 -11.433 14.440 1.00 31.34 H new ATOM 0 HD2 HIS A 66 19.620 -14.643 13.276 1.00 2.23 H new ATOM 0 HE1 HIS A 66 20.422 -14.648 17.442 1.00 22.21 H new ATOM 0 HE2 HIS A 66 20.972 -15.747 15.212 1.00 10.45 H new ATOM 1051 N LEU A 67 15.906 -10.204 14.831 1.00 53.51 N ATOM 1052 CA LEU A 67 15.547 -8.913 15.408 1.00 3.50 C ATOM 1053 C LEU A 67 14.113 -8.928 15.928 1.00 4.30 C ATOM 1054 O LEU A 67 13.794 -8.266 16.915 1.00 33.33 O ATOM 1055 CB LEU A 67 15.713 -7.803 14.368 1.00 70.11 C ATOM 1056 CG LEU A 67 14.608 -7.699 13.316 1.00 11.42 C ATOM 1057 CD1 LEU A 67 13.551 -6.695 13.750 1.00 1.13 C ATOM 1058 CD2 LEU A 67 15.192 -7.311 11.966 1.00 50.53 C ATOM 0 H LEU A 67 16.011 -10.198 13.816 1.00 53.51 H new ATOM 0 HA LEU A 67 16.216 -8.720 16.247 1.00 3.50 H new ATOM 0 HB2 LEU A 67 15.780 -6.849 14.891 1.00 70.11 H new ATOM 0 HB3 LEU A 67 16.663 -7.952 13.855 1.00 70.11 H new ATOM 0 HG LEU A 67 14.134 -8.675 13.217 1.00 11.42 H new ATOM 0 HD11 LEU A 67 12.773 -6.634 12.989 1.00 1.13 H new ATOM 0 HD12 LEU A 67 13.111 -7.015 14.694 1.00 1.13 H new ATOM 0 HD13 LEU A 67 14.011 -5.715 13.878 1.00 1.13 H new ATOM 0 HD21 LEU A 67 14.391 -7.242 11.230 1.00 50.53 H new ATOM 0 HD22 LEU A 67 15.693 -6.346 12.050 1.00 50.53 H new ATOM 0 HD23 LEU A 67 15.911 -8.067 11.650 1.00 50.53 H new ATOM 1070 N ALA A 68 13.254 -9.689 15.258 1.00 44.43 N ATOM 1071 CA ALA A 68 11.856 -9.794 15.655 1.00 52.44 C ATOM 1072 C ALA A 68 11.723 -10.422 17.038 1.00 63.25 C ATOM 1073 O ALA A 68 10.834 -10.064 17.809 1.00 70.01 O ATOM 1074 CB ALA A 68 11.075 -10.601 14.628 1.00 22.54 C ATOM 0 H ALA A 68 13.502 -10.242 14.438 1.00 44.43 H new ATOM 0 HA ALA A 68 11.441 -8.787 15.702 1.00 52.44 H new ATOM 0 HB1 ALA A 68 10.032 -10.671 14.937 1.00 22.54 H new ATOM 0 HB2 ALA A 68 11.133 -10.108 13.657 1.00 22.54 H new ATOM 0 HB3 ALA A 68 11.500 -11.602 14.553 1.00 22.54 H new ATOM 1080 N GLU A 69 12.613 -11.361 17.344 1.00 61.25 N ATOM 1081 CA GLU A 69 12.593 -12.040 18.634 1.00 61.22 C ATOM 1082 C GLU A 69 13.265 -11.188 19.707 1.00 35.53 C ATOM 1083 O GLU A 69 13.019 -11.368 20.900 1.00 10.22 O ATOM 1084 CB GLU A 69 13.293 -13.397 18.532 1.00 21.01 C ATOM 1085 CG GLU A 69 12.469 -14.455 17.818 1.00 33.22 C ATOM 1086 CD GLU A 69 11.864 -15.466 18.773 1.00 11.11 C ATOM 1087 OE1 GLU A 69 12.535 -15.819 19.765 1.00 22.42 O ATOM 1088 OE2 GLU A 69 10.720 -15.903 18.529 1.00 63.53 O ATOM 0 H GLU A 69 13.356 -11.668 16.717 1.00 61.25 H new ATOM 0 HA GLU A 69 11.552 -12.197 18.918 1.00 61.22 H new ATOM 0 HB2 GLU A 69 14.239 -13.270 18.006 1.00 21.01 H new ATOM 0 HB3 GLU A 69 13.531 -13.750 19.535 1.00 21.01 H new ATOM 0 HG2 GLU A 69 11.672 -13.970 17.255 1.00 33.22 H new ATOM 0 HG3 GLU A 69 13.099 -14.975 17.096 1.00 33.22 H new ATOM 1095 N TRP A 70 14.113 -10.263 19.274 1.00 14.35 N ATOM 1096 CA TRP A 70 14.820 -9.383 20.198 1.00 64.20 C ATOM 1097 C TRP A 70 13.876 -8.842 21.266 1.00 42.33 C ATOM 1098 O TRP A 70 14.264 -8.675 22.422 1.00 13.55 O ATOM 1099 CB TRP A 70 15.467 -8.225 19.437 1.00 64.01 C ATOM 1100 CG TRP A 70 16.827 -7.861 19.953 1.00 53.22 C ATOM 1101 CD1 TRP A 70 17.110 -7.043 21.009 1.00 23.45 C ATOM 1102 CD2 TRP A 70 18.086 -8.300 19.434 1.00 65.25 C ATOM 1103 NE1 TRP A 70 18.471 -6.948 21.178 1.00 34.12 N ATOM 1104 CE2 TRP A 70 19.092 -7.711 20.225 1.00 53.53 C ATOM 1105 CE3 TRP A 70 18.463 -9.136 18.379 1.00 42.12 C ATOM 1106 CZ2 TRP A 70 20.447 -7.930 19.992 1.00 73.24 C ATOM 1107 CZ3 TRP A 70 19.808 -9.353 18.149 1.00 44.45 C ATOM 1108 CH2 TRP A 70 20.787 -8.753 18.952 1.00 10.32 C ATOM 0 H TRP A 70 14.328 -10.102 18.290 1.00 14.35 H new ATOM 0 HA TRP A 70 15.599 -9.965 20.691 1.00 64.20 H new ATOM 0 HB2 TRP A 70 15.545 -8.491 18.383 1.00 64.01 H new ATOM 0 HB3 TRP A 70 14.817 -7.352 19.498 1.00 64.01 H new ATOM 0 HD1 TRP A 70 16.373 -6.544 21.621 1.00 23.45 H new ATOM 0 HE1 TRP A 70 18.942 -6.398 21.897 1.00 34.12 H new ATOM 0 HE3 TRP A 70 17.716 -9.604 17.755 1.00 42.12 H new ATOM 0 HZ2 TRP A 70 21.203 -7.467 20.609 1.00 73.24 H new ATOM 0 HZ3 TRP A 70 20.110 -9.996 17.336 1.00 44.45 H new ATOM 0 HH2 TRP A 70 21.830 -8.943 18.747 1.00 10.32 H new ATOM 1119 N ILE A 71 12.637 -8.570 20.871 1.00 40.13 N ATOM 1120 CA ILE A 71 11.638 -8.049 21.795 1.00 2.54 C ATOM 1121 C ILE A 71 11.568 -8.894 23.063 1.00 73.05 C ATOM 1122 O ILE A 71 11.512 -8.364 24.173 1.00 22.43 O ATOM 1123 CB ILE A 71 10.242 -7.999 21.147 1.00 42.42 C ATOM 1124 CG1 ILE A 71 9.867 -9.372 20.587 1.00 73.13 C ATOM 1125 CG2 ILE A 71 10.205 -6.945 20.050 1.00 63.12 C ATOM 1126 CD1 ILE A 71 8.639 -9.349 19.703 1.00 21.43 C ATOM 0 H ILE A 71 12.301 -8.702 19.917 1.00 40.13 H new ATOM 0 HA ILE A 71 11.946 -7.036 22.053 1.00 2.54 H new ATOM 0 HB ILE A 71 9.513 -7.727 21.910 1.00 42.42 H new ATOM 0 HG12 ILE A 71 10.708 -9.765 20.016 1.00 73.13 H new ATOM 0 HG13 ILE A 71 9.695 -10.059 21.416 1.00 73.13 H new ATOM 0 HG21 ILE A 71 9.212 -6.922 19.601 1.00 63.12 H new ATOM 0 HG22 ILE A 71 10.434 -5.968 20.476 1.00 63.12 H new ATOM 0 HG23 ILE A 71 10.943 -7.189 19.286 1.00 63.12 H new ATOM 0 HD11 ILE A 71 8.432 -10.356 19.341 1.00 21.43 H new ATOM 0 HD12 ILE A 71 7.785 -8.986 20.276 1.00 21.43 H new ATOM 0 HD13 ILE A 71 8.814 -8.688 18.854 1.00 21.43 H new ATOM 1138 N LEU A 72 11.572 -10.211 22.889 1.00 21.02 N ATOM 1139 CA LEU A 72 11.511 -11.132 24.019 1.00 14.31 C ATOM 1140 C LEU A 72 12.838 -11.162 24.770 1.00 40.41 C ATOM 1141 O LEU A 72 12.866 -11.174 26.000 1.00 14.10 O ATOM 1142 CB LEU A 72 11.152 -12.539 23.537 1.00 4.42 C ATOM 1143 CG LEU A 72 9.919 -12.647 22.639 1.00 4.24 C ATOM 1144 CD1 LEU A 72 10.298 -13.209 21.278 1.00 41.52 C ATOM 1145 CD2 LEU A 72 8.855 -13.512 23.298 1.00 55.11 C ATOM 0 H LEU A 72 11.617 -10.665 21.977 1.00 21.02 H new ATOM 0 HA LEU A 72 10.737 -10.780 24.701 1.00 14.31 H new ATOM 0 HB2 LEU A 72 12.007 -12.945 22.997 1.00 4.42 H new ATOM 0 HB3 LEU A 72 10.997 -13.172 24.411 1.00 4.42 H new ATOM 0 HG LEU A 72 9.509 -11.648 22.495 1.00 4.24 H new ATOM 0 HD11 LEU A 72 9.408 -13.279 20.653 1.00 41.52 H new ATOM 0 HD12 LEU A 72 11.025 -12.551 20.802 1.00 41.52 H new ATOM 0 HD13 LEU A 72 10.733 -14.201 21.402 1.00 41.52 H new ATOM 0 HD21 LEU A 72 7.984 -13.578 22.645 1.00 55.11 H new ATOM 0 HD22 LEU A 72 9.255 -14.511 23.472 1.00 55.11 H new ATOM 0 HD23 LEU A 72 8.562 -13.067 24.249 1.00 55.11 H new ATOM 1157 N GLU A 73 13.936 -11.171 24.020 1.00 30.14 N ATOM 1158 CA GLU A 73 15.267 -11.198 24.616 1.00 14.13 C ATOM 1159 C GLU A 73 15.423 -10.085 25.649 1.00 72.40 C ATOM 1160 O GLU A 73 16.147 -10.234 26.634 1.00 34.51 O ATOM 1161 CB GLU A 73 16.338 -11.057 23.533 1.00 72.13 C ATOM 1162 CG GLU A 73 17.633 -11.782 23.859 1.00 34.20 C ATOM 1163 CD GLU A 73 18.801 -10.834 24.047 1.00 51.01 C ATOM 1164 OE1 GLU A 73 19.234 -10.222 23.048 1.00 63.52 O ATOM 1165 OE2 GLU A 73 19.282 -10.704 25.192 1.00 53.52 O ATOM 0 H GLU A 73 13.930 -11.160 23.000 1.00 30.14 H new ATOM 0 HA GLU A 73 15.393 -12.157 25.118 1.00 14.13 H new ATOM 0 HB2 GLU A 73 15.944 -11.441 22.592 1.00 72.13 H new ATOM 0 HB3 GLU A 73 16.552 -9.999 23.381 1.00 72.13 H new ATOM 0 HG2 GLU A 73 17.497 -12.370 24.767 1.00 34.20 H new ATOM 0 HG3 GLU A 73 17.864 -12.483 23.057 1.00 34.20 H new ATOM 1172 N HIS A 74 14.739 -8.969 25.416 1.00 63.41 N ATOM 1173 CA HIS A 74 14.801 -7.831 26.325 1.00 5.34 C ATOM 1174 C HIS A 74 16.233 -7.321 26.460 1.00 1.32 C ATOM 1175 O HIS A 74 17.065 -7.539 25.579 1.00 25.53 O ATOM 1176 CB HIS A 74 14.254 -8.218 27.699 1.00 22.15 C ATOM 1177 CG HIS A 74 13.701 -7.060 28.472 1.00 22.30 C ATOM 1178 ND1 HIS A 74 14.190 -5.776 28.356 1.00 32.02 N ATOM 1179 CD2 HIS A 74 12.694 -6.998 29.374 1.00 31.11 C ATOM 1180 CE1 HIS A 74 13.508 -4.974 29.155 1.00 62.31 C ATOM 1181 NE2 HIS A 74 12.594 -5.691 29.784 1.00 61.15 N ATOM 0 H HIS A 74 14.136 -8.829 24.606 1.00 63.41 H new ATOM 0 HA HIS A 74 14.187 -7.032 25.910 1.00 5.34 H new ATOM 0 HB2 HIS A 74 13.472 -8.966 27.572 1.00 22.15 H new ATOM 0 HB3 HIS A 74 15.050 -8.685 28.279 1.00 22.15 H new ATOM 0 HD2 HIS A 74 12.083 -7.823 29.709 1.00 31.11 H new ATOM 0 HE1 HIS A 74 13.670 -3.913 29.274 1.00 62.31 H new ATOM 0 HE2 HIS A 74 11.923 -5.332 30.464 1.00 61.15 H new