USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -1.48 K(o=-1.4,f=-2.6) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -101:sc= 0.0309 (180deg=0.366) USER MOD Set 2.1: A 23 SER OG : rot -138:sc= 0.427 USER MOD Set 2.2: A 26 SER OG : rot -139:sc= 1.7 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.885 K(o=-0.89,f=-0.05) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -0.159 (180deg=-0.209) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc=-0.000603 (180deg=-0.0771) USER MOD Single : A 22 GLN : amide:sc= -4.07! K(o=-4.1!,f=-1.3) USER MOD Single : A 25 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.00015) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.22) USER MOD Single : A 34 GLN : amide:sc= 0.00601 K(o=0.006,f=-1.8) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0407) USER MOD Single : A 36 GLN : amide:sc=-0.00853 X(o=-0.0085,f=-0.0044) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 141:sc= -0.453 (180deg=-3.12!) USER MOD Single : A 54 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.8!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 64 ASN : amide:sc=-0.000283 X(o=-0.00028,f=0) USER MOD Single : A 65 THR OG1 : rot -9:sc= 0.49 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 143:sc= 0.166 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 6 -13.622 -3.415 6.220 1.00 14.25 N ATOM 76 CA GLU A 6 -13.513 -4.400 5.122 1.00 63.53 C ATOM 77 C GLU A 6 -12.817 -3.759 3.911 1.00 42.11 C ATOM 78 O GLU A 6 -12.042 -4.420 3.213 1.00 14.41 O ATOM 79 CB GLU A 6 -14.920 -4.925 4.728 1.00 31.33 C ATOM 80 CG GLU A 6 -14.956 -5.881 3.524 1.00 50.44 C ATOM 81 CD GLU A 6 -16.367 -6.405 3.221 1.00 72.23 C ATOM 82 OE1 GLU A 6 -16.747 -7.486 3.734 1.00 61.43 O ATOM 83 OE2 GLU A 6 -17.119 -5.734 2.482 1.00 34.44 O ATOM 0 HA GLU A 6 -12.915 -5.245 5.462 1.00 63.53 H new ATOM 0 HB2 GLU A 6 -15.352 -5.436 5.588 1.00 31.33 H new ATOM 0 HB3 GLU A 6 -15.560 -4.070 4.510 1.00 31.33 H new ATOM 0 HG2 GLU A 6 -14.569 -5.366 2.645 1.00 50.44 H new ATOM 0 HG3 GLU A 6 -14.294 -6.725 3.716 1.00 50.44 H new ATOM 90 N GLU A 7 -13.080 -2.453 3.694 1.00 75.30 N ATOM 91 CA GLU A 7 -12.499 -1.710 2.574 1.00 20.33 C ATOM 92 C GLU A 7 -10.981 -1.557 2.762 1.00 61.51 C ATOM 93 O GLU A 7 -10.242 -1.894 1.850 1.00 43.14 O ATOM 94 CB GLU A 7 -13.189 -0.340 2.375 1.00 51.24 C ATOM 95 CG GLU A 7 -14.723 -0.415 2.189 1.00 42.54 C ATOM 96 CD GLU A 7 -15.188 -1.455 1.136 1.00 10.31 C ATOM 97 OE1 GLU A 7 -15.794 -2.486 1.510 1.00 44.42 O ATOM 98 OE2 GLU A 7 -14.921 -1.255 -0.079 1.00 61.32 O ATOM 0 H GLU A 7 -13.695 -1.896 4.287 1.00 75.30 H new ATOM 0 HA GLU A 7 -12.673 -2.284 1.663 1.00 20.33 H new ATOM 0 HB2 GLU A 7 -12.971 0.291 3.237 1.00 51.24 H new ATOM 0 HB3 GLU A 7 -12.754 0.149 1.503 1.00 51.24 H new ATOM 0 HG2 GLU A 7 -15.182 -0.656 3.148 1.00 42.54 H new ATOM 0 HG3 GLU A 7 -15.091 0.569 1.898 1.00 42.54 H new ATOM 105 N LYS A 8 -10.521 -1.102 3.967 1.00 32.34 N ATOM 106 CA LYS A 8 -9.067 -1.018 4.282 1.00 23.23 C ATOM 107 C LYS A 8 -8.380 -2.390 4.129 1.00 3.22 C ATOM 108 O LYS A 8 -7.246 -2.448 3.676 1.00 3.10 O ATOM 109 CB LYS A 8 -8.764 -0.452 5.707 1.00 43.14 C ATOM 110 CG LYS A 8 -8.901 1.087 5.855 1.00 53.33 C ATOM 111 CD LYS A 8 -10.317 1.551 6.257 1.00 51.44 C ATOM 112 CE LYS A 8 -10.604 1.312 7.750 1.00 43.35 C ATOM 113 NZ LYS A 8 -11.914 1.864 8.170 1.00 3.30 N ATOM 0 H LYS A 8 -11.130 -0.793 4.724 1.00 32.34 H new ATOM 0 HA LYS A 8 -8.661 -0.313 3.556 1.00 23.23 H new ATOM 0 HB2 LYS A 8 -9.436 -0.930 6.420 1.00 43.14 H new ATOM 0 HB3 LYS A 8 -7.749 -0.738 5.985 1.00 43.14 H new ATOM 0 HG2 LYS A 8 -8.189 1.435 6.603 1.00 53.33 H new ATOM 0 HG3 LYS A 8 -8.629 1.559 4.911 1.00 53.33 H new ATOM 0 HD2 LYS A 8 -10.427 2.612 6.033 1.00 51.44 H new ATOM 0 HD3 LYS A 8 -11.056 1.020 5.657 1.00 51.44 H new ATOM 0 HE2 LYS A 8 -10.582 0.242 7.954 1.00 43.35 H new ATOM 0 HE3 LYS A 8 -9.813 1.767 8.346 1.00 43.35 H new ATOM 0 HZ1 LYS A 8 -12.061 1.678 9.183 1.00 3.30 H new ATOM 0 HZ2 LYS A 8 -11.929 2.890 8.001 1.00 3.30 H new ATOM 0 HZ3 LYS A 8 -12.673 1.412 7.621 1.00 3.30 H new ATOM 127 N ARG A 9 -9.087 -3.472 4.514 1.00 63.31 N ATOM 128 CA ARG A 9 -8.580 -4.858 4.386 1.00 10.22 C ATOM 129 C ARG A 9 -8.270 -5.194 2.910 1.00 12.13 C ATOM 130 O ARG A 9 -7.219 -5.776 2.594 1.00 31.11 O ATOM 131 CB ARG A 9 -9.608 -5.860 4.969 1.00 33.21 C ATOM 132 CG ARG A 9 -9.146 -7.333 4.968 1.00 74.31 C ATOM 133 CD ARG A 9 -10.224 -8.286 5.497 1.00 31.54 C ATOM 134 NE ARG A 9 -9.773 -9.689 5.547 1.00 25.11 N ATOM 135 CZ ARG A 9 -10.576 -10.744 5.777 1.00 33.40 C ATOM 136 NH1 ARG A 9 -11.883 -10.590 5.968 1.00 75.05 N ATOM 137 NH2 ARG A 9 -10.063 -11.958 5.838 1.00 54.24 N ATOM 0 H ARG A 9 -10.021 -3.413 4.920 1.00 63.31 H new ATOM 0 HA ARG A 9 -7.653 -4.940 4.953 1.00 10.22 H new ATOM 0 HB2 ARG A 9 -9.840 -5.567 5.993 1.00 33.21 H new ATOM 0 HB3 ARG A 9 -10.533 -5.783 4.398 1.00 33.21 H new ATOM 0 HG2 ARG A 9 -8.874 -7.624 3.954 1.00 74.31 H new ATOM 0 HG3 ARG A 9 -8.249 -7.429 5.579 1.00 74.31 H new ATOM 0 HD2 ARG A 9 -10.523 -7.970 6.496 1.00 31.54 H new ATOM 0 HD3 ARG A 9 -11.107 -8.216 4.862 1.00 31.54 H new ATOM 0 HE ARG A 9 -8.781 -9.873 5.396 1.00 25.11 H new ATOM 0 HH11 ARG A 9 -12.296 -9.658 5.942 1.00 75.05 H new ATOM 0 HH12 ARG A 9 -12.473 -11.404 6.141 1.00 75.05 H new ATOM 0 HH21 ARG A 9 -9.060 -12.095 5.711 1.00 54.24 H new ATOM 0 HH22 ARG A 9 -10.669 -12.760 6.012 1.00 54.24 H new ATOM 151 N GLN A 10 -9.197 -4.785 2.024 1.00 65.45 N ATOM 152 CA GLN A 10 -9.045 -4.915 0.563 1.00 72.23 C ATOM 153 C GLN A 10 -7.872 -4.045 0.061 1.00 14.24 C ATOM 154 O GLN A 10 -7.047 -4.515 -0.714 1.00 22.53 O ATOM 155 CB GLN A 10 -10.373 -4.516 -0.146 1.00 1.23 C ATOM 156 CG GLN A 10 -11.556 -5.464 0.137 1.00 14.45 C ATOM 157 CD GLN A 10 -12.891 -4.933 -0.393 1.00 54.53 C ATOM 158 OE1 GLN A 10 -13.252 -5.159 -1.547 1.00 71.44 O ATOM 159 NE2 GLN A 10 -13.638 -4.238 0.447 1.00 13.00 N ATOM 0 H GLN A 10 -10.078 -4.353 2.303 1.00 65.45 H new ATOM 0 HA GLN A 10 -8.820 -5.954 0.322 1.00 72.23 H new ATOM 0 HB2 GLN A 10 -10.648 -3.508 0.165 1.00 1.23 H new ATOM 0 HB3 GLN A 10 -10.200 -4.481 -1.222 1.00 1.23 H new ATOM 0 HG2 GLN A 10 -11.352 -6.435 -0.315 1.00 14.45 H new ATOM 0 HG3 GLN A 10 -11.636 -5.624 1.212 1.00 14.45 H new ATOM 0 HE21 GLN A 10 -13.312 -4.067 1.398 1.00 13.00 H new ATOM 0 HE22 GLN A 10 -14.541 -3.873 0.144 1.00 13.00 H new ATOM 168 N VAL A 11 -7.794 -2.801 0.578 1.00 33.30 N ATOM 169 CA VAL A 11 -6.796 -1.785 0.172 1.00 10.15 C ATOM 170 C VAL A 11 -5.349 -2.237 0.486 1.00 32.35 C ATOM 171 O VAL A 11 -4.443 -1.998 -0.313 1.00 65.51 O ATOM 172 CB VAL A 11 -7.099 -0.403 0.877 1.00 35.41 C ATOM 173 CG1 VAL A 11 -6.014 0.646 0.608 1.00 61.14 C ATOM 174 CG2 VAL A 11 -8.463 0.156 0.445 1.00 41.11 C ATOM 0 H VAL A 11 -8.432 -2.467 1.301 1.00 33.30 H new ATOM 0 HA VAL A 11 -6.877 -1.664 -0.908 1.00 10.15 H new ATOM 0 HB VAL A 11 -7.113 -0.609 1.947 1.00 35.41 H new ATOM 0 HG11 VAL A 11 -6.273 1.575 1.116 1.00 61.14 H new ATOM 0 HG12 VAL A 11 -5.056 0.283 0.981 1.00 61.14 H new ATOM 0 HG13 VAL A 11 -5.940 0.827 -0.464 1.00 61.14 H new ATOM 0 HG21 VAL A 11 -8.642 1.107 0.947 1.00 41.11 H new ATOM 0 HG22 VAL A 11 -8.468 0.309 -0.634 1.00 41.11 H new ATOM 0 HG23 VAL A 11 -9.248 -0.550 0.715 1.00 41.11 H new ATOM 184 N LYS A 12 -5.160 -2.896 1.652 1.00 21.12 N ATOM 185 CA LYS A 12 -3.843 -3.416 2.088 1.00 40.33 C ATOM 186 C LYS A 12 -3.355 -4.510 1.136 1.00 12.25 C ATOM 187 O LYS A 12 -2.154 -4.629 0.881 1.00 54.22 O ATOM 188 CB LYS A 12 -3.914 -3.994 3.521 1.00 62.14 C ATOM 189 CG LYS A 12 -4.317 -2.985 4.609 1.00 63.40 C ATOM 190 CD LYS A 12 -4.327 -3.615 6.017 1.00 11.40 C ATOM 191 CE LYS A 12 -5.274 -4.810 6.150 1.00 1.13 C ATOM 192 NZ LYS A 12 -5.197 -5.407 7.501 1.00 4.04 N ATOM 0 H LYS A 12 -5.913 -3.082 2.315 1.00 21.12 H new ATOM 0 HA LYS A 12 -3.144 -2.579 2.077 1.00 40.33 H new ATOM 0 HB2 LYS A 12 -4.627 -4.819 3.529 1.00 62.14 H new ATOM 0 HB3 LYS A 12 -2.940 -4.412 3.777 1.00 62.14 H new ATOM 0 HG2 LYS A 12 -3.625 -2.143 4.595 1.00 63.40 H new ATOM 0 HG3 LYS A 12 -5.307 -2.588 4.384 1.00 63.40 H new ATOM 0 HD2 LYS A 12 -3.316 -3.934 6.270 1.00 11.40 H new ATOM 0 HD3 LYS A 12 -4.612 -2.854 6.744 1.00 11.40 H new ATOM 0 HE2 LYS A 12 -6.297 -4.491 5.949 1.00 1.13 H new ATOM 0 HE3 LYS A 12 -5.022 -5.562 5.402 1.00 1.13 H new ATOM 0 HZ1 LYS A 12 -5.850 -6.215 7.561 1.00 4.04 H new ATOM 0 HZ2 LYS A 12 -4.226 -5.732 7.682 1.00 4.04 H new ATOM 0 HZ3 LYS A 12 -5.461 -4.694 8.211 1.00 4.04 H new ATOM 206 N GLN A 13 -4.317 -5.316 0.639 1.00 24.30 N ATOM 207 CA GLN A 13 -4.052 -6.352 -0.359 1.00 11.22 C ATOM 208 C GLN A 13 -3.644 -5.700 -1.697 1.00 70.11 C ATOM 209 O GLN A 13 -2.610 -6.039 -2.252 1.00 61.20 O ATOM 210 CB GLN A 13 -5.286 -7.276 -0.532 1.00 65.10 C ATOM 211 CG GLN A 13 -5.118 -8.384 -1.597 1.00 51.52 C ATOM 212 CD GLN A 13 -6.321 -9.326 -1.739 1.00 44.13 C ATOM 213 OE1 GLN A 13 -6.157 -10.504 -2.066 1.00 70.45 O ATOM 214 NE2 GLN A 13 -7.538 -8.819 -1.534 1.00 63.30 N ATOM 0 H GLN A 13 -5.295 -5.260 0.923 1.00 24.30 H new ATOM 0 HA GLN A 13 -3.225 -6.973 -0.015 1.00 11.22 H new ATOM 0 HB2 GLN A 13 -5.510 -7.743 0.427 1.00 65.10 H new ATOM 0 HB3 GLN A 13 -6.148 -6.663 -0.797 1.00 65.10 H new ATOM 0 HG2 GLN A 13 -4.925 -7.915 -2.562 1.00 51.52 H new ATOM 0 HG3 GLN A 13 -4.237 -8.977 -1.349 1.00 51.52 H new ATOM 0 HE21 GLN A 13 -7.644 -7.841 -1.264 1.00 63.30 H new ATOM 0 HE22 GLN A 13 -8.362 -9.409 -1.647 1.00 63.30 H new ATOM 223 N VAL A 14 -4.434 -4.707 -2.153 1.00 22.04 N ATOM 224 CA VAL A 14 -4.161 -3.954 -3.406 1.00 35.25 C ATOM 225 C VAL A 14 -2.774 -3.257 -3.333 1.00 74.11 C ATOM 226 O VAL A 14 -2.064 -3.145 -4.334 1.00 61.22 O ATOM 227 CB VAL A 14 -5.304 -2.893 -3.683 1.00 15.24 C ATOM 228 CG1 VAL A 14 -5.078 -2.108 -4.996 1.00 24.12 C ATOM 229 CG2 VAL A 14 -6.701 -3.562 -3.700 1.00 52.43 C ATOM 0 H VAL A 14 -5.278 -4.401 -1.669 1.00 22.04 H new ATOM 0 HA VAL A 14 -4.146 -4.663 -4.234 1.00 35.25 H new ATOM 0 HB VAL A 14 -5.263 -2.179 -2.860 1.00 15.24 H new ATOM 0 HG11 VAL A 14 -5.890 -1.395 -5.138 1.00 24.12 H new ATOM 0 HG12 VAL A 14 -4.130 -1.573 -4.941 1.00 24.12 H new ATOM 0 HG13 VAL A 14 -5.055 -2.803 -5.836 1.00 24.12 H new ATOM 0 HG21 VAL A 14 -7.464 -2.807 -3.892 1.00 52.43 H new ATOM 0 HG22 VAL A 14 -6.733 -4.318 -4.484 1.00 52.43 H new ATOM 0 HG23 VAL A 14 -6.891 -4.032 -2.735 1.00 52.43 H new ATOM 239 N ALA A 15 -2.396 -2.852 -2.113 1.00 51.15 N ATOM 240 CA ALA A 15 -1.126 -2.171 -1.824 1.00 61.41 C ATOM 241 C ALA A 15 0.081 -3.140 -1.896 1.00 3.42 C ATOM 242 O ALA A 15 1.078 -2.851 -2.577 1.00 65.32 O ATOM 243 CB ALA A 15 -1.216 -1.509 -0.440 1.00 51.51 C ATOM 0 H ALA A 15 -2.974 -2.991 -1.284 1.00 51.15 H new ATOM 0 HA ALA A 15 -0.960 -1.409 -2.585 1.00 61.41 H new ATOM 0 HB1 ALA A 15 -0.277 -1.001 -0.218 1.00 51.51 H new ATOM 0 HB2 ALA A 15 -2.030 -0.784 -0.435 1.00 51.51 H new ATOM 0 HB3 ALA A 15 -1.404 -2.271 0.316 1.00 51.51 H new ATOM 249 N LYS A 16 -0.050 -4.299 -1.208 1.00 34.31 N ATOM 250 CA LYS A 16 1.046 -5.280 -1.052 1.00 75.43 C ATOM 251 C LYS A 16 1.376 -5.965 -2.380 1.00 52.13 C ATOM 252 O LYS A 16 2.544 -6.209 -2.664 1.00 61.41 O ATOM 253 CB LYS A 16 0.701 -6.333 0.052 1.00 1.32 C ATOM 254 CG LYS A 16 -0.451 -7.308 -0.282 1.00 40.05 C ATOM 255 CD LYS A 16 -0.836 -8.257 0.880 1.00 64.11 C ATOM 256 CE LYS A 16 0.254 -9.295 1.199 1.00 10.42 C ATOM 257 NZ LYS A 16 0.561 -10.163 0.023 1.00 44.03 N ATOM 0 H LYS A 16 -0.916 -4.578 -0.747 1.00 34.31 H new ATOM 0 HA LYS A 16 1.934 -4.735 -0.733 1.00 75.43 H new ATOM 0 HB2 LYS A 16 1.597 -6.918 0.262 1.00 1.32 H new ATOM 0 HB3 LYS A 16 0.446 -5.800 0.968 1.00 1.32 H new ATOM 0 HG2 LYS A 16 -1.329 -6.730 -0.570 1.00 40.05 H new ATOM 0 HG3 LYS A 16 -0.166 -7.907 -1.147 1.00 40.05 H new ATOM 0 HD2 LYS A 16 -1.038 -7.665 1.773 1.00 64.11 H new ATOM 0 HD3 LYS A 16 -1.760 -8.776 0.626 1.00 64.11 H new ATOM 0 HE2 LYS A 16 1.161 -8.782 1.518 1.00 10.42 H new ATOM 0 HE3 LYS A 16 -0.070 -9.917 2.034 1.00 10.42 H new ATOM 0 HZ1 LYS A 16 0.451 -11.162 0.291 1.00 44.03 H new ATOM 0 HZ2 LYS A 16 -0.093 -9.939 -0.754 1.00 44.03 H new ATOM 0 HZ3 LYS A 16 1.539 -9.994 -0.288 1.00 44.03 H new ATOM 271 N GLU A 17 0.333 -6.231 -3.199 1.00 74.11 N ATOM 272 CA GLU A 17 0.484 -6.925 -4.488 1.00 2.41 C ATOM 273 C GLU A 17 1.321 -6.086 -5.465 1.00 30.24 C ATOM 274 O GLU A 17 2.165 -6.632 -6.170 1.00 62.50 O ATOM 275 CB GLU A 17 -0.898 -7.265 -5.110 1.00 24.14 C ATOM 276 CG GLU A 17 -1.788 -8.193 -4.251 1.00 3.23 C ATOM 277 CD GLU A 17 -1.153 -9.557 -3.917 1.00 1.40 C ATOM 278 OE1 GLU A 17 -1.289 -10.499 -4.729 1.00 24.43 O ATOM 279 OE2 GLU A 17 -0.549 -9.703 -2.827 1.00 35.23 O ATOM 0 H GLU A 17 -0.629 -5.970 -2.982 1.00 74.11 H new ATOM 0 HA GLU A 17 1.009 -7.862 -4.300 1.00 2.41 H new ATOM 0 HB2 GLU A 17 -1.437 -6.335 -5.292 1.00 24.14 H new ATOM 0 HB3 GLU A 17 -0.738 -7.735 -6.080 1.00 24.14 H new ATOM 0 HG2 GLU A 17 -2.031 -7.682 -3.320 1.00 3.23 H new ATOM 0 HG3 GLU A 17 -2.728 -8.363 -4.777 1.00 3.23 H new ATOM 286 N LYS A 18 1.099 -4.756 -5.464 1.00 14.20 N ATOM 287 CA LYS A 18 1.805 -3.819 -6.362 1.00 33.44 C ATOM 288 C LYS A 18 3.264 -3.603 -5.919 1.00 51.35 C ATOM 289 O LYS A 18 4.138 -3.328 -6.745 1.00 71.03 O ATOM 290 CB LYS A 18 1.044 -2.472 -6.449 1.00 42.21 C ATOM 291 CG LYS A 18 -0.414 -2.597 -6.956 1.00 3.44 C ATOM 292 CD LYS A 18 -0.551 -3.303 -8.329 1.00 4.52 C ATOM 293 CE LYS A 18 0.105 -2.527 -9.485 1.00 21.02 C ATOM 294 NZ LYS A 18 -0.492 -1.174 -9.662 1.00 75.13 N ATOM 0 H LYS A 18 0.428 -4.303 -4.844 1.00 14.20 H new ATOM 0 HA LYS A 18 1.831 -4.264 -7.357 1.00 33.44 H new ATOM 0 HB2 LYS A 18 1.035 -2.008 -5.463 1.00 42.21 H new ATOM 0 HB3 LYS A 18 1.591 -1.801 -7.112 1.00 42.21 H new ATOM 0 HG2 LYS A 18 -0.998 -3.147 -6.218 1.00 3.44 H new ATOM 0 HG3 LYS A 18 -0.849 -1.600 -7.028 1.00 3.44 H new ATOM 0 HD2 LYS A 18 -0.102 -4.294 -8.266 1.00 4.52 H new ATOM 0 HD3 LYS A 18 -1.608 -3.446 -8.551 1.00 4.52 H new ATOM 0 HE2 LYS A 18 1.174 -2.429 -9.295 1.00 21.02 H new ATOM 0 HE3 LYS A 18 -0.003 -3.094 -10.409 1.00 21.02 H new ATOM 0 HZ1 LYS A 18 -0.118 -0.740 -10.530 1.00 75.13 H new ATOM 0 HZ2 LYS A 18 -1.526 -1.258 -9.734 1.00 75.13 H new ATOM 0 HZ3 LYS A 18 -0.249 -0.578 -8.845 1.00 75.13 H new ATOM 308 N LEU A 19 3.512 -3.712 -4.605 1.00 21.34 N ATOM 309 CA LEU A 19 4.875 -3.721 -4.042 1.00 22.54 C ATOM 310 C LEU A 19 5.615 -5.037 -4.376 1.00 60.00 C ATOM 311 O LEU A 19 6.838 -5.035 -4.558 1.00 20.31 O ATOM 312 CB LEU A 19 4.814 -3.465 -2.516 1.00 62.50 C ATOM 313 CG LEU A 19 4.479 -2.000 -2.103 1.00 1.40 C ATOM 314 CD1 LEU A 19 4.353 -1.859 -0.585 1.00 34.41 C ATOM 315 CD2 LEU A 19 5.534 -1.027 -2.649 1.00 40.04 C ATOM 0 H LEU A 19 2.777 -3.796 -3.903 1.00 21.34 H new ATOM 0 HA LEU A 19 5.449 -2.916 -4.501 1.00 22.54 H new ATOM 0 HB2 LEU A 19 4.066 -4.128 -2.082 1.00 62.50 H new ATOM 0 HB3 LEU A 19 5.774 -3.738 -2.079 1.00 62.50 H new ATOM 0 HG LEU A 19 3.513 -1.748 -2.541 1.00 1.40 H new ATOM 0 HD11 LEU A 19 4.119 -0.824 -0.334 1.00 34.41 H new ATOM 0 HD12 LEU A 19 3.556 -2.509 -0.224 1.00 34.41 H new ATOM 0 HD13 LEU A 19 5.294 -2.143 -0.114 1.00 34.41 H new ATOM 0 HD21 LEU A 19 5.281 -0.010 -2.349 1.00 40.04 H new ATOM 0 HD22 LEU A 19 6.513 -1.290 -2.249 1.00 40.04 H new ATOM 0 HD23 LEU A 19 5.558 -1.089 -3.737 1.00 40.04 H new ATOM 327 N LEU A 20 4.856 -6.149 -4.471 1.00 62.42 N ATOM 328 CA LEU A 20 5.382 -7.456 -4.927 1.00 44.11 C ATOM 329 C LEU A 20 5.684 -7.411 -6.438 1.00 24.22 C ATOM 330 O LEU A 20 6.614 -8.074 -6.894 1.00 72.33 O ATOM 331 CB LEU A 20 4.371 -8.594 -4.609 1.00 42.54 C ATOM 332 CG LEU A 20 4.140 -8.909 -3.098 1.00 44.10 C ATOM 333 CD1 LEU A 20 2.891 -9.798 -2.897 1.00 14.41 C ATOM 334 CD2 LEU A 20 5.394 -9.546 -2.453 1.00 32.15 C ATOM 0 H LEU A 20 3.864 -6.168 -4.235 1.00 62.42 H new ATOM 0 HA LEU A 20 6.309 -7.662 -4.391 1.00 44.11 H new ATOM 0 HB2 LEU A 20 3.411 -8.334 -5.055 1.00 42.54 H new ATOM 0 HB3 LEU A 20 4.715 -9.504 -5.100 1.00 42.54 H new ATOM 0 HG LEU A 20 3.958 -7.962 -2.590 1.00 44.10 H new ATOM 0 HD11 LEU A 20 2.756 -10.001 -1.835 1.00 14.41 H new ATOM 0 HD12 LEU A 20 2.012 -9.283 -3.283 1.00 14.41 H new ATOM 0 HD13 LEU A 20 3.024 -10.739 -3.432 1.00 14.41 H new ATOM 0 HD21 LEU A 20 5.197 -9.752 -1.401 1.00 32.15 H new ATOM 0 HD22 LEU A 20 5.634 -10.477 -2.966 1.00 32.15 H new ATOM 0 HD23 LEU A 20 6.235 -8.858 -2.537 1.00 32.15 H new ATOM 346 N GLU A 21 4.886 -6.619 -7.203 1.00 40.22 N ATOM 347 CA GLU A 21 5.105 -6.408 -8.654 1.00 33.41 C ATOM 348 C GLU A 21 6.473 -5.742 -8.897 1.00 40.51 C ATOM 349 O GLU A 21 7.229 -6.147 -9.786 1.00 64.01 O ATOM 350 CB GLU A 21 3.981 -5.527 -9.285 1.00 1.54 C ATOM 351 CG GLU A 21 2.567 -6.143 -9.274 1.00 4.24 C ATOM 352 CD GLU A 21 2.460 -7.452 -10.074 1.00 43.12 C ATOM 353 OE1 GLU A 21 2.555 -8.545 -9.477 1.00 62.12 O ATOM 354 OE2 GLU A 21 2.288 -7.391 -11.313 1.00 71.24 O ATOM 0 H GLU A 21 4.081 -6.114 -6.832 1.00 40.22 H new ATOM 0 HA GLU A 21 5.082 -7.387 -9.132 1.00 33.41 H new ATOM 0 HB2 GLU A 21 3.948 -4.576 -8.753 1.00 1.54 H new ATOM 0 HB3 GLU A 21 4.254 -5.306 -10.317 1.00 1.54 H new ATOM 0 HG2 GLU A 21 2.270 -6.332 -8.242 1.00 4.24 H new ATOM 0 HG3 GLU A 21 1.861 -5.419 -9.681 1.00 4.24 H new ATOM 361 N GLN A 22 6.764 -4.716 -8.073 1.00 4.13 N ATOM 362 CA GLN A 22 8.010 -3.931 -8.146 1.00 61.34 C ATOM 363 C GLN A 22 9.218 -4.750 -7.672 1.00 33.33 C ATOM 364 O GLN A 22 10.286 -4.719 -8.299 1.00 2.44 O ATOM 365 CB GLN A 22 7.872 -2.647 -7.293 1.00 31.45 C ATOM 366 CG GLN A 22 6.784 -1.678 -7.788 1.00 43.55 C ATOM 367 CD GLN A 22 6.620 -0.473 -6.871 1.00 11.35 C ATOM 368 OE1 GLN A 22 7.265 0.562 -7.049 1.00 54.32 O ATOM 369 NE2 GLN A 22 5.780 -0.604 -5.868 1.00 30.31 N ATOM 0 H GLN A 22 6.135 -4.407 -7.332 1.00 4.13 H new ATOM 0 HA GLN A 22 8.178 -3.660 -9.188 1.00 61.34 H new ATOM 0 HB2 GLN A 22 7.651 -2.929 -6.264 1.00 31.45 H new ATOM 0 HB3 GLN A 22 8.830 -2.126 -7.282 1.00 31.45 H new ATOM 0 HG2 GLN A 22 7.035 -1.336 -8.792 1.00 43.55 H new ATOM 0 HG3 GLN A 22 5.834 -2.208 -7.860 1.00 43.55 H new ATOM 0 HE21 GLN A 22 5.261 -1.474 -5.748 1.00 30.31 H new ATOM 0 HE22 GLN A 22 5.648 0.164 -5.210 1.00 30.31 H new ATOM 378 N SER A 23 9.031 -5.491 -6.567 1.00 40.11 N ATOM 379 CA SER A 23 10.097 -6.296 -5.960 1.00 45.31 C ATOM 380 C SER A 23 9.548 -7.661 -5.503 1.00 4.43 C ATOM 381 O SER A 23 9.013 -7.784 -4.390 1.00 74.11 O ATOM 382 CB SER A 23 10.752 -5.530 -4.785 1.00 41.00 C ATOM 383 OG SER A 23 11.888 -6.219 -4.282 1.00 62.23 O ATOM 0 H SER A 23 8.140 -5.547 -6.074 1.00 40.11 H new ATOM 0 HA SER A 23 10.867 -6.480 -6.709 1.00 45.31 H new ATOM 0 HB2 SER A 23 11.047 -4.535 -5.118 1.00 41.00 H new ATOM 0 HB3 SER A 23 10.023 -5.396 -3.986 1.00 41.00 H new ATOM 0 HG SER A 23 11.888 -6.179 -3.303 1.00 62.23 H new ATOM 389 N PRO A 24 9.620 -8.702 -6.391 1.00 35.10 N ATOM 390 CA PRO A 24 9.417 -10.124 -5.991 1.00 12.13 C ATOM 391 C PRO A 24 10.616 -10.661 -5.175 1.00 4.42 C ATOM 392 O PRO A 24 10.542 -11.736 -4.567 1.00 22.44 O ATOM 393 CB PRO A 24 9.283 -10.852 -7.353 1.00 44.35 C ATOM 394 CG PRO A 24 10.077 -10.009 -8.307 1.00 73.33 C ATOM 395 CD PRO A 24 9.855 -8.578 -7.864 1.00 3.21 C ATOM 0 HA PRO A 24 8.553 -10.267 -5.342 1.00 12.13 H new ATOM 0 HB2 PRO A 24 9.674 -11.868 -7.301 1.00 44.35 H new ATOM 0 HB3 PRO A 24 8.241 -10.927 -7.662 1.00 44.35 H new ATOM 0 HG2 PRO A 24 11.135 -10.270 -8.275 1.00 73.33 H new ATOM 0 HG3 PRO A 24 9.743 -10.158 -9.334 1.00 73.33 H new ATOM 0 HD2 PRO A 24 10.720 -7.952 -8.081 1.00 3.21 H new ATOM 0 HD3 PRO A 24 9.001 -8.129 -8.371 1.00 3.21 H new ATOM 403 N ASN A 25 11.716 -9.880 -5.189 1.00 23.02 N ATOM 404 CA ASN A 25 12.954 -10.166 -4.451 1.00 2.33 C ATOM 405 C ASN A 25 12.750 -10.001 -2.936 1.00 71.43 C ATOM 406 O ASN A 25 13.465 -10.610 -2.133 1.00 34.43 O ATOM 407 CB ASN A 25 14.080 -9.213 -4.951 1.00 71.43 C ATOM 408 CG ASN A 25 14.338 -9.280 -6.465 1.00 44.01 C ATOM 409 OD1 ASN A 25 14.696 -8.277 -7.092 1.00 73.02 O ATOM 410 ND2 ASN A 25 14.182 -10.450 -7.076 1.00 63.42 N ATOM 0 H ASN A 25 11.765 -9.015 -5.727 1.00 23.02 H new ATOM 0 HA ASN A 25 13.240 -11.202 -4.635 1.00 2.33 H new ATOM 0 HB2 ASN A 25 13.819 -8.189 -4.684 1.00 71.43 H new ATOM 0 HB3 ASN A 25 15.004 -9.454 -4.426 1.00 71.43 H new ATOM 0 HD21 ASN A 25 14.358 -10.530 -8.077 1.00 63.42 H new ATOM 0 HD22 ASN A 25 13.886 -11.268 -6.543 1.00 63.42 H new ATOM 417 N SER A 26 11.762 -9.172 -2.562 1.00 14.05 N ATOM 418 CA SER A 26 11.462 -8.840 -1.162 1.00 73.23 C ATOM 419 C SER A 26 10.062 -9.321 -0.779 1.00 12.55 C ATOM 420 O SER A 26 9.140 -9.299 -1.607 1.00 25.20 O ATOM 421 CB SER A 26 11.542 -7.316 -0.978 1.00 72.03 C ATOM 422 OG SER A 26 12.717 -6.809 -1.559 1.00 3.10 O ATOM 0 H SER A 26 11.144 -8.710 -3.230 1.00 14.05 H new ATOM 0 HA SER A 26 12.189 -9.337 -0.520 1.00 73.23 H new ATOM 0 HB2 SER A 26 10.672 -6.843 -1.433 1.00 72.03 H new ATOM 0 HB3 SER A 26 11.520 -7.071 0.084 1.00 72.03 H new ATOM 0 HG SER A 26 13.101 -6.123 -0.974 1.00 3.10 H new ATOM 428 N LYS A 27 9.903 -9.733 0.486 1.00 23.31 N ATOM 429 CA LYS A 27 8.593 -10.068 1.050 1.00 11.11 C ATOM 430 C LYS A 27 8.060 -8.819 1.761 1.00 32.54 C ATOM 431 O LYS A 27 8.706 -8.295 2.677 1.00 0.43 O ATOM 432 CB LYS A 27 8.689 -11.272 2.011 1.00 32.11 C ATOM 433 CG LYS A 27 7.322 -11.756 2.562 1.00 50.32 C ATOM 434 CD LYS A 27 7.433 -13.068 3.374 1.00 5.24 C ATOM 435 CE LYS A 27 7.972 -14.242 2.530 1.00 32.45 C ATOM 436 NZ LYS A 27 8.124 -15.488 3.327 1.00 31.02 N ATOM 0 H LYS A 27 10.676 -9.842 1.142 1.00 23.31 H new ATOM 0 HA LYS A 27 7.906 -10.365 0.258 1.00 11.11 H new ATOM 0 HB2 LYS A 27 9.172 -12.100 1.492 1.00 32.11 H new ATOM 0 HB3 LYS A 27 9.331 -11.003 2.849 1.00 32.11 H new ATOM 0 HG2 LYS A 27 6.894 -10.978 3.194 1.00 50.32 H new ATOM 0 HG3 LYS A 27 6.633 -11.906 1.731 1.00 50.32 H new ATOM 0 HD2 LYS A 27 8.090 -12.908 4.229 1.00 5.24 H new ATOM 0 HD3 LYS A 27 6.452 -13.330 3.770 1.00 5.24 H new ATOM 0 HE2 LYS A 27 7.295 -14.427 1.696 1.00 32.45 H new ATOM 0 HE3 LYS A 27 8.936 -13.967 2.103 1.00 32.45 H new ATOM 0 HZ1 LYS A 27 8.489 -16.248 2.717 1.00 31.02 H new ATOM 0 HZ2 LYS A 27 8.790 -15.321 4.108 1.00 31.02 H new ATOM 0 HZ3 LYS A 27 7.200 -15.768 3.714 1.00 31.02 H new ATOM 450 N VAL A 28 6.894 -8.349 1.317 1.00 41.01 N ATOM 451 CA VAL A 28 6.297 -7.088 1.769 1.00 74.35 C ATOM 452 C VAL A 28 5.255 -7.377 2.865 1.00 55.04 C ATOM 453 O VAL A 28 4.453 -8.304 2.730 1.00 44.14 O ATOM 454 CB VAL A 28 5.617 -6.346 0.560 1.00 43.34 C ATOM 455 CG1 VAL A 28 5.044 -4.981 0.984 1.00 62.14 C ATOM 456 CG2 VAL A 28 6.597 -6.211 -0.635 1.00 55.54 C ATOM 0 H VAL A 28 6.328 -8.839 0.624 1.00 41.01 H new ATOM 0 HA VAL A 28 7.079 -6.447 2.175 1.00 74.35 H new ATOM 0 HB VAL A 28 4.777 -6.955 0.228 1.00 43.34 H new ATOM 0 HG11 VAL A 28 4.582 -4.497 0.123 1.00 62.14 H new ATOM 0 HG12 VAL A 28 4.296 -5.127 1.763 1.00 62.14 H new ATOM 0 HG13 VAL A 28 5.848 -4.352 1.366 1.00 62.14 H new ATOM 0 HG21 VAL A 28 6.100 -5.694 -1.456 1.00 55.54 H new ATOM 0 HG22 VAL A 28 7.473 -5.641 -0.325 1.00 55.54 H new ATOM 0 HG23 VAL A 28 6.907 -7.202 -0.965 1.00 55.54 H new ATOM 466 N GLN A 29 5.277 -6.588 3.943 1.00 33.35 N ATOM 467 CA GLN A 29 4.363 -6.751 5.088 1.00 10.22 C ATOM 468 C GLN A 29 3.740 -5.397 5.435 1.00 60.20 C ATOM 469 O GLN A 29 4.456 -4.402 5.512 1.00 34.55 O ATOM 470 CB GLN A 29 5.139 -7.333 6.300 1.00 73.11 C ATOM 471 CG GLN A 29 4.310 -7.503 7.595 1.00 11.20 C ATOM 472 CD GLN A 29 3.084 -8.417 7.436 1.00 41.20 C ATOM 473 OE1 GLN A 29 3.078 -9.357 6.634 1.00 21.43 O ATOM 474 NE2 GLN A 29 2.037 -8.145 8.192 1.00 62.13 N ATOM 0 H GLN A 29 5.931 -5.813 4.051 1.00 33.35 H new ATOM 0 HA GLN A 29 3.564 -7.446 4.829 1.00 10.22 H new ATOM 0 HB2 GLN A 29 5.545 -8.304 6.018 1.00 73.11 H new ATOM 0 HB3 GLN A 29 5.987 -6.683 6.514 1.00 73.11 H new ATOM 0 HG2 GLN A 29 4.954 -7.908 8.376 1.00 11.20 H new ATOM 0 HG3 GLN A 29 3.978 -6.522 7.933 1.00 11.20 H new ATOM 0 HE21 GLN A 29 2.069 -7.363 8.846 1.00 62.13 H new ATOM 0 HE22 GLN A 29 1.195 -8.717 8.123 1.00 62.13 H new ATOM 483 N VAL A 30 2.409 -5.373 5.644 1.00 52.13 N ATOM 484 CA VAL A 30 1.671 -4.146 5.990 1.00 62.03 C ATOM 485 C VAL A 30 2.205 -3.549 7.310 1.00 75.13 C ATOM 486 O VAL A 30 2.155 -4.204 8.359 1.00 63.30 O ATOM 487 CB VAL A 30 0.122 -4.405 6.097 1.00 42.23 C ATOM 488 CG1 VAL A 30 -0.640 -3.093 6.408 1.00 23.31 C ATOM 489 CG2 VAL A 30 -0.424 -5.083 4.811 1.00 30.35 C ATOM 0 H VAL A 30 1.818 -6.202 5.578 1.00 52.13 H new ATOM 0 HA VAL A 30 1.832 -3.430 5.184 1.00 62.03 H new ATOM 0 HB VAL A 30 -0.046 -5.091 6.927 1.00 42.23 H new ATOM 0 HG11 VAL A 30 -1.708 -3.300 6.477 1.00 23.31 H new ATOM 0 HG12 VAL A 30 -0.288 -2.684 7.355 1.00 23.31 H new ATOM 0 HG13 VAL A 30 -0.461 -2.371 5.612 1.00 23.31 H new ATOM 0 HG21 VAL A 30 -1.496 -5.249 4.915 1.00 30.35 H new ATOM 0 HG22 VAL A 30 -0.238 -4.438 3.952 1.00 30.35 H new ATOM 0 HG23 VAL A 30 0.079 -6.039 4.662 1.00 30.35 H new ATOM 499 N ARG A 31 2.722 -2.315 7.228 1.00 3.22 N ATOM 500 CA ARG A 31 3.407 -1.643 8.348 1.00 4.12 C ATOM 501 C ARG A 31 2.386 -0.840 9.174 1.00 13.12 C ATOM 502 O ARG A 31 2.313 -0.982 10.403 1.00 25.51 O ATOM 503 CB ARG A 31 4.536 -0.725 7.794 1.00 12.12 C ATOM 504 CG ARG A 31 5.458 -0.086 8.858 1.00 62.23 C ATOM 505 CD ARG A 31 6.236 -1.131 9.682 1.00 1.12 C ATOM 506 NE ARG A 31 7.086 -0.498 10.703 1.00 73.21 N ATOM 507 CZ ARG A 31 7.419 -1.034 11.890 1.00 5.32 C ATOM 508 NH1 ARG A 31 6.983 -2.244 12.256 1.00 10.33 N ATOM 509 NH2 ARG A 31 8.193 -0.346 12.716 1.00 53.34 N ATOM 0 H ARG A 31 2.678 -1.750 6.380 1.00 3.22 H new ATOM 0 HA ARG A 31 3.863 -2.385 9.003 1.00 4.12 H new ATOM 0 HB2 ARG A 31 5.151 -1.309 7.109 1.00 12.12 H new ATOM 0 HB3 ARG A 31 4.077 0.073 7.210 1.00 12.12 H new ATOM 0 HG2 ARG A 31 6.165 0.581 8.365 1.00 62.23 H new ATOM 0 HG3 ARG A 31 4.858 0.527 9.531 1.00 62.23 H new ATOM 0 HD2 ARG A 31 5.533 -1.810 10.164 1.00 1.12 H new ATOM 0 HD3 ARG A 31 6.855 -1.732 9.016 1.00 1.12 H new ATOM 0 HE ARG A 31 7.455 0.429 10.491 1.00 73.21 H new ATOM 0 HH11 ARG A 31 6.384 -2.781 11.629 1.00 10.33 H new ATOM 0 HH12 ARG A 31 7.249 -2.630 13.162 1.00 10.33 H new ATOM 0 HH21 ARG A 31 8.529 0.579 12.448 1.00 53.34 H new ATOM 0 HH22 ARG A 31 8.453 -0.741 13.620 1.00 53.34 H new ATOM 523 N ARG A 32 1.571 -0.032 8.469 1.00 11.42 N ATOM 524 CA ARG A 32 0.550 0.839 9.079 1.00 34.34 C ATOM 525 C ARG A 32 -0.492 1.243 8.018 1.00 11.51 C ATOM 526 O ARG A 32 -0.184 1.294 6.834 1.00 32.11 O ATOM 527 CB ARG A 32 1.220 2.106 9.701 1.00 5.15 C ATOM 528 CG ARG A 32 0.269 3.008 10.518 1.00 61.14 C ATOM 529 CD ARG A 32 0.965 4.242 11.125 1.00 41.30 C ATOM 530 NE ARG A 32 0.086 4.944 12.085 1.00 25.22 N ATOM 531 CZ ARG A 32 0.401 5.252 13.358 1.00 54.23 C ATOM 532 NH1 ARG A 32 1.593 4.937 13.870 1.00 22.34 N ATOM 533 NH2 ARG A 32 -0.501 5.841 14.131 1.00 41.12 N ATOM 0 H ARG A 32 1.604 0.034 7.452 1.00 11.42 H new ATOM 0 HA ARG A 32 0.046 0.293 9.876 1.00 34.34 H new ATOM 0 HB2 ARG A 32 2.039 1.787 10.346 1.00 5.15 H new ATOM 0 HB3 ARG A 32 1.659 2.698 8.898 1.00 5.15 H new ATOM 0 HG2 ARG A 32 -0.546 3.340 9.875 1.00 61.14 H new ATOM 0 HG3 ARG A 32 -0.177 2.420 11.321 1.00 61.14 H new ATOM 0 HD2 ARG A 32 1.881 3.933 11.628 1.00 41.30 H new ATOM 0 HD3 ARG A 32 1.254 4.927 10.328 1.00 41.30 H new ATOM 0 HE ARG A 32 -0.839 5.219 11.755 1.00 25.22 H new ATOM 0 HH11 ARG A 32 2.284 4.455 13.295 1.00 22.34 H new ATOM 0 HH12 ARG A 32 1.813 5.179 14.836 1.00 22.34 H new ATOM 0 HH21 ARG A 32 -1.426 6.058 13.761 1.00 41.12 H new ATOM 0 HH22 ARG A 32 -0.270 6.077 15.096 1.00 41.12 H new ATOM 547 N VAL A 33 -1.739 1.504 8.449 1.00 23.54 N ATOM 548 CA VAL A 33 -2.815 2.031 7.577 1.00 11.03 C ATOM 549 C VAL A 33 -3.208 3.438 8.053 1.00 75.02 C ATOM 550 O VAL A 33 -3.483 3.641 9.244 1.00 61.53 O ATOM 551 CB VAL A 33 -4.085 1.095 7.576 1.00 40.14 C ATOM 552 CG1 VAL A 33 -5.209 1.651 6.666 1.00 1.24 C ATOM 553 CG2 VAL A 33 -3.705 -0.336 7.155 1.00 34.53 C ATOM 0 H VAL A 33 -2.034 1.356 9.414 1.00 23.54 H new ATOM 0 HA VAL A 33 -2.434 2.069 6.556 1.00 11.03 H new ATOM 0 HB VAL A 33 -4.472 1.068 8.595 1.00 40.14 H new ATOM 0 HG11 VAL A 33 -6.066 0.977 6.693 1.00 1.24 H new ATOM 0 HG12 VAL A 33 -5.511 2.636 7.021 1.00 1.24 H new ATOM 0 HG13 VAL A 33 -4.842 1.731 5.643 1.00 1.24 H new ATOM 0 HG21 VAL A 33 -4.595 -0.965 7.161 1.00 34.53 H new ATOM 0 HG22 VAL A 33 -3.279 -0.319 6.152 1.00 34.53 H new ATOM 0 HG23 VAL A 33 -2.972 -0.738 7.854 1.00 34.53 H new ATOM 563 N GLN A 34 -3.219 4.389 7.121 1.00 2.51 N ATOM 564 CA GLN A 34 -3.636 5.779 7.350 1.00 34.13 C ATOM 565 C GLN A 34 -4.870 6.053 6.473 1.00 22.13 C ATOM 566 O GLN A 34 -4.917 5.625 5.318 1.00 72.11 O ATOM 567 CB GLN A 34 -2.464 6.746 6.994 1.00 24.43 C ATOM 568 CG GLN A 34 -2.768 8.257 7.154 1.00 54.30 C ATOM 569 CD GLN A 34 -3.240 8.643 8.561 1.00 61.45 C ATOM 570 OE1 GLN A 34 -4.443 8.695 8.839 1.00 4.32 O ATOM 571 NE2 GLN A 34 -2.304 8.866 9.472 1.00 62.10 N ATOM 0 H GLN A 34 -2.931 4.214 6.158 1.00 2.51 H new ATOM 0 HA GLN A 34 -3.891 5.942 8.397 1.00 34.13 H new ATOM 0 HB2 GLN A 34 -1.609 6.498 7.622 1.00 24.43 H new ATOM 0 HB3 GLN A 34 -2.166 6.561 5.962 1.00 24.43 H new ATOM 0 HG2 GLN A 34 -1.871 8.827 6.912 1.00 54.30 H new ATOM 0 HG3 GLN A 34 -3.533 8.544 6.432 1.00 54.30 H new ATOM 0 HE21 GLN A 34 -1.319 8.816 9.213 1.00 62.10 H new ATOM 0 HE22 GLN A 34 -2.569 9.087 10.432 1.00 62.10 H new ATOM 580 N LYS A 35 -5.870 6.743 7.031 1.00 42.23 N ATOM 581 CA LYS A 35 -7.117 7.083 6.325 1.00 34.30 C ATOM 582 C LYS A 35 -7.077 8.596 6.022 1.00 2.44 C ATOM 583 O LYS A 35 -6.964 9.405 6.945 1.00 64.42 O ATOM 584 CB LYS A 35 -8.338 6.681 7.225 1.00 2.44 C ATOM 585 CG LYS A 35 -9.697 6.442 6.506 1.00 2.34 C ATOM 586 CD LYS A 35 -10.327 7.712 5.884 1.00 54.21 C ATOM 587 CE LYS A 35 -11.750 7.473 5.346 1.00 64.14 C ATOM 588 NZ LYS A 35 -12.735 7.235 6.426 1.00 52.24 N ATOM 0 H LYS A 35 -5.840 7.085 7.991 1.00 42.23 H new ATOM 0 HA LYS A 35 -7.221 6.542 5.385 1.00 34.30 H new ATOM 0 HB2 LYS A 35 -8.076 5.771 7.765 1.00 2.44 H new ATOM 0 HB3 LYS A 35 -8.482 7.464 7.970 1.00 2.44 H new ATOM 0 HG2 LYS A 35 -9.552 5.701 5.720 1.00 2.34 H new ATOM 0 HG3 LYS A 35 -10.401 6.015 7.220 1.00 2.34 H new ATOM 0 HD2 LYS A 35 -10.356 8.502 6.634 1.00 54.21 H new ATOM 0 HD3 LYS A 35 -9.692 8.066 5.072 1.00 54.21 H new ATOM 0 HE2 LYS A 35 -12.062 8.337 4.759 1.00 64.14 H new ATOM 0 HE3 LYS A 35 -11.741 6.616 4.673 1.00 64.14 H new ATOM 0 HZ1 LYS A 35 -13.689 7.164 6.017 1.00 52.24 H new ATOM 0 HZ2 LYS A 35 -12.503 6.349 6.918 1.00 52.24 H new ATOM 0 HZ3 LYS A 35 -12.706 8.025 7.102 1.00 52.24 H new ATOM 602 N GLN A 36 -7.136 8.958 4.726 1.00 51.42 N ATOM 603 CA GLN A 36 -7.111 10.360 4.265 1.00 63.11 C ATOM 604 C GLN A 36 -8.271 10.579 3.265 1.00 24.03 C ATOM 605 O GLN A 36 -8.079 10.591 2.036 1.00 71.33 O ATOM 606 CB GLN A 36 -5.722 10.691 3.640 1.00 63.23 C ATOM 607 CG GLN A 36 -5.555 12.147 3.170 1.00 62.33 C ATOM 608 CD GLN A 36 -4.207 12.404 2.501 1.00 5.30 C ATOM 609 OE1 GLN A 36 -4.059 12.220 1.290 1.00 3.03 O ATOM 610 NE2 GLN A 36 -3.215 12.826 3.273 1.00 41.12 N ATOM 0 H GLN A 36 -7.203 8.282 3.965 1.00 51.42 H new ATOM 0 HA GLN A 36 -7.253 11.041 5.104 1.00 63.11 H new ATOM 0 HB2 GLN A 36 -4.947 10.470 4.374 1.00 63.23 H new ATOM 0 HB3 GLN A 36 -5.555 10.029 2.791 1.00 63.23 H new ATOM 0 HG2 GLN A 36 -6.355 12.392 2.471 1.00 62.33 H new ATOM 0 HG3 GLN A 36 -5.664 12.814 4.025 1.00 62.33 H new ATOM 0 HE21 GLN A 36 -3.371 12.968 4.271 1.00 41.12 H new ATOM 0 HE22 GLN A 36 -2.296 13.008 2.869 1.00 41.12 H new ATOM 619 N GLY A 37 -9.493 10.677 3.825 1.00 40.20 N ATOM 620 CA GLY A 37 -10.718 10.858 3.045 1.00 0.31 C ATOM 621 C GLY A 37 -11.004 9.682 2.115 1.00 32.41 C ATOM 622 O GLY A 37 -11.233 8.564 2.570 1.00 13.44 O ATOM 0 H GLY A 37 -9.651 10.632 4.832 1.00 40.20 H new ATOM 0 HA2 GLY A 37 -11.560 10.992 3.724 1.00 0.31 H new ATOM 0 HA3 GLY A 37 -10.637 11.771 2.455 1.00 0.31 H new ATOM 626 N ASN A 38 -10.954 9.929 0.807 1.00 21.21 N ATOM 627 CA ASN A 38 -11.222 8.901 -0.219 1.00 14.32 C ATOM 628 C ASN A 38 -9.969 8.052 -0.485 1.00 52.12 C ATOM 629 O ASN A 38 -10.071 6.933 -0.983 1.00 51.10 O ATOM 630 CB ASN A 38 -11.733 9.568 -1.523 1.00 54.52 C ATOM 631 CG ASN A 38 -12.939 10.483 -1.272 1.00 30.44 C ATOM 632 OD1 ASN A 38 -12.793 11.693 -1.094 1.00 4.52 O ATOM 633 ND2 ASN A 38 -14.132 9.911 -1.195 1.00 34.13 N ATOM 0 H ASN A 38 -10.727 10.845 0.420 1.00 21.21 H new ATOM 0 HA ASN A 38 -11.999 8.233 0.152 1.00 14.32 H new ATOM 0 HB2 ASN A 38 -10.927 10.148 -1.973 1.00 54.52 H new ATOM 0 HB3 ASN A 38 -12.009 8.795 -2.241 1.00 54.52 H new ATOM 0 HD21 ASN A 38 -14.955 10.475 -0.984 1.00 34.13 H new ATOM 0 HD22 ASN A 38 -14.227 8.907 -1.347 1.00 34.13 H new ATOM 640 N THR A 39 -8.790 8.598 -0.139 1.00 73.22 N ATOM 641 CA THR A 39 -7.493 7.939 -0.349 1.00 14.25 C ATOM 642 C THR A 39 -6.987 7.304 0.961 1.00 65.14 C ATOM 643 O THR A 39 -6.535 8.008 1.872 1.00 54.45 O ATOM 644 CB THR A 39 -6.442 8.969 -0.882 1.00 50.34 C ATOM 645 OG1 THR A 39 -6.982 9.675 -2.016 1.00 23.42 O ATOM 646 CG2 THR A 39 -5.113 8.301 -1.285 1.00 24.34 C ATOM 0 H THR A 39 -8.712 9.517 0.298 1.00 73.22 H new ATOM 0 HA THR A 39 -7.626 7.151 -1.090 1.00 14.25 H new ATOM 0 HB THR A 39 -6.230 9.661 -0.067 1.00 50.34 H new ATOM 0 HG1 THR A 39 -6.321 10.320 -2.345 1.00 23.42 H new ATOM 0 HG21 THR A 39 -4.420 9.060 -1.648 1.00 24.34 H new ATOM 0 HG22 THR A 39 -4.681 7.799 -0.419 1.00 24.34 H new ATOM 0 HG23 THR A 39 -5.297 7.571 -2.074 1.00 24.34 H new ATOM 654 N ILE A 40 -7.097 5.975 1.058 1.00 4.11 N ATOM 655 CA ILE A 40 -6.522 5.206 2.165 1.00 22.04 C ATOM 656 C ILE A 40 -5.037 4.922 1.855 1.00 43.54 C ATOM 657 O ILE A 40 -4.710 4.155 0.940 1.00 64.44 O ATOM 658 CB ILE A 40 -7.312 3.869 2.400 1.00 32.15 C ATOM 659 CG1 ILE A 40 -8.815 4.172 2.709 1.00 73.14 C ATOM 660 CG2 ILE A 40 -6.664 3.028 3.530 1.00 11.41 C ATOM 661 CD1 ILE A 40 -9.709 2.947 2.816 1.00 61.45 C ATOM 0 H ILE A 40 -7.587 5.403 0.371 1.00 4.11 H new ATOM 0 HA ILE A 40 -6.598 5.787 3.084 1.00 22.04 H new ATOM 0 HB ILE A 40 -7.265 3.277 1.486 1.00 32.15 H new ATOM 0 HG12 ILE A 40 -8.873 4.728 3.645 1.00 73.14 H new ATOM 0 HG13 ILE A 40 -9.207 4.822 1.927 1.00 73.14 H new ATOM 0 HG21 ILE A 40 -7.232 2.108 3.671 1.00 11.41 H new ATOM 0 HG22 ILE A 40 -5.637 2.782 3.258 1.00 11.41 H new ATOM 0 HG23 ILE A 40 -6.666 3.601 4.457 1.00 11.41 H new ATOM 0 HD11 ILE A 40 -10.731 3.260 3.032 1.00 61.45 H new ATOM 0 HD12 ILE A 40 -9.689 2.398 1.874 1.00 61.45 H new ATOM 0 HD13 ILE A 40 -9.349 2.303 3.619 1.00 61.45 H new ATOM 673 N ARG A 41 -4.160 5.594 2.605 1.00 64.31 N ATOM 674 CA ARG A 41 -2.708 5.484 2.467 1.00 54.40 C ATOM 675 C ARG A 41 -2.180 4.346 3.352 1.00 44.23 C ATOM 676 O ARG A 41 -1.949 4.540 4.548 1.00 43.45 O ATOM 677 CB ARG A 41 -2.058 6.827 2.893 1.00 1.30 C ATOM 678 CG ARG A 41 -2.409 8.042 2.013 1.00 31.12 C ATOM 679 CD ARG A 41 -1.719 9.329 2.514 1.00 62.03 C ATOM 680 NE ARG A 41 -1.598 10.365 1.474 1.00 11.23 N ATOM 681 CZ ARG A 41 -0.701 11.369 1.493 1.00 70.50 C ATOM 682 NH1 ARG A 41 0.167 11.494 2.494 1.00 31.22 N ATOM 683 NH2 ARG A 41 -0.655 12.223 0.486 1.00 33.53 N ATOM 0 H ARG A 41 -4.446 6.242 3.339 1.00 64.31 H new ATOM 0 HA ARG A 41 -2.456 5.265 1.429 1.00 54.40 H new ATOM 0 HB2 ARG A 41 -2.355 7.045 3.919 1.00 1.30 H new ATOM 0 HB3 ARG A 41 -0.975 6.702 2.895 1.00 1.30 H new ATOM 0 HG2 ARG A 41 -2.108 7.845 0.984 1.00 31.12 H new ATOM 0 HG3 ARG A 41 -3.489 8.187 2.007 1.00 31.12 H new ATOM 0 HD2 ARG A 41 -2.283 9.732 3.355 1.00 62.03 H new ATOM 0 HD3 ARG A 41 -0.725 9.079 2.887 1.00 62.03 H new ATOM 0 HE ARG A 41 -2.240 10.319 0.683 1.00 11.23 H new ATOM 0 HH11 ARG A 41 0.159 10.823 3.262 1.00 31.22 H new ATOM 0 HH12 ARG A 41 0.840 12.261 2.493 1.00 31.22 H new ATOM 0 HH21 ARG A 41 -1.297 12.120 -0.300 1.00 33.53 H new ATOM 0 HH22 ARG A 41 0.022 12.986 0.495 1.00 33.53 H new ATOM 697 N VAL A 42 -2.008 3.155 2.774 1.00 24.41 N ATOM 698 CA VAL A 42 -1.438 2.007 3.499 1.00 72.23 C ATOM 699 C VAL A 42 0.089 2.041 3.370 1.00 23.43 C ATOM 700 O VAL A 42 0.622 1.877 2.271 1.00 61.54 O ATOM 701 CB VAL A 42 -1.990 0.629 2.973 1.00 65.32 C ATOM 702 CG1 VAL A 42 -1.415 -0.567 3.779 1.00 44.55 C ATOM 703 CG2 VAL A 42 -3.524 0.607 3.002 1.00 31.42 C ATOM 0 H VAL A 42 -2.254 2.956 1.804 1.00 24.41 H new ATOM 0 HA VAL A 42 -1.735 2.091 4.544 1.00 72.23 H new ATOM 0 HB VAL A 42 -1.660 0.522 1.940 1.00 65.32 H new ATOM 0 HG11 VAL A 42 -1.820 -1.499 3.385 1.00 44.55 H new ATOM 0 HG12 VAL A 42 -0.329 -0.577 3.690 1.00 44.55 H new ATOM 0 HG13 VAL A 42 -1.692 -0.465 4.828 1.00 44.55 H new ATOM 0 HG21 VAL A 42 -3.881 -0.355 2.634 1.00 31.42 H new ATOM 0 HG22 VAL A 42 -3.871 0.756 4.025 1.00 31.42 H new ATOM 0 HG23 VAL A 42 -3.911 1.404 2.368 1.00 31.42 H new ATOM 713 N GLU A 43 0.771 2.322 4.486 1.00 50.01 N ATOM 714 CA GLU A 43 2.230 2.167 4.591 1.00 31.23 C ATOM 715 C GLU A 43 2.576 0.678 4.745 1.00 22.04 C ATOM 716 O GLU A 43 1.928 -0.033 5.516 1.00 61.41 O ATOM 717 CB GLU A 43 2.785 2.959 5.800 1.00 65.01 C ATOM 718 CG GLU A 43 2.539 4.477 5.732 1.00 73.24 C ATOM 719 CD GLU A 43 3.220 5.234 6.878 1.00 11.23 C ATOM 720 OE1 GLU A 43 2.532 5.687 7.823 1.00 45.24 O ATOM 721 OE2 GLU A 43 4.471 5.349 6.858 1.00 73.03 O ATOM 0 H GLU A 43 0.331 2.662 5.341 1.00 50.01 H new ATOM 0 HA GLU A 43 2.687 2.562 3.684 1.00 31.23 H new ATOM 0 HB2 GLU A 43 2.332 2.570 6.712 1.00 65.01 H new ATOM 0 HB3 GLU A 43 3.858 2.780 5.875 1.00 65.01 H new ATOM 0 HG2 GLU A 43 2.906 4.859 4.780 1.00 73.24 H new ATOM 0 HG3 GLU A 43 1.467 4.670 5.760 1.00 73.24 H new ATOM 728 N LEU A 44 3.570 0.197 3.993 1.00 31.04 N ATOM 729 CA LEU A 44 4.081 -1.186 4.119 1.00 41.44 C ATOM 730 C LEU A 44 5.602 -1.169 4.197 1.00 25.21 C ATOM 731 O LEU A 44 6.233 -0.152 3.941 1.00 24.12 O ATOM 732 CB LEU A 44 3.630 -2.111 2.955 1.00 45.33 C ATOM 733 CG LEU A 44 2.088 -2.207 2.688 1.00 35.32 C ATOM 734 CD1 LEU A 44 1.596 -1.096 1.752 1.00 1.44 C ATOM 735 CD2 LEU A 44 1.685 -3.587 2.152 1.00 53.33 C ATOM 0 H LEU A 44 4.047 0.748 3.279 1.00 31.04 H new ATOM 0 HA LEU A 44 3.656 -1.596 5.035 1.00 41.44 H new ATOM 0 HB2 LEU A 44 4.113 -1.767 2.040 1.00 45.33 H new ATOM 0 HB3 LEU A 44 4.004 -3.115 3.154 1.00 45.33 H new ATOM 0 HG LEU A 44 1.599 -2.068 3.652 1.00 35.32 H new ATOM 0 HD11 LEU A 44 0.523 -1.201 1.595 1.00 1.44 H new ATOM 0 HD12 LEU A 44 1.803 -0.124 2.200 1.00 1.44 H new ATOM 0 HD13 LEU A 44 2.112 -1.172 0.795 1.00 1.44 H new ATOM 0 HD21 LEU A 44 0.609 -3.611 1.981 1.00 53.33 H new ATOM 0 HD22 LEU A 44 2.206 -3.779 1.214 1.00 53.33 H new ATOM 0 HD23 LEU A 44 1.953 -4.353 2.880 1.00 53.33 H new ATOM 747 N GLU A 45 6.173 -2.312 4.550 1.00 14.55 N ATOM 748 CA GLU A 45 7.609 -2.493 4.688 1.00 53.42 C ATOM 749 C GLU A 45 8.076 -3.402 3.539 1.00 23.44 C ATOM 750 O GLU A 45 7.497 -4.469 3.315 1.00 24.34 O ATOM 751 CB GLU A 45 7.907 -3.097 6.093 1.00 62.43 C ATOM 752 CG GLU A 45 9.369 -2.959 6.575 1.00 72.43 C ATOM 753 CD GLU A 45 10.385 -3.826 5.800 1.00 65.31 C ATOM 754 OE1 GLU A 45 11.351 -3.285 5.218 1.00 44.50 O ATOM 755 OE2 GLU A 45 10.216 -5.065 5.784 1.00 5.13 O ATOM 0 H GLU A 45 5.638 -3.157 4.753 1.00 14.55 H new ATOM 0 HA GLU A 45 8.153 -1.551 4.622 1.00 53.42 H new ATOM 0 HB2 GLU A 45 7.255 -2.617 6.822 1.00 62.43 H new ATOM 0 HB3 GLU A 45 7.645 -4.155 6.078 1.00 62.43 H new ATOM 0 HG2 GLU A 45 9.667 -1.914 6.495 1.00 72.43 H new ATOM 0 HG3 GLU A 45 9.416 -3.224 7.631 1.00 72.43 H new ATOM 762 N LEU A 46 9.123 -2.966 2.838 1.00 34.52 N ATOM 763 CA LEU A 46 9.722 -3.674 1.695 1.00 40.14 C ATOM 764 C LEU A 46 11.236 -3.520 1.835 1.00 3.33 C ATOM 765 O LEU A 46 11.745 -2.415 2.118 1.00 20.45 O ATOM 766 CB LEU A 46 9.172 -3.102 0.345 1.00 33.01 C ATOM 767 CG LEU A 46 9.552 -3.804 -1.022 1.00 34.55 C ATOM 768 CD1 LEU A 46 8.622 -3.322 -2.160 1.00 52.02 C ATOM 769 CD2 LEU A 46 11.028 -3.576 -1.440 1.00 0.44 C ATOM 0 H LEU A 46 9.594 -2.087 3.052 1.00 34.52 H new ATOM 0 HA LEU A 46 9.462 -4.733 1.688 1.00 40.14 H new ATOM 0 HB2 LEU A 46 8.084 -3.094 0.415 1.00 33.01 H new ATOM 0 HB3 LEU A 46 9.494 -2.063 0.277 1.00 33.01 H new ATOM 0 HG LEU A 46 9.421 -4.873 -0.854 1.00 34.55 H new ATOM 0 HD11 LEU A 46 8.900 -3.816 -3.091 1.00 52.02 H new ATOM 0 HD12 LEU A 46 7.589 -3.566 -1.914 1.00 52.02 H new ATOM 0 HD13 LEU A 46 8.721 -2.243 -2.279 1.00 52.02 H new ATOM 0 HD21 LEU A 46 11.221 -4.084 -2.385 1.00 0.44 H new ATOM 0 HD22 LEU A 46 11.212 -2.508 -1.558 1.00 0.44 H new ATOM 0 HD23 LEU A 46 11.690 -3.976 -0.671 1.00 0.44 H new ATOM 781 N ARG A 47 11.947 -4.628 1.621 1.00 52.51 N ATOM 782 CA ARG A 47 13.358 -4.754 1.971 1.00 34.54 C ATOM 783 C ARG A 47 14.237 -4.639 0.717 1.00 43.51 C ATOM 784 O ARG A 47 14.391 -5.610 -0.011 1.00 0.21 O ATOM 785 CB ARG A 47 13.552 -6.133 2.674 1.00 35.42 C ATOM 786 CG ARG A 47 12.532 -6.372 3.802 1.00 61.34 C ATOM 787 CD ARG A 47 12.727 -7.675 4.588 1.00 13.01 C ATOM 788 NE ARG A 47 11.848 -7.677 5.769 1.00 74.02 N ATOM 789 CZ ARG A 47 11.572 -8.721 6.555 1.00 32.45 C ATOM 790 NH1 ARG A 47 12.092 -9.920 6.327 1.00 64.22 N ATOM 791 NH2 ARG A 47 10.800 -8.534 7.611 1.00 70.30 N ATOM 0 H ARG A 47 11.555 -5.468 1.196 1.00 52.51 H new ATOM 0 HA ARG A 47 13.658 -3.951 2.644 1.00 34.54 H new ATOM 0 HB2 ARG A 47 13.463 -6.929 1.935 1.00 35.42 H new ATOM 0 HB3 ARG A 47 14.561 -6.189 3.084 1.00 35.42 H new ATOM 0 HG2 ARG A 47 12.580 -5.535 4.498 1.00 61.34 H new ATOM 0 HG3 ARG A 47 11.531 -6.371 3.372 1.00 61.34 H new ATOM 0 HD2 ARG A 47 12.501 -8.532 3.953 1.00 13.01 H new ATOM 0 HD3 ARG A 47 13.768 -7.773 4.897 1.00 13.01 H new ATOM 0 HE ARG A 47 11.405 -6.791 6.012 1.00 74.02 H new ATOM 0 HH11 ARG A 47 12.719 -10.062 5.535 1.00 64.22 H new ATOM 0 HH12 ARG A 47 11.864 -10.700 6.943 1.00 64.22 H new ATOM 0 HH21 ARG A 47 10.427 -7.606 7.813 1.00 70.30 H new ATOM 0 HH22 ARG A 47 10.577 -9.318 8.225 1.00 70.30 H new ATOM 862 N LYS A 52 15.394 -1.492 5.158 1.00 21.24 N ATOM 863 CA LYS A 52 14.027 -1.209 5.611 1.00 2.14 C ATOM 864 C LYS A 52 13.567 0.145 5.060 1.00 62.22 C ATOM 865 O LYS A 52 14.150 1.183 5.400 1.00 1.42 O ATOM 866 CB LYS A 52 13.995 -1.233 7.174 1.00 75.43 C ATOM 867 CG LYS A 52 12.599 -1.400 7.841 1.00 34.23 C ATOM 868 CD LYS A 52 11.642 -0.177 7.757 1.00 73.44 C ATOM 869 CE LYS A 52 12.077 1.039 8.607 1.00 4.21 C ATOM 870 NZ LYS A 52 13.306 1.711 8.105 1.00 61.00 N ATOM 0 HA LYS A 52 13.340 -1.969 5.238 1.00 2.14 H new ATOM 0 HB2 LYS A 52 14.635 -2.047 7.515 1.00 75.43 H new ATOM 0 HB3 LYS A 52 14.437 -0.306 7.538 1.00 75.43 H new ATOM 0 HG2 LYS A 52 12.102 -2.255 7.383 1.00 34.23 H new ATOM 0 HG3 LYS A 52 12.750 -1.644 8.893 1.00 34.23 H new ATOM 0 HD2 LYS A 52 11.562 0.134 6.715 1.00 73.44 H new ATOM 0 HD3 LYS A 52 10.647 -0.488 8.074 1.00 73.44 H new ATOM 0 HE2 LYS A 52 11.263 1.763 8.633 1.00 4.21 H new ATOM 0 HE3 LYS A 52 12.246 0.712 9.633 1.00 4.21 H new ATOM 0 HZ1 LYS A 52 13.204 2.741 8.206 1.00 61.00 H new ATOM 0 HZ2 LYS A 52 14.127 1.388 8.655 1.00 61.00 H new ATOM 0 HZ3 LYS A 52 13.446 1.474 7.102 1.00 61.00 H new ATOM 884 N GLU A 53 12.535 0.123 4.202 1.00 5.22 N ATOM 885 CA GLU A 53 11.839 1.343 3.735 1.00 32.21 C ATOM 886 C GLU A 53 10.323 1.175 3.913 1.00 41.44 C ATOM 887 O GLU A 53 9.774 0.092 3.661 1.00 53.31 O ATOM 888 CB GLU A 53 12.146 1.699 2.242 1.00 35.53 C ATOM 889 CG GLU A 53 13.536 2.320 1.967 1.00 22.22 C ATOM 890 CD GLU A 53 14.710 1.330 2.035 1.00 32.31 C ATOM 891 OE1 GLU A 53 15.706 1.600 2.737 1.00 15.13 O ATOM 892 OE2 GLU A 53 14.649 0.289 1.358 1.00 11.21 O ATOM 0 H GLU A 53 12.156 -0.739 3.810 1.00 5.22 H new ATOM 0 HA GLU A 53 12.213 2.166 4.344 1.00 32.21 H new ATOM 0 HB2 GLU A 53 12.050 0.792 1.645 1.00 35.53 H new ATOM 0 HB3 GLU A 53 11.383 2.394 1.890 1.00 35.53 H new ATOM 0 HG2 GLU A 53 13.524 2.780 0.979 1.00 22.22 H new ATOM 0 HG3 GLU A 53 13.710 3.119 2.688 1.00 22.22 H new ATOM 899 N ASN A 54 9.667 2.258 4.360 1.00 4.24 N ATOM 900 CA ASN A 54 8.199 2.355 4.440 1.00 63.14 C ATOM 901 C ASN A 54 7.660 2.985 3.136 1.00 41.41 C ATOM 902 O ASN A 54 8.067 4.087 2.750 1.00 61.11 O ATOM 903 CB ASN A 54 7.764 3.199 5.676 1.00 64.13 C ATOM 904 CG ASN A 54 8.092 2.536 7.021 1.00 41.31 C ATOM 905 OD1 ASN A 54 9.064 1.799 7.154 1.00 22.52 O ATOM 906 ND2 ASN A 54 7.290 2.801 8.039 1.00 43.45 N ATOM 0 H ASN A 54 10.145 3.100 4.680 1.00 4.24 H new ATOM 0 HA ASN A 54 7.782 1.355 4.559 1.00 63.14 H new ATOM 0 HB2 ASN A 54 8.254 4.172 5.631 1.00 64.13 H new ATOM 0 HB3 ASN A 54 6.690 3.380 5.622 1.00 64.13 H new ATOM 0 HD21 ASN A 54 7.475 2.390 8.954 1.00 43.45 H new ATOM 0 HD22 ASN A 54 6.487 3.416 7.909 1.00 43.45 H new ATOM 913 N TYR A 55 6.768 2.258 2.454 1.00 33.10 N ATOM 914 CA TYR A 55 6.138 2.706 1.209 1.00 64.44 C ATOM 915 C TYR A 55 4.690 3.062 1.503 1.00 14.33 C ATOM 916 O TYR A 55 3.894 2.194 1.865 1.00 73.54 O ATOM 917 CB TYR A 55 6.185 1.574 0.149 1.00 14.41 C ATOM 918 CG TYR A 55 7.597 1.183 -0.298 1.00 2.33 C ATOM 919 CD1 TYR A 55 8.040 1.436 -1.595 1.00 32.30 C ATOM 920 CD2 TYR A 55 8.483 0.560 0.578 1.00 52.23 C ATOM 921 CE1 TYR A 55 9.310 1.069 -1.992 1.00 2.31 C ATOM 922 CE2 TYR A 55 9.743 0.209 0.186 1.00 5.00 C ATOM 923 CZ TYR A 55 10.157 0.456 -1.092 1.00 74.14 C ATOM 924 OH TYR A 55 11.431 0.091 -1.466 1.00 24.54 O ATOM 0 H TYR A 55 6.461 1.333 2.755 1.00 33.10 H new ATOM 0 HA TYR A 55 6.671 3.573 0.819 1.00 64.44 H new ATOM 0 HB2 TYR A 55 5.688 0.692 0.555 1.00 14.41 H new ATOM 0 HB3 TYR A 55 5.614 1.888 -0.725 1.00 14.41 H new ATOM 0 HD1 TYR A 55 7.382 1.925 -2.298 1.00 32.30 H new ATOM 0 HD2 TYR A 55 8.166 0.350 1.589 1.00 52.23 H new ATOM 0 HE1 TYR A 55 9.639 1.261 -3.003 1.00 2.31 H new ATOM 0 HE2 TYR A 55 10.413 -0.265 0.888 1.00 5.00 H new ATOM 0 HH TYR A 55 11.888 -0.327 -0.706 1.00 24.54 H new ATOM 934 N THR A 56 4.355 4.334 1.314 1.00 52.31 N ATOM 935 CA THR A 56 3.003 4.833 1.500 1.00 62.13 C ATOM 936 C THR A 56 2.266 4.677 0.170 1.00 14.13 C ATOM 937 O THR A 56 2.426 5.487 -0.754 1.00 51.04 O ATOM 938 CB THR A 56 3.037 6.327 1.960 1.00 22.00 C ATOM 939 OG1 THR A 56 3.894 6.450 3.108 1.00 44.21 O ATOM 940 CG2 THR A 56 1.642 6.874 2.307 1.00 73.21 C ATOM 0 H THR A 56 5.021 5.050 1.025 1.00 52.31 H new ATOM 0 HA THR A 56 2.485 4.270 2.276 1.00 62.13 H new ATOM 0 HB THR A 56 3.418 6.915 1.125 1.00 22.00 H new ATOM 0 HG1 THR A 56 3.919 7.386 3.399 1.00 44.21 H new ATOM 0 HG21 THR A 56 1.727 7.915 2.620 1.00 73.21 H new ATOM 0 HG22 THR A 56 0.998 6.810 1.430 1.00 73.21 H new ATOM 0 HG23 THR A 56 1.212 6.286 3.117 1.00 73.21 H new ATOM 948 N VAL A 57 1.476 3.609 0.083 1.00 71.32 N ATOM 949 CA VAL A 57 0.723 3.270 -1.115 1.00 51.24 C ATOM 950 C VAL A 57 -0.653 3.918 -0.986 1.00 64.14 C ATOM 951 O VAL A 57 -1.510 3.475 -0.208 1.00 73.12 O ATOM 952 CB VAL A 57 0.600 1.713 -1.302 1.00 42.41 C ATOM 953 CG1 VAL A 57 -0.133 1.361 -2.620 1.00 44.24 C ATOM 954 CG2 VAL A 57 1.990 1.036 -1.238 1.00 32.51 C ATOM 0 H VAL A 57 1.342 2.951 0.851 1.00 71.32 H new ATOM 0 HA VAL A 57 1.241 3.642 -1.999 1.00 51.24 H new ATOM 0 HB VAL A 57 0.000 1.326 -0.478 1.00 42.41 H new ATOM 0 HG11 VAL A 57 -0.202 0.278 -2.720 1.00 44.24 H new ATOM 0 HG12 VAL A 57 -1.136 1.788 -2.604 1.00 44.24 H new ATOM 0 HG13 VAL A 57 0.422 1.769 -3.465 1.00 44.24 H new ATOM 0 HG21 VAL A 57 1.877 -0.040 -1.370 1.00 32.51 H new ATOM 0 HG22 VAL A 57 2.625 1.434 -2.029 1.00 32.51 H new ATOM 0 HG23 VAL A 57 2.448 1.237 -0.270 1.00 32.51 H new ATOM 964 N GLU A 58 -0.810 5.010 -1.724 1.00 32.42 N ATOM 965 CA GLU A 58 -1.989 5.860 -1.685 1.00 24.22 C ATOM 966 C GLU A 58 -3.043 5.285 -2.638 1.00 70.22 C ATOM 967 O GLU A 58 -2.923 5.403 -3.858 1.00 63.33 O ATOM 968 CB GLU A 58 -1.566 7.307 -2.060 1.00 20.32 C ATOM 969 CG GLU A 58 -0.446 7.870 -1.151 1.00 53.51 C ATOM 970 CD GLU A 58 -0.110 9.348 -1.383 1.00 4.20 C ATOM 971 OE1 GLU A 58 1.079 9.733 -1.245 1.00 41.41 O ATOM 972 OE2 GLU A 58 -1.033 10.151 -1.684 1.00 12.33 O ATOM 0 H GLU A 58 -0.102 5.335 -2.382 1.00 32.42 H new ATOM 0 HA GLU A 58 -2.432 5.892 -0.689 1.00 24.22 H new ATOM 0 HB2 GLU A 58 -1.227 7.323 -3.096 1.00 20.32 H new ATOM 0 HB3 GLU A 58 -2.437 7.960 -2.000 1.00 20.32 H new ATOM 0 HG2 GLU A 58 -0.742 7.739 -0.110 1.00 53.51 H new ATOM 0 HG3 GLU A 58 0.457 7.279 -1.303 1.00 53.51 H new ATOM 979 N VAL A 59 -4.037 4.595 -2.055 1.00 51.21 N ATOM 980 CA VAL A 59 -5.085 3.877 -2.797 1.00 14.51 C ATOM 981 C VAL A 59 -6.436 4.586 -2.568 1.00 63.41 C ATOM 982 O VAL A 59 -6.955 4.596 -1.446 1.00 35.33 O ATOM 983 CB VAL A 59 -5.177 2.379 -2.322 1.00 42.31 C ATOM 984 CG1 VAL A 59 -6.168 1.565 -3.182 1.00 34.44 C ATOM 985 CG2 VAL A 59 -3.788 1.693 -2.272 1.00 42.52 C ATOM 0 H VAL A 59 -4.136 4.520 -1.043 1.00 51.21 H new ATOM 0 HA VAL A 59 -4.838 3.881 -3.859 1.00 14.51 H new ATOM 0 HB VAL A 59 -5.563 2.401 -1.303 1.00 42.31 H new ATOM 0 HG11 VAL A 59 -6.203 0.537 -2.822 1.00 34.44 H new ATOM 0 HG12 VAL A 59 -7.161 2.008 -3.110 1.00 34.44 H new ATOM 0 HG13 VAL A 59 -5.841 1.575 -4.222 1.00 34.44 H new ATOM 0 HG21 VAL A 59 -3.903 0.662 -1.939 1.00 42.52 H new ATOM 0 HG22 VAL A 59 -3.340 1.705 -3.266 1.00 42.52 H new ATOM 0 HG23 VAL A 59 -3.142 2.229 -1.576 1.00 42.52 H new ATOM 995 N GLU A 60 -6.987 5.190 -3.631 1.00 41.32 N ATOM 996 CA GLU A 60 -8.216 6.006 -3.561 1.00 35.13 C ATOM 997 C GLU A 60 -9.417 5.250 -4.145 1.00 65.44 C ATOM 998 O GLU A 60 -9.266 4.420 -5.046 1.00 40.12 O ATOM 999 CB GLU A 60 -7.991 7.323 -4.326 1.00 20.34 C ATOM 1000 CG GLU A 60 -9.184 8.303 -4.373 1.00 51.52 C ATOM 1001 CD GLU A 60 -8.893 9.537 -5.237 1.00 13.14 C ATOM 1002 OE1 GLU A 60 -8.600 10.617 -4.686 1.00 72.31 O ATOM 1003 OE2 GLU A 60 -8.940 9.423 -6.481 1.00 52.24 O ATOM 0 H GLU A 60 -6.593 5.128 -4.570 1.00 41.32 H new ATOM 0 HA GLU A 60 -8.437 6.220 -2.515 1.00 35.13 H new ATOM 0 HB2 GLU A 60 -7.143 7.839 -3.876 1.00 20.34 H new ATOM 0 HB3 GLU A 60 -7.709 7.079 -5.350 1.00 20.34 H new ATOM 0 HG2 GLU A 60 -10.060 7.786 -4.765 1.00 51.52 H new ATOM 0 HG3 GLU A 60 -9.429 8.622 -3.360 1.00 51.52 H new ATOM 1010 N ARG A 61 -10.609 5.545 -3.604 1.00 24.42 N ATOM 1011 CA ARG A 61 -11.880 5.026 -4.109 1.00 1.23 C ATOM 1012 C ARG A 61 -12.275 5.802 -5.376 1.00 33.33 C ATOM 1013 O ARG A 61 -12.529 7.008 -5.319 1.00 13.05 O ATOM 1014 CB ARG A 61 -12.980 5.175 -3.024 1.00 20.21 C ATOM 1015 CG ARG A 61 -14.319 4.476 -3.344 1.00 2.24 C ATOM 1016 CD ARG A 61 -14.180 2.946 -3.462 1.00 62.12 C ATOM 1017 NE ARG A 61 -15.487 2.279 -3.415 1.00 12.24 N ATOM 1018 CZ ARG A 61 -15.711 1.044 -2.937 1.00 55.23 C ATOM 1019 NH1 ARG A 61 -14.713 0.306 -2.471 1.00 4.11 N ATOM 1020 NH2 ARG A 61 -16.945 0.559 -2.924 1.00 1.54 N ATOM 0 H ARG A 61 -10.714 6.158 -2.795 1.00 24.42 H new ATOM 0 HA ARG A 61 -11.773 3.969 -4.352 1.00 1.23 H new ATOM 0 HB2 ARG A 61 -12.597 4.778 -2.084 1.00 20.21 H new ATOM 0 HB3 ARG A 61 -13.171 6.237 -2.867 1.00 20.21 H new ATOM 0 HG2 ARG A 61 -15.042 4.711 -2.563 1.00 2.24 H new ATOM 0 HG3 ARG A 61 -14.717 4.873 -4.278 1.00 2.24 H new ATOM 0 HD2 ARG A 61 -13.677 2.697 -4.396 1.00 62.12 H new ATOM 0 HD3 ARG A 61 -13.552 2.574 -2.653 1.00 62.12 H new ATOM 0 HE ARG A 61 -16.290 2.795 -3.774 1.00 12.24 H new ATOM 0 HH11 ARG A 61 -13.762 0.675 -2.473 1.00 4.11 H new ATOM 0 HH12 ARG A 61 -14.896 -0.630 -2.111 1.00 4.11 H new ATOM 0 HH21 ARG A 61 -17.718 1.123 -3.276 1.00 1.54 H new ATOM 0 HH22 ARG A 61 -17.121 -0.378 -2.562 1.00 1.54 H new ATOM 1034 N GLN A 62 -12.251 5.116 -6.519 1.00 15.11 N ATOM 1035 CA GLN A 62 -12.770 5.637 -7.795 1.00 63.40 C ATOM 1036 C GLN A 62 -13.865 4.682 -8.283 1.00 63.11 C ATOM 1037 O GLN A 62 -13.586 3.516 -8.608 1.00 24.25 O ATOM 1038 CB GLN A 62 -11.624 5.807 -8.843 1.00 44.21 C ATOM 1039 CG GLN A 62 -10.634 6.956 -8.513 1.00 63.20 C ATOM 1040 CD GLN A 62 -9.679 7.341 -9.656 1.00 73.52 C ATOM 1041 OE1 GLN A 62 -9.272 8.503 -9.777 1.00 1.22 O ATOM 1042 NE2 GLN A 62 -9.288 6.382 -10.492 1.00 25.13 N ATOM 0 H GLN A 62 -11.868 4.173 -6.591 1.00 15.11 H new ATOM 0 HA GLN A 62 -13.195 6.631 -7.654 1.00 63.40 H new ATOM 0 HB2 GLN A 62 -11.069 4.872 -8.914 1.00 44.21 H new ATOM 0 HB3 GLN A 62 -12.065 5.991 -9.822 1.00 44.21 H new ATOM 0 HG2 GLN A 62 -11.207 7.838 -8.226 1.00 63.20 H new ATOM 0 HG3 GLN A 62 -10.040 6.666 -7.646 1.00 63.20 H new ATOM 0 HE21 GLN A 62 -9.635 5.430 -10.375 1.00 25.13 H new ATOM 0 HE22 GLN A 62 -8.641 6.599 -11.250 1.00 25.13 H new ATOM 1051 N GLY A 63 -15.116 5.179 -8.270 1.00 34.33 N ATOM 1052 CA GLY A 63 -16.293 4.382 -8.587 1.00 42.20 C ATOM 1053 C GLY A 63 -16.640 3.448 -7.434 1.00 4.12 C ATOM 1054 O GLY A 63 -17.075 3.899 -6.364 1.00 55.11 O ATOM 0 H GLY A 63 -15.329 6.149 -8.037 1.00 34.33 H new ATOM 0 HA2 GLY A 63 -17.137 5.039 -8.796 1.00 42.20 H new ATOM 0 HA3 GLY A 63 -16.111 3.800 -9.490 1.00 42.20 H new ATOM 1058 N ASN A 64 -16.423 2.145 -7.637 1.00 23.13 N ATOM 1059 CA ASN A 64 -16.632 1.114 -6.596 1.00 34.24 C ATOM 1060 C ASN A 64 -15.331 0.325 -6.375 1.00 50.05 C ATOM 1061 O ASN A 64 -15.308 -0.638 -5.600 1.00 62.22 O ATOM 1062 CB ASN A 64 -17.785 0.153 -7.004 1.00 12.21 C ATOM 1063 CG ASN A 64 -19.087 0.885 -7.352 1.00 1.21 C ATOM 1064 OD1 ASN A 64 -19.947 1.104 -6.498 1.00 40.14 O ATOM 1065 ND2 ASN A 64 -19.229 1.286 -8.608 1.00 22.34 N ATOM 0 H ASN A 64 -16.097 1.767 -8.526 1.00 23.13 H new ATOM 0 HA ASN A 64 -16.911 1.606 -5.664 1.00 34.24 H new ATOM 0 HB2 ASN A 64 -17.469 -0.440 -7.862 1.00 12.21 H new ATOM 0 HB3 ASN A 64 -17.975 -0.544 -6.188 1.00 12.21 H new ATOM 0 HD21 ASN A 64 -20.069 1.791 -8.890 1.00 22.34 H new ATOM 0 HD22 ASN A 64 -18.498 1.089 -9.292 1.00 22.34 H new ATOM 1072 N THR A 65 -14.239 0.759 -7.041 1.00 41.42 N ATOM 1073 CA THR A 65 -12.937 0.067 -7.003 1.00 1.52 C ATOM 1074 C THR A 65 -11.897 0.895 -6.226 1.00 23.41 C ATOM 1075 O THR A 65 -11.942 2.132 -6.237 1.00 74.43 O ATOM 1076 CB THR A 65 -12.413 -0.211 -8.460 1.00 74.44 C ATOM 1077 OG1 THR A 65 -12.304 1.019 -9.208 1.00 53.21 O ATOM 1078 CG2 THR A 65 -13.337 -1.178 -9.226 1.00 2.12 C ATOM 0 H THR A 65 -14.238 1.599 -7.619 1.00 41.42 H new ATOM 0 HA THR A 65 -13.081 -0.884 -6.490 1.00 1.52 H new ATOM 0 HB THR A 65 -11.430 -0.671 -8.358 1.00 74.44 H new ATOM 0 HG1 THR A 65 -12.714 1.749 -8.698 1.00 53.21 H new ATOM 0 HG21 THR A 65 -12.940 -1.344 -10.228 1.00 2.12 H new ATOM 0 HG22 THR A 65 -13.390 -2.128 -8.695 1.00 2.12 H new ATOM 0 HG23 THR A 65 -14.335 -0.747 -9.298 1.00 2.12 H new ATOM 1086 N TRP A 66 -10.969 0.193 -5.557 1.00 74.33 N ATOM 1087 CA TRP A 66 -9.815 0.793 -4.870 1.00 4.43 C ATOM 1088 C TRP A 66 -8.595 0.734 -5.805 1.00 13.50 C ATOM 1089 O TRP A 66 -8.085 -0.349 -6.101 1.00 61.30 O ATOM 1090 CB TRP A 66 -9.532 0.051 -3.536 1.00 42.32 C ATOM 1091 CG TRP A 66 -10.582 0.294 -2.480 1.00 15.13 C ATOM 1092 CD1 TRP A 66 -11.547 -0.570 -2.047 1.00 1.31 C ATOM 1093 CD2 TRP A 66 -10.763 1.506 -1.728 1.00 31.41 C ATOM 1094 NE1 TRP A 66 -12.310 0.029 -1.076 1.00 54.03 N ATOM 1095 CE2 TRP A 66 -11.847 1.301 -0.862 1.00 63.12 C ATOM 1096 CE3 TRP A 66 -10.100 2.736 -1.698 1.00 52.05 C ATOM 1097 CZ2 TRP A 66 -12.296 2.285 0.013 1.00 62.44 C ATOM 1098 CZ3 TRP A 66 -10.544 3.712 -0.829 1.00 11.23 C ATOM 1099 CH2 TRP A 66 -11.635 3.481 0.017 1.00 44.20 C ATOM 0 H TRP A 66 -11.000 -0.823 -5.477 1.00 74.33 H new ATOM 0 HA TRP A 66 -10.030 1.834 -4.627 1.00 4.43 H new ATOM 0 HB2 TRP A 66 -9.465 -1.019 -3.731 1.00 42.32 H new ATOM 0 HB3 TRP A 66 -8.562 0.366 -3.152 1.00 42.32 H new ATOM 0 HD1 TRP A 66 -11.689 -1.576 -2.414 1.00 1.31 H new ATOM 0 HE1 TRP A 66 -13.096 -0.404 -0.591 1.00 54.03 H new ATOM 0 HE3 TRP A 66 -9.254 2.920 -2.344 1.00 52.05 H new ATOM 0 HZ2 TRP A 66 -13.138 2.110 0.666 1.00 62.44 H new ATOM 0 HZ3 TRP A 66 -10.042 4.668 -0.801 1.00 11.23 H new ATOM 0 HH2 TRP A 66 -11.961 4.264 0.686 1.00 44.20 H new ATOM 1110 N THR A 67 -8.146 1.907 -6.264 1.00 54.54 N ATOM 1111 CA THR A 67 -7.087 2.035 -7.279 1.00 72.42 C ATOM 1112 C THR A 67 -5.828 2.690 -6.659 1.00 20.14 C ATOM 1113 O THR A 67 -5.930 3.694 -5.939 1.00 62.24 O ATOM 1114 CB THR A 67 -7.618 2.868 -8.506 1.00 32.32 C ATOM 1115 OG1 THR A 67 -6.673 2.840 -9.586 1.00 70.35 O ATOM 1116 CG2 THR A 67 -7.944 4.334 -8.141 1.00 22.52 C ATOM 0 H THR A 67 -8.509 2.804 -5.941 1.00 54.54 H new ATOM 0 HA THR A 67 -6.808 1.043 -7.635 1.00 72.42 H new ATOM 0 HB THR A 67 -8.548 2.393 -8.818 1.00 32.32 H new ATOM 0 HG1 THR A 67 -7.021 3.361 -10.339 1.00 70.35 H new ATOM 0 HG21 THR A 67 -8.305 4.858 -9.026 1.00 22.52 H new ATOM 0 HG22 THR A 67 -8.713 4.354 -7.368 1.00 22.52 H new ATOM 0 HG23 THR A 67 -7.044 4.825 -7.771 1.00 22.52 H new ATOM 1124 N VAL A 68 -4.651 2.078 -6.893 1.00 34.22 N ATOM 1125 CA VAL A 68 -3.359 2.645 -6.476 1.00 24.51 C ATOM 1126 C VAL A 68 -3.045 3.878 -7.338 1.00 53.51 C ATOM 1127 O VAL A 68 -2.775 3.758 -8.541 1.00 52.02 O ATOM 1128 CB VAL A 68 -2.183 1.602 -6.574 1.00 11.33 C ATOM 1129 CG1 VAL A 68 -0.826 2.236 -6.167 1.00 2.03 C ATOM 1130 CG2 VAL A 68 -2.480 0.351 -5.720 1.00 53.14 C ATOM 0 H VAL A 68 -4.572 1.182 -7.374 1.00 34.22 H new ATOM 0 HA VAL A 68 -3.443 2.929 -5.427 1.00 24.51 H new ATOM 0 HB VAL A 68 -2.106 1.293 -7.616 1.00 11.33 H new ATOM 0 HG11 VAL A 68 -0.037 1.488 -6.246 1.00 2.03 H new ATOM 0 HG12 VAL A 68 -0.602 3.072 -6.829 1.00 2.03 H new ATOM 0 HG13 VAL A 68 -0.885 2.593 -5.139 1.00 2.03 H new ATOM 0 HG21 VAL A 68 -1.652 -0.353 -5.806 1.00 53.14 H new ATOM 0 HG22 VAL A 68 -2.602 0.643 -4.677 1.00 53.14 H new ATOM 0 HG23 VAL A 68 -3.396 -0.122 -6.074 1.00 53.14 H new ATOM 1140 N LYS A 69 -3.154 5.055 -6.711 1.00 73.44 N ATOM 1141 CA LYS A 69 -2.822 6.349 -7.332 1.00 45.35 C ATOM 1142 C LYS A 69 -1.313 6.417 -7.598 1.00 63.22 C ATOM 1143 O LYS A 69 -0.871 6.660 -8.728 1.00 13.11 O ATOM 1144 CB LYS A 69 -3.258 7.505 -6.388 1.00 71.12 C ATOM 1145 CG LYS A 69 -4.732 7.434 -5.932 1.00 31.35 C ATOM 1146 CD LYS A 69 -5.746 7.619 -7.084 1.00 63.51 C ATOM 1147 CE LYS A 69 -5.736 9.045 -7.651 1.00 3.44 C ATOM 1148 NZ LYS A 69 -6.841 9.259 -8.613 1.00 31.52 N ATOM 0 H LYS A 69 -3.478 5.140 -5.748 1.00 73.44 H new ATOM 0 HA LYS A 69 -3.352 6.449 -8.279 1.00 45.35 H new ATOM 0 HB2 LYS A 69 -2.617 7.499 -5.506 1.00 71.12 H new ATOM 0 HB3 LYS A 69 -3.093 8.455 -6.896 1.00 71.12 H new ATOM 0 HG2 LYS A 69 -4.910 6.471 -5.454 1.00 31.35 H new ATOM 0 HG3 LYS A 69 -4.908 8.201 -5.178 1.00 31.35 H new ATOM 0 HD2 LYS A 69 -5.518 6.912 -7.882 1.00 63.51 H new ATOM 0 HD3 LYS A 69 -6.747 7.381 -6.724 1.00 63.51 H new ATOM 0 HE2 LYS A 69 -5.820 9.762 -6.834 1.00 3.44 H new ATOM 0 HE3 LYS A 69 -4.782 9.234 -8.144 1.00 3.44 H new ATOM 0 HZ1 LYS A 69 -6.473 9.195 -9.584 1.00 31.52 H new ATOM 0 HZ2 LYS A 69 -7.571 8.532 -8.471 1.00 31.52 H new ATOM 0 HZ3 LYS A 69 -7.256 10.200 -8.461 1.00 31.52 H new ATOM 1162 N ARG A 70 -0.548 6.154 -6.530 1.00 40.34 N ATOM 1163 CA ARG A 70 0.921 6.172 -6.547 1.00 51.43 C ATOM 1164 C ARG A 70 1.464 5.424 -5.321 1.00 32.02 C ATOM 1165 O ARG A 70 0.726 5.159 -4.359 1.00 34.24 O ATOM 1166 CB ARG A 70 1.460 7.631 -6.566 1.00 44.00 C ATOM 1167 CG ARG A 70 1.120 8.462 -5.311 1.00 21.13 C ATOM 1168 CD ARG A 70 1.680 9.894 -5.365 1.00 13.23 C ATOM 1169 NE ARG A 70 1.366 10.618 -4.130 1.00 25.45 N ATOM 1170 CZ ARG A 70 1.327 11.943 -3.975 1.00 20.11 C ATOM 1171 NH1 ARG A 70 1.581 12.766 -4.992 1.00 41.01 N ATOM 1172 NH2 ARG A 70 1.016 12.440 -2.784 1.00 42.21 N ATOM 0 H ARG A 70 -0.938 5.919 -5.617 1.00 40.34 H new ATOM 0 HA ARG A 70 1.262 5.673 -7.454 1.00 51.43 H new ATOM 0 HB2 ARG A 70 2.543 7.602 -6.683 1.00 44.00 H new ATOM 0 HB3 ARG A 70 1.058 8.141 -7.442 1.00 44.00 H new ATOM 0 HG2 ARG A 70 0.037 8.506 -5.194 1.00 21.13 H new ATOM 0 HG3 ARG A 70 1.515 7.957 -4.430 1.00 21.13 H new ATOM 0 HD2 ARG A 70 2.760 9.863 -5.510 1.00 13.23 H new ATOM 0 HD3 ARG A 70 1.259 10.423 -6.220 1.00 13.23 H new ATOM 0 HE ARG A 70 1.156 10.053 -3.307 1.00 25.45 H new ATOM 0 HH11 ARG A 70 1.811 12.386 -5.910 1.00 41.01 H new ATOM 0 HH12 ARG A 70 1.546 13.776 -4.852 1.00 41.01 H new ATOM 0 HH21 ARG A 70 0.812 11.812 -2.007 1.00 42.21 H new ATOM 0 HH22 ARG A 70 0.981 13.450 -2.646 1.00 42.21 H new ATOM 1186 N ILE A 71 2.761 5.091 -5.368 1.00 34.43 N ATOM 1187 CA ILE A 71 3.487 4.458 -4.257 1.00 12.12 C ATOM 1188 C ILE A 71 4.677 5.357 -3.872 1.00 14.30 C ATOM 1189 O ILE A 71 5.649 5.472 -4.631 1.00 22.32 O ATOM 1190 CB ILE A 71 3.959 2.997 -4.636 1.00 5.00 C ATOM 1191 CG1 ILE A 71 2.708 2.108 -4.949 1.00 11.25 C ATOM 1192 CG2 ILE A 71 4.831 2.379 -3.518 1.00 32.32 C ATOM 1193 CD1 ILE A 71 2.970 0.642 -5.229 1.00 35.15 C ATOM 0 H ILE A 71 3.344 5.256 -6.189 1.00 34.43 H new ATOM 0 HA ILE A 71 2.823 4.354 -3.399 1.00 12.12 H new ATOM 0 HB ILE A 71 4.583 3.048 -5.528 1.00 5.00 H new ATOM 0 HG12 ILE A 71 2.022 2.176 -4.105 1.00 11.25 H new ATOM 0 HG13 ILE A 71 2.195 2.533 -5.812 1.00 11.25 H new ATOM 0 HG21 ILE A 71 5.139 1.375 -3.810 1.00 32.32 H new ATOM 0 HG22 ILE A 71 5.714 2.998 -3.361 1.00 32.32 H new ATOM 0 HG23 ILE A 71 4.255 2.328 -2.594 1.00 32.32 H new ATOM 0 HD11 ILE A 71 2.026 0.136 -5.431 1.00 35.15 H new ATOM 0 HD12 ILE A 71 3.624 0.548 -6.096 1.00 35.15 H new ATOM 0 HD13 ILE A 71 3.448 0.186 -4.362 1.00 35.15 H new ATOM 1205 N THR A 72 4.564 6.021 -2.711 1.00 20.43 N ATOM 1206 CA THR A 72 5.561 6.979 -2.224 1.00 44.11 C ATOM 1207 C THR A 72 6.571 6.261 -1.301 1.00 3.32 C ATOM 1208 O THR A 72 6.256 5.951 -0.149 1.00 63.34 O ATOM 1209 CB THR A 72 4.843 8.151 -1.461 1.00 60.30 C ATOM 1210 OG1 THR A 72 3.831 8.726 -2.316 1.00 3.41 O ATOM 1211 CG2 THR A 72 5.827 9.255 -1.014 1.00 24.51 C ATOM 0 H THR A 72 3.770 5.905 -2.081 1.00 20.43 H new ATOM 0 HA THR A 72 6.106 7.399 -3.070 1.00 44.11 H new ATOM 0 HB THR A 72 4.394 7.731 -0.561 1.00 60.30 H new ATOM 0 HG1 THR A 72 3.049 8.972 -1.778 1.00 3.41 H new ATOM 0 HG21 THR A 72 5.280 10.040 -0.492 1.00 24.51 H new ATOM 0 HG22 THR A 72 6.574 8.827 -0.346 1.00 24.51 H new ATOM 0 HG23 THR A 72 6.322 9.677 -1.889 1.00 24.51 H new ATOM 1219 N ARG A 73 7.782 5.992 -1.820 1.00 55.14 N ATOM 1220 CA ARG A 73 8.879 5.394 -1.034 1.00 23.32 C ATOM 1221 C ARG A 73 9.552 6.479 -0.178 1.00 62.41 C ATOM 1222 O ARG A 73 9.827 7.578 -0.675 1.00 34.35 O ATOM 1223 CB ARG A 73 9.934 4.738 -1.973 1.00 23.53 C ATOM 1224 CG ARG A 73 11.118 4.056 -1.238 1.00 62.40 C ATOM 1225 CD ARG A 73 12.134 3.425 -2.202 1.00 5.35 C ATOM 1226 NE ARG A 73 13.193 2.666 -1.498 1.00 1.24 N ATOM 1227 CZ ARG A 73 14.513 2.785 -1.727 1.00 14.12 C ATOM 1228 NH1 ARG A 73 14.968 3.637 -2.641 1.00 22.12 N ATOM 1229 NH2 ARG A 73 15.374 2.018 -1.067 1.00 52.32 N ATOM 0 H ARG A 73 8.029 6.181 -2.791 1.00 55.14 H new ATOM 0 HA ARG A 73 8.463 4.622 -0.387 1.00 23.32 H new ATOM 0 HB2 ARG A 73 9.435 3.996 -2.596 1.00 23.53 H new ATOM 0 HB3 ARG A 73 10.330 5.502 -2.642 1.00 23.53 H new ATOM 0 HG2 ARG A 73 11.625 4.792 -0.614 1.00 62.40 H new ATOM 0 HG3 ARG A 73 10.730 3.286 -0.571 1.00 62.40 H new ATOM 0 HD2 ARG A 73 11.612 2.760 -2.890 1.00 5.35 H new ATOM 0 HD3 ARG A 73 12.593 4.209 -2.804 1.00 5.35 H new ATOM 0 HE ARG A 73 12.898 2.001 -0.783 1.00 1.24 H new ATOM 0 HH11 ARG A 73 14.314 4.208 -3.176 1.00 22.12 H new ATOM 0 HH12 ARG A 73 15.971 3.719 -2.807 1.00 22.12 H new ATOM 0 HH21 ARG A 73 15.034 1.339 -0.386 1.00 52.32 H new ATOM 0 HH22 ARG A 73 16.375 2.109 -1.241 1.00 52.32 H new ATOM 1243 N THR A 74 9.795 6.180 1.112 1.00 23.34 N ATOM 1244 CA THR A 74 10.613 7.039 1.980 1.00 13.53 C ATOM 1245 C THR A 74 12.105 6.689 1.791 1.00 30.31 C ATOM 1246 O THR A 74 12.447 5.544 1.452 1.00 74.23 O ATOM 1247 CB THR A 74 10.194 6.910 3.489 1.00 30.01 C ATOM 1248 OG1 THR A 74 10.787 7.973 4.251 1.00 25.13 O ATOM 1249 CG2 THR A 74 10.585 5.557 4.117 1.00 72.24 C ATOM 0 H THR A 74 9.434 5.346 1.575 1.00 23.34 H new ATOM 0 HA THR A 74 10.447 8.077 1.692 1.00 13.53 H new ATOM 0 HB THR A 74 9.106 6.974 3.515 1.00 30.01 H new ATOM 0 HG1 THR A 74 10.522 7.889 5.191 1.00 25.13 H new ATOM 0 HG21 THR A 74 10.267 5.534 5.159 1.00 72.24 H new ATOM 0 HG22 THR A 74 10.099 4.748 3.571 1.00 72.24 H new ATOM 0 HG23 THR A 74 11.666 5.431 4.065 1.00 72.24 H new