USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 744 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 14 LYS NZ :NH3+ -108:sc= -0.87 (180deg=-3.19!) USER MOD Set 1.2: A 144 GLN : amide:sc= 0.00791 K(o=-0.86,f=-8.2!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.0137 USER MOD Single : A 18 GLN : amide:sc= -4.77! C(o=-4.8!,f=-2.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -0.0822 (180deg=-0.422) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.219 K(o=-0.22,f=-4.9!) USER MOD Single : A 88 SER OG : rot 100:sc= 0.0412 USER MOD Single : A 102 THR OG1 : rot 176:sc= 1.28 USER MOD Single : A 109 THR OG1 : rot -157:sc= -0.179 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 143:sc= -0.182 (180deg=-0.93) USER MOD Single : A 138 MET CE :methyl 150:sc= -4.06! (180deg=-5.87!) USER MOD Single : A 141 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.499) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -2.076 7.810 11.095 1.00 72.41 N ATOM 57 CA VAL A 5 -1.478 6.774 10.272 1.00 14.22 C ATOM 58 C VAL A 5 -2.396 6.441 9.104 1.00 64.13 C ATOM 59 O VAL A 5 -3.610 6.312 9.277 1.00 35.43 O ATOM 60 CB VAL A 5 -1.180 5.505 11.102 1.00 72.03 C ATOM 61 CG1 VAL A 5 -0.692 4.373 10.218 1.00 51.32 C ATOM 62 CG2 VAL A 5 -0.163 5.815 12.190 1.00 24.24 C ATOM 0 HA VAL A 5 -0.531 7.150 9.884 1.00 14.22 H new ATOM 0 HB VAL A 5 -2.108 5.181 11.573 1.00 72.03 H new ATOM 0 HG11 VAL A 5 -0.491 3.494 10.830 1.00 51.32 H new ATOM 0 HG12 VAL A 5 -1.456 4.133 9.479 1.00 51.32 H new ATOM 0 HG13 VAL A 5 0.222 4.677 9.709 1.00 51.32 H new ATOM 0 HG21 VAL A 5 0.038 4.913 12.768 1.00 24.24 H new ATOM 0 HG22 VAL A 5 0.762 6.168 11.734 1.00 24.24 H new ATOM 0 HG23 VAL A 5 -0.560 6.587 12.849 1.00 24.24 H new ATOM 72 N VAL A 6 -1.815 6.301 7.919 1.00 70.21 N ATOM 73 CA VAL A 6 -2.592 6.111 6.706 1.00 72.32 C ATOM 74 C VAL A 6 -3.072 4.673 6.581 1.00 24.41 C ATOM 75 O VAL A 6 -2.271 3.739 6.500 1.00 44.25 O ATOM 76 CB VAL A 6 -1.782 6.489 5.447 1.00 13.24 C ATOM 77 CG1 VAL A 6 -2.627 6.325 4.188 1.00 71.41 C ATOM 78 CG2 VAL A 6 -1.255 7.912 5.557 1.00 53.14 C ATOM 0 H VAL A 6 -0.805 6.316 7.775 1.00 70.21 H new ATOM 0 HA VAL A 6 -3.455 6.772 6.779 1.00 72.32 H new ATOM 0 HB VAL A 6 -0.931 5.812 5.375 1.00 13.24 H new ATOM 0 HG11 VAL A 6 -2.035 6.597 3.314 1.00 71.41 H new ATOM 0 HG12 VAL A 6 -2.950 5.288 4.099 1.00 71.41 H new ATOM 0 HG13 VAL A 6 -3.501 6.973 4.250 1.00 71.41 H new ATOM 0 HG21 VAL A 6 -0.687 8.160 4.660 1.00 53.14 H new ATOM 0 HG22 VAL A 6 -2.092 8.603 5.659 1.00 53.14 H new ATOM 0 HG23 VAL A 6 -0.608 7.994 6.431 1.00 53.14 H new ATOM 88 N ARG A 7 -4.384 4.507 6.590 1.00 62.21 N ATOM 89 CA ARG A 7 -4.988 3.213 6.347 1.00 74.51 C ATOM 90 C ARG A 7 -6.228 3.373 5.484 1.00 23.32 C ATOM 91 O ARG A 7 -7.238 3.917 5.927 1.00 1.02 O ATOM 92 CB ARG A 7 -5.365 2.522 7.660 1.00 33.00 C ATOM 93 CG ARG A 7 -5.955 1.132 7.456 1.00 40.32 C ATOM 94 CD ARG A 7 -6.491 0.555 8.755 1.00 53.21 C ATOM 95 NE ARG A 7 -7.595 1.348 9.288 1.00 40.31 N ATOM 96 CZ ARG A 7 -7.863 1.477 10.587 1.00 13.23 C ATOM 97 NH1 ARG A 7 -7.137 0.827 11.491 1.00 75.22 N ATOM 98 NH2 ARG A 7 -8.861 2.255 10.984 1.00 53.01 N ATOM 0 H ARG A 7 -5.052 5.258 6.764 1.00 62.21 H new ATOM 0 HA ARG A 7 -4.257 2.593 5.829 1.00 74.51 H new ATOM 0 HB2 ARG A 7 -4.479 2.445 8.291 1.00 33.00 H new ATOM 0 HB3 ARG A 7 -6.085 3.141 8.196 1.00 33.00 H new ATOM 0 HG2 ARG A 7 -6.758 1.181 6.721 1.00 40.32 H new ATOM 0 HG3 ARG A 7 -5.192 0.468 7.050 1.00 40.32 H new ATOM 0 HD2 ARG A 7 -6.827 -0.468 8.586 1.00 53.21 H new ATOM 0 HD3 ARG A 7 -5.688 0.510 9.491 1.00 53.21 H new ATOM 0 HE ARG A 7 -8.199 1.834 8.625 1.00 40.31 H new ATOM 0 HH11 ARG A 7 -6.370 0.225 11.192 1.00 75.22 H new ATOM 0 HH12 ARG A 7 -7.347 0.930 12.484 1.00 75.22 H new ATOM 0 HH21 ARG A 7 -9.423 2.755 10.295 1.00 53.01 H new ATOM 0 HH22 ARG A 7 -9.066 2.354 11.978 1.00 53.01 H new ATOM 112 N ASP A 8 -6.134 2.918 4.251 1.00 0.03 N ATOM 113 CA ASP A 8 -7.271 2.900 3.350 1.00 53.43 C ATOM 114 C ASP A 8 -7.071 1.754 2.375 1.00 10.14 C ATOM 115 O ASP A 8 -6.006 1.132 2.365 1.00 41.23 O ATOM 116 CB ASP A 8 -7.421 4.235 2.610 1.00 30.04 C ATOM 117 CG ASP A 8 -8.858 4.523 2.208 1.00 64.14 C ATOM 118 OD1 ASP A 8 -9.410 3.789 1.362 1.00 13.24 O ATOM 119 OD2 ASP A 8 -9.451 5.481 2.751 1.00 25.04 O ATOM 0 H ASP A 8 -5.273 2.552 3.846 1.00 0.03 H new ATOM 0 HA ASP A 8 -8.191 2.756 3.917 1.00 53.43 H new ATOM 0 HB2 ASP A 8 -7.057 5.042 3.246 1.00 30.04 H new ATOM 0 HB3 ASP A 8 -6.794 4.224 1.719 1.00 30.04 H new ATOM 124 N ALA A 9 -8.065 1.469 1.564 1.00 64.35 N ATOM 125 CA ALA A 9 -8.024 0.295 0.718 1.00 63.00 C ATOM 126 C ALA A 9 -8.583 0.593 -0.663 1.00 40.53 C ATOM 127 O ALA A 9 -9.740 0.990 -0.808 1.00 20.33 O ATOM 128 CB ALA A 9 -8.796 -0.836 1.371 1.00 62.43 C ATOM 0 H ALA A 9 -8.911 2.032 1.472 1.00 64.35 H new ATOM 0 HA ALA A 9 -6.983 -0.006 0.596 1.00 63.00 H new ATOM 0 HB1 ALA A 9 -8.762 -1.717 0.730 1.00 62.43 H new ATOM 0 HB2 ALA A 9 -8.349 -1.072 2.337 1.00 62.43 H new ATOM 0 HB3 ALA A 9 -9.833 -0.533 1.516 1.00 62.43 H new ATOM 134 N VAL A 10 -7.755 0.393 -1.672 1.00 30.43 N ATOM 135 CA VAL A 10 -8.153 0.619 -3.050 1.00 65.34 C ATOM 136 C VAL A 10 -8.239 -0.702 -3.798 1.00 0.30 C ATOM 137 O VAL A 10 -7.519 -1.645 -3.484 1.00 4.34 O ATOM 138 CB VAL A 10 -7.158 1.552 -3.777 1.00 24.14 C ATOM 139 CG1 VAL A 10 -7.218 2.958 -3.209 1.00 1.30 C ATOM 140 CG2 VAL A 10 -5.741 1.010 -3.677 1.00 45.01 C ATOM 0 H VAL A 10 -6.793 0.071 -1.561 1.00 30.43 H new ATOM 0 HA VAL A 10 -9.132 1.097 -3.035 1.00 65.34 H new ATOM 0 HB VAL A 10 -7.445 1.591 -4.828 1.00 24.14 H new ATOM 0 HG11 VAL A 10 -6.508 3.595 -3.738 1.00 1.30 H new ATOM 0 HG12 VAL A 10 -8.225 3.357 -3.331 1.00 1.30 H new ATOM 0 HG13 VAL A 10 -6.964 2.933 -2.149 1.00 1.30 H new ATOM 0 HG21 VAL A 10 -5.057 1.682 -4.195 1.00 45.01 H new ATOM 0 HG22 VAL A 10 -5.453 0.937 -2.628 1.00 45.01 H new ATOM 0 HG23 VAL A 10 -5.696 0.022 -4.135 1.00 45.01 H new ATOM 150 N THR A 11 -9.127 -0.785 -4.766 1.00 43.11 N ATOM 151 CA THR A 11 -9.208 -1.969 -5.596 1.00 53.54 C ATOM 152 C THR A 11 -8.828 -1.646 -7.039 1.00 23.55 C ATOM 153 O THR A 11 -9.592 -1.041 -7.791 1.00 14.53 O ATOM 154 CB THR A 11 -10.599 -2.634 -5.526 1.00 53.45 C ATOM 155 OG1 THR A 11 -10.680 -3.705 -6.470 1.00 55.43 O ATOM 156 CG2 THR A 11 -11.715 -1.634 -5.783 1.00 42.11 C ATOM 0 H THR A 11 -9.799 -0.053 -4.997 1.00 43.11 H new ATOM 0 HA THR A 11 -8.490 -2.689 -5.203 1.00 53.54 H new ATOM 0 HB THR A 11 -10.727 -3.026 -4.517 1.00 53.45 H new ATOM 0 HG1 THR A 11 -11.565 -3.704 -6.891 1.00 55.43 H new ATOM 0 HG21 THR A 11 -12.678 -2.141 -5.725 1.00 42.11 H new ATOM 0 HG22 THR A 11 -11.675 -0.844 -5.033 1.00 42.11 H new ATOM 0 HG23 THR A 11 -11.593 -1.199 -6.775 1.00 42.11 H new ATOM 164 N ILE A 12 -7.624 -2.040 -7.405 1.00 11.35 N ATOM 165 CA ILE A 12 -7.098 -1.781 -8.736 1.00 41.54 C ATOM 166 C ILE A 12 -7.336 -3.010 -9.603 1.00 63.30 C ATOM 167 O ILE A 12 -7.421 -4.125 -9.082 1.00 14.52 O ATOM 168 CB ILE A 12 -5.577 -1.447 -8.756 1.00 73.44 C ATOM 169 CG1 ILE A 12 -5.148 -0.517 -7.611 1.00 40.22 C ATOM 170 CG2 ILE A 12 -5.217 -0.788 -10.072 1.00 41.12 C ATOM 171 CD1 ILE A 12 -5.064 -1.183 -6.255 1.00 44.33 C ATOM 0 H ILE A 12 -6.984 -2.546 -6.794 1.00 11.35 H new ATOM 0 HA ILE A 12 -7.621 -0.903 -9.115 1.00 41.54 H new ATOM 0 HB ILE A 12 -5.050 -2.393 -8.630 1.00 73.44 H new ATOM 0 HG12 ILE A 12 -4.174 -0.091 -7.852 1.00 40.22 H new ATOM 0 HG13 ILE A 12 -5.853 0.312 -7.551 1.00 40.22 H new ATOM 0 HG21 ILE A 12 -4.152 -0.555 -10.083 1.00 41.12 H new ATOM 0 HG22 ILE A 12 -5.449 -1.466 -10.894 1.00 41.12 H new ATOM 0 HG23 ILE A 12 -5.790 0.132 -10.187 1.00 41.12 H new ATOM 0 HD11 ILE A 12 -4.754 -0.451 -5.509 1.00 44.33 H new ATOM 0 HD12 ILE A 12 -6.041 -1.585 -5.986 1.00 44.33 H new ATOM 0 HD13 ILE A 12 -4.336 -1.994 -6.292 1.00 44.33 H new ATOM 183 N GLY A 13 -7.472 -2.804 -10.909 1.00 4.13 N ATOM 184 CA GLY A 13 -7.704 -3.909 -11.830 1.00 74.10 C ATOM 185 C GLY A 13 -6.474 -4.786 -12.050 1.00 55.04 C ATOM 186 O GLY A 13 -6.079 -5.049 -13.188 1.00 23.41 O ATOM 0 H GLY A 13 -7.426 -1.886 -11.351 1.00 4.13 H new ATOM 0 HA2 GLY A 13 -8.517 -4.526 -11.447 1.00 74.10 H new ATOM 0 HA3 GLY A 13 -8.032 -3.509 -12.790 1.00 74.10 H new ATOM 190 N LYS A 14 -5.870 -5.227 -10.957 1.00 13.14 N ATOM 191 CA LYS A 14 -4.780 -6.192 -10.988 1.00 43.15 C ATOM 192 C LYS A 14 -5.129 -7.332 -10.030 1.00 1.30 C ATOM 193 O LYS A 14 -5.754 -7.087 -9.000 1.00 21.52 O ATOM 194 CB LYS A 14 -3.455 -5.548 -10.574 1.00 14.23 C ATOM 195 CG LYS A 14 -3.037 -4.359 -11.429 1.00 11.13 C ATOM 196 CD LYS A 14 -1.584 -3.997 -11.174 1.00 64.13 C ATOM 197 CE LYS A 14 -1.190 -2.684 -11.838 1.00 54.33 C ATOM 198 NZ LYS A 14 0.145 -2.204 -11.371 1.00 0.22 N ATOM 0 H LYS A 14 -6.124 -4.924 -10.017 1.00 13.14 H new ATOM 0 HA LYS A 14 -4.657 -6.566 -12.004 1.00 43.15 H new ATOM 0 HB2 LYS A 14 -3.532 -5.224 -9.536 1.00 14.23 H new ATOM 0 HB3 LYS A 14 -2.670 -6.303 -10.615 1.00 14.23 H new ATOM 0 HG2 LYS A 14 -3.178 -4.596 -12.484 1.00 11.13 H new ATOM 0 HG3 LYS A 14 -3.674 -3.503 -11.207 1.00 11.13 H new ATOM 0 HD2 LYS A 14 -1.413 -3.924 -10.100 1.00 64.13 H new ATOM 0 HD3 LYS A 14 -0.942 -4.796 -11.545 1.00 64.13 H new ATOM 0 HE2 LYS A 14 -1.171 -2.815 -12.920 1.00 54.33 H new ATOM 0 HE3 LYS A 14 -1.944 -1.927 -11.622 1.00 54.33 H new ATOM 0 HZ1 LYS A 14 0.020 -1.378 -10.752 1.00 0.22 H new ATOM 0 HZ2 LYS A 14 0.622 -2.963 -10.843 1.00 0.22 H new ATOM 0 HZ3 LYS A 14 0.725 -1.937 -12.192 1.00 0.22 H new ATOM 212 N PRO A 15 -4.753 -8.586 -10.351 1.00 42.24 N ATOM 213 CA PRO A 15 -5.153 -9.758 -9.551 1.00 74.12 C ATOM 214 C PRO A 15 -4.772 -9.642 -8.074 1.00 52.55 C ATOM 215 O PRO A 15 -5.629 -9.712 -7.200 1.00 11.33 O ATOM 216 CB PRO A 15 -4.380 -10.912 -10.200 1.00 41.22 C ATOM 217 CG PRO A 15 -4.085 -10.454 -11.586 1.00 32.43 C ATOM 218 CD PRO A 15 -3.932 -8.961 -11.515 1.00 25.50 C ATOM 0 HA PRO A 15 -6.236 -9.883 -9.551 1.00 74.12 H new ATOM 0 HB2 PRO A 15 -3.462 -11.128 -9.653 1.00 41.22 H new ATOM 0 HB3 PRO A 15 -4.971 -11.828 -10.205 1.00 41.22 H new ATOM 0 HG2 PRO A 15 -3.175 -10.920 -11.964 1.00 32.43 H new ATOM 0 HG3 PRO A 15 -4.891 -10.730 -12.266 1.00 32.43 H new ATOM 0 HD2 PRO A 15 -2.890 -8.670 -11.382 1.00 25.50 H new ATOM 0 HD3 PRO A 15 -4.284 -8.478 -12.427 1.00 25.50 H new ATOM 226 N ALA A 16 -3.480 -9.462 -7.822 1.00 23.11 N ATOM 227 CA ALA A 16 -2.929 -9.329 -6.471 1.00 34.55 C ATOM 228 C ALA A 16 -1.416 -9.305 -6.570 1.00 32.40 C ATOM 229 O ALA A 16 -0.749 -8.410 -6.055 1.00 51.31 O ATOM 230 CB ALA A 16 -3.369 -10.477 -5.570 1.00 63.30 C ATOM 0 H ALA A 16 -2.775 -9.403 -8.556 1.00 23.11 H new ATOM 0 HA ALA A 16 -3.301 -8.405 -6.029 1.00 34.55 H new ATOM 0 HB1 ALA A 16 -2.941 -10.344 -4.576 1.00 63.30 H new ATOM 0 HB2 ALA A 16 -4.457 -10.487 -5.498 1.00 63.30 H new ATOM 0 HB3 ALA A 16 -3.025 -11.422 -5.990 1.00 63.30 H new ATOM 236 N GLU A 17 -0.905 -10.311 -7.275 1.00 31.22 N ATOM 237 CA GLU A 17 0.510 -10.438 -7.616 1.00 2.34 C ATOM 238 C GLU A 17 1.063 -9.137 -8.198 1.00 63.43 C ATOM 239 O GLU A 17 2.190 -8.734 -7.913 1.00 40.01 O ATOM 240 CB GLU A 17 0.632 -11.581 -8.631 1.00 62.12 C ATOM 241 CG GLU A 17 1.833 -11.507 -9.552 1.00 10.42 C ATOM 242 CD GLU A 17 1.566 -12.216 -10.866 1.00 1.43 C ATOM 243 OE1 GLU A 17 0.786 -11.677 -11.686 1.00 60.41 O ATOM 244 OE2 GLU A 17 2.115 -13.311 -11.086 1.00 51.21 O ATOM 0 H GLU A 17 -1.475 -11.077 -7.633 1.00 31.22 H new ATOM 0 HA GLU A 17 1.094 -10.651 -6.720 1.00 2.34 H new ATOM 0 HB2 GLU A 17 0.670 -12.525 -8.087 1.00 62.12 H new ATOM 0 HB3 GLU A 17 -0.271 -11.601 -9.241 1.00 62.12 H new ATOM 0 HG2 GLU A 17 2.083 -10.463 -9.744 1.00 10.42 H new ATOM 0 HG3 GLU A 17 2.697 -11.957 -9.063 1.00 10.42 H new ATOM 251 N GLN A 18 0.242 -8.473 -8.992 1.00 22.34 N ATOM 252 CA GLN A 18 0.654 -7.265 -9.684 1.00 32.30 C ATOM 253 C GLN A 18 0.468 -6.030 -8.798 1.00 31.24 C ATOM 254 O GLN A 18 0.979 -4.956 -9.110 1.00 12.13 O ATOM 255 CB GLN A 18 -0.152 -7.118 -10.980 1.00 0.44 C ATOM 256 CG GLN A 18 0.025 -8.264 -11.966 1.00 75.22 C ATOM 257 CD GLN A 18 1.433 -8.354 -12.534 1.00 73.14 C ATOM 258 OE1 GLN A 18 1.748 -7.734 -13.547 1.00 72.11 O ATOM 259 NE2 GLN A 18 2.281 -9.148 -11.904 1.00 72.13 N ATOM 0 H GLN A 18 -0.722 -8.753 -9.174 1.00 22.34 H new ATOM 0 HA GLN A 18 1.714 -7.345 -9.923 1.00 32.30 H new ATOM 0 HB2 GLN A 18 -1.209 -7.032 -10.728 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.136 -6.187 -11.469 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -0.220 -9.203 -11.470 1.00 75.22 H new ATOM 0 HG3 GLN A 18 -0.683 -8.142 -12.786 1.00 75.22 H new ATOM 0 HE21 GLN A 18 1.985 -9.647 -11.065 1.00 72.13 H new ATOM 0 HE22 GLN A 18 3.231 -9.261 -12.256 1.00 72.13 H new ATOM 268 N LEU A 19 -0.265 -6.188 -7.698 1.00 72.53 N ATOM 269 CA LEU A 19 -0.556 -5.073 -6.803 1.00 72.15 C ATOM 270 C LEU A 19 0.570 -4.829 -5.808 1.00 5.30 C ATOM 271 O LEU A 19 1.069 -3.717 -5.715 1.00 63.20 O ATOM 272 CB LEU A 19 -1.866 -5.314 -6.060 1.00 73.44 C ATOM 273 CG LEU A 19 -3.114 -5.297 -6.936 1.00 22.12 C ATOM 274 CD1 LEU A 19 -4.339 -5.619 -6.110 1.00 62.43 C ATOM 275 CD2 LEU A 19 -3.273 -3.945 -7.610 1.00 73.45 C ATOM 0 H LEU A 19 -0.668 -7.078 -7.406 1.00 72.53 H new ATOM 0 HA LEU A 19 -0.650 -4.180 -7.421 1.00 72.15 H new ATOM 0 HB2 LEU A 19 -1.808 -6.278 -5.554 1.00 73.44 H new ATOM 0 HB3 LEU A 19 -1.973 -4.554 -5.286 1.00 73.44 H new ATOM 0 HG LEU A 19 -3.004 -6.057 -7.709 1.00 22.12 H new ATOM 0 HD11 LEU A 19 -5.223 -5.603 -6.748 1.00 62.43 H new ATOM 0 HD12 LEU A 19 -4.229 -6.609 -5.667 1.00 62.43 H new ATOM 0 HD13 LEU A 19 -4.450 -4.877 -5.319 1.00 62.43 H new ATOM 0 HD21 LEU A 19 -4.169 -3.951 -8.231 1.00 73.45 H new ATOM 0 HD22 LEU A 19 -3.363 -3.168 -6.851 1.00 73.45 H new ATOM 0 HD23 LEU A 19 -2.401 -3.744 -8.233 1.00 73.45 H new ATOM 287 N TYR A 20 0.986 -5.859 -5.073 1.00 12.35 N ATOM 288 CA TYR A 20 1.996 -5.668 -4.027 1.00 44.14 C ATOM 289 C TYR A 20 3.345 -5.293 -4.630 1.00 22.13 C ATOM 290 O TYR A 20 4.183 -4.672 -3.979 1.00 32.35 O ATOM 291 CB TYR A 20 2.113 -6.894 -3.105 1.00 4.22 C ATOM 292 CG TYR A 20 2.460 -8.202 -3.783 1.00 21.45 C ATOM 293 CD1 TYR A 20 3.768 -8.506 -4.141 1.00 15.53 C ATOM 294 CD2 TYR A 20 1.475 -9.145 -4.039 1.00 1.20 C ATOM 295 CE1 TYR A 20 4.081 -9.710 -4.737 1.00 34.24 C ATOM 296 CE2 TYR A 20 1.781 -10.352 -4.629 1.00 42.21 C ATOM 297 CZ TYR A 20 3.083 -10.630 -4.979 1.00 1.51 C ATOM 298 OH TYR A 20 3.388 -11.835 -5.566 1.00 43.42 O ATOM 0 H TYR A 20 0.649 -6.816 -5.176 1.00 12.35 H new ATOM 0 HA TYR A 20 1.664 -4.837 -3.405 1.00 44.14 H new ATOM 0 HB2 TYR A 20 2.872 -6.686 -2.351 1.00 4.22 H new ATOM 0 HB3 TYR A 20 1.167 -7.020 -2.579 1.00 4.22 H new ATOM 0 HD1 TYR A 20 4.552 -7.788 -3.950 1.00 15.53 H new ATOM 0 HD2 TYR A 20 0.451 -8.929 -3.771 1.00 1.20 H new ATOM 0 HE1 TYR A 20 5.102 -9.931 -5.012 1.00 34.24 H new ATOM 0 HE2 TYR A 20 1.003 -11.077 -4.816 1.00 42.21 H new ATOM 0 HH TYR A 20 2.571 -12.367 -5.664 1.00 43.42 H new ATOM 308 N ALA A 21 3.534 -5.657 -5.889 1.00 71.34 N ATOM 309 CA ALA A 21 4.753 -5.332 -6.617 1.00 60.03 C ATOM 310 C ALA A 21 4.789 -3.859 -7.029 1.00 4.13 C ATOM 311 O ALA A 21 5.771 -3.401 -7.609 1.00 40.33 O ATOM 312 CB ALA A 21 4.876 -6.221 -7.839 1.00 42.12 C ATOM 0 H ALA A 21 2.851 -6.184 -6.434 1.00 71.34 H new ATOM 0 HA ALA A 21 5.599 -5.509 -5.952 1.00 60.03 H new ATOM 0 HB1 ALA A 21 5.790 -5.973 -8.379 1.00 42.12 H new ATOM 0 HB2 ALA A 21 4.911 -7.265 -7.527 1.00 42.12 H new ATOM 0 HB3 ALA A 21 4.016 -6.065 -8.490 1.00 42.12 H new ATOM 318 N VAL A 22 3.712 -3.133 -6.729 1.00 42.43 N ATOM 319 CA VAL A 22 3.544 -1.731 -7.143 1.00 12.24 C ATOM 320 C VAL A 22 4.732 -0.839 -6.752 1.00 54.22 C ATOM 321 O VAL A 22 4.949 0.209 -7.361 1.00 55.44 O ATOM 322 CB VAL A 22 2.241 -1.122 -6.571 1.00 71.41 C ATOM 323 CG1 VAL A 22 2.286 -1.036 -5.050 1.00 13.42 C ATOM 324 CG2 VAL A 22 1.969 0.245 -7.180 1.00 71.11 C ATOM 0 H VAL A 22 2.926 -3.498 -6.190 1.00 42.43 H new ATOM 0 HA VAL A 22 3.489 -1.757 -8.231 1.00 12.24 H new ATOM 0 HB VAL A 22 1.421 -1.787 -6.841 1.00 71.41 H new ATOM 0 HG11 VAL A 22 1.355 -0.604 -4.682 1.00 13.42 H new ATOM 0 HG12 VAL A 22 2.412 -2.035 -4.633 1.00 13.42 H new ATOM 0 HG13 VAL A 22 3.123 -0.408 -4.746 1.00 13.42 H new ATOM 0 HG21 VAL A 22 1.048 0.653 -6.763 1.00 71.11 H new ATOM 0 HG22 VAL A 22 2.798 0.916 -6.954 1.00 71.11 H new ATOM 0 HG23 VAL A 22 1.865 0.148 -8.261 1.00 71.11 H new ATOM 334 N TRP A 23 5.507 -1.250 -5.752 1.00 44.43 N ATOM 335 CA TRP A 23 6.686 -0.486 -5.340 1.00 41.04 C ATOM 336 C TRP A 23 7.633 -0.289 -6.525 1.00 12.54 C ATOM 337 O TRP A 23 8.312 0.736 -6.636 1.00 50.14 O ATOM 338 CB TRP A 23 7.410 -1.192 -4.190 1.00 42.23 C ATOM 339 CG TRP A 23 8.475 -0.352 -3.556 1.00 12.01 C ATOM 340 CD1 TRP A 23 8.281 0.736 -2.757 1.00 43.32 C ATOM 341 CD2 TRP A 23 9.891 -0.528 -3.659 1.00 2.23 C ATOM 342 NE1 TRP A 23 9.490 1.256 -2.364 1.00 73.13 N ATOM 343 CE2 TRP A 23 10.495 0.496 -2.904 1.00 11.44 C ATOM 344 CE3 TRP A 23 10.708 -1.451 -4.317 1.00 70.23 C ATOM 345 CZ2 TRP A 23 11.878 0.623 -2.791 1.00 11.04 C ATOM 346 CZ3 TRP A 23 12.080 -1.324 -4.204 1.00 33.25 C ATOM 347 CH2 TRP A 23 12.652 -0.295 -3.446 1.00 63.45 C ATOM 0 H TRP A 23 5.344 -2.101 -5.214 1.00 44.43 H new ATOM 0 HA TRP A 23 6.358 0.493 -4.990 1.00 41.04 H new ATOM 0 HB2 TRP A 23 6.681 -1.476 -3.431 1.00 42.23 H new ATOM 0 HB3 TRP A 23 7.858 -2.113 -4.563 1.00 42.23 H new ATOM 0 HD1 TRP A 23 7.317 1.131 -2.474 1.00 43.32 H new ATOM 0 HE1 TRP A 23 9.619 2.074 -1.768 1.00 73.13 H new ATOM 0 HE3 TRP A 23 10.276 -2.249 -4.903 1.00 70.23 H new ATOM 0 HZ2 TRP A 23 12.322 1.416 -2.208 1.00 11.04 H new ATOM 0 HZ3 TRP A 23 12.722 -2.031 -4.709 1.00 33.25 H new ATOM 0 HH2 TRP A 23 13.727 -0.225 -3.377 1.00 63.45 H new ATOM 358 N ARG A 24 7.656 -1.273 -7.418 1.00 25.14 N ATOM 359 CA ARG A 24 8.427 -1.188 -8.651 1.00 33.52 C ATOM 360 C ARG A 24 7.469 -1.231 -9.845 1.00 23.11 C ATOM 361 O ARG A 24 7.888 -1.216 -11.002 1.00 64.33 O ATOM 362 CB ARG A 24 9.433 -2.347 -8.720 1.00 52.24 C ATOM 363 CG ARG A 24 10.405 -2.251 -9.885 1.00 52.42 C ATOM 364 CD ARG A 24 11.361 -3.429 -9.931 1.00 12.32 C ATOM 365 NE ARG A 24 12.263 -3.339 -11.077 1.00 75.25 N ATOM 366 CZ ARG A 24 13.417 -3.999 -11.185 1.00 42.21 C ATOM 367 NH1 ARG A 24 13.799 -4.857 -10.244 1.00 25.33 N ATOM 368 NH2 ARG A 24 14.181 -3.822 -12.254 1.00 21.12 N ATOM 0 H ARG A 24 7.143 -2.148 -7.307 1.00 25.14 H new ATOM 0 HA ARG A 24 8.984 -0.251 -8.675 1.00 33.52 H new ATOM 0 HB2 ARG A 24 9.999 -2.380 -7.789 1.00 52.24 H new ATOM 0 HB3 ARG A 24 8.885 -3.287 -8.793 1.00 52.24 H new ATOM 0 HG2 ARG A 24 9.846 -2.202 -10.819 1.00 52.42 H new ATOM 0 HG3 ARG A 24 10.975 -1.325 -9.805 1.00 52.42 H new ATOM 0 HD2 ARG A 24 11.943 -3.464 -9.010 1.00 12.32 H new ATOM 0 HD3 ARG A 24 10.794 -4.358 -9.985 1.00 12.32 H new ATOM 0 HE ARG A 24 11.991 -2.729 -11.848 1.00 75.25 H new ATOM 0 HH11 ARG A 24 13.207 -5.016 -9.429 1.00 25.33 H new ATOM 0 HH12 ARG A 24 14.684 -5.356 -10.338 1.00 25.33 H new ATOM 0 HH21 ARG A 24 13.886 -3.182 -12.992 1.00 21.12 H new ATOM 0 HH22 ARG A 24 15.064 -4.326 -12.339 1.00 21.12 H new ATOM 382 N ASP A 25 6.178 -1.205 -9.514 1.00 32.40 N ATOM 383 CA ASP A 25 5.082 -1.468 -10.446 1.00 64.15 C ATOM 384 C ASP A 25 5.321 -2.740 -11.250 1.00 73.53 C ATOM 385 O ASP A 25 6.002 -2.731 -12.280 1.00 53.13 O ATOM 386 CB ASP A 25 4.815 -0.280 -11.364 1.00 52.33 C ATOM 387 CG ASP A 25 3.696 -0.567 -12.356 1.00 14.13 C ATOM 388 OD1 ASP A 25 2.559 -0.876 -11.914 1.00 73.00 O ATOM 389 OD2 ASP A 25 3.952 -0.502 -13.578 1.00 60.12 O ATOM 0 H ASP A 25 5.858 -0.996 -8.568 1.00 32.40 H new ATOM 0 HA ASP A 25 4.187 -1.620 -9.843 1.00 64.15 H new ATOM 0 HB2 ASP A 25 4.553 0.591 -10.763 1.00 52.33 H new ATOM 0 HB3 ASP A 25 5.726 -0.030 -11.907 1.00 52.33 H new ATOM 394 N LEU A 26 4.737 -3.831 -10.753 1.00 3.22 N ATOM 395 CA LEU A 26 4.849 -5.156 -11.364 1.00 63.34 C ATOM 396 C LEU A 26 6.287 -5.694 -11.268 1.00 34.31 C ATOM 397 O LEU A 26 7.248 -4.934 -11.159 1.00 42.55 O ATOM 398 CB LEU A 26 4.389 -5.114 -12.831 1.00 53.12 C ATOM 399 CG LEU A 26 3.103 -4.325 -13.097 1.00 41.54 C ATOM 400 CD1 LEU A 26 2.714 -4.419 -14.560 1.00 23.34 C ATOM 401 CD2 LEU A 26 1.973 -4.814 -12.216 1.00 21.23 C ATOM 0 H LEU A 26 4.167 -3.820 -9.907 1.00 3.22 H new ATOM 0 HA LEU A 26 4.198 -5.835 -10.812 1.00 63.34 H new ATOM 0 HB2 LEU A 26 5.190 -4.683 -13.432 1.00 53.12 H new ATOM 0 HB3 LEU A 26 4.245 -6.137 -13.178 1.00 53.12 H new ATOM 0 HG LEU A 26 3.293 -3.279 -12.854 1.00 41.54 H new ATOM 0 HD11 LEU A 26 1.798 -3.853 -14.730 1.00 23.34 H new ATOM 0 HD12 LEU A 26 3.514 -4.009 -15.176 1.00 23.34 H new ATOM 0 HD13 LEU A 26 2.550 -5.463 -14.826 1.00 23.34 H new ATOM 0 HD21 LEU A 26 1.072 -4.237 -12.425 1.00 21.23 H new ATOM 0 HD22 LEU A 26 1.784 -5.868 -12.419 1.00 21.23 H new ATOM 0 HD23 LEU A 26 2.248 -4.690 -11.169 1.00 21.23 H new ATOM 413 N PRO A 27 6.447 -7.026 -11.273 1.00 14.13 N ATOM 414 CA PRO A 27 7.759 -7.663 -11.197 1.00 11.14 C ATOM 415 C PRO A 27 8.512 -7.608 -12.525 1.00 72.32 C ATOM 416 O PRO A 27 8.143 -8.288 -13.490 1.00 1.40 O ATOM 417 CB PRO A 27 7.448 -9.121 -10.823 1.00 3.23 C ATOM 418 CG PRO A 27 5.972 -9.184 -10.589 1.00 44.24 C ATOM 419 CD PRO A 27 5.376 -8.020 -11.325 1.00 62.51 C ATOM 0 HA PRO A 27 8.404 -7.158 -10.478 1.00 11.14 H new ATOM 0 HB2 PRO A 27 7.745 -9.800 -11.622 1.00 3.23 H new ATOM 0 HB3 PRO A 27 7.997 -9.420 -9.930 1.00 3.23 H new ATOM 0 HG2 PRO A 27 5.561 -10.125 -10.953 1.00 44.24 H new ATOM 0 HG3 PRO A 27 5.745 -9.128 -9.524 1.00 44.24 H new ATOM 0 HD2 PRO A 27 5.114 -8.280 -12.351 1.00 62.51 H new ATOM 0 HD3 PRO A 27 4.466 -7.660 -10.845 1.00 62.51 H new ATOM 998 N ALA A 64 16.853 -9.598 2.323 1.00 72.42 N ATOM 999 CA ALA A 64 15.613 -9.036 2.841 1.00 31.13 C ATOM 1000 C ALA A 64 14.663 -10.159 3.214 1.00 40.15 C ATOM 1001 O ALA A 64 14.354 -11.016 2.384 1.00 51.11 O ATOM 1002 CB ALA A 64 14.970 -8.121 1.811 1.00 30.44 C ATOM 0 HA ALA A 64 15.836 -8.445 3.729 1.00 31.13 H new ATOM 0 HB1 ALA A 64 14.045 -7.711 2.216 1.00 30.44 H new ATOM 0 HB2 ALA A 64 15.654 -7.307 1.571 1.00 30.44 H new ATOM 0 HB3 ALA A 64 14.750 -8.689 0.907 1.00 30.44 H new ATOM 1008 N GLU A 65 14.201 -10.159 4.455 1.00 74.30 N ATOM 1009 CA GLU A 65 13.306 -11.202 4.915 1.00 33.12 C ATOM 1010 C GLU A 65 11.888 -10.659 5.037 1.00 62.11 C ATOM 1011 O GLU A 65 11.674 -9.572 5.566 1.00 24.13 O ATOM 1012 CB GLU A 65 13.769 -11.720 6.278 1.00 53.31 C ATOM 1013 CG GLU A 65 13.720 -13.229 6.408 1.00 73.52 C ATOM 1014 CD GLU A 65 13.806 -13.696 7.845 1.00 72.44 C ATOM 1015 OE1 GLU A 65 14.922 -13.728 8.402 1.00 72.20 O ATOM 1016 OE2 GLU A 65 12.755 -14.028 8.433 1.00 44.50 O ATOM 0 H GLU A 65 14.430 -9.453 5.155 1.00 74.30 H new ATOM 0 HA GLU A 65 13.318 -12.018 4.192 1.00 33.12 H new ATOM 0 HB2 GLU A 65 14.790 -11.382 6.457 1.00 53.31 H new ATOM 0 HB3 GLU A 65 13.146 -11.277 7.055 1.00 53.31 H new ATOM 0 HG2 GLU A 65 12.794 -13.598 5.966 1.00 73.52 H new ATOM 0 HG3 GLU A 65 14.541 -13.665 5.839 1.00 73.52 H new ATOM 1023 N LEU A 66 10.926 -11.419 4.549 1.00 44.11 N ATOM 1024 CA LEU A 66 9.524 -11.055 4.675 1.00 33.53 C ATOM 1025 C LEU A 66 8.932 -11.793 5.855 1.00 55.13 C ATOM 1026 O LEU A 66 9.416 -12.865 6.223 1.00 11.22 O ATOM 1027 CB LEU A 66 8.743 -11.395 3.395 1.00 42.32 C ATOM 1028 CG LEU A 66 9.085 -10.559 2.150 1.00 42.41 C ATOM 1029 CD1 LEU A 66 9.094 -9.078 2.482 1.00 1.14 C ATOM 1030 CD2 LEU A 66 10.414 -10.986 1.542 1.00 23.24 C ATOM 0 H LEU A 66 11.090 -12.298 4.058 1.00 44.11 H new ATOM 0 HA LEU A 66 9.451 -9.979 4.831 1.00 33.53 H new ATOM 0 HB2 LEU A 66 8.912 -12.446 3.159 1.00 42.32 H new ATOM 0 HB3 LEU A 66 7.679 -11.282 3.602 1.00 42.32 H new ATOM 0 HG LEU A 66 8.309 -10.739 1.406 1.00 42.41 H new ATOM 0 HD11 LEU A 66 9.338 -8.506 1.587 1.00 1.14 H new ATOM 0 HD12 LEU A 66 8.110 -8.781 2.846 1.00 1.14 H new ATOM 0 HD13 LEU A 66 9.840 -8.882 3.252 1.00 1.14 H new ATOM 0 HD21 LEU A 66 10.625 -10.375 0.664 1.00 23.24 H new ATOM 0 HD22 LEU A 66 11.209 -10.854 2.276 1.00 23.24 H new ATOM 0 HD23 LEU A 66 10.360 -12.035 1.250 1.00 23.24 H new ATOM 1042 N THR A 67 7.917 -11.225 6.478 1.00 74.32 N ATOM 1043 CA THR A 67 7.249 -11.923 7.559 1.00 10.43 C ATOM 1044 C THR A 67 6.370 -13.012 6.975 1.00 3.34 C ATOM 1045 O THR A 67 6.278 -14.118 7.517 1.00 33.45 O ATOM 1046 CB THR A 67 6.408 -10.973 8.427 1.00 14.21 C ATOM 1047 OG1 THR A 67 5.542 -10.193 7.605 1.00 5.15 O ATOM 1048 CG2 THR A 67 7.306 -10.053 9.225 1.00 4.43 C ATOM 0 H THR A 67 7.543 -10.301 6.260 1.00 74.32 H new ATOM 0 HA THR A 67 8.010 -12.359 8.206 1.00 10.43 H new ATOM 0 HB THR A 67 5.811 -11.574 9.113 1.00 14.21 H new ATOM 0 HG1 THR A 67 5.010 -9.593 8.168 1.00 5.15 H new ATOM 0 HG21 THR A 67 6.695 -9.387 9.834 1.00 4.43 H new ATOM 0 HG22 THR A 67 7.952 -10.646 9.872 1.00 4.43 H new ATOM 0 HG23 THR A 67 7.919 -9.462 8.544 1.00 4.43 H new ATOM 1056 N ALA A 68 5.775 -12.689 5.834 1.00 40.20 N ATOM 1057 CA ALA A 68 4.941 -13.630 5.093 1.00 72.41 C ATOM 1058 C ALA A 68 4.520 -13.059 3.748 1.00 72.24 C ATOM 1059 O ALA A 68 3.990 -11.947 3.666 1.00 51.04 O ATOM 1060 CB ALA A 68 3.706 -14.018 5.890 1.00 41.33 C ATOM 0 H ALA A 68 5.856 -11.771 5.396 1.00 40.20 H new ATOM 0 HA ALA A 68 5.544 -14.521 4.921 1.00 72.41 H new ATOM 0 HB1 ALA A 68 3.105 -14.720 5.311 1.00 41.33 H new ATOM 0 HB2 ALA A 68 4.010 -14.486 6.826 1.00 41.33 H new ATOM 0 HB3 ALA A 68 3.117 -13.127 6.105 1.00 41.33 H new ATOM 1066 N ASP A 69 4.761 -13.829 2.702 1.00 2.13 N ATOM 1067 CA ASP A 69 4.306 -13.481 1.361 1.00 32.22 C ATOM 1068 C ASP A 69 3.468 -14.627 0.802 1.00 11.13 C ATOM 1069 O ASP A 69 3.998 -15.600 0.260 1.00 74.24 O ATOM 1070 CB ASP A 69 5.497 -13.187 0.438 1.00 62.12 C ATOM 1071 CG ASP A 69 5.068 -12.735 -0.948 1.00 1.30 C ATOM 1072 OD1 ASP A 69 4.731 -11.546 -1.110 1.00 3.52 O ATOM 1073 OD2 ASP A 69 5.082 -13.564 -1.885 1.00 13.11 O ATOM 0 H ASP A 69 5.274 -14.709 2.754 1.00 2.13 H new ATOM 0 HA ASP A 69 3.697 -12.579 1.415 1.00 32.22 H new ATOM 0 HB2 ASP A 69 6.120 -12.416 0.890 1.00 62.12 H new ATOM 0 HB3 ASP A 69 6.112 -14.082 0.349 1.00 62.12 H new ATOM 1078 N GLU A 70 2.155 -14.531 0.974 1.00 33.13 N ATOM 1079 CA GLU A 70 1.261 -15.612 0.582 1.00 63.32 C ATOM 1080 C GLU A 70 0.526 -15.281 -0.713 1.00 24.11 C ATOM 1081 O GLU A 70 0.107 -14.141 -0.919 1.00 21.22 O ATOM 1082 CB GLU A 70 0.272 -15.900 1.709 1.00 52.24 C ATOM 1083 CG GLU A 70 0.942 -16.469 2.947 1.00 54.14 C ATOM 1084 CD GLU A 70 -0.034 -16.778 4.056 1.00 50.02 C ATOM 1085 OE1 GLU A 70 -0.352 -15.870 4.838 1.00 63.44 O ATOM 1086 OE2 GLU A 70 -0.475 -17.942 4.164 1.00 0.33 O ATOM 0 H GLU A 70 1.688 -13.720 1.380 1.00 33.13 H new ATOM 0 HA GLU A 70 1.859 -16.505 0.399 1.00 63.32 H new ATOM 0 HB2 GLU A 70 -0.249 -14.980 1.974 1.00 52.24 H new ATOM 0 HB3 GLU A 70 -0.482 -16.602 1.354 1.00 52.24 H new ATOM 0 HG2 GLU A 70 1.478 -17.379 2.678 1.00 54.14 H new ATOM 0 HG3 GLU A 70 1.684 -15.758 3.311 1.00 54.14 H new ATOM 1093 N PRO A 71 0.326 -16.298 -1.575 1.00 74.33 N ATOM 1094 CA PRO A 71 -0.215 -16.115 -2.930 1.00 40.30 C ATOM 1095 C PRO A 71 -1.598 -15.476 -2.956 1.00 1.42 C ATOM 1096 O PRO A 71 -2.614 -16.149 -2.744 1.00 11.54 O ATOM 1097 CB PRO A 71 -0.279 -17.539 -3.494 1.00 3.21 C ATOM 1098 CG PRO A 71 0.674 -18.327 -2.664 1.00 63.41 C ATOM 1099 CD PRO A 71 0.626 -17.712 -1.296 1.00 62.32 C ATOM 0 HA PRO A 71 0.410 -15.433 -3.507 1.00 40.30 H new ATOM 0 HB2 PRO A 71 -1.289 -17.945 -3.428 1.00 3.21 H new ATOM 0 HB3 PRO A 71 0.004 -17.560 -4.546 1.00 3.21 H new ATOM 0 HG2 PRO A 71 0.388 -19.378 -2.631 1.00 63.41 H new ATOM 0 HG3 PRO A 71 1.682 -18.284 -3.077 1.00 63.41 H new ATOM 0 HD2 PRO A 71 -0.142 -18.172 -0.674 1.00 62.32 H new ATOM 0 HD3 PRO A 71 1.573 -17.827 -0.769 1.00 62.32 H new ATOM 1107 N GLY A 72 -1.618 -14.172 -3.212 1.00 1.53 N ATOM 1108 CA GLY A 72 -2.864 -13.437 -3.331 1.00 22.22 C ATOM 1109 C GLY A 72 -3.712 -13.499 -2.077 1.00 43.21 C ATOM 1110 O GLY A 72 -4.931 -13.652 -2.154 1.00 71.31 O ATOM 0 H GLY A 72 -0.780 -13.604 -3.341 1.00 1.53 H new ATOM 0 HA2 GLY A 72 -2.644 -12.395 -3.562 1.00 22.22 H new ATOM 0 HA3 GLY A 72 -3.436 -13.836 -4.169 1.00 22.22 H new ATOM 1114 N LYS A 73 -3.073 -13.397 -0.920 1.00 15.34 N ATOM 1115 CA LYS A 73 -3.798 -13.414 0.344 1.00 12.55 C ATOM 1116 C LYS A 73 -3.394 -12.225 1.201 1.00 3.04 C ATOM 1117 O LYS A 73 -4.097 -11.216 1.258 1.00 62.13 O ATOM 1118 CB LYS A 73 -3.549 -14.721 1.098 1.00 41.24 C ATOM 1119 CG LYS A 73 -3.943 -15.950 0.305 1.00 43.24 C ATOM 1120 CD LYS A 73 -3.867 -17.211 1.140 1.00 5.31 C ATOM 1121 CE LYS A 73 -4.281 -18.420 0.323 1.00 32.05 C ATOM 1122 NZ LYS A 73 -5.651 -18.277 -0.243 1.00 43.34 N ATOM 0 H LYS A 73 -2.061 -13.302 -0.829 1.00 15.34 H new ATOM 0 HA LYS A 73 -4.864 -13.344 0.126 1.00 12.55 H new ATOM 0 HB2 LYS A 73 -2.493 -14.787 1.358 1.00 41.24 H new ATOM 0 HB3 LYS A 73 -4.108 -14.705 2.034 1.00 41.24 H new ATOM 0 HG2 LYS A 73 -4.957 -15.827 -0.075 1.00 43.24 H new ATOM 0 HG3 LYS A 73 -3.288 -16.048 -0.561 1.00 43.24 H new ATOM 0 HD2 LYS A 73 -2.851 -17.347 1.511 1.00 5.31 H new ATOM 0 HD3 LYS A 73 -4.515 -17.116 2.012 1.00 5.31 H new ATOM 0 HE2 LYS A 73 -3.569 -18.569 -0.489 1.00 32.05 H new ATOM 0 HE3 LYS A 73 -4.240 -19.311 0.950 1.00 32.05 H new ATOM 0 HZ1 LYS A 73 -5.990 -19.204 -0.570 1.00 43.34 H new ATOM 0 HZ2 LYS A 73 -6.293 -17.913 0.490 1.00 43.34 H new ATOM 0 HZ3 LYS A 73 -5.628 -17.614 -1.044 1.00 43.34 H new ATOM 1136 N ARG A 74 -2.253 -12.344 1.856 1.00 65.23 N ATOM 1137 CA ARG A 74 -1.719 -11.258 2.656 1.00 70.30 C ATOM 1138 C ARG A 74 -0.228 -11.127 2.404 1.00 33.32 C ATOM 1139 O ARG A 74 0.501 -12.120 2.384 1.00 40.41 O ATOM 1140 CB ARG A 74 -2.009 -11.477 4.147 1.00 64.30 C ATOM 1141 CG ARG A 74 -1.403 -12.752 4.706 1.00 44.33 C ATOM 1142 CD ARG A 74 -1.855 -13.017 6.134 1.00 32.44 C ATOM 1143 NE ARG A 74 -1.447 -14.344 6.589 1.00 1.22 N ATOM 1144 CZ ARG A 74 -1.686 -14.831 7.803 1.00 30.52 C ATOM 1145 NH1 ARG A 74 -2.312 -14.093 8.714 1.00 22.13 N ATOM 1146 NH2 ARG A 74 -1.296 -16.062 8.108 1.00 42.44 N ATOM 0 H ARG A 74 -1.677 -13.186 1.849 1.00 65.23 H new ATOM 0 HA ARG A 74 -2.209 -10.330 2.363 1.00 70.30 H new ATOM 0 HB2 ARG A 74 -1.627 -10.626 4.711 1.00 64.30 H new ATOM 0 HB3 ARG A 74 -3.088 -11.501 4.298 1.00 64.30 H new ATOM 0 HG2 ARG A 74 -1.684 -13.595 4.074 1.00 44.33 H new ATOM 0 HG3 ARG A 74 -0.316 -12.680 4.677 1.00 44.33 H new ATOM 0 HD2 ARG A 74 -1.435 -12.260 6.796 1.00 32.44 H new ATOM 0 HD3 ARG A 74 -2.940 -12.928 6.196 1.00 32.44 H new ATOM 0 HE ARG A 74 -0.944 -14.938 5.930 1.00 1.22 H new ATOM 0 HH11 ARG A 74 -2.613 -13.146 8.484 1.00 22.13 H new ATOM 0 HH12 ARG A 74 -2.492 -14.474 9.643 1.00 22.13 H new ATOM 0 HH21 ARG A 74 -0.814 -16.632 7.412 1.00 42.44 H new ATOM 0 HH22 ARG A 74 -1.478 -16.439 9.038 1.00 42.44 H new ATOM 1160 N ILE A 75 0.210 -9.906 2.177 1.00 11.31 N ATOM 1161 CA ILE A 75 1.604 -9.638 1.877 1.00 51.01 C ATOM 1162 C ILE A 75 2.172 -8.698 2.924 1.00 31.22 C ATOM 1163 O ILE A 75 1.803 -7.526 2.981 1.00 73.31 O ATOM 1164 CB ILE A 75 1.774 -8.996 0.483 1.00 75.15 C ATOM 1165 CG1 ILE A 75 1.004 -9.786 -0.584 1.00 74.52 C ATOM 1166 CG2 ILE A 75 3.250 -8.903 0.119 1.00 22.20 C ATOM 1167 CD1 ILE A 75 1.439 -11.227 -0.731 1.00 42.41 C ATOM 0 H ILE A 75 -0.383 -9.077 2.195 1.00 11.31 H new ATOM 0 HA ILE A 75 2.137 -10.589 1.884 1.00 51.01 H new ATOM 0 HB ILE A 75 1.360 -7.988 0.519 1.00 75.15 H new ATOM 0 HG12 ILE A 75 -0.058 -9.763 -0.339 1.00 74.52 H new ATOM 0 HG13 ILE A 75 1.121 -9.284 -1.545 1.00 74.52 H new ATOM 0 HG21 ILE A 75 3.354 -8.448 -0.866 1.00 22.20 H new ATOM 0 HG22 ILE A 75 3.769 -8.292 0.857 1.00 22.20 H new ATOM 0 HG23 ILE A 75 3.685 -9.902 0.105 1.00 22.20 H new ATOM 0 HD11 ILE A 75 0.843 -11.710 -1.506 1.00 42.41 H new ATOM 0 HD12 ILE A 75 2.492 -11.263 -1.009 1.00 42.41 H new ATOM 0 HD13 ILE A 75 1.295 -11.749 0.215 1.00 42.41 H new ATOM 1179 N ALA A 76 3.055 -9.208 3.758 1.00 54.50 N ATOM 1180 CA ALA A 76 3.632 -8.401 4.812 1.00 62.23 C ATOM 1181 C ALA A 76 5.141 -8.312 4.648 1.00 71.41 C ATOM 1182 O ALA A 76 5.854 -9.317 4.717 1.00 22.02 O ATOM 1183 CB ALA A 76 3.252 -8.961 6.168 1.00 44.05 C ATOM 0 H ALA A 76 3.387 -10.172 3.727 1.00 54.50 H new ATOM 0 HA ALA A 76 3.232 -7.389 4.744 1.00 62.23 H new ATOM 0 HB1 ALA A 76 3.692 -8.345 6.952 1.00 44.05 H new ATOM 0 HB2 ALA A 76 2.167 -8.959 6.271 1.00 44.05 H new ATOM 0 HB3 ALA A 76 3.623 -9.982 6.257 1.00 44.05 H new ATOM 1189 N TRP A 77 5.616 -7.099 4.428 1.00 63.24 N ATOM 1190 CA TRP A 77 7.020 -6.870 4.143 1.00 55.43 C ATOM 1191 C TRP A 77 7.804 -6.636 5.419 1.00 5.34 C ATOM 1192 O TRP A 77 7.235 -6.272 6.450 1.00 40.31 O ATOM 1193 CB TRP A 77 7.184 -5.668 3.221 1.00 24.50 C ATOM 1194 CG TRP A 77 6.757 -5.921 1.806 1.00 4.13 C ATOM 1195 CD1 TRP A 77 5.481 -6.077 1.346 1.00 20.21 C ATOM 1196 CD2 TRP A 77 7.614 -6.041 0.664 1.00 53.43 C ATOM 1197 NE1 TRP A 77 5.494 -6.296 -0.011 1.00 33.13 N ATOM 1198 CE2 TRP A 77 6.792 -6.275 -0.454 1.00 72.21 C ATOM 1199 CE3 TRP A 77 8.998 -5.972 0.481 1.00 0.32 C ATOM 1200 CZ2 TRP A 77 7.310 -6.442 -1.737 1.00 14.13 C ATOM 1201 CZ3 TRP A 77 9.511 -6.137 -0.790 1.00 30.20 C ATOM 1202 CH2 TRP A 77 8.669 -6.369 -1.886 1.00 64.13 C ATOM 0 H TRP A 77 5.046 -6.253 4.442 1.00 63.24 H new ATOM 0 HA TRP A 77 7.409 -7.762 3.651 1.00 55.43 H new ATOM 0 HB2 TRP A 77 6.606 -4.835 3.621 1.00 24.50 H new ATOM 0 HB3 TRP A 77 8.230 -5.361 3.225 1.00 24.50 H new ATOM 0 HD1 TRP A 77 4.592 -6.035 1.958 1.00 20.21 H new ATOM 0 HE1 TRP A 77 4.671 -6.449 -0.594 1.00 33.13 H new ATOM 0 HE3 TRP A 77 9.655 -5.793 1.319 1.00 0.32 H new ATOM 0 HZ2 TRP A 77 6.663 -6.622 -2.583 1.00 14.13 H new ATOM 0 HZ3 TRP A 77 10.579 -6.086 -0.942 1.00 30.20 H new ATOM 0 HH2 TRP A 77 9.101 -6.493 -2.868 1.00 64.13 H new ATOM 1213 N ARG A 78 9.112 -6.834 5.335 1.00 74.53 N ATOM 1214 CA ARG A 78 9.992 -6.675 6.477 1.00 11.34 C ATOM 1215 C ARG A 78 11.441 -6.599 6.003 1.00 15.31 C ATOM 1216 O ARG A 78 11.724 -6.722 4.809 1.00 74.25 O ATOM 1217 CB ARG A 78 9.819 -7.840 7.456 1.00 22.14 C ATOM 1218 CG ARG A 78 9.733 -7.407 8.912 1.00 73.12 C ATOM 1219 CD ARG A 78 8.566 -6.457 9.129 1.00 64.33 C ATOM 1220 NE ARG A 78 8.170 -6.361 10.531 1.00 23.51 N ATOM 1221 CZ ARG A 78 6.911 -6.182 10.927 1.00 44.12 C ATOM 1222 NH1 ARG A 78 5.944 -6.047 10.024 1.00 14.12 N ATOM 1223 NH2 ARG A 78 6.617 -6.135 12.222 1.00 52.43 N ATOM 0 H ARG A 78 9.588 -7.108 4.476 1.00 74.53 H new ATOM 0 HA ARG A 78 9.733 -5.751 6.994 1.00 11.34 H new ATOM 0 HB2 ARG A 78 8.915 -8.391 7.196 1.00 22.14 H new ATOM 0 HB3 ARG A 78 10.656 -8.528 7.340 1.00 22.14 H new ATOM 0 HG2 ARG A 78 9.617 -8.283 9.550 1.00 73.12 H new ATOM 0 HG3 ARG A 78 10.663 -6.920 9.206 1.00 73.12 H new ATOM 0 HD2 ARG A 78 8.837 -5.466 8.764 1.00 64.33 H new ATOM 0 HD3 ARG A 78 7.714 -6.793 8.537 1.00 64.33 H new ATOM 0 HE ARG A 78 8.895 -6.435 11.244 1.00 23.51 H new ATOM 0 HH11 ARG A 78 6.167 -6.081 9.029 1.00 14.12 H new ATOM 0 HH12 ARG A 78 4.980 -5.910 10.326 1.00 14.12 H new ATOM 0 HH21 ARG A 78 7.357 -6.236 12.917 1.00 52.43 H new ATOM 0 HH22 ARG A 78 5.652 -5.998 12.521 1.00 52.43 H new ATOM 1237 N SER A 79 12.338 -6.367 6.936 1.00 24.22 N ATOM 1238 CA SER A 79 13.754 -6.359 6.670 1.00 13.44 C ATOM 1239 C SER A 79 14.431 -7.083 7.820 1.00 64.14 C ATOM 1240 O SER A 79 13.770 -7.434 8.801 1.00 65.14 O ATOM 1241 CB SER A 79 14.265 -4.919 6.540 1.00 11.33 C ATOM 1242 OG SER A 79 15.572 -4.876 5.992 1.00 22.20 O ATOM 0 H SER A 79 12.099 -6.177 7.909 1.00 24.22 H new ATOM 0 HA SER A 79 13.978 -6.860 5.728 1.00 13.44 H new ATOM 0 HB2 SER A 79 13.586 -4.347 5.908 1.00 11.33 H new ATOM 0 HB3 SER A 79 14.265 -4.443 7.520 1.00 11.33 H new ATOM 0 HG SER A 79 15.867 -3.944 5.921 1.00 22.20 H new ATOM 1248 N LEU A 80 15.720 -7.314 7.712 1.00 35.11 N ATOM 1249 CA LEU A 80 16.437 -8.048 8.737 1.00 43.34 C ATOM 1250 C LEU A 80 16.744 -7.148 9.929 1.00 13.30 C ATOM 1251 O LEU A 80 17.005 -5.959 9.760 1.00 24.13 O ATOM 1252 CB LEU A 80 17.713 -8.639 8.146 1.00 73.22 C ATOM 1253 CG LEU A 80 17.476 -9.744 7.118 1.00 34.44 C ATOM 1254 CD1 LEU A 80 18.772 -10.133 6.449 1.00 73.54 C ATOM 1255 CD2 LEU A 80 16.850 -10.961 7.775 1.00 70.44 C ATOM 0 H LEU A 80 16.295 -7.006 6.928 1.00 35.11 H new ATOM 0 HA LEU A 80 15.811 -8.865 9.097 1.00 43.34 H new ATOM 0 HB2 LEU A 80 18.287 -7.840 7.677 1.00 73.22 H new ATOM 0 HB3 LEU A 80 18.324 -9.037 8.956 1.00 73.22 H new ATOM 0 HG LEU A 80 16.790 -9.361 6.362 1.00 34.44 H new ATOM 0 HD11 LEU A 80 18.583 -10.921 5.720 1.00 73.54 H new ATOM 0 HD12 LEU A 80 19.195 -9.265 5.943 1.00 73.54 H new ATOM 0 HD13 LEU A 80 19.475 -10.494 7.200 1.00 73.54 H new ATOM 0 HD21 LEU A 80 16.689 -11.736 7.026 1.00 70.44 H new ATOM 0 HD22 LEU A 80 17.516 -11.338 8.551 1.00 70.44 H new ATOM 0 HD23 LEU A 80 15.895 -10.683 8.220 1.00 70.44 H new ATOM 1267 N PRO A 81 16.701 -7.707 11.150 1.00 53.43 N ATOM 1268 CA PRO A 81 16.942 -6.952 12.388 1.00 74.52 C ATOM 1269 C PRO A 81 18.291 -6.244 12.391 1.00 44.43 C ATOM 1270 O PRO A 81 18.411 -5.123 12.882 1.00 64.13 O ATOM 1271 CB PRO A 81 16.901 -8.026 13.478 1.00 0.31 C ATOM 1272 CG PRO A 81 16.091 -9.128 12.894 1.00 34.34 C ATOM 1273 CD PRO A 81 16.393 -9.121 11.424 1.00 51.54 C ATOM 0 HA PRO A 81 16.207 -6.158 12.524 1.00 74.52 H new ATOM 0 HB2 PRO A 81 17.904 -8.366 13.736 1.00 0.31 H new ATOM 0 HB3 PRO A 81 16.448 -7.644 14.393 1.00 0.31 H new ATOM 0 HG2 PRO A 81 16.353 -10.086 13.343 1.00 34.34 H new ATOM 0 HG3 PRO A 81 15.028 -8.971 13.076 1.00 34.34 H new ATOM 0 HD2 PRO A 81 17.235 -9.770 11.183 1.00 51.54 H new ATOM 0 HD3 PRO A 81 15.543 -9.469 10.837 1.00 51.54 H new ATOM 1281 N GLY A 82 19.301 -6.896 11.830 1.00 73.32 N ATOM 1282 CA GLY A 82 20.614 -6.291 11.743 1.00 53.34 C ATOM 1283 C GLY A 82 20.656 -5.153 10.746 1.00 34.43 C ATOM 1284 O GLY A 82 21.577 -4.342 10.755 1.00 4.35 O ATOM 0 H GLY A 82 19.234 -7.833 11.434 1.00 73.32 H new ATOM 0 HA2 GLY A 82 20.907 -5.922 12.726 1.00 53.34 H new ATOM 0 HA3 GLY A 82 21.343 -7.049 11.457 1.00 53.34 H new ATOM 1288 N ALA A 83 19.654 -5.096 9.881 1.00 61.15 N ATOM 1289 CA ALA A 83 19.571 -4.056 8.871 1.00 53.00 C ATOM 1290 C ALA A 83 18.681 -2.913 9.336 1.00 24.43 C ATOM 1291 O ALA A 83 19.144 -1.783 9.504 1.00 41.11 O ATOM 1292 CB ALA A 83 19.041 -4.628 7.564 1.00 54.33 C ATOM 0 H ALA A 83 18.883 -5.764 9.860 1.00 61.15 H new ATOM 0 HA ALA A 83 20.575 -3.665 8.708 1.00 53.00 H new ATOM 0 HB1 ALA A 83 18.984 -3.836 6.817 1.00 54.33 H new ATOM 0 HB2 ALA A 83 19.711 -5.412 7.212 1.00 54.33 H new ATOM 0 HB3 ALA A 83 18.047 -5.046 7.726 1.00 54.33 H new ATOM 1298 N ARG A 84 17.409 -3.226 9.560 1.00 65.23 N ATOM 1299 CA ARG A 84 16.405 -2.217 9.864 1.00 25.33 C ATOM 1300 C ARG A 84 15.052 -2.865 10.141 1.00 41.12 C ATOM 1301 O ARG A 84 14.478 -3.519 9.273 1.00 75.04 O ATOM 1302 CB ARG A 84 16.292 -1.239 8.688 1.00 65.35 C ATOM 1303 CG ARG A 84 15.022 -0.409 8.677 1.00 15.32 C ATOM 1304 CD ARG A 84 15.011 0.551 7.501 1.00 22.21 C ATOM 1305 NE ARG A 84 15.856 1.720 7.738 1.00 34.22 N ATOM 1306 CZ ARG A 84 16.344 2.506 6.776 1.00 44.33 C ATOM 1307 NH1 ARG A 84 16.138 2.209 5.496 1.00 44.21 N ATOM 1308 NH2 ARG A 84 17.052 3.579 7.097 1.00 2.23 N ATOM 0 H ARG A 84 17.048 -4.180 9.536 1.00 65.23 H new ATOM 0 HA ARG A 84 16.710 -1.675 10.759 1.00 25.33 H new ATOM 0 HB2 ARG A 84 17.150 -0.567 8.708 1.00 65.35 H new ATOM 0 HB3 ARG A 84 16.350 -1.803 7.757 1.00 65.35 H new ATOM 0 HG2 ARG A 84 14.154 -1.066 8.623 1.00 15.32 H new ATOM 0 HG3 ARG A 84 14.941 0.151 9.609 1.00 15.32 H new ATOM 0 HD2 ARG A 84 15.354 0.032 6.606 1.00 22.21 H new ATOM 0 HD3 ARG A 84 13.989 0.876 7.308 1.00 22.21 H new ATOM 0 HE ARG A 84 16.088 1.951 8.704 1.00 34.22 H new ATOM 0 HH11 ARG A 84 15.605 1.377 5.245 1.00 44.21 H new ATOM 0 HH12 ARG A 84 16.513 2.814 4.765 1.00 44.21 H new ATOM 0 HH21 ARG A 84 17.223 3.803 8.077 1.00 2.23 H new ATOM 0 HH22 ARG A 84 17.426 4.181 6.364 1.00 2.23 H new ATOM 1322 N ILE A 85 14.549 -2.689 11.352 1.00 51.04 N ATOM 1323 CA ILE A 85 13.219 -3.169 11.699 1.00 44.40 C ATOM 1324 C ILE A 85 12.281 -2.000 11.988 1.00 24.12 C ATOM 1325 O ILE A 85 12.599 -0.854 11.659 1.00 65.14 O ATOM 1326 CB ILE A 85 13.244 -4.158 12.891 1.00 51.03 C ATOM 1327 CG1 ILE A 85 14.224 -3.712 13.983 1.00 53.42 C ATOM 1328 CG2 ILE A 85 13.597 -5.556 12.405 1.00 24.22 C ATOM 1329 CD1 ILE A 85 13.746 -2.540 14.814 1.00 53.11 C ATOM 0 H ILE A 85 15.040 -2.218 12.112 1.00 51.04 H new ATOM 0 HA ILE A 85 12.841 -3.717 10.836 1.00 44.40 H new ATOM 0 HB ILE A 85 12.247 -4.170 13.331 1.00 51.03 H new ATOM 0 HG12 ILE A 85 14.419 -4.555 14.645 1.00 53.42 H new ATOM 0 HG13 ILE A 85 15.173 -3.447 13.516 1.00 53.42 H new ATOM 0 HG21 ILE A 85 13.612 -6.243 13.251 1.00 24.22 H new ATOM 0 HG22 ILE A 85 12.853 -5.888 11.681 1.00 24.22 H new ATOM 0 HG23 ILE A 85 14.580 -5.540 11.934 1.00 24.22 H new ATOM 0 HD11 ILE A 85 14.500 -2.292 15.561 1.00 53.11 H new ATOM 0 HD12 ILE A 85 13.579 -1.679 14.167 1.00 53.11 H new ATOM 0 HD13 ILE A 85 12.814 -2.804 15.313 1.00 53.11 H new ATOM 1341 N GLU A 86 11.122 -2.301 12.582 1.00 23.23 N ATOM 1342 CA GLU A 86 10.084 -1.302 12.871 1.00 73.11 C ATOM 1343 C GLU A 86 9.386 -0.830 11.600 1.00 62.44 C ATOM 1344 O GLU A 86 8.576 0.096 11.634 1.00 12.45 O ATOM 1345 CB GLU A 86 10.646 -0.099 13.641 1.00 32.14 C ATOM 1346 CG GLU A 86 10.880 -0.375 15.114 1.00 35.31 C ATOM 1347 CD GLU A 86 9.630 -0.883 15.802 1.00 23.41 C ATOM 1348 OE1 GLU A 86 8.667 -0.099 15.943 1.00 65.24 O ATOM 1349 OE2 GLU A 86 9.595 -2.071 16.180 1.00 43.21 O ATOM 0 H GLU A 86 10.875 -3.246 12.877 1.00 23.23 H new ATOM 0 HA GLU A 86 9.348 -1.797 13.504 1.00 73.11 H new ATOM 0 HB2 GLU A 86 11.587 0.207 13.184 1.00 32.14 H new ATOM 0 HB3 GLU A 86 9.956 0.739 13.542 1.00 32.14 H new ATOM 0 HG2 GLU A 86 11.678 -1.110 15.223 1.00 35.31 H new ATOM 0 HG3 GLU A 86 11.218 0.538 15.605 1.00 35.31 H new ATOM 1356 N ASN A 87 9.685 -1.487 10.488 1.00 62.25 N ATOM 1357 CA ASN A 87 9.060 -1.160 9.214 1.00 11.34 C ATOM 1358 C ASN A 87 7.621 -1.668 9.213 1.00 73.32 C ATOM 1359 O ASN A 87 7.362 -2.814 9.584 1.00 33.15 O ATOM 1360 CB ASN A 87 9.858 -1.798 8.067 1.00 2.31 C ATOM 1361 CG ASN A 87 9.479 -1.264 6.695 1.00 70.11 C ATOM 1362 OD1 ASN A 87 8.354 -0.836 6.463 1.00 74.34 O ATOM 1363 ND2 ASN A 87 10.427 -1.290 5.770 1.00 75.31 N ATOM 0 H ASN A 87 10.358 -2.252 10.442 1.00 62.25 H new ATOM 0 HA ASN A 87 9.054 -0.079 9.072 1.00 11.34 H new ATOM 0 HB2 ASN A 87 10.921 -1.625 8.234 1.00 2.31 H new ATOM 0 HB3 ASN A 87 9.704 -2.877 8.084 1.00 2.31 H new ATOM 0 HD21 ASN A 87 10.231 -0.947 4.830 1.00 75.31 H new ATOM 0 HD22 ASN A 87 11.352 -1.653 5.998 1.00 75.31 H new ATOM 1370 N SER A 88 6.689 -0.815 8.813 1.00 54.24 N ATOM 1371 CA SER A 88 5.283 -1.176 8.810 1.00 31.31 C ATOM 1372 C SER A 88 4.772 -1.263 7.377 1.00 71.13 C ATOM 1373 O SER A 88 4.929 -0.325 6.596 1.00 52.45 O ATOM 1374 CB SER A 88 4.487 -0.135 9.605 1.00 23.23 C ATOM 1375 OG SER A 88 3.133 -0.516 9.762 1.00 21.20 O ATOM 0 H SER A 88 6.883 0.132 8.487 1.00 54.24 H new ATOM 0 HA SER A 88 5.155 -2.151 9.280 1.00 31.31 H new ATOM 0 HB2 SER A 88 4.943 -0.001 10.586 1.00 23.23 H new ATOM 0 HB3 SER A 88 4.537 0.827 9.096 1.00 23.23 H new ATOM 0 HG SER A 88 3.003 -0.901 10.654 1.00 21.20 H new ATOM 1381 N GLY A 89 4.159 -2.389 7.038 1.00 43.35 N ATOM 1382 CA GLY A 89 3.656 -2.579 5.696 1.00 43.42 C ATOM 1383 C GLY A 89 2.979 -3.919 5.529 1.00 51.14 C ATOM 1384 O GLY A 89 3.524 -4.826 4.898 1.00 62.44 O ATOM 0 H GLY A 89 4.002 -3.174 7.670 1.00 43.35 H new ATOM 0 HA2 GLY A 89 2.949 -1.784 5.458 1.00 43.42 H new ATOM 0 HA3 GLY A 89 4.479 -2.498 4.986 1.00 43.42 H new ATOM 1388 N GLU A 90 1.799 -4.055 6.116 1.00 14.10 N ATOM 1389 CA GLU A 90 1.023 -5.276 5.982 1.00 65.13 C ATOM 1390 C GLU A 90 -0.104 -5.062 4.983 1.00 2.43 C ATOM 1391 O GLU A 90 -0.981 -4.223 5.194 1.00 63.24 O ATOM 1392 CB GLU A 90 0.458 -5.713 7.339 1.00 10.12 C ATOM 1393 CG GLU A 90 -0.230 -7.073 7.309 1.00 62.53 C ATOM 1394 CD GLU A 90 -0.756 -7.492 8.665 1.00 61.42 C ATOM 1395 OE1 GLU A 90 0.036 -8.001 9.484 1.00 30.43 O ATOM 1396 OE2 GLU A 90 -1.963 -7.316 8.925 1.00 71.22 O ATOM 0 H GLU A 90 1.359 -3.335 6.689 1.00 14.10 H new ATOM 0 HA GLU A 90 1.677 -6.068 5.618 1.00 65.13 H new ATOM 0 HB2 GLU A 90 1.268 -5.742 8.067 1.00 10.12 H new ATOM 0 HB3 GLU A 90 -0.254 -4.963 7.684 1.00 10.12 H new ATOM 0 HG2 GLU A 90 -1.055 -7.042 6.597 1.00 62.53 H new ATOM 0 HG3 GLU A 90 0.474 -7.824 6.949 1.00 62.53 H new ATOM 1403 N VAL A 91 -0.055 -5.798 3.886 1.00 11.24 N ATOM 1404 CA VAL A 91 -1.059 -5.684 2.844 1.00 11.52 C ATOM 1405 C VAL A 91 -2.047 -6.831 2.905 1.00 42.23 C ATOM 1406 O VAL A 91 -1.671 -8.005 2.899 1.00 31.11 O ATOM 1407 CB VAL A 91 -0.424 -5.645 1.441 1.00 1.14 C ATOM 1408 CG1 VAL A 91 -1.487 -5.642 0.359 1.00 61.34 C ATOM 1409 CG2 VAL A 91 0.470 -4.430 1.306 1.00 73.35 C ATOM 0 H VAL A 91 0.674 -6.485 3.694 1.00 11.24 H new ATOM 0 HA VAL A 91 -1.583 -4.745 3.021 1.00 11.52 H new ATOM 0 HB VAL A 91 0.179 -6.544 1.316 1.00 1.14 H new ATOM 0 HG11 VAL A 91 -1.009 -5.614 -0.620 1.00 61.34 H new ATOM 0 HG12 VAL A 91 -2.093 -6.544 0.442 1.00 61.34 H new ATOM 0 HG13 VAL A 91 -2.124 -4.765 0.477 1.00 61.34 H new ATOM 0 HG21 VAL A 91 0.913 -4.413 0.310 1.00 73.35 H new ATOM 0 HG22 VAL A 91 -0.120 -3.526 1.456 1.00 73.35 H new ATOM 0 HG23 VAL A 91 1.261 -4.475 2.055 1.00 73.35 H new ATOM 1419 N LEU A 92 -3.309 -6.473 2.960 1.00 12.34 N ATOM 1420 CA LEU A 92 -4.383 -7.451 2.955 1.00 43.31 C ATOM 1421 C LEU A 92 -5.144 -7.376 1.638 1.00 62.30 C ATOM 1422 O LEU A 92 -5.680 -6.327 1.285 1.00 33.21 O ATOM 1423 CB LEU A 92 -5.350 -7.232 4.130 1.00 71.11 C ATOM 1424 CG LEU A 92 -4.813 -7.572 5.530 1.00 11.22 C ATOM 1425 CD1 LEU A 92 -4.177 -8.950 5.542 1.00 70.42 C ATOM 1426 CD2 LEU A 92 -3.831 -6.519 6.016 1.00 62.33 C ATOM 0 H LEU A 92 -3.623 -5.504 3.009 1.00 12.34 H new ATOM 0 HA LEU A 92 -3.938 -8.440 3.066 1.00 43.31 H new ATOM 0 HB2 LEU A 92 -5.660 -6.187 4.127 1.00 71.11 H new ATOM 0 HB3 LEU A 92 -6.244 -7.830 3.953 1.00 71.11 H new ATOM 0 HG LEU A 92 -5.658 -7.579 6.218 1.00 11.22 H new ATOM 0 HD11 LEU A 92 -3.804 -9.170 6.542 1.00 70.42 H new ATOM 0 HD12 LEU A 92 -4.920 -9.696 5.260 1.00 70.42 H new ATOM 0 HD13 LEU A 92 -3.350 -8.975 4.833 1.00 70.42 H new ATOM 0 HD21 LEU A 92 -3.470 -6.789 7.008 1.00 62.33 H new ATOM 0 HD22 LEU A 92 -2.989 -6.461 5.327 1.00 62.33 H new ATOM 0 HD23 LEU A 92 -4.329 -5.551 6.062 1.00 62.33 H new ATOM 1438 N PHE A 93 -5.178 -8.481 0.909 1.00 65.35 N ATOM 1439 CA PHE A 93 -5.903 -8.533 -0.351 1.00 54.53 C ATOM 1440 C PHE A 93 -7.277 -9.149 -0.145 1.00 30.13 C ATOM 1441 O PHE A 93 -7.398 -10.302 0.272 1.00 73.01 O ATOM 1442 CB PHE A 93 -5.112 -9.314 -1.402 1.00 73.33 C ATOM 1443 CG PHE A 93 -3.916 -8.571 -1.922 1.00 21.14 C ATOM 1444 CD1 PHE A 93 -4.070 -7.369 -2.596 1.00 2.42 C ATOM 1445 CD2 PHE A 93 -2.640 -9.071 -1.739 1.00 62.02 C ATOM 1446 CE1 PHE A 93 -2.971 -6.685 -3.077 1.00 2.13 C ATOM 1447 CE2 PHE A 93 -1.539 -8.390 -2.219 1.00 12.04 C ATOM 1448 CZ PHE A 93 -1.703 -7.196 -2.888 1.00 40.10 C ATOM 0 H PHE A 93 -4.713 -9.352 1.167 1.00 65.35 H new ATOM 0 HA PHE A 93 -6.032 -7.514 -0.715 1.00 54.53 H new ATOM 0 HB2 PHE A 93 -4.784 -10.259 -0.970 1.00 73.33 H new ATOM 0 HB3 PHE A 93 -5.771 -9.556 -2.236 1.00 73.33 H new ATOM 0 HD1 PHE A 93 -5.060 -6.964 -2.746 1.00 2.42 H new ATOM 0 HD2 PHE A 93 -2.503 -10.005 -1.215 1.00 62.02 H new ATOM 0 HE1 PHE A 93 -3.104 -5.750 -3.601 1.00 2.13 H new ATOM 0 HE2 PHE A 93 -0.548 -8.793 -2.070 1.00 12.04 H new ATOM 0 HZ PHE A 93 -0.842 -6.662 -3.263 1.00 40.10 H new ATOM 1458 N ARG A 94 -8.310 -8.369 -0.421 1.00 22.22 N ATOM 1459 CA ARG A 94 -9.675 -8.812 -0.198 1.00 22.51 C ATOM 1460 C ARG A 94 -10.486 -8.718 -1.487 1.00 73.10 C ATOM 1461 O ARG A 94 -10.265 -7.822 -2.305 1.00 64.23 O ATOM 1462 CB ARG A 94 -10.335 -7.966 0.896 1.00 61.41 C ATOM 1463 CG ARG A 94 -9.422 -7.675 2.079 1.00 52.03 C ATOM 1464 CD ARG A 94 -10.179 -7.040 3.232 1.00 71.33 C ATOM 1465 NE ARG A 94 -10.998 -8.012 3.953 1.00 42.41 N ATOM 1466 CZ ARG A 94 -11.769 -7.710 4.996 1.00 34.32 C ATOM 1467 NH1 ARG A 94 -11.925 -6.443 5.370 1.00 42.31 N ATOM 1468 NH2 ARG A 94 -12.412 -8.672 5.644 1.00 14.01 N ATOM 0 H ARG A 94 -8.228 -7.426 -0.800 1.00 22.22 H new ATOM 0 HA ARG A 94 -9.650 -9.853 0.124 1.00 22.51 H new ATOM 0 HB2 ARG A 94 -10.666 -7.022 0.463 1.00 61.41 H new ATOM 0 HB3 ARG A 94 -11.226 -8.482 1.254 1.00 61.41 H new ATOM 0 HG2 ARG A 94 -8.957 -8.601 2.416 1.00 52.03 H new ATOM 0 HG3 ARG A 94 -8.617 -7.011 1.763 1.00 52.03 H new ATOM 0 HD2 ARG A 94 -9.470 -6.581 3.922 1.00 71.33 H new ATOM 0 HD3 ARG A 94 -10.816 -6.241 2.851 1.00 71.33 H new ATOM 0 HE ARG A 94 -10.978 -8.982 3.638 1.00 42.41 H new ATOM 0 HH11 ARG A 94 -11.453 -5.698 4.857 1.00 42.31 H new ATOM 0 HH12 ARG A 94 -12.517 -6.216 6.169 1.00 42.31 H new ATOM 0 HH21 ARG A 94 -12.316 -9.642 5.343 1.00 14.01 H new ATOM 0 HH22 ARG A 94 -13.003 -8.442 6.443 1.00 14.01 H new ATOM 1482 N PRO A 95 -11.423 -9.655 -1.695 1.00 62.44 N ATOM 1483 CA PRO A 95 -12.329 -9.624 -2.848 1.00 21.12 C ATOM 1484 C PRO A 95 -13.139 -8.332 -2.878 1.00 11.52 C ATOM 1485 O PRO A 95 -13.895 -8.042 -1.951 1.00 75.31 O ATOM 1486 CB PRO A 95 -13.245 -10.831 -2.624 1.00 62.05 C ATOM 1487 CG PRO A 95 -12.487 -11.726 -1.704 1.00 13.13 C ATOM 1488 CD PRO A 95 -11.668 -10.821 -0.831 1.00 75.34 C ATOM 0 HA PRO A 95 -11.797 -9.664 -3.798 1.00 21.12 H new ATOM 0 HB2 PRO A 95 -14.196 -10.529 -2.186 1.00 62.05 H new ATOM 0 HB3 PRO A 95 -13.473 -11.333 -3.564 1.00 62.05 H new ATOM 0 HG2 PRO A 95 -13.165 -12.336 -1.107 1.00 13.13 H new ATOM 0 HG3 PRO A 95 -11.850 -12.411 -2.263 1.00 13.13 H new ATOM 0 HD2 PRO A 95 -12.203 -10.544 0.077 1.00 75.34 H new ATOM 0 HD3 PRO A 95 -10.737 -11.295 -0.520 1.00 75.34 H new ATOM 1496 N ALA A 96 -12.976 -7.556 -3.939 1.00 33.42 N ATOM 1497 CA ALA A 96 -13.590 -6.239 -4.008 1.00 23.44 C ATOM 1498 C ALA A 96 -15.041 -6.311 -4.465 1.00 41.24 C ATOM 1499 O ALA A 96 -15.402 -7.135 -5.309 1.00 74.52 O ATOM 1500 CB ALA A 96 -12.793 -5.341 -4.937 1.00 1.41 C ATOM 0 H ALA A 96 -12.427 -7.813 -4.759 1.00 33.42 H new ATOM 0 HA ALA A 96 -13.583 -5.819 -3.002 1.00 23.44 H new ATOM 0 HB1 ALA A 96 -13.261 -4.357 -4.982 1.00 1.41 H new ATOM 0 HB2 ALA A 96 -11.774 -5.242 -4.562 1.00 1.41 H new ATOM 0 HB3 ALA A 96 -12.771 -5.778 -5.935 1.00 1.41 H new ATOM 1506 N PRO A 97 -15.887 -5.435 -3.905 1.00 63.24 N ATOM 1507 CA PRO A 97 -17.303 -5.334 -4.274 1.00 22.20 C ATOM 1508 C PRO A 97 -17.492 -4.979 -5.745 1.00 62.43 C ATOM 1509 O PRO A 97 -16.858 -4.052 -6.260 1.00 62.03 O ATOM 1510 CB PRO A 97 -17.826 -4.200 -3.391 1.00 3.30 C ATOM 1511 CG PRO A 97 -16.866 -4.119 -2.259 1.00 34.24 C ATOM 1512 CD PRO A 97 -15.534 -4.480 -2.840 1.00 11.12 C ATOM 0 HA PRO A 97 -17.825 -6.280 -4.132 1.00 22.20 H new ATOM 0 HB2 PRO A 97 -17.868 -3.260 -3.940 1.00 3.30 H new ATOM 0 HB3 PRO A 97 -18.836 -4.409 -3.038 1.00 3.30 H new ATOM 0 HG2 PRO A 97 -16.849 -3.117 -1.830 1.00 34.24 H new ATOM 0 HG3 PRO A 97 -17.144 -4.804 -1.458 1.00 34.24 H new ATOM 0 HD2 PRO A 97 -15.016 -3.607 -3.236 1.00 11.12 H new ATOM 0 HD3 PRO A 97 -14.877 -4.930 -2.096 1.00 11.12 H new ATOM 1520 N GLY A 98 -18.347 -5.734 -6.419 1.00 53.45 N ATOM 1521 CA GLY A 98 -18.636 -5.474 -7.813 1.00 53.32 C ATOM 1522 C GLY A 98 -17.604 -6.095 -8.727 1.00 33.23 C ATOM 1523 O GLY A 98 -17.688 -5.966 -9.951 1.00 72.33 O ATOM 0 H GLY A 98 -18.849 -6.528 -6.021 1.00 53.45 H new ATOM 0 HA2 GLY A 98 -19.622 -5.867 -8.059 1.00 53.32 H new ATOM 0 HA3 GLY A 98 -18.670 -4.398 -7.982 1.00 53.32 H new ATOM 1527 N ALA A 99 -16.626 -6.770 -8.117 1.00 12.31 N ATOM 1528 CA ALA A 99 -15.541 -7.422 -8.842 1.00 24.34 C ATOM 1529 C ALA A 99 -14.757 -6.420 -9.686 1.00 44.55 C ATOM 1530 O ALA A 99 -14.272 -6.753 -10.767 1.00 75.12 O ATOM 1531 CB ALA A 99 -16.080 -8.555 -9.706 1.00 65.12 C ATOM 0 H ALA A 99 -16.567 -6.878 -7.104 1.00 12.31 H new ATOM 0 HA ALA A 99 -14.854 -7.845 -8.109 1.00 24.34 H new ATOM 0 HB1 ALA A 99 -15.256 -9.029 -10.239 1.00 65.12 H new ATOM 0 HB2 ALA A 99 -16.575 -9.292 -9.073 1.00 65.12 H new ATOM 0 HB3 ALA A 99 -16.795 -8.156 -10.425 1.00 65.12 H new ATOM 1537 N ARG A 100 -14.634 -5.191 -9.184 1.00 61.20 N ATOM 1538 CA ARG A 100 -13.829 -4.165 -9.852 1.00 13.43 C ATOM 1539 C ARG A 100 -12.372 -4.615 -9.962 1.00 40.20 C ATOM 1540 O ARG A 100 -11.670 -4.281 -10.918 1.00 64.32 O ATOM 1541 CB ARG A 100 -13.902 -2.836 -9.090 1.00 60.13 C ATOM 1542 CG ARG A 100 -15.185 -2.048 -9.322 1.00 20.31 C ATOM 1543 CD ARG A 100 -15.330 -1.660 -10.786 1.00 62.31 C ATOM 1544 NE ARG A 100 -16.337 -0.618 -10.994 1.00 72.33 N ATOM 1545 CZ ARG A 100 -16.934 -0.390 -12.165 1.00 53.24 C ATOM 1546 NH1 ARG A 100 -16.740 -1.216 -13.184 1.00 24.32 N ATOM 1547 NH2 ARG A 100 -17.743 0.651 -12.313 1.00 35.11 N ATOM 0 H ARG A 100 -15.079 -4.881 -8.320 1.00 61.20 H new ATOM 0 HA ARG A 100 -14.234 -4.019 -10.854 1.00 13.43 H new ATOM 0 HB2 ARG A 100 -13.801 -3.037 -8.023 1.00 60.13 H new ATOM 0 HB3 ARG A 100 -13.053 -2.218 -9.380 1.00 60.13 H new ATOM 0 HG2 ARG A 100 -16.043 -2.645 -9.014 1.00 20.31 H new ATOM 0 HG3 ARG A 100 -15.182 -1.151 -8.703 1.00 20.31 H new ATOM 0 HD2 ARG A 100 -14.368 -1.312 -11.163 1.00 62.31 H new ATOM 0 HD3 ARG A 100 -15.599 -2.542 -11.367 1.00 62.31 H new ATOM 0 HE ARG A 100 -16.597 -0.034 -10.199 1.00 72.33 H new ATOM 0 HH11 ARG A 100 -16.133 -2.028 -13.074 1.00 24.32 H new ATOM 0 HH12 ARG A 100 -17.198 -1.039 -14.078 1.00 24.32 H new ATOM 0 HH21 ARG A 100 -17.911 1.282 -11.529 1.00 35.11 H new ATOM 0 HH22 ARG A 100 -18.197 0.821 -13.211 1.00 35.11 H new ATOM 1561 N GLY A 101 -11.943 -5.384 -8.975 1.00 25.02 N ATOM 1562 CA GLY A 101 -10.592 -5.897 -8.932 1.00 32.22 C ATOM 1563 C GLY A 101 -10.321 -6.540 -7.593 1.00 74.43 C ATOM 1564 O GLY A 101 -11.187 -7.236 -7.055 1.00 2.24 O ATOM 0 H GLY A 101 -12.523 -5.667 -8.185 1.00 25.02 H new ATOM 0 HA2 GLY A 101 -10.446 -6.625 -9.730 1.00 32.22 H new ATOM 0 HA3 GLY A 101 -9.882 -5.088 -9.106 1.00 32.22 H new ATOM 1568 N THR A 102 -9.151 -6.297 -7.037 1.00 21.33 N ATOM 1569 CA THR A 102 -8.837 -6.784 -5.707 1.00 11.40 C ATOM 1570 C THR A 102 -8.490 -5.618 -4.788 1.00 62.40 C ATOM 1571 O THR A 102 -7.710 -4.738 -5.155 1.00 60.24 O ATOM 1572 CB THR A 102 -7.682 -7.802 -5.741 1.00 55.22 C ATOM 1573 OG1 THR A 102 -8.025 -8.884 -6.620 1.00 21.11 O ATOM 1574 CG2 THR A 102 -7.392 -8.351 -4.351 1.00 15.35 C ATOM 0 H THR A 102 -8.403 -5.767 -7.484 1.00 21.33 H new ATOM 0 HA THR A 102 -9.719 -7.293 -5.318 1.00 11.40 H new ATOM 0 HB THR A 102 -6.788 -7.294 -6.103 1.00 55.22 H new ATOM 0 HG1 THR A 102 -7.263 -9.495 -6.700 1.00 21.11 H new ATOM 0 HG21 THR A 102 -6.572 -9.067 -4.406 1.00 15.35 H new ATOM 0 HG22 THR A 102 -7.114 -7.532 -3.687 1.00 15.35 H new ATOM 0 HG23 THR A 102 -8.282 -8.847 -3.963 1.00 15.35 H new ATOM 1582 N GLU A 103 -9.112 -5.593 -3.621 1.00 31.31 N ATOM 1583 CA GLU A 103 -8.877 -4.549 -2.642 1.00 73.13 C ATOM 1584 C GLU A 103 -7.557 -4.774 -1.913 1.00 75.12 C ATOM 1585 O GLU A 103 -7.361 -5.801 -1.265 1.00 35.10 O ATOM 1586 CB GLU A 103 -10.036 -4.505 -1.645 1.00 32.40 C ATOM 1587 CG GLU A 103 -9.844 -3.500 -0.523 1.00 34.44 C ATOM 1588 CD GLU A 103 -11.004 -3.473 0.453 1.00 31.53 C ATOM 1589 OE1 GLU A 103 -11.263 -4.507 1.104 1.00 32.43 O ATOM 1590 OE2 GLU A 103 -11.660 -2.416 0.577 1.00 1.02 O ATOM 0 H GLU A 103 -9.792 -6.294 -3.328 1.00 31.31 H new ATOM 0 HA GLU A 103 -8.815 -3.592 -3.161 1.00 73.13 H new ATOM 0 HB2 GLU A 103 -10.955 -4.266 -2.181 1.00 32.40 H new ATOM 0 HB3 GLU A 103 -10.168 -5.497 -1.213 1.00 32.40 H new ATOM 0 HG2 GLU A 103 -8.927 -3.737 0.017 1.00 34.44 H new ATOM 0 HG3 GLU A 103 -9.713 -2.506 -0.951 1.00 34.44 H new ATOM 1597 N VAL A 104 -6.658 -3.810 -2.045 1.00 21.40 N ATOM 1598 CA VAL A 104 -5.388 -3.827 -1.335 1.00 62.45 C ATOM 1599 C VAL A 104 -5.468 -2.934 -0.097 1.00 31.21 C ATOM 1600 O VAL A 104 -5.513 -1.705 -0.193 1.00 55.34 O ATOM 1601 CB VAL A 104 -4.213 -3.386 -2.252 1.00 53.31 C ATOM 1602 CG1 VAL A 104 -4.541 -2.117 -3.007 1.00 15.41 C ATOM 1603 CG2 VAL A 104 -2.938 -3.190 -1.453 1.00 4.22 C ATOM 0 H VAL A 104 -6.788 -2.996 -2.646 1.00 21.40 H new ATOM 0 HA VAL A 104 -5.191 -4.852 -1.023 1.00 62.45 H new ATOM 0 HB VAL A 104 -4.058 -4.187 -2.975 1.00 53.31 H new ATOM 0 HG11 VAL A 104 -3.696 -1.840 -3.637 1.00 15.41 H new ATOM 0 HG12 VAL A 104 -5.420 -2.281 -3.630 1.00 15.41 H new ATOM 0 HG13 VAL A 104 -4.744 -1.314 -2.298 1.00 15.41 H new ATOM 0 HG21 VAL A 104 -2.134 -2.882 -2.121 1.00 4.22 H new ATOM 0 HG22 VAL A 104 -3.097 -2.421 -0.697 1.00 4.22 H new ATOM 0 HG23 VAL A 104 -2.666 -4.126 -0.966 1.00 4.22 H new ATOM 1613 N VAL A 105 -5.533 -3.565 1.064 1.00 74.35 N ATOM 1614 CA VAL A 105 -5.557 -2.840 2.321 1.00 61.21 C ATOM 1615 C VAL A 105 -4.138 -2.674 2.835 1.00 54.11 C ATOM 1616 O VAL A 105 -3.500 -3.648 3.233 1.00 20.52 O ATOM 1617 CB VAL A 105 -6.392 -3.576 3.390 1.00 30.23 C ATOM 1618 CG1 VAL A 105 -6.536 -2.723 4.642 1.00 31.13 C ATOM 1619 CG2 VAL A 105 -7.755 -3.968 2.839 1.00 32.35 C ATOM 0 H VAL A 105 -5.570 -4.580 1.161 1.00 74.35 H new ATOM 0 HA VAL A 105 -6.016 -1.869 2.136 1.00 61.21 H new ATOM 0 HB VAL A 105 -5.865 -4.490 3.662 1.00 30.23 H new ATOM 0 HG11 VAL A 105 -7.128 -3.261 5.383 1.00 31.13 H new ATOM 0 HG12 VAL A 105 -5.549 -2.509 5.052 1.00 31.13 H new ATOM 0 HG13 VAL A 105 -7.034 -1.787 4.389 1.00 31.13 H new ATOM 0 HG21 VAL A 105 -8.325 -4.485 3.611 1.00 32.35 H new ATOM 0 HG22 VAL A 105 -8.294 -3.072 2.529 1.00 32.35 H new ATOM 0 HG23 VAL A 105 -7.625 -4.628 1.981 1.00 32.35 H new ATOM 1629 N VAL A 106 -3.641 -1.450 2.803 1.00 44.32 N ATOM 1630 CA VAL A 106 -2.300 -1.163 3.284 1.00 23.42 C ATOM 1631 C VAL A 106 -2.351 -0.314 4.543 1.00 14.00 C ATOM 1632 O VAL A 106 -2.918 0.781 4.547 1.00 64.44 O ATOM 1633 CB VAL A 106 -1.445 -0.428 2.226 1.00 33.21 C ATOM 1634 CG1 VAL A 106 -0.029 -0.201 2.740 1.00 51.30 C ATOM 1635 CG2 VAL A 106 -1.419 -1.200 0.918 1.00 11.55 C ATOM 0 H VAL A 106 -4.146 -0.638 2.449 1.00 44.32 H new ATOM 0 HA VAL A 106 -1.836 -2.126 3.499 1.00 23.42 H new ATOM 0 HB VAL A 106 -1.903 0.543 2.039 1.00 33.21 H new ATOM 0 HG11 VAL A 106 0.555 0.317 1.980 1.00 51.30 H new ATOM 0 HG12 VAL A 106 -0.063 0.404 3.646 1.00 51.30 H new ATOM 0 HG13 VAL A 106 0.436 -1.162 2.962 1.00 51.30 H new ATOM 0 HG21 VAL A 106 -0.811 -0.662 0.190 1.00 11.55 H new ATOM 0 HG22 VAL A 106 -0.992 -2.189 1.087 1.00 11.55 H new ATOM 0 HG23 VAL A 106 -2.435 -1.304 0.536 1.00 11.55 H new ATOM 1645 N ARG A 107 -1.776 -0.829 5.613 1.00 11.11 N ATOM 1646 CA ARG A 107 -1.623 -0.061 6.834 1.00 61.11 C ATOM 1647 C ARG A 107 -0.142 0.174 7.080 1.00 23.30 C ATOM 1648 O ARG A 107 0.579 -0.744 7.467 1.00 72.14 O ATOM 1649 CB ARG A 107 -2.272 -0.790 8.022 1.00 21.42 C ATOM 1650 CG ARG A 107 -2.403 0.059 9.287 1.00 22.23 C ATOM 1651 CD ARG A 107 -1.123 0.076 10.116 1.00 32.11 C ATOM 1652 NE ARG A 107 -0.834 -1.228 10.714 1.00 50.41 N ATOM 1653 CZ ARG A 107 0.117 -1.445 11.626 1.00 2.11 C ATOM 1654 NH1 ARG A 107 0.877 -0.441 12.059 1.00 24.24 N ATOM 1655 NH2 ARG A 107 0.307 -2.669 12.109 1.00 34.41 N ATOM 0 H ARG A 107 -1.406 -1.778 5.661 1.00 11.11 H new ATOM 0 HA ARG A 107 -2.128 0.899 6.729 1.00 61.11 H new ATOM 0 HB2 ARG A 107 -3.263 -1.133 7.725 1.00 21.42 H new ATOM 0 HB3 ARG A 107 -1.683 -1.678 8.254 1.00 21.42 H new ATOM 0 HG2 ARG A 107 -2.666 1.080 9.010 1.00 22.23 H new ATOM 0 HG3 ARG A 107 -3.221 -0.326 9.896 1.00 22.23 H new ATOM 0 HD2 ARG A 107 -0.287 0.377 9.485 1.00 32.11 H new ATOM 0 HD3 ARG A 107 -1.213 0.823 10.904 1.00 32.11 H new ATOM 0 HE ARG A 107 -1.397 -2.024 10.414 1.00 50.41 H new ATOM 0 HH11 ARG A 107 0.734 0.501 11.694 1.00 24.24 H new ATOM 0 HH12 ARG A 107 1.602 -0.614 12.756 1.00 24.24 H new ATOM 0 HH21 ARG A 107 -0.273 -3.442 11.783 1.00 34.41 H new ATOM 0 HH22 ARG A 107 1.033 -2.835 12.806 1.00 34.41 H new ATOM 1669 N LEU A 108 0.311 1.392 6.823 1.00 11.32 N ATOM 1670 CA LEU A 108 1.712 1.736 7.009 1.00 2.34 C ATOM 1671 C LEU A 108 1.838 2.842 8.042 1.00 11.20 C ATOM 1672 O LEU A 108 1.277 3.927 7.886 1.00 14.10 O ATOM 1673 CB LEU A 108 2.369 2.156 5.681 1.00 62.13 C ATOM 1674 CG LEU A 108 1.863 3.460 5.043 1.00 44.20 C ATOM 1675 CD1 LEU A 108 2.832 3.931 3.969 1.00 54.24 C ATOM 1676 CD2 LEU A 108 0.475 3.278 4.442 1.00 71.11 C ATOM 0 H LEU A 108 -0.271 2.158 6.485 1.00 11.32 H new ATOM 0 HA LEU A 108 2.237 0.851 7.368 1.00 2.34 H new ATOM 0 HB2 LEU A 108 3.442 2.253 5.848 1.00 62.13 H new ATOM 0 HB3 LEU A 108 2.229 1.349 4.962 1.00 62.13 H new ATOM 0 HG LEU A 108 1.800 4.214 5.828 1.00 44.20 H new ATOM 0 HD11 LEU A 108 2.462 4.855 3.525 1.00 54.24 H new ATOM 0 HD12 LEU A 108 3.811 4.109 4.415 1.00 54.24 H new ATOM 0 HD13 LEU A 108 2.919 3.167 3.197 1.00 54.24 H new ATOM 0 HD21 LEU A 108 0.145 4.217 3.999 1.00 71.11 H new ATOM 0 HD22 LEU A 108 0.510 2.506 3.673 1.00 71.11 H new ATOM 0 HD23 LEU A 108 -0.224 2.980 5.224 1.00 71.11 H new ATOM 1688 N THR A 109 2.555 2.561 9.110 1.00 50.24 N ATOM 1689 CA THR A 109 2.707 3.518 10.185 1.00 53.34 C ATOM 1690 C THR A 109 4.079 4.177 10.132 1.00 62.14 C ATOM 1691 O THR A 109 5.105 3.499 10.116 1.00 11.40 O ATOM 1692 CB THR A 109 2.485 2.839 11.551 1.00 13.44 C ATOM 1693 OG1 THR A 109 1.174 2.255 11.581 1.00 32.03 O ATOM 1694 CG2 THR A 109 2.633 3.829 12.699 1.00 13.11 C ATOM 0 H THR A 109 3.042 1.677 9.257 1.00 50.24 H new ATOM 0 HA THR A 109 1.951 4.293 10.059 1.00 53.34 H new ATOM 0 HB THR A 109 3.244 2.067 11.677 1.00 13.44 H new ATOM 0 HG1 THR A 109 0.883 2.152 12.511 1.00 32.03 H new ATOM 0 HG21 THR A 109 2.470 3.315 13.646 1.00 13.11 H new ATOM 0 HG22 THR A 109 3.636 4.255 12.685 1.00 13.11 H new ATOM 0 HG23 THR A 109 1.899 4.627 12.588 1.00 13.11 H new ATOM 1702 N TYR A 110 4.078 5.502 10.095 1.00 61.44 N ATOM 1703 CA TYR A 110 5.295 6.278 10.029 1.00 40.24 C ATOM 1704 C TYR A 110 5.091 7.567 10.807 1.00 63.14 C ATOM 1705 O TYR A 110 3.999 7.820 11.320 1.00 34.15 O ATOM 1706 CB TYR A 110 5.681 6.573 8.570 1.00 14.24 C ATOM 1707 CG TYR A 110 4.664 7.391 7.797 1.00 70.24 C ATOM 1708 CD1 TYR A 110 3.593 6.780 7.152 1.00 3.12 C ATOM 1709 CD2 TYR A 110 4.782 8.773 7.701 1.00 62.14 C ATOM 1710 CE1 TYR A 110 2.671 7.522 6.440 1.00 3.21 C ATOM 1711 CE2 TYR A 110 3.862 9.522 6.992 1.00 40.32 C ATOM 1712 CZ TYR A 110 2.809 8.892 6.363 1.00 70.54 C ATOM 1713 OH TYR A 110 1.892 9.634 5.654 1.00 61.54 O ATOM 0 H TYR A 110 3.228 6.065 10.110 1.00 61.44 H new ATOM 0 HA TYR A 110 6.114 5.710 10.470 1.00 40.24 H new ATOM 0 HB2 TYR A 110 6.634 7.101 8.561 1.00 14.24 H new ATOM 0 HB3 TYR A 110 5.836 5.627 8.051 1.00 14.24 H new ATOM 0 HD1 TYR A 110 3.481 5.707 7.209 1.00 3.12 H new ATOM 0 HD2 TYR A 110 5.607 9.270 8.189 1.00 62.14 H new ATOM 0 HE1 TYR A 110 1.846 7.031 5.946 1.00 3.21 H new ATOM 0 HE2 TYR A 110 3.967 10.595 6.931 1.00 40.32 H new ATOM 0 HH TYR A 110 2.133 10.583 5.700 1.00 61.54 H new ATOM 1782 N GLY A 115 8.247 16.619 13.993 1.00 73.45 N ATOM 1783 CA GLY A 115 6.898 17.004 14.356 1.00 53.31 C ATOM 1784 C GLY A 115 6.287 17.949 13.344 1.00 11.51 C ATOM 1785 O GLY A 115 6.143 17.596 12.171 1.00 61.15 O ATOM 0 HA2 GLY A 115 6.277 16.112 14.441 1.00 53.31 H new ATOM 0 HA3 GLY A 115 6.908 17.480 15.337 1.00 53.31 H new ATOM 1789 N SER A 116 5.974 19.162 13.789 1.00 35.21 N ATOM 1790 CA SER A 116 5.313 20.154 12.947 1.00 0.33 C ATOM 1791 C SER A 116 6.158 20.506 11.719 1.00 24.42 C ATOM 1792 O SER A 116 5.620 20.874 10.671 1.00 11.41 O ATOM 1793 CB SER A 116 5.028 21.420 13.754 1.00 61.12 C ATOM 1794 OG SER A 116 4.375 21.119 14.978 1.00 41.13 O ATOM 0 H SER A 116 6.170 19.484 14.737 1.00 35.21 H new ATOM 0 HA SER A 116 4.375 19.720 12.599 1.00 0.33 H new ATOM 0 HB2 SER A 116 5.963 21.941 13.958 1.00 61.12 H new ATOM 0 HB3 SER A 116 4.408 22.096 13.166 1.00 61.12 H new ATOM 0 HG SER A 116 4.208 21.949 15.472 1.00 41.13 H new ATOM 1800 N ALA A 117 7.477 20.380 11.846 1.00 71.20 N ATOM 1801 CA ALA A 117 8.387 20.684 10.746 1.00 74.12 C ATOM 1802 C ALA A 117 8.182 19.722 9.578 1.00 43.30 C ATOM 1803 O ALA A 117 8.490 20.044 8.433 1.00 51.12 O ATOM 1804 CB ALA A 117 9.830 20.631 11.225 1.00 61.15 C ATOM 0 H ALA A 117 7.939 20.069 12.701 1.00 71.20 H new ATOM 0 HA ALA A 117 8.167 21.692 10.395 1.00 74.12 H new ATOM 0 HB1 ALA A 117 10.498 20.860 10.394 1.00 61.15 H new ATOM 0 HB2 ALA A 117 9.976 21.362 12.020 1.00 61.15 H new ATOM 0 HB3 ALA A 117 10.051 19.633 11.604 1.00 61.15 H new ATOM 1810 N GLY A 118 7.637 18.548 9.872 1.00 25.42 N ATOM 1811 CA GLY A 118 7.437 17.540 8.848 1.00 1.12 C ATOM 1812 C GLY A 118 6.408 17.952 7.811 1.00 72.02 C ATOM 1813 O GLY A 118 6.401 17.433 6.692 1.00 13.35 O ATOM 0 H GLY A 118 7.329 18.275 10.805 1.00 25.42 H new ATOM 0 HA2 GLY A 118 8.386 17.339 8.352 1.00 1.12 H new ATOM 0 HA3 GLY A 118 7.120 16.609 9.318 1.00 1.12 H new ATOM 1817 N ALA A 119 5.551 18.896 8.177 1.00 54.41 N ATOM 1818 CA ALA A 119 4.485 19.347 7.292 1.00 52.23 C ATOM 1819 C ALA A 119 5.033 20.179 6.138 1.00 61.04 C ATOM 1820 O ALA A 119 4.609 20.020 4.993 1.00 55.11 O ATOM 1821 CB ALA A 119 3.450 20.138 8.076 1.00 72.34 C ATOM 0 H ALA A 119 5.573 19.365 9.082 1.00 54.41 H new ATOM 0 HA ALA A 119 4.007 18.465 6.865 1.00 52.23 H new ATOM 0 HB1 ALA A 119 2.659 20.469 7.403 1.00 72.34 H new ATOM 0 HB2 ALA A 119 3.023 19.506 8.855 1.00 72.34 H new ATOM 0 HB3 ALA A 119 3.925 21.006 8.533 1.00 72.34 H new ATOM 1827 N VAL A 120 5.984 21.061 6.428 1.00 3.11 N ATOM 1828 CA VAL A 120 6.550 21.914 5.393 1.00 63.25 C ATOM 1829 C VAL A 120 7.531 21.134 4.525 1.00 25.03 C ATOM 1830 O VAL A 120 7.602 21.346 3.318 1.00 32.22 O ATOM 1831 CB VAL A 120 7.239 23.170 5.975 1.00 5.20 C ATOM 1832 CG1 VAL A 120 6.219 24.073 6.652 1.00 1.05 C ATOM 1833 CG2 VAL A 120 8.352 22.799 6.947 1.00 32.12 C ATOM 0 H VAL A 120 6.374 21.202 7.360 1.00 3.11 H new ATOM 0 HA VAL A 120 5.717 22.253 4.777 1.00 63.25 H new ATOM 0 HB VAL A 120 7.692 23.713 5.145 1.00 5.20 H new ATOM 0 HG11 VAL A 120 6.722 24.952 7.056 1.00 1.05 H new ATOM 0 HG12 VAL A 120 5.470 24.386 5.924 1.00 1.05 H new ATOM 0 HG13 VAL A 120 5.733 23.529 7.462 1.00 1.05 H new ATOM 0 HG21 VAL A 120 8.813 23.707 7.336 1.00 32.12 H new ATOM 0 HG22 VAL A 120 7.936 22.221 7.772 1.00 32.12 H new ATOM 0 HG23 VAL A 120 9.104 22.203 6.429 1.00 32.12 H new ATOM 1843 N ILE A 121 8.259 20.207 5.143 1.00 1.51 N ATOM 1844 CA ILE A 121 9.221 19.378 4.423 1.00 3.13 C ATOM 1845 C ILE A 121 8.526 18.574 3.324 1.00 72.53 C ATOM 1846 O ILE A 121 9.116 18.300 2.273 1.00 65.05 O ATOM 1847 CB ILE A 121 9.965 18.419 5.385 1.00 53.21 C ATOM 1848 CG1 ILE A 121 10.750 19.224 6.426 1.00 22.11 C ATOM 1849 CG2 ILE A 121 10.902 17.494 4.615 1.00 12.31 C ATOM 1850 CD1 ILE A 121 11.445 18.367 7.465 1.00 12.33 C ATOM 0 H ILE A 121 8.200 20.011 6.142 1.00 1.51 H new ATOM 0 HA ILE A 121 9.952 20.045 3.966 1.00 3.13 H new ATOM 0 HB ILE A 121 9.225 17.803 5.896 1.00 53.21 H new ATOM 0 HG12 ILE A 121 11.495 19.834 5.914 1.00 22.11 H new ATOM 0 HG13 ILE A 121 10.069 19.910 6.930 1.00 22.11 H new ATOM 0 HG21 ILE A 121 11.413 16.830 5.313 1.00 12.31 H new ATOM 0 HG22 ILE A 121 10.325 16.900 3.906 1.00 12.31 H new ATOM 0 HG23 ILE A 121 11.639 18.089 4.075 1.00 12.31 H new ATOM 0 HD11 ILE A 121 11.979 19.008 8.167 1.00 12.33 H new ATOM 0 HD12 ILE A 121 10.704 17.777 8.004 1.00 12.33 H new ATOM 0 HD13 ILE A 121 12.152 17.700 6.972 1.00 12.33 H new ATOM 1862 N ALA A 122 7.264 18.229 3.566 1.00 30.44 N ATOM 1863 CA ALA A 122 6.460 17.490 2.599 1.00 22.42 C ATOM 1864 C ALA A 122 6.471 18.173 1.238 1.00 31.13 C ATOM 1865 O ALA A 122 6.903 17.593 0.245 1.00 61.20 O ATOM 1866 CB ALA A 122 5.032 17.348 3.101 1.00 40.23 C ATOM 0 H ALA A 122 6.773 18.452 4.432 1.00 30.44 H new ATOM 0 HA ALA A 122 6.898 16.499 2.485 1.00 22.42 H new ATOM 0 HB1 ALA A 122 4.443 16.795 2.370 1.00 40.23 H new ATOM 0 HB2 ALA A 122 5.031 16.811 4.049 1.00 40.23 H new ATOM 0 HB3 ALA A 122 4.597 18.337 3.244 1.00 40.23 H new ATOM 1872 N ARG A 123 6.031 19.420 1.208 1.00 12.54 N ATOM 1873 CA ARG A 123 5.935 20.172 -0.035 1.00 4.22 C ATOM 1874 C ARG A 123 7.298 20.720 -0.458 1.00 72.34 C ATOM 1875 O ARG A 123 7.491 21.106 -1.610 1.00 55.45 O ATOM 1876 CB ARG A 123 4.926 21.312 0.118 1.00 51.40 C ATOM 1877 CG ARG A 123 5.268 22.284 1.234 1.00 41.32 C ATOM 1878 CD ARG A 123 4.132 23.252 1.502 1.00 13.41 C ATOM 1879 NE ARG A 123 2.952 22.578 2.040 1.00 12.23 N ATOM 1880 CZ ARG A 123 1.968 23.209 2.676 1.00 51.41 C ATOM 1881 NH1 ARG A 123 2.027 24.523 2.865 1.00 63.12 N ATOM 1882 NH2 ARG A 123 0.934 22.520 3.136 1.00 65.14 N ATOM 0 H ARG A 123 5.733 19.937 2.035 1.00 12.54 H new ATOM 0 HA ARG A 123 5.591 19.494 -0.816 1.00 4.22 H new ATOM 0 HB2 ARG A 123 4.864 21.859 -0.823 1.00 51.40 H new ATOM 0 HB3 ARG A 123 3.939 20.889 0.306 1.00 51.40 H new ATOM 0 HG2 ARG A 123 5.495 21.728 2.144 1.00 41.32 H new ATOM 0 HG3 ARG A 123 6.166 22.841 0.969 1.00 41.32 H new ATOM 0 HD2 ARG A 123 4.465 24.016 2.205 1.00 13.41 H new ATOM 0 HD3 ARG A 123 3.867 23.764 0.577 1.00 13.41 H new ATOM 0 HE ARG A 123 2.879 21.568 1.921 1.00 12.23 H new ATOM 0 HH11 ARG A 123 2.829 25.052 2.522 1.00 63.12 H new ATOM 0 HH12 ARG A 123 1.270 25.003 3.353 1.00 63.12 H new ATOM 0 HH21 ARG A 123 0.894 21.510 3.002 1.00 65.14 H new ATOM 0 HH22 ARG A 123 0.178 23.000 3.624 1.00 65.14 H new ATOM 1896 N MET A 124 8.241 20.752 0.479 1.00 73.32 N ATOM 1897 CA MET A 124 9.584 21.234 0.187 1.00 12.41 C ATOM 1898 C MET A 124 10.347 20.251 -0.692 1.00 40.34 C ATOM 1899 O MET A 124 10.859 20.630 -1.746 1.00 43.13 O ATOM 1900 CB MET A 124 10.376 21.487 1.472 1.00 22.43 C ATOM 1901 CG MET A 124 10.021 22.788 2.175 1.00 43.30 C ATOM 1902 SD MET A 124 10.984 23.043 3.678 1.00 35.54 S ATOM 1903 CE MET A 124 12.652 23.014 3.018 1.00 21.24 C ATOM 0 H MET A 124 8.099 20.451 1.443 1.00 73.32 H new ATOM 0 HA MET A 124 9.472 22.176 -0.351 1.00 12.41 H new ATOM 0 HB2 MET A 124 10.207 20.658 2.159 1.00 22.43 H new ATOM 0 HB3 MET A 124 11.440 21.493 1.235 1.00 22.43 H new ATOM 0 HG2 MET A 124 10.188 23.623 1.494 1.00 43.30 H new ATOM 0 HG3 MET A 124 8.960 22.786 2.423 1.00 43.30 H new ATOM 0 HE1 MET A 124 13.266 23.740 3.550 1.00 21.24 H new ATOM 0 HE2 MET A 124 13.076 22.018 3.145 1.00 21.24 H new ATOM 0 HE3 MET A 124 12.628 23.266 1.958 1.00 21.24 H new ATOM 2057 N ARG A 134 -6.161 10.347 1.572 1.00 20.20 N ATOM 2058 CA ARG A 134 -7.220 9.383 1.241 1.00 1.34 C ATOM 2059 C ARG A 134 -7.687 9.499 -0.210 1.00 23.11 C ATOM 2060 O ARG A 134 -7.618 8.527 -0.959 1.00 52.15 O ATOM 2061 CB ARG A 134 -8.407 9.506 2.202 1.00 54.21 C ATOM 2062 CG ARG A 134 -8.163 8.861 3.557 1.00 45.12 C ATOM 2063 CD ARG A 134 -9.326 9.106 4.502 1.00 32.22 C ATOM 2064 NE ARG A 134 -9.247 8.276 5.702 1.00 22.20 N ATOM 2065 CZ ARG A 134 -9.160 8.755 6.941 1.00 0.35 C ATOM 2066 NH1 ARG A 134 -9.006 10.057 7.149 1.00 41.35 N ATOM 2067 NH2 ARG A 134 -9.196 7.919 7.967 1.00 33.25 N ATOM 0 HA ARG A 134 -6.781 8.392 1.359 1.00 1.34 H new ATOM 0 HB2 ARG A 134 -8.638 10.561 2.348 1.00 54.21 H new ATOM 0 HB3 ARG A 134 -9.284 9.048 1.744 1.00 54.21 H new ATOM 0 HG2 ARG A 134 -8.014 7.789 3.430 1.00 45.12 H new ATOM 0 HG3 ARG A 134 -7.247 9.260 3.993 1.00 45.12 H new ATOM 0 HD2 ARG A 134 -9.343 10.157 4.790 1.00 32.22 H new ATOM 0 HD3 ARG A 134 -10.263 8.903 3.983 1.00 32.22 H new ATOM 0 HE ARG A 134 -9.259 7.263 5.582 1.00 22.20 H new ATOM 0 HH11 ARG A 134 -8.954 10.697 6.357 1.00 41.35 H new ATOM 0 HH12 ARG A 134 -8.940 10.417 8.101 1.00 41.35 H new ATOM 0 HH21 ARG A 134 -9.290 6.916 7.805 1.00 33.25 H new ATOM 0 HH22 ARG A 134 -9.130 8.278 8.920 1.00 33.25 H new ATOM 2081 N ASP A 135 -8.142 10.677 -0.617 1.00 34.34 N ATOM 2082 CA ASP A 135 -8.659 10.861 -1.969 1.00 3.25 C ATOM 2083 C ASP A 135 -7.523 10.784 -2.987 1.00 44.02 C ATOM 2084 O ASP A 135 -7.734 10.392 -4.134 1.00 74.53 O ATOM 2085 CB ASP A 135 -9.440 12.175 -2.098 1.00 73.51 C ATOM 2086 CG ASP A 135 -8.559 13.402 -2.193 1.00 21.11 C ATOM 2087 OD1 ASP A 135 -7.896 13.737 -1.192 1.00 52.41 O ATOM 2088 OD2 ASP A 135 -8.551 14.040 -3.272 1.00 40.51 O ATOM 0 H ASP A 135 -8.164 11.515 -0.036 1.00 34.34 H new ATOM 0 HA ASP A 135 -9.359 10.052 -2.178 1.00 3.25 H new ATOM 0 HB2 ASP A 135 -10.074 12.125 -2.983 1.00 73.51 H new ATOM 0 HB3 ASP A 135 -10.101 12.280 -1.238 1.00 73.51 H new ATOM 2093 N ASP A 136 -6.318 11.154 -2.565 1.00 25.13 N ATOM 2094 CA ASP A 136 -5.130 10.994 -3.406 1.00 31.22 C ATOM 2095 C ASP A 136 -4.863 9.515 -3.683 1.00 3.42 C ATOM 2096 O ASP A 136 -4.357 9.152 -4.743 1.00 12.30 O ATOM 2097 CB ASP A 136 -3.900 11.632 -2.754 1.00 51.44 C ATOM 2098 CG ASP A 136 -2.667 11.542 -3.636 1.00 35.14 C ATOM 2099 OD1 ASP A 136 -2.506 12.396 -4.536 1.00 3.31 O ATOM 2100 OD2 ASP A 136 -1.854 10.615 -3.440 1.00 1.41 O ATOM 0 H ASP A 136 -6.135 11.565 -1.650 1.00 25.13 H new ATOM 0 HA ASP A 136 -5.322 11.504 -4.350 1.00 31.22 H new ATOM 0 HB2 ASP A 136 -4.110 12.679 -2.533 1.00 51.44 H new ATOM 0 HB3 ASP A 136 -3.700 11.140 -1.802 1.00 51.44 H new ATOM 2105 N LEU A 137 -5.237 8.660 -2.734 1.00 31.12 N ATOM 2106 CA LEU A 137 -5.055 7.220 -2.884 1.00 51.44 C ATOM 2107 C LEU A 137 -5.977 6.695 -3.986 1.00 34.54 C ATOM 2108 O LEU A 137 -5.687 5.688 -4.630 1.00 74.23 O ATOM 2109 CB LEU A 137 -5.337 6.507 -1.553 1.00 54.31 C ATOM 2110 CG LEU A 137 -5.030 5.005 -1.520 1.00 20.22 C ATOM 2111 CD1 LEU A 137 -3.558 4.753 -1.790 1.00 61.43 C ATOM 2112 CD2 LEU A 137 -5.425 4.406 -0.175 1.00 41.30 C ATOM 0 H LEU A 137 -5.668 8.940 -1.853 1.00 31.12 H new ATOM 0 HA LEU A 137 -4.022 7.016 -3.166 1.00 51.44 H new ATOM 0 HB2 LEU A 137 -4.754 6.995 -0.771 1.00 54.31 H new ATOM 0 HB3 LEU A 137 -6.388 6.649 -1.303 1.00 54.31 H new ATOM 0 HG LEU A 137 -5.615 4.523 -2.303 1.00 20.22 H new ATOM 0 HD11 LEU A 137 -3.361 3.681 -1.762 1.00 61.43 H new ATOM 0 HD12 LEU A 137 -3.296 5.145 -2.773 1.00 61.43 H new ATOM 0 HD13 LEU A 137 -2.958 5.252 -1.029 1.00 61.43 H new ATOM 0 HD21 LEU A 137 -5.199 3.340 -0.171 1.00 41.30 H new ATOM 0 HD22 LEU A 137 -4.866 4.898 0.621 1.00 41.30 H new ATOM 0 HD23 LEU A 137 -6.493 4.552 -0.011 1.00 41.30 H new ATOM 2124 N MET A 138 -7.081 7.407 -4.207 1.00 51.14 N ATOM 2125 CA MET A 138 -7.998 7.093 -5.302 1.00 52.42 C ATOM 2126 C MET A 138 -7.315 7.351 -6.642 1.00 63.11 C ATOM 2127 O MET A 138 -7.601 6.696 -7.641 1.00 23.22 O ATOM 2128 CB MET A 138 -9.270 7.946 -5.205 1.00 63.35 C ATOM 2129 CG MET A 138 -10.059 7.770 -3.913 1.00 33.34 C ATOM 2130 SD MET A 138 -11.189 6.361 -3.940 1.00 70.31 S ATOM 2131 CE MET A 138 -10.051 4.982 -3.981 1.00 0.44 C ATOM 0 H MET A 138 -7.363 8.207 -3.641 1.00 51.14 H new ATOM 0 HA MET A 138 -8.273 6.041 -5.228 1.00 52.42 H new ATOM 0 HB2 MET A 138 -8.995 8.996 -5.307 1.00 63.35 H new ATOM 0 HB3 MET A 138 -9.919 7.703 -6.047 1.00 63.35 H new ATOM 0 HG2 MET A 138 -9.361 7.649 -3.085 1.00 33.34 H new ATOM 0 HG3 MET A 138 -10.629 8.678 -3.719 1.00 33.34 H new ATOM 0 HE1 MET A 138 -10.503 4.123 -3.485 1.00 0.44 H new ATOM 0 HE2 MET A 138 -9.826 4.727 -5.016 1.00 0.44 H new ATOM 0 HE3 MET A 138 -9.130 5.255 -3.466 1.00 0.44 H new ATOM 2141 N ARG A 139 -6.402 8.312 -6.642 1.00 32.11 N ATOM 2142 CA ARG A 139 -5.660 8.675 -7.840 1.00 52.20 C ATOM 2143 C ARG A 139 -4.549 7.656 -8.075 1.00 0.43 C ATOM 2144 O ARG A 139 -4.239 7.303 -9.213 1.00 4.25 O ATOM 2145 CB ARG A 139 -5.070 10.080 -7.682 1.00 74.50 C ATOM 2146 CG ARG A 139 -6.040 11.064 -7.048 1.00 1.20 C ATOM 2147 CD ARG A 139 -5.392 12.412 -6.769 1.00 4.11 C ATOM 2148 NE ARG A 139 -5.298 13.239 -7.969 1.00 74.03 N ATOM 2149 CZ ARG A 139 -5.328 14.567 -7.954 1.00 3.34 C ATOM 2150 NH1 ARG A 139 -5.429 15.218 -6.803 1.00 52.40 N ATOM 2151 NH2 ARG A 139 -5.266 15.241 -9.095 1.00 22.34 N ATOM 0 H ARG A 139 -6.156 8.859 -5.817 1.00 32.11 H new ATOM 0 HA ARG A 139 -6.331 8.675 -8.699 1.00 52.20 H new ATOM 0 HB2 ARG A 139 -4.168 10.023 -7.072 1.00 74.50 H new ATOM 0 HB3 ARG A 139 -4.770 10.454 -8.661 1.00 74.50 H new ATOM 0 HG2 ARG A 139 -6.896 11.204 -7.708 1.00 1.20 H new ATOM 0 HG3 ARG A 139 -6.421 10.646 -6.116 1.00 1.20 H new ATOM 0 HD2 ARG A 139 -5.969 12.940 -6.010 1.00 4.11 H new ATOM 0 HD3 ARG A 139 -4.394 12.255 -6.359 1.00 4.11 H new ATOM 0 HE ARG A 139 -5.204 12.770 -8.870 1.00 74.03 H new ATOM 0 HH11 ARG A 139 -5.484 14.699 -5.927 1.00 52.40 H new ATOM 0 HH12 ARG A 139 -5.452 16.238 -6.794 1.00 52.40 H new ATOM 0 HH21 ARG A 139 -5.196 14.739 -9.980 1.00 22.34 H new ATOM 0 HH22 ARG A 139 -5.289 16.261 -9.087 1.00 22.34 H new ATOM 2165 N PHE A 140 -3.976 7.179 -6.974 1.00 1.34 N ATOM 2166 CA PHE A 140 -2.928 6.162 -7.003 1.00 52.23 C ATOM 2167 C PHE A 140 -3.393 4.890 -7.713 1.00 14.30 C ATOM 2168 O PHE A 140 -2.695 4.371 -8.587 1.00 22.42 O ATOM 2169 CB PHE A 140 -2.480 5.839 -5.571 1.00 12.23 C ATOM 2170 CG PHE A 140 -1.657 4.584 -5.447 1.00 64.15 C ATOM 2171 CD1 PHE A 140 -0.340 4.550 -5.879 1.00 41.35 C ATOM 2172 CD2 PHE A 140 -2.209 3.435 -4.902 1.00 72.25 C ATOM 2173 CE1 PHE A 140 0.410 3.392 -5.764 1.00 52.44 C ATOM 2174 CE2 PHE A 140 -1.465 2.277 -4.786 1.00 43.54 C ATOM 2175 CZ PHE A 140 -0.154 2.257 -5.218 1.00 23.42 C ATOM 0 H PHE A 140 -4.225 7.487 -6.034 1.00 1.34 H new ATOM 0 HA PHE A 140 -2.085 6.562 -7.567 1.00 52.23 H new ATOM 0 HB2 PHE A 140 -1.901 6.679 -5.186 1.00 12.23 H new ATOM 0 HB3 PHE A 140 -3.363 5.744 -4.939 1.00 12.23 H new ATOM 0 HD1 PHE A 140 0.105 5.435 -6.309 1.00 41.35 H new ATOM 0 HD2 PHE A 140 -3.235 3.445 -4.564 1.00 72.25 H new ATOM 0 HE1 PHE A 140 1.436 3.377 -6.101 1.00 52.44 H new ATOM 0 HE2 PHE A 140 -1.908 1.390 -4.358 1.00 43.54 H new ATOM 0 HZ PHE A 140 0.430 1.353 -5.129 1.00 23.42 H new ATOM 2185 N LYS A 141 -4.568 4.387 -7.336 1.00 71.42 N ATOM 2186 CA LYS A 141 -5.086 3.157 -7.929 1.00 50.21 C ATOM 2187 C LYS A 141 -5.261 3.330 -9.435 1.00 12.23 C ATOM 2188 O LYS A 141 -4.969 2.426 -10.211 1.00 43.34 O ATOM 2189 CB LYS A 141 -6.428 2.758 -7.295 1.00 5.44 C ATOM 2190 CG LYS A 141 -7.597 3.600 -7.778 1.00 3.10 C ATOM 2191 CD LYS A 141 -8.902 3.236 -7.095 1.00 72.24 C ATOM 2192 CE LYS A 141 -9.404 1.868 -7.521 1.00 33.13 C ATOM 2193 NZ LYS A 141 -9.664 1.787 -8.989 1.00 13.24 N ATOM 0 H LYS A 141 -5.173 4.807 -6.630 1.00 71.42 H new ATOM 0 HA LYS A 141 -4.364 2.363 -7.737 1.00 50.21 H new ATOM 0 HB2 LYS A 141 -6.629 1.710 -7.516 1.00 5.44 H new ATOM 0 HB3 LYS A 141 -6.350 2.846 -6.211 1.00 5.44 H new ATOM 0 HG2 LYS A 141 -7.379 4.653 -7.599 1.00 3.10 H new ATOM 0 HG3 LYS A 141 -7.708 3.476 -8.855 1.00 3.10 H new ATOM 0 HD2 LYS A 141 -8.762 3.250 -6.014 1.00 72.24 H new ATOM 0 HD3 LYS A 141 -9.656 3.988 -7.329 1.00 72.24 H new ATOM 0 HE2 LYS A 141 -8.670 1.112 -7.243 1.00 33.13 H new ATOM 0 HE3 LYS A 141 -10.321 1.636 -6.979 1.00 33.13 H new ATOM 0 HZ1 LYS A 141 -10.356 1.034 -9.178 1.00 13.24 H new ATOM 0 HZ2 LYS A 141 -10.041 2.696 -9.326 1.00 13.24 H new ATOM 0 HZ3 LYS A 141 -8.776 1.574 -9.488 1.00 13.24 H new ATOM 2207 N ARG A 142 -5.709 4.517 -9.831 1.00 32.43 N ATOM 2208 CA ARG A 142 -6.004 4.801 -11.225 1.00 73.22 C ATOM 2209 C ARG A 142 -4.741 4.723 -12.072 1.00 25.03 C ATOM 2210 O ARG A 142 -4.747 4.126 -13.143 1.00 12.14 O ATOM 2211 CB ARG A 142 -6.673 6.171 -11.351 1.00 32.43 C ATOM 2212 CG ARG A 142 -7.006 6.568 -12.780 1.00 13.23 C ATOM 2213 CD ARG A 142 -7.987 7.728 -12.819 1.00 22.41 C ATOM 2214 NE ARG A 142 -7.506 8.896 -12.083 1.00 3.12 N ATOM 2215 CZ ARG A 142 -8.286 9.666 -11.321 1.00 70.05 C ATOM 2216 NH1 ARG A 142 -9.568 9.363 -11.165 1.00 62.34 N ATOM 2217 NH2 ARG A 142 -7.782 10.730 -10.710 1.00 52.43 N ATOM 0 H ARG A 142 -5.876 5.300 -9.199 1.00 32.43 H new ATOM 0 HA ARG A 142 -6.696 4.046 -11.598 1.00 73.22 H new ATOM 0 HB2 ARG A 142 -7.590 6.172 -10.762 1.00 32.43 H new ATOM 0 HB3 ARG A 142 -6.016 6.926 -10.919 1.00 32.43 H new ATOM 0 HG2 ARG A 142 -6.092 6.845 -13.305 1.00 13.23 H new ATOM 0 HG3 ARG A 142 -7.430 5.713 -13.307 1.00 13.23 H new ATOM 0 HD2 ARG A 142 -8.172 8.008 -13.856 1.00 22.41 H new ATOM 0 HD3 ARG A 142 -8.941 7.407 -12.400 1.00 22.41 H new ATOM 0 HE ARG A 142 -6.517 9.136 -12.156 1.00 3.12 H new ATOM 0 HH11 ARG A 142 -9.958 8.542 -11.627 1.00 62.34 H new ATOM 0 HH12 ARG A 142 -10.164 9.951 -10.583 1.00 62.34 H new ATOM 0 HH21 ARG A 142 -6.795 10.962 -10.822 1.00 52.43 H new ATOM 0 HH22 ARG A 142 -8.381 11.316 -10.129 1.00 52.43 H new ATOM 2231 N GLU A 143 -3.657 5.298 -11.573 1.00 64.02 N ATOM 2232 CA GLU A 143 -2.376 5.242 -12.268 1.00 71.40 C ATOM 2233 C GLU A 143 -1.860 3.806 -12.332 1.00 44.23 C ATOM 2234 O GLU A 143 -1.175 3.420 -13.282 1.00 1.23 O ATOM 2235 CB GLU A 143 -1.357 6.143 -11.573 1.00 71.35 C ATOM 2236 CG GLU A 143 -1.706 7.618 -11.655 1.00 65.01 C ATOM 2237 CD GLU A 143 -0.742 8.485 -10.874 1.00 1.24 C ATOM 2238 OE1 GLU A 143 0.352 8.790 -11.399 1.00 61.15 O ATOM 2239 OE2 GLU A 143 -1.074 8.871 -9.737 1.00 43.44 O ATOM 0 H GLU A 143 -3.637 5.809 -10.690 1.00 64.02 H new ATOM 0 HA GLU A 143 -2.521 5.600 -13.287 1.00 71.40 H new ATOM 0 HB2 GLU A 143 -1.280 5.852 -10.525 1.00 71.35 H new ATOM 0 HB3 GLU A 143 -0.376 5.983 -12.021 1.00 71.35 H new ATOM 0 HG2 GLU A 143 -1.707 7.931 -12.699 1.00 65.01 H new ATOM 0 HG3 GLU A 143 -2.716 7.771 -11.276 1.00 65.01 H new ATOM 2246 N GLN A 144 -2.209 3.013 -11.324 1.00 55.12 N ATOM 2247 CA GLN A 144 -1.810 1.615 -11.284 1.00 61.11 C ATOM 2248 C GLN A 144 -2.459 0.829 -12.413 1.00 51.43 C ATOM 2249 O GLN A 144 -1.791 0.068 -13.112 1.00 73.23 O ATOM 2250 CB GLN A 144 -2.167 0.975 -9.944 1.00 14.35 C ATOM 2251 CG GLN A 144 -0.955 0.574 -9.134 1.00 64.33 C ATOM 2252 CD GLN A 144 -1.228 -0.592 -8.210 1.00 40.43 C ATOM 2253 OE1 GLN A 144 -1.059 -1.748 -8.599 1.00 2.54 O ATOM 2254 NE2 GLN A 144 -1.643 -0.304 -6.988 1.00 31.30 N ATOM 0 H GLN A 144 -2.767 3.316 -10.526 1.00 55.12 H new ATOM 0 HA GLN A 144 -0.728 1.586 -11.409 1.00 61.11 H new ATOM 0 HB2 GLN A 144 -2.769 1.674 -9.364 1.00 14.35 H new ATOM 0 HB3 GLN A 144 -2.784 0.095 -10.122 1.00 14.35 H new ATOM 0 HG2 GLN A 144 -0.141 0.313 -9.811 1.00 64.33 H new ATOM 0 HG3 GLN A 144 -0.618 1.427 -8.545 1.00 64.33 H new ATOM 0 HE21 GLN A 144 -1.769 0.669 -6.708 1.00 31.30 H new ATOM 0 HE22 GLN A 144 -1.837 -1.055 -6.325 1.00 31.30 H new ATOM 2263 N GLU A 145 -3.762 1.019 -12.593 1.00 54.21 N ATOM 2264 CA GLU A 145 -4.499 0.298 -13.625 1.00 73.02 C ATOM 2265 C GLU A 145 -4.300 0.945 -14.996 1.00 64.40 C ATOM 2266 O GLU A 145 -4.690 0.384 -16.024 1.00 2.34 O ATOM 2267 CB GLU A 145 -5.986 0.186 -13.249 1.00 14.02 C ATOM 2268 CG GLU A 145 -6.620 1.494 -12.803 1.00 22.44 C ATOM 2269 CD GLU A 145 -7.926 1.288 -12.056 1.00 23.10 C ATOM 2270 OE1 GLU A 145 -7.889 1.092 -10.822 1.00 51.53 O ATOM 2271 OE2 GLU A 145 -8.997 1.340 -12.697 1.00 64.04 O ATOM 0 H GLU A 145 -4.328 1.663 -12.040 1.00 54.21 H new ATOM 0 HA GLU A 145 -4.101 -0.715 -13.691 1.00 73.02 H new ATOM 0 HB2 GLU A 145 -6.538 -0.197 -14.107 1.00 14.02 H new ATOM 0 HB3 GLU A 145 -6.092 -0.547 -12.449 1.00 14.02 H new ATOM 0 HG2 GLU A 145 -5.921 2.032 -12.163 1.00 22.44 H new ATOM 0 HG3 GLU A 145 -6.801 2.122 -13.676 1.00 22.44 H new ATOM 2278 N LEU A 146 -3.680 2.122 -15.006 1.00 70.04 N ATOM 2279 CA LEU A 146 -3.249 2.748 -16.249 1.00 44.52 C ATOM 2280 C LEU A 146 -2.034 2.011 -16.802 1.00 23.11 C ATOM 2281 O LEU A 146 -1.931 1.775 -18.006 1.00 20.50 O ATOM 2282 CB LEU A 146 -2.911 4.229 -16.034 1.00 21.23 C ATOM 2283 CG LEU A 146 -4.107 5.153 -15.794 1.00 64.22 C ATOM 2284 CD1 LEU A 146 -3.638 6.587 -15.599 1.00 14.51 C ATOM 2285 CD2 LEU A 146 -5.094 5.061 -16.947 1.00 70.10 C ATOM 0 H LEU A 146 -3.466 2.660 -14.166 1.00 70.04 H new ATOM 0 HA LEU A 146 -4.068 2.689 -16.965 1.00 44.52 H new ATOM 0 HB2 LEU A 146 -2.236 4.309 -15.182 1.00 21.23 H new ATOM 0 HB3 LEU A 146 -2.366 4.589 -16.907 1.00 21.23 H new ATOM 0 HG LEU A 146 -4.616 4.832 -14.885 1.00 64.22 H new ATOM 0 HD11 LEU A 146 -4.500 7.232 -15.429 1.00 14.51 H new ATOM 0 HD12 LEU A 146 -2.972 6.638 -14.738 1.00 14.51 H new ATOM 0 HD13 LEU A 146 -3.106 6.920 -16.490 1.00 14.51 H new ATOM 0 HD21 LEU A 146 -5.937 5.725 -16.758 1.00 70.10 H new ATOM 0 HD22 LEU A 146 -4.600 5.356 -17.873 1.00 70.10 H new ATOM 0 HD23 LEU A 146 -5.453 4.036 -17.038 1.00 70.10 H new ATOM 2297 N GLY A 147 -1.121 1.640 -15.913 1.00 64.22 N ATOM 2298 CA GLY A 147 0.046 0.878 -16.313 1.00 62.03 C ATOM 2299 C GLY A 147 1.226 1.758 -16.664 1.00 12.34 C ATOM 2300 O GLY A 147 1.058 2.886 -17.135 1.00 15.02 O ATOM 0 H GLY A 147 -1.169 1.855 -14.917 1.00 64.22 H new ATOM 0 HA2 GLY A 147 0.329 0.203 -15.505 1.00 62.03 H new ATOM 0 HA3 GLY A 147 -0.207 0.257 -17.172 1.00 62.03 H new