USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 39:sc= 0.206 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.913 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.04) USER MOD Single : A 41 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-4.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 94:sc= 0.0261 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.155) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -21:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 10.111 -7.164 -5.612 1.00 40.10 N ATOM 60 CA THR A 5 8.738 -6.677 -5.678 1.00 12.30 C ATOM 61 C THR A 5 8.183 -6.425 -4.280 1.00 32.40 C ATOM 62 O THR A 5 7.360 -5.532 -4.080 1.00 50.30 O ATOM 63 CB THR A 5 7.854 -7.682 -6.418 1.00 54.10 C ATOM 64 OG1 THR A 5 8.437 -8.045 -7.657 1.00 51.10 O ATOM 65 CG2 THR A 5 6.462 -7.160 -6.701 1.00 11.00 C ATOM 0 HA THR A 5 8.738 -5.734 -6.224 1.00 12.30 H new ATOM 0 HB THR A 5 7.774 -8.541 -5.752 1.00 54.10 H new ATOM 0 HG1 THR A 5 9.408 -8.124 -7.551 1.00 51.10 H new ATOM 0 HG21 THR A 5 5.888 -7.922 -7.228 1.00 11.00 H new ATOM 0 HG22 THR A 5 5.966 -6.917 -5.761 1.00 11.00 H new ATOM 0 HG23 THR A 5 6.528 -6.264 -7.318 1.00 11.00 H new ATOM 73 N LEU A 6 8.638 -7.218 -3.316 1.00 35.30 N ATOM 74 CA LEU A 6 8.188 -7.081 -1.937 1.00 24.40 C ATOM 75 C LEU A 6 8.804 -5.849 -1.282 1.00 24.30 C ATOM 76 O LEU A 6 8.131 -5.117 -0.555 1.00 10.30 O ATOM 77 CB LEU A 6 8.546 -8.334 -1.133 1.00 44.30 C ATOM 78 CG LEU A 6 7.457 -9.406 -1.088 1.00 72.10 C ATOM 79 CD1 LEU A 6 6.246 -8.905 -0.317 1.00 52.10 C ATOM 80 CD2 LEU A 6 7.060 -9.823 -2.496 1.00 23.00 C ATOM 0 H LEU A 6 9.319 -7.963 -3.465 1.00 35.30 H new ATOM 0 HA LEU A 6 7.105 -6.961 -1.946 1.00 24.40 H new ATOM 0 HB2 LEU A 6 9.450 -8.773 -1.556 1.00 44.30 H new ATOM 0 HB3 LEU A 6 8.784 -8.036 -0.112 1.00 44.30 H new ATOM 0 HG LEU A 6 7.855 -10.279 -0.571 1.00 72.10 H new ATOM 0 HD11 LEU A 6 5.481 -9.682 -0.296 1.00 52.10 H new ATOM 0 HD12 LEU A 6 6.541 -8.658 0.703 1.00 52.10 H new ATOM 0 HD13 LEU A 6 5.846 -8.016 -0.805 1.00 52.10 H new ATOM 0 HD21 LEU A 6 6.284 -10.587 -2.444 1.00 23.00 H new ATOM 0 HD22 LEU A 6 6.681 -8.957 -3.039 1.00 23.00 H new ATOM 0 HD23 LEU A 6 7.930 -10.225 -3.015 1.00 23.00 H new ATOM 92 N GLN A 7 10.087 -5.624 -1.545 1.00 60.40 N ATOM 93 CA GLN A 7 10.794 -4.480 -0.981 1.00 61.10 C ATOM 94 C GLN A 7 10.239 -3.169 -1.530 1.00 2.50 C ATOM 95 O GLN A 7 10.248 -2.146 -0.847 1.00 71.20 O ATOM 96 CB GLN A 7 12.291 -4.581 -1.283 1.00 52.10 C ATOM 97 CG GLN A 7 13.175 -4.124 -0.134 1.00 72.20 C ATOM 98 CD GLN A 7 13.708 -2.719 -0.332 1.00 44.30 C ATOM 99 OE1 GLN A 7 14.487 -2.462 -1.251 1.00 13.40 O ATOM 100 NE2 GLN A 7 13.290 -1.799 0.530 1.00 3.42 N ATOM 0 H GLN A 7 10.658 -6.219 -2.145 1.00 60.40 H new ATOM 0 HA GLN A 7 10.646 -4.490 0.099 1.00 61.10 H new ATOM 0 HB2 GLN A 7 12.535 -5.614 -1.529 1.00 52.10 H new ATOM 0 HB3 GLN A 7 12.517 -3.981 -2.165 1.00 52.10 H new ATOM 0 HG2 GLN A 7 12.607 -4.166 0.795 1.00 72.20 H new ATOM 0 HG3 GLN A 7 14.012 -4.814 -0.027 1.00 72.20 H new ATOM 0 HE21 GLN A 7 12.644 -2.056 1.277 1.00 3.42 H new ATOM 0 HE22 GLN A 7 13.615 -0.836 0.445 1.00 3.42 H new ATOM 109 N LYS A 8 9.759 -3.209 -2.769 1.00 71.30 N ATOM 110 CA LYS A 8 9.201 -2.024 -3.409 1.00 40.50 C ATOM 111 C LYS A 8 7.861 -1.645 -2.784 1.00 33.40 C ATOM 112 O LYS A 8 7.547 -0.465 -2.633 1.00 33.20 O ATOM 113 CB LYS A 8 9.028 -2.264 -4.911 1.00 53.10 C ATOM 114 CG LYS A 8 10.168 -1.713 -5.751 1.00 71.40 C ATOM 115 CD LYS A 8 9.979 -2.035 -7.225 1.00 70.20 C ATOM 116 CE LYS A 8 10.672 -1.012 -8.111 1.00 24.50 C ATOM 117 NZ LYS A 8 9.732 0.043 -8.581 1.00 52.40 N ATOM 0 H LYS A 8 9.745 -4.048 -3.349 1.00 71.30 H new ATOM 0 HA LYS A 8 9.897 -1.199 -3.257 1.00 40.50 H new ATOM 0 HB2 LYS A 8 8.940 -3.335 -5.091 1.00 53.10 H new ATOM 0 HB3 LYS A 8 8.094 -1.808 -5.238 1.00 53.10 H new ATOM 0 HG2 LYS A 8 10.230 -0.633 -5.618 1.00 71.40 H new ATOM 0 HG3 LYS A 8 11.113 -2.132 -5.404 1.00 71.40 H new ATOM 0 HD2 LYS A 8 10.375 -3.028 -7.435 1.00 70.20 H new ATOM 0 HD3 LYS A 8 8.915 -2.060 -7.460 1.00 70.20 H new ATOM 0 HE2 LYS A 8 11.491 -0.549 -7.560 1.00 24.50 H new ATOM 0 HE3 LYS A 8 11.112 -1.516 -8.972 1.00 24.50 H new ATOM 0 HZ1 LYS A 8 10.243 0.721 -9.182 1.00 52.40 H new ATOM 0 HZ2 LYS A 8 8.964 -0.395 -9.129 1.00 52.40 H new ATOM 0 HZ3 LYS A 8 9.331 0.541 -7.761 1.00 52.40 H new ATOM 131 N ALA A 9 7.076 -2.655 -2.424 1.00 5.10 N ATOM 132 CA ALA A 9 5.770 -2.428 -1.815 1.00 40.30 C ATOM 133 C ALA A 9 5.909 -1.821 -0.424 1.00 53.40 C ATOM 134 O ALA A 9 5.082 -1.012 -0.003 1.00 40.40 O ATOM 135 CB ALA A 9 4.987 -3.730 -1.749 1.00 30.40 C ATOM 0 H ALA A 9 7.321 -3.638 -2.543 1.00 5.10 H new ATOM 0 HA ALA A 9 5.225 -1.719 -2.438 1.00 40.30 H new ATOM 0 HB1 ALA A 9 4.014 -3.547 -1.292 1.00 30.40 H new ATOM 0 HB2 ALA A 9 4.847 -4.122 -2.756 1.00 30.40 H new ATOM 0 HB3 ALA A 9 5.538 -4.456 -1.151 1.00 30.40 H new ATOM 141 N ILE A 10 6.959 -2.217 0.288 1.00 35.00 N ATOM 142 CA ILE A 10 7.207 -1.712 1.633 1.00 3.22 C ATOM 143 C ILE A 10 7.677 -0.262 1.598 1.00 61.30 C ATOM 144 O ILE A 10 7.425 0.506 2.527 1.00 10.10 O ATOM 145 CB ILE A 10 8.259 -2.566 2.369 1.00 31.50 C ATOM 146 CG1 ILE A 10 7.892 -4.049 2.291 1.00 32.50 C ATOM 147 CG2 ILE A 10 8.383 -2.122 3.819 1.00 40.30 C ATOM 148 CD1 ILE A 10 9.090 -4.972 2.354 1.00 33.10 C ATOM 0 H ILE A 10 7.652 -2.887 -0.045 1.00 35.00 H new ATOM 0 HA ILE A 10 6.262 -1.771 2.172 1.00 3.22 H new ATOM 0 HB ILE A 10 9.224 -2.424 1.882 1.00 31.50 H new ATOM 0 HG12 ILE A 10 7.214 -4.291 3.109 1.00 32.50 H new ATOM 0 HG13 ILE A 10 7.350 -4.233 1.363 1.00 32.50 H new ATOM 0 HG21 ILE A 10 9.129 -2.735 4.325 1.00 40.30 H new ATOM 0 HG22 ILE A 10 8.688 -1.076 3.854 1.00 40.30 H new ATOM 0 HG23 ILE A 10 7.421 -2.237 4.318 1.00 40.30 H new ATOM 0 HD11 ILE A 10 8.755 -6.008 2.293 1.00 33.10 H new ATOM 0 HD12 ILE A 10 9.759 -4.758 1.520 1.00 33.10 H new ATOM 0 HD13 ILE A 10 9.620 -4.817 3.294 1.00 33.10 H new ATOM 160 N ASP A 11 8.365 0.107 0.522 1.00 34.10 N ATOM 161 CA ASP A 11 8.873 1.464 0.367 1.00 71.30 C ATOM 162 C ASP A 11 7.730 2.455 0.156 1.00 20.30 C ATOM 163 O ASP A 11 7.821 3.617 0.552 1.00 21.10 O ATOM 164 CB ASP A 11 9.850 1.534 -0.810 1.00 3.25 C ATOM 165 CG ASP A 11 11.109 2.305 -0.469 1.00 21.40 C ATOM 166 OD1 ASP A 11 11.123 3.538 -0.669 1.00 31.40 O ATOM 167 OD2 ASP A 11 12.082 1.677 -0.002 1.00 41.10 O ATOM 0 H ASP A 11 8.583 -0.516 -0.256 1.00 34.10 H new ATOM 0 HA ASP A 11 9.398 1.735 1.283 1.00 71.30 H new ATOM 0 HB2 ASP A 11 10.118 0.523 -1.117 1.00 3.25 H new ATOM 0 HB3 ASP A 11 9.357 2.005 -1.660 1.00 3.25 H new ATOM 172 N LEU A 12 6.656 1.987 -0.472 1.00 74.20 N ATOM 173 CA LEU A 12 5.497 2.833 -0.737 1.00 61.20 C ATOM 174 C LEU A 12 4.730 3.126 0.550 1.00 30.50 C ATOM 175 O LEU A 12 4.225 4.231 0.744 1.00 34.20 O ATOM 176 CB LEU A 12 4.573 2.161 -1.755 1.00 34.30 C ATOM 177 CG LEU A 12 4.848 2.521 -3.215 1.00 33.10 C ATOM 178 CD1 LEU A 12 4.576 3.997 -3.462 1.00 34.20 C ATOM 179 CD2 LEU A 12 6.280 2.170 -3.590 1.00 63.10 C ATOM 0 H LEU A 12 6.564 1.028 -0.807 1.00 74.20 H new ATOM 0 HA LEU A 12 5.853 3.778 -1.148 1.00 61.20 H new ATOM 0 HB2 LEU A 12 4.657 1.080 -1.641 1.00 34.30 H new ATOM 0 HB3 LEU A 12 3.543 2.427 -1.519 1.00 34.30 H new ATOM 0 HG LEU A 12 4.176 1.939 -3.845 1.00 33.10 H new ATOM 0 HD11 LEU A 12 4.777 4.234 -4.507 1.00 34.20 H new ATOM 0 HD12 LEU A 12 3.533 4.218 -3.234 1.00 34.20 H new ATOM 0 HD13 LEU A 12 5.222 4.598 -2.822 1.00 34.20 H new ATOM 0 HD21 LEU A 12 6.458 2.433 -4.633 1.00 63.10 H new ATOM 0 HD22 LEU A 12 6.969 2.724 -2.953 1.00 63.10 H new ATOM 0 HD23 LEU A 12 6.440 1.101 -3.453 1.00 63.10 H new ATOM 191 N VAL A 13 4.646 2.129 1.423 1.00 53.20 N ATOM 192 CA VAL A 13 3.940 2.279 2.689 1.00 71.00 C ATOM 193 C VAL A 13 4.682 3.228 3.625 1.00 72.40 C ATOM 194 O VAL A 13 4.070 3.904 4.451 1.00 43.40 O ATOM 195 CB VAL A 13 3.754 0.922 3.395 1.00 24.20 C ATOM 196 CG1 VAL A 13 2.881 1.075 4.631 1.00 62.50 C ATOM 197 CG2 VAL A 13 3.160 -0.102 2.438 1.00 24.40 C ATOM 0 H VAL A 13 5.058 1.208 1.277 1.00 53.20 H new ATOM 0 HA VAL A 13 2.960 2.696 2.455 1.00 71.00 H new ATOM 0 HB VAL A 13 4.733 0.564 3.713 1.00 24.20 H new ATOM 0 HG11 VAL A 13 2.762 0.105 5.115 1.00 62.50 H new ATOM 0 HG12 VAL A 13 3.352 1.772 5.325 1.00 62.50 H new ATOM 0 HG13 VAL A 13 1.903 1.458 4.340 1.00 62.50 H new ATOM 0 HG21 VAL A 13 3.036 -1.054 2.955 1.00 24.40 H new ATOM 0 HG22 VAL A 13 2.190 0.249 2.086 1.00 24.40 H new ATOM 0 HG23 VAL A 13 3.828 -0.235 1.587 1.00 24.40 H new ATOM 207 N THR A 14 6.004 3.271 3.492 1.00 64.10 N ATOM 208 CA THR A 14 6.828 4.137 4.329 1.00 25.30 C ATOM 209 C THR A 14 6.628 5.603 3.960 1.00 32.10 C ATOM 210 O THR A 14 6.546 6.467 4.833 1.00 65.40 O ATOM 211 CB THR A 14 8.303 3.760 4.189 1.00 52.50 C ATOM 212 OG1 THR A 14 8.472 2.356 4.270 1.00 2.52 O ATOM 213 CG2 THR A 14 9.186 4.390 5.245 1.00 0.43 C ATOM 0 H THR A 14 6.527 2.717 2.814 1.00 64.10 H new ATOM 0 HA THR A 14 6.521 3.998 5.366 1.00 25.30 H new ATOM 0 HB THR A 14 8.605 4.139 3.213 1.00 52.50 H new ATOM 0 HG1 THR A 14 8.136 1.938 3.450 1.00 2.52 H new ATOM 0 HG21 THR A 14 10.219 4.081 5.087 1.00 0.43 H new ATOM 0 HG22 THR A 14 9.117 5.476 5.176 1.00 0.43 H new ATOM 0 HG23 THR A 14 8.858 4.068 6.233 1.00 0.43 H new ATOM 221 N LYS A 15 6.552 5.877 2.662 1.00 43.30 N ATOM 222 CA LYS A 15 6.363 7.241 2.178 1.00 73.20 C ATOM 223 C LYS A 15 4.936 7.717 2.433 1.00 52.10 C ATOM 224 O LYS A 15 4.694 8.910 2.623 1.00 32.40 O ATOM 225 CB LYS A 15 6.684 7.323 0.684 1.00 45.40 C ATOM 226 CG LYS A 15 8.061 7.895 0.388 1.00 12.50 C ATOM 227 CD LYS A 15 9.086 6.795 0.168 1.00 34.20 C ATOM 228 CE LYS A 15 10.478 7.366 -0.049 1.00 13.20 C ATOM 229 NZ LYS A 15 11.118 7.774 1.232 1.00 25.40 N ATOM 0 H LYS A 15 6.618 5.174 1.926 1.00 43.30 H new ATOM 0 HA LYS A 15 7.045 7.892 2.725 1.00 73.20 H new ATOM 0 HB2 LYS A 15 6.613 6.325 0.250 1.00 45.40 H new ATOM 0 HB3 LYS A 15 5.931 7.938 0.192 1.00 45.40 H new ATOM 0 HG2 LYS A 15 8.010 8.529 -0.497 1.00 12.50 H new ATOM 0 HG3 LYS A 15 8.378 8.529 1.216 1.00 12.50 H new ATOM 0 HD2 LYS A 15 9.096 6.128 1.030 1.00 34.20 H new ATOM 0 HD3 LYS A 15 8.799 6.196 -0.696 1.00 34.20 H new ATOM 0 HE2 LYS A 15 11.102 6.623 -0.546 1.00 13.20 H new ATOM 0 HE3 LYS A 15 10.417 8.227 -0.715 1.00 13.20 H new ATOM 0 HZ1 LYS A 15 12.065 8.158 1.040 1.00 25.40 H new ATOM 0 HZ2 LYS A 15 10.537 8.502 1.694 1.00 25.40 H new ATOM 0 HZ3 LYS A 15 11.200 6.947 1.858 1.00 25.40 H new ATOM 243 N ALA A 16 3.994 6.780 2.433 1.00 21.20 N ATOM 244 CA ALA A 16 2.592 7.107 2.661 1.00 0.04 C ATOM 245 C ALA A 16 2.342 7.478 4.119 1.00 43.40 C ATOM 246 O ALA A 16 1.708 8.492 4.412 1.00 4.24 O ATOM 247 CB ALA A 16 1.707 5.938 2.253 1.00 23.30 C ATOM 0 H ALA A 16 4.176 5.788 2.278 1.00 21.20 H new ATOM 0 HA ALA A 16 2.342 7.972 2.047 1.00 0.04 H new ATOM 0 HB1 ALA A 16 0.662 6.194 2.428 1.00 23.30 H new ATOM 0 HB2 ALA A 16 1.855 5.721 1.195 1.00 23.30 H new ATOM 0 HB3 ALA A 16 1.969 5.060 2.843 1.00 23.30 H new ATOM 253 N THR A 17 2.840 6.648 5.029 1.00 42.40 N ATOM 254 CA THR A 17 2.667 6.889 6.459 1.00 4.52 C ATOM 255 C THR A 17 3.272 8.229 6.865 1.00 72.30 C ATOM 256 O THR A 17 2.648 9.009 7.585 1.00 62.20 O ATOM 257 CB THR A 17 3.311 5.761 7.267 1.00 23.10 C ATOM 258 OG1 THR A 17 3.185 6.005 8.656 1.00 31.50 O ATOM 259 CG2 THR A 17 4.781 5.572 6.967 1.00 52.40 C ATOM 0 H THR A 17 3.366 5.804 4.804 1.00 42.40 H new ATOM 0 HA THR A 17 1.598 6.916 6.670 1.00 4.52 H new ATOM 0 HB THR A 17 2.778 4.856 6.974 1.00 23.10 H new ATOM 0 HG1 THR A 17 3.601 5.272 9.156 1.00 31.50 H new ATOM 0 HG21 THR A 17 5.174 4.757 7.574 1.00 52.40 H new ATOM 0 HG22 THR A 17 4.909 5.333 5.911 1.00 52.40 H new ATOM 0 HG23 THR A 17 5.321 6.490 7.199 1.00 52.40 H new ATOM 267 N GLU A 18 4.489 8.490 6.400 1.00 0.35 N ATOM 268 CA GLU A 18 5.178 9.736 6.718 1.00 61.30 C ATOM 269 C GLU A 18 4.457 10.930 6.099 1.00 10.20 C ATOM 270 O GLU A 18 4.435 12.020 6.673 1.00 32.20 O ATOM 271 CB GLU A 18 6.623 9.685 6.221 1.00 35.20 C ATOM 272 CG GLU A 18 6.744 9.564 4.711 1.00 51.40 C ATOM 273 CD GLU A 18 8.184 9.490 4.245 1.00 42.40 C ATOM 274 OE1 GLU A 18 8.852 8.477 4.540 1.00 12.30 O ATOM 275 OE2 GLU A 18 8.644 10.446 3.584 1.00 64.50 O ATOM 0 H GLU A 18 5.019 7.856 5.802 1.00 0.35 H new ATOM 0 HA GLU A 18 5.178 9.856 7.801 1.00 61.30 H new ATOM 0 HB2 GLU A 18 7.143 10.586 6.548 1.00 35.20 H new ATOM 0 HB3 GLU A 18 7.129 8.839 6.686 1.00 35.20 H new ATOM 0 HG2 GLU A 18 6.212 8.673 4.378 1.00 51.40 H new ATOM 0 HG3 GLU A 18 6.258 10.419 4.242 1.00 51.40 H new ATOM 282 N GLU A 19 3.871 10.720 4.926 1.00 73.20 N ATOM 283 CA GLU A 19 3.152 11.780 4.229 1.00 1.44 C ATOM 284 C GLU A 19 1.896 12.182 4.997 1.00 64.30 C ATOM 285 O GLU A 19 1.616 13.369 5.172 1.00 52.10 O ATOM 286 CB GLU A 19 2.780 11.328 2.815 1.00 21.30 C ATOM 287 CG GLU A 19 3.629 11.970 1.730 1.00 24.20 C ATOM 288 CD GLU A 19 4.140 10.964 0.717 1.00 50.10 C ATOM 289 OE1 GLU A 19 3.314 10.208 0.163 1.00 1.14 O ATOM 290 OE2 GLU A 19 5.365 10.933 0.477 1.00 14.40 O ATOM 0 H GLU A 19 3.880 9.825 4.437 1.00 73.20 H new ATOM 0 HA GLU A 19 3.808 12.648 4.163 1.00 1.44 H new ATOM 0 HB2 GLU A 19 2.880 10.245 2.750 1.00 21.30 H new ATOM 0 HB3 GLU A 19 1.732 11.563 2.631 1.00 21.30 H new ATOM 0 HG2 GLU A 19 3.041 12.731 1.216 1.00 24.20 H new ATOM 0 HG3 GLU A 19 4.476 12.479 2.190 1.00 24.20 H new ATOM 297 N ASP A 20 1.142 11.187 5.454 1.00 51.50 N ATOM 298 CA ASP A 20 -0.085 11.436 6.203 1.00 12.30 C ATOM 299 C ASP A 20 0.179 12.342 7.404 1.00 14.10 C ATOM 300 O ASP A 20 -0.695 13.101 7.825 1.00 2.31 O ATOM 301 CB ASP A 20 -0.697 10.115 6.673 1.00 51.30 C ATOM 302 CG ASP A 20 -2.214 10.125 6.618 1.00 11.20 C ATOM 303 OD1 ASP A 20 -2.789 11.181 6.279 1.00 73.10 O ATOM 304 OD2 ASP A 20 -2.825 9.076 6.913 1.00 22.30 O ATOM 0 H ASP A 20 1.359 10.200 5.319 1.00 51.50 H new ATOM 0 HA ASP A 20 -0.787 11.940 5.539 1.00 12.30 H new ATOM 0 HB2 ASP A 20 -0.320 9.302 6.052 1.00 51.30 H new ATOM 0 HB3 ASP A 20 -0.375 9.912 7.694 1.00 51.30 H new ATOM 309 N LYS A 21 1.387 12.257 7.948 1.00 41.40 N ATOM 310 CA LYS A 21 1.766 13.070 9.099 1.00 42.00 C ATOM 311 C LYS A 21 2.023 14.516 8.685 1.00 4.21 C ATOM 312 O LYS A 21 1.862 15.438 9.485 1.00 42.40 O ATOM 313 CB LYS A 21 3.011 12.489 9.772 1.00 43.40 C ATOM 314 CG LYS A 21 2.698 11.600 10.966 1.00 10.50 C ATOM 315 CD LYS A 21 3.349 10.232 10.832 1.00 61.00 C ATOM 316 CE LYS A 21 2.673 9.205 11.727 1.00 11.30 C ATOM 317 NZ LYS A 21 3.245 9.204 13.102 1.00 41.50 N ATOM 0 H LYS A 21 2.121 11.634 7.611 1.00 41.40 H new ATOM 0 HA LYS A 21 0.939 13.058 9.809 1.00 42.00 H new ATOM 0 HB2 LYS A 21 3.575 11.913 9.038 1.00 43.40 H new ATOM 0 HB3 LYS A 21 3.654 13.307 10.097 1.00 43.40 H new ATOM 0 HG2 LYS A 21 3.046 12.081 11.880 1.00 10.50 H new ATOM 0 HG3 LYS A 21 1.618 11.482 11.059 1.00 10.50 H new ATOM 0 HD2 LYS A 21 3.297 9.903 9.794 1.00 61.00 H new ATOM 0 HD3 LYS A 21 4.405 10.303 11.091 1.00 61.00 H new ATOM 0 HE2 LYS A 21 1.605 9.415 11.778 1.00 11.30 H new ATOM 0 HE3 LYS A 21 2.782 8.213 11.288 1.00 11.30 H new ATOM 0 HZ1 LYS A 21 2.757 8.490 13.680 1.00 41.50 H new ATOM 0 HZ2 LYS A 21 4.259 8.978 13.056 1.00 41.50 H new ATOM 0 HZ3 LYS A 21 3.119 10.143 13.531 1.00 41.50 H new ATOM 331 N ALA A 22 2.425 14.709 7.432 1.00 23.50 N ATOM 332 CA ALA A 22 2.703 16.044 6.917 1.00 65.10 C ATOM 333 C ALA A 22 1.507 16.604 6.153 1.00 54.20 C ATOM 334 O ALA A 22 1.665 17.431 5.256 1.00 41.20 O ATOM 335 CB ALA A 22 3.935 16.017 6.025 1.00 15.40 C ATOM 0 H ALA A 22 2.565 13.958 6.756 1.00 23.50 H new ATOM 0 HA ALA A 22 2.894 16.700 7.766 1.00 65.10 H new ATOM 0 HB1 ALA A 22 4.132 17.020 5.647 1.00 15.40 H new ATOM 0 HB2 ALA A 22 4.793 15.671 6.601 1.00 15.40 H new ATOM 0 HB3 ALA A 22 3.763 15.341 5.188 1.00 15.40 H new ATOM 341 N LYS A 23 0.311 16.149 6.515 1.00 44.40 N ATOM 342 CA LYS A 23 -0.911 16.608 5.863 1.00 53.10 C ATOM 343 C LYS A 23 -0.857 16.354 4.357 1.00 62.20 C ATOM 344 O LYS A 23 -1.009 17.275 3.555 1.00 62.20 O ATOM 345 CB LYS A 23 -1.129 18.097 6.136 1.00 20.10 C ATOM 346 CG LYS A 23 -2.594 18.482 6.273 1.00 0.44 C ATOM 347 CD LYS A 23 -2.803 19.490 7.392 1.00 11.00 C ATOM 348 CE LYS A 23 -4.216 20.051 7.380 1.00 65.00 C ATOM 349 NZ LYS A 23 -4.801 20.112 8.748 1.00 73.50 N ATOM 0 H LYS A 23 0.162 15.464 7.256 1.00 44.40 H new ATOM 0 HA LYS A 23 -1.747 16.044 6.275 1.00 53.10 H new ATOM 0 HB2 LYS A 23 -0.603 18.371 7.050 1.00 20.10 H new ATOM 0 HB3 LYS A 23 -0.684 18.675 5.326 1.00 20.10 H new ATOM 0 HG2 LYS A 23 -2.950 18.902 5.332 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.189 17.590 6.470 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -2.608 19.014 8.353 1.00 11.00 H new ATOM 0 HD3 LYS A 23 -2.086 20.304 7.288 1.00 11.00 H new ATOM 0 HE2 LYS A 23 -4.206 21.050 6.945 1.00 65.00 H new ATOM 0 HE3 LYS A 23 -4.847 19.432 6.743 1.00 65.00 H new ATOM 0 HZ1 LYS A 23 -5.765 20.500 8.697 1.00 73.50 H new ATOM 0 HZ2 LYS A 23 -4.834 19.155 9.154 1.00 73.50 H new ATOM 0 HZ3 LYS A 23 -4.213 20.724 9.350 1.00 73.50 H new ATOM 363 N ASN A 24 -0.638 15.097 3.982 1.00 25.10 N ATOM 364 CA ASN A 24 -0.564 14.722 2.575 1.00 50.00 C ATOM 365 C ASN A 24 -1.573 13.623 2.251 1.00 65.40 C ATOM 366 O ASN A 24 -1.243 12.638 1.589 1.00 65.20 O ATOM 367 CB ASN A 24 0.850 14.256 2.224 1.00 54.50 C ATOM 368 CG ASN A 24 1.829 15.409 2.119 1.00 60.20 C ATOM 369 OD1 ASN A 24 2.402 15.845 3.117 1.00 4.14 O ATOM 370 ND2 ASN A 24 2.024 15.912 0.905 1.00 42.50 N ATOM 0 H ASN A 24 -0.509 14.322 4.633 1.00 25.10 H new ATOM 0 HA ASN A 24 -0.807 15.600 1.976 1.00 50.00 H new ATOM 0 HB2 ASN A 24 1.198 13.556 2.983 1.00 54.50 H new ATOM 0 HB3 ASN A 24 0.827 13.715 1.278 1.00 54.50 H new ATOM 0 HD21 ASN A 24 2.670 16.690 0.773 1.00 42.50 H new ATOM 0 HD22 ASN A 24 1.528 15.520 0.105 1.00 42.50 H new ATOM 377 N TYR A 25 -2.803 13.798 2.723 1.00 10.10 N ATOM 378 CA TYR A 25 -3.862 12.821 2.486 1.00 40.30 C ATOM 379 C TYR A 25 -4.025 12.538 0.994 1.00 31.20 C ATOM 380 O TYR A 25 -4.414 11.438 0.601 1.00 72.40 O ATOM 381 CB TYR A 25 -5.185 13.322 3.068 1.00 33.30 C ATOM 382 CG TYR A 25 -5.158 13.499 4.569 1.00 43.30 C ATOM 383 CD1 TYR A 25 -4.731 14.693 5.140 1.00 11.30 C ATOM 384 CD2 TYR A 25 -5.558 12.474 5.417 1.00 20.40 C ATOM 385 CE1 TYR A 25 -4.705 14.858 6.512 1.00 0.33 C ATOM 386 CE2 TYR A 25 -5.535 12.632 6.790 1.00 35.00 C ATOM 387 CZ TYR A 25 -5.108 13.825 7.331 1.00 40.20 C ATOM 388 OH TYR A 25 -5.083 13.986 8.698 1.00 35.40 O ATOM 0 H TYR A 25 -3.092 14.607 3.272 1.00 10.10 H new ATOM 0 HA TYR A 25 -3.580 11.893 2.983 1.00 40.30 H new ATOM 0 HB2 TYR A 25 -5.439 14.274 2.603 1.00 33.30 H new ATOM 0 HB3 TYR A 25 -5.976 12.619 2.808 1.00 33.30 H new ATOM 0 HD1 TYR A 25 -4.415 15.504 4.501 1.00 11.30 H new ATOM 0 HD2 TYR A 25 -5.893 11.537 4.996 1.00 20.40 H new ATOM 0 HE1 TYR A 25 -4.371 15.791 6.940 1.00 0.33 H new ATOM 0 HE2 TYR A 25 -5.850 11.825 7.435 1.00 35.00 H new ATOM 0 HH TYR A 25 -5.399 13.165 9.130 1.00 35.40 H new ATOM 398 N GLU A 26 -3.726 13.537 0.171 1.00 42.20 N ATOM 399 CA GLU A 26 -3.840 13.392 -1.277 1.00 42.40 C ATOM 400 C GLU A 26 -2.777 12.440 -1.814 1.00 64.10 C ATOM 401 O GLU A 26 -3.087 11.488 -2.531 1.00 23.30 O ATOM 402 CB GLU A 26 -3.711 14.756 -1.958 1.00 53.00 C ATOM 403 CG GLU A 26 -5.040 15.471 -2.145 1.00 21.50 C ATOM 404 CD GLU A 26 -5.740 15.072 -3.428 1.00 1.52 C ATOM 405 OE1 GLU A 26 -5.204 15.370 -4.516 1.00 64.00 O ATOM 406 OE2 GLU A 26 -6.827 14.460 -3.346 1.00 14.30 O ATOM 0 H GLU A 26 -3.404 14.454 0.480 1.00 42.20 H new ATOM 0 HA GLU A 26 -4.822 12.974 -1.499 1.00 42.40 H new ATOM 0 HB2 GLU A 26 -3.048 15.387 -1.366 1.00 53.00 H new ATOM 0 HB3 GLU A 26 -3.239 14.624 -2.932 1.00 53.00 H new ATOM 0 HG2 GLU A 26 -5.689 15.251 -1.298 1.00 21.50 H new ATOM 0 HG3 GLU A 26 -4.872 16.548 -2.147 1.00 21.50 H new ATOM 413 N GLU A 27 -1.523 12.703 -1.462 1.00 33.30 N ATOM 414 CA GLU A 27 -0.411 11.871 -1.908 1.00 72.00 C ATOM 415 C GLU A 27 -0.485 10.482 -1.280 1.00 43.40 C ATOM 416 O GLU A 27 -0.133 9.486 -1.911 1.00 13.30 O ATOM 417 CB GLU A 27 0.922 12.532 -1.556 1.00 52.20 C ATOM 418 CG GLU A 27 2.045 12.190 -2.520 1.00 44.40 C ATOM 419 CD GLU A 27 2.430 13.358 -3.406 1.00 42.40 C ATOM 420 OE1 GLU A 27 3.250 14.193 -2.966 1.00 22.10 O ATOM 421 OE2 GLU A 27 1.913 13.439 -4.540 1.00 15.10 O ATOM 0 H GLU A 27 -1.251 13.487 -0.868 1.00 33.30 H new ATOM 0 HA GLU A 27 -0.481 11.765 -2.991 1.00 72.00 H new ATOM 0 HB2 GLU A 27 0.788 13.614 -1.537 1.00 52.20 H new ATOM 0 HB3 GLU A 27 1.213 12.229 -0.550 1.00 52.20 H new ATOM 0 HG2 GLU A 27 2.918 11.865 -1.954 1.00 44.40 H new ATOM 0 HG3 GLU A 27 1.739 11.351 -3.145 1.00 44.40 H new ATOM 428 N ALA A 28 -0.946 10.426 -0.035 1.00 52.20 N ATOM 429 CA ALA A 28 -1.065 9.160 0.678 1.00 70.20 C ATOM 430 C ALA A 28 -1.999 8.201 -0.052 1.00 23.40 C ATOM 431 O ALA A 28 -1.755 6.995 -0.095 1.00 13.20 O ATOM 432 CB ALA A 28 -1.558 9.401 2.097 1.00 44.40 C ATOM 0 H ALA A 28 -1.243 11.242 0.500 1.00 52.20 H new ATOM 0 HA ALA A 28 -0.077 8.700 0.719 1.00 70.20 H new ATOM 0 HB1 ALA A 28 -1.643 8.448 2.619 1.00 44.40 H new ATOM 0 HB2 ALA A 28 -0.851 10.042 2.624 1.00 44.40 H new ATOM 0 HB3 ALA A 28 -2.534 9.886 2.066 1.00 44.40 H new ATOM 438 N LEU A 29 -3.067 8.745 -0.625 1.00 12.40 N ATOM 439 CA LEU A 29 -4.038 7.936 -1.354 1.00 20.10 C ATOM 440 C LEU A 29 -3.388 7.255 -2.553 1.00 32.20 C ATOM 441 O LEU A 29 -3.647 6.083 -2.830 1.00 21.30 O ATOM 442 CB LEU A 29 -5.210 8.802 -1.818 1.00 43.00 C ATOM 443 CG LEU A 29 -6.367 8.035 -2.460 1.00 64.20 C ATOM 444 CD1 LEU A 29 -7.149 7.269 -1.404 1.00 4.53 C ATOM 445 CD2 LEU A 29 -7.282 8.987 -3.216 1.00 43.20 C ATOM 0 H LEU A 29 -3.283 9.742 -0.599 1.00 12.40 H new ATOM 0 HA LEU A 29 -4.410 7.165 -0.679 1.00 20.10 H new ATOM 0 HB2 LEU A 29 -5.593 9.357 -0.962 1.00 43.00 H new ATOM 0 HB3 LEU A 29 -4.839 9.536 -2.534 1.00 43.00 H new ATOM 0 HG LEU A 29 -5.954 7.318 -3.170 1.00 64.20 H new ATOM 0 HD11 LEU A 29 -7.968 6.729 -1.878 1.00 4.53 H new ATOM 0 HD12 LEU A 29 -6.488 6.560 -0.905 1.00 4.53 H new ATOM 0 HD13 LEU A 29 -7.551 7.968 -0.671 1.00 4.53 H new ATOM 0 HD21 LEU A 29 -8.100 8.425 -3.667 1.00 43.20 H new ATOM 0 HD22 LEU A 29 -7.687 9.727 -2.526 1.00 43.20 H new ATOM 0 HD23 LEU A 29 -6.715 9.492 -3.998 1.00 43.20 H new ATOM 457 N ARG A 30 -2.542 7.996 -3.262 1.00 14.10 N ATOM 458 CA ARG A 30 -1.855 7.462 -4.432 1.00 1.41 C ATOM 459 C ARG A 30 -0.683 6.577 -4.020 1.00 43.20 C ATOM 460 O ARG A 30 -0.363 5.599 -4.695 1.00 4.24 O ATOM 461 CB ARG A 30 -1.359 8.602 -5.322 1.00 52.20 C ATOM 462 CG ARG A 30 -2.404 9.106 -6.305 1.00 13.10 C ATOM 463 CD ARG A 30 -3.227 10.238 -5.711 1.00 1.14 C ATOM 464 NE ARG A 30 -3.930 11.002 -6.738 1.00 33.20 N ATOM 465 CZ ARG A 30 -4.968 11.798 -6.491 1.00 62.10 C ATOM 466 NH1 ARG A 30 -5.425 11.937 -5.253 1.00 42.30 N ATOM 467 NH2 ARG A 30 -5.549 12.457 -7.483 1.00 74.50 N ATOM 0 H ARG A 30 -2.316 8.967 -3.047 1.00 14.10 H new ATOM 0 HA ARG A 30 -2.565 6.854 -4.993 1.00 1.41 H new ATOM 0 HB2 ARG A 30 -1.036 9.430 -4.691 1.00 52.20 H new ATOM 0 HB3 ARG A 30 -0.484 8.264 -5.877 1.00 52.20 H new ATOM 0 HG2 ARG A 30 -1.913 9.450 -7.215 1.00 13.10 H new ATOM 0 HG3 ARG A 30 -3.063 8.286 -6.589 1.00 13.10 H new ATOM 0 HD2 ARG A 30 -3.950 9.829 -5.005 1.00 1.14 H new ATOM 0 HD3 ARG A 30 -2.574 10.904 -5.148 1.00 1.14 H new ATOM 0 HE ARG A 30 -3.606 10.921 -7.702 1.00 33.20 H new ATOM 0 HH11 ARG A 30 -4.981 11.433 -4.486 1.00 42.30 H new ATOM 0 HH12 ARG A 30 -6.221 12.548 -5.069 1.00 42.30 H new ATOM 0 HH21 ARG A 30 -5.201 12.354 -8.436 1.00 74.50 H new ATOM 0 HH22 ARG A 30 -6.344 13.067 -7.293 1.00 74.50 H new ATOM 481 N LEU A 31 -0.045 6.927 -2.908 1.00 22.40 N ATOM 482 CA LEU A 31 1.092 6.165 -2.406 1.00 61.30 C ATOM 483 C LEU A 31 0.646 4.812 -1.862 1.00 24.10 C ATOM 484 O LEU A 31 1.335 3.806 -2.032 1.00 11.20 O ATOM 485 CB LEU A 31 1.819 6.955 -1.314 1.00 62.30 C ATOM 486 CG LEU A 31 3.070 7.702 -1.780 1.00 21.10 C ATOM 487 CD1 LEU A 31 4.133 6.723 -2.250 1.00 71.40 C ATOM 488 CD2 LEU A 31 2.720 8.686 -2.887 1.00 63.30 C ATOM 0 H LEU A 31 -0.296 7.734 -2.337 1.00 22.40 H new ATOM 0 HA LEU A 31 1.776 5.992 -3.237 1.00 61.30 H new ATOM 0 HB2 LEU A 31 1.123 7.675 -0.884 1.00 62.30 H new ATOM 0 HB3 LEU A 31 2.101 6.268 -0.516 1.00 62.30 H new ATOM 0 HG LEU A 31 3.472 8.262 -0.936 1.00 21.10 H new ATOM 0 HD11 LEU A 31 5.015 7.273 -2.578 1.00 71.40 H new ATOM 0 HD12 LEU A 31 4.404 6.058 -1.430 1.00 71.40 H new ATOM 0 HD13 LEU A 31 3.744 6.134 -3.081 1.00 71.40 H new ATOM 0 HD21 LEU A 31 3.621 9.209 -3.207 1.00 63.30 H new ATOM 0 HD22 LEU A 31 2.294 8.146 -3.733 1.00 63.30 H new ATOM 0 HD23 LEU A 31 1.994 9.409 -2.515 1.00 63.30 H new ATOM 500 N TYR A 32 -0.510 4.794 -1.209 1.00 31.40 N ATOM 501 CA TYR A 32 -1.048 3.563 -0.640 1.00 21.40 C ATOM 502 C TYR A 32 -1.574 2.639 -1.734 1.00 61.30 C ATOM 503 O TYR A 32 -1.376 1.425 -1.685 1.00 20.30 O ATOM 504 CB TYR A 32 -2.164 3.883 0.358 1.00 41.30 C ATOM 505 CG TYR A 32 -1.740 3.755 1.803 1.00 70.40 C ATOM 506 CD1 TYR A 32 -1.850 2.544 2.474 1.00 50.30 C ATOM 507 CD2 TYR A 32 -1.230 4.845 2.496 1.00 3.30 C ATOM 508 CE1 TYR A 32 -1.464 2.422 3.796 1.00 73.10 C ATOM 509 CE2 TYR A 32 -0.842 4.732 3.818 1.00 55.00 C ATOM 510 CZ TYR A 32 -0.960 3.519 4.463 1.00 50.20 C ATOM 511 OH TYR A 32 -0.574 3.402 5.778 1.00 11.20 O ATOM 0 H TYR A 32 -1.093 5.617 -1.060 1.00 31.40 H new ATOM 0 HA TYR A 32 -0.240 3.050 -0.118 1.00 21.40 H new ATOM 0 HB2 TYR A 32 -2.518 4.899 0.181 1.00 41.30 H new ATOM 0 HB3 TYR A 32 -3.006 3.215 0.175 1.00 41.30 H new ATOM 0 HD1 TYR A 32 -2.244 1.683 1.954 1.00 50.30 H new ATOM 0 HD2 TYR A 32 -1.135 5.796 1.994 1.00 3.30 H new ATOM 0 HE1 TYR A 32 -1.557 1.473 4.303 1.00 73.10 H new ATOM 0 HE2 TYR A 32 -0.448 5.590 4.343 1.00 55.00 H new ATOM 0 HH TYR A 32 -0.241 4.266 6.099 1.00 11.20 H new ATOM 521 N GLN A 33 -2.247 3.222 -2.721 1.00 63.10 N ATOM 522 CA GLN A 33 -2.804 2.451 -3.828 1.00 10.10 C ATOM 523 C GLN A 33 -1.697 1.805 -4.656 1.00 13.10 C ATOM 524 O GLN A 33 -1.888 0.739 -5.239 1.00 50.40 O ATOM 525 CB GLN A 33 -3.665 3.349 -4.719 1.00 75.20 C ATOM 526 CG GLN A 33 -5.047 3.625 -4.149 1.00 54.30 C ATOM 527 CD GLN A 33 -6.148 2.925 -4.923 1.00 63.30 C ATOM 528 OE1 GLN A 33 -6.372 1.725 -4.759 1.00 12.00 O ATOM 529 NE2 GLN A 33 -6.841 3.673 -5.773 1.00 62.10 N ATOM 0 H GLN A 33 -2.420 4.226 -2.777 1.00 63.10 H new ATOM 0 HA GLN A 33 -3.426 1.660 -3.409 1.00 10.10 H new ATOM 0 HB2 GLN A 33 -3.149 4.296 -4.873 1.00 75.20 H new ATOM 0 HB3 GLN A 33 -3.771 2.881 -5.698 1.00 75.20 H new ATOM 0 HG2 GLN A 33 -5.078 3.302 -3.108 1.00 54.30 H new ATOM 0 HG3 GLN A 33 -5.230 4.699 -4.155 1.00 54.30 H new ATOM 0 HE21 GLN A 33 -6.621 4.664 -5.877 1.00 62.10 H new ATOM 0 HE22 GLN A 33 -7.593 3.257 -6.322 1.00 62.10 H new ATOM 538 N HIS A 34 -0.541 2.460 -4.704 1.00 61.30 N ATOM 539 CA HIS A 34 0.595 1.949 -5.463 1.00 13.40 C ATOM 540 C HIS A 34 1.183 0.707 -4.799 1.00 53.50 C ATOM 541 O HIS A 34 1.572 -0.245 -5.476 1.00 13.20 O ATOM 542 CB HIS A 34 1.671 3.029 -5.598 1.00 72.00 C ATOM 543 CG HIS A 34 1.673 3.706 -6.934 1.00 64.50 C ATOM 544 ND1 HIS A 34 2.242 3.149 -8.059 1.00 4.22 N ATOM 545 CD2 HIS A 34 1.172 4.903 -7.322 1.00 15.40 C ATOM 546 CE1 HIS A 34 2.091 3.973 -9.081 1.00 22.40 C ATOM 547 NE2 HIS A 34 1.445 5.044 -8.660 1.00 15.10 N ATOM 0 H HIS A 34 -0.366 3.345 -4.227 1.00 61.30 H new ATOM 0 HA HIS A 34 0.241 1.672 -6.456 1.00 13.40 H new ATOM 0 HB2 HIS A 34 1.522 3.778 -4.820 1.00 72.00 H new ATOM 0 HB3 HIS A 34 2.649 2.580 -5.426 1.00 72.00 H new ATOM 0 HD2 HIS A 34 0.654 5.614 -6.695 1.00 15.40 H new ATOM 0 HE1 HIS A 34 2.437 3.799 -10.089 1.00 22.40 H new ATOM 0 HE2 HIS A 34 1.190 5.847 -9.236 1.00 15.10 H new ATOM 556 N ALA A 35 1.246 0.724 -3.472 1.00 71.00 N ATOM 557 CA ALA A 35 1.788 -0.400 -2.718 1.00 34.30 C ATOM 558 C ALA A 35 0.853 -1.603 -2.770 1.00 73.30 C ATOM 559 O ALA A 35 1.297 -2.750 -2.716 1.00 33.20 O ATOM 560 CB ALA A 35 2.045 0.009 -1.275 1.00 51.20 C ATOM 0 H ALA A 35 0.928 1.504 -2.896 1.00 71.00 H new ATOM 0 HA ALA A 35 2.733 -0.690 -3.178 1.00 34.30 H new ATOM 0 HB1 ALA A 35 2.450 -0.839 -0.723 1.00 51.20 H new ATOM 0 HB2 ALA A 35 2.760 0.831 -1.252 1.00 51.20 H new ATOM 0 HB3 ALA A 35 1.110 0.328 -0.815 1.00 51.20 H new ATOM 566 N VAL A 36 -0.445 -1.335 -2.875 1.00 30.40 N ATOM 567 CA VAL A 36 -1.442 -2.397 -2.933 1.00 41.10 C ATOM 568 C VAL A 36 -1.348 -3.173 -4.243 1.00 41.40 C ATOM 569 O VAL A 36 -1.526 -4.390 -4.270 1.00 74.40 O ATOM 570 CB VAL A 36 -2.869 -1.837 -2.783 1.00 50.40 C ATOM 571 CG1 VAL A 36 -3.881 -2.969 -2.679 1.00 42.20 C ATOM 572 CG2 VAL A 36 -2.960 -0.917 -1.573 1.00 12.50 C ATOM 0 H VAL A 36 -0.830 -0.392 -2.922 1.00 30.40 H new ATOM 0 HA VAL A 36 -1.233 -3.070 -2.101 1.00 41.10 H new ATOM 0 HB VAL A 36 -3.103 -1.252 -3.673 1.00 50.40 H new ATOM 0 HG11 VAL A 36 -4.883 -2.553 -2.574 1.00 42.20 H new ATOM 0 HG12 VAL A 36 -3.835 -3.582 -3.579 1.00 42.20 H new ATOM 0 HG13 VAL A 36 -3.650 -3.584 -1.809 1.00 42.20 H new ATOM 0 HG21 VAL A 36 -3.976 -0.532 -1.484 1.00 12.50 H new ATOM 0 HG22 VAL A 36 -2.703 -1.474 -0.672 1.00 12.50 H new ATOM 0 HG23 VAL A 36 -2.266 -0.085 -1.695 1.00 12.50 H new ATOM 582 N GLU A 37 -1.067 -2.459 -5.329 1.00 61.10 N ATOM 583 CA GLU A 37 -0.950 -3.080 -6.643 1.00 64.30 C ATOM 584 C GLU A 37 0.289 -3.967 -6.721 1.00 3.33 C ATOM 585 O GLU A 37 0.266 -5.029 -7.344 1.00 4.15 O ATOM 586 CB GLU A 37 -0.894 -2.009 -7.734 1.00 63.10 C ATOM 587 CG GLU A 37 -2.263 -1.535 -8.192 1.00 11.10 C ATOM 588 CD GLU A 37 -2.814 -2.364 -9.336 1.00 41.20 C ATOM 589 OE1 GLU A 37 -3.023 -3.580 -9.140 1.00 63.40 O ATOM 590 OE2 GLU A 37 -3.037 -1.798 -10.420 1.00 14.30 O ATOM 0 H GLU A 37 -0.916 -1.450 -5.324 1.00 61.10 H new ATOM 0 HA GLU A 37 -1.830 -3.704 -6.800 1.00 64.30 H new ATOM 0 HB2 GLU A 37 -0.328 -1.154 -7.364 1.00 63.10 H new ATOM 0 HB3 GLU A 37 -0.350 -2.404 -8.592 1.00 63.10 H new ATOM 0 HG2 GLU A 37 -2.957 -1.575 -7.352 1.00 11.10 H new ATOM 0 HG3 GLU A 37 -2.197 -0.492 -8.502 1.00 11.10 H new ATOM 597 N TYR A 38 1.369 -3.524 -6.087 1.00 11.40 N ATOM 598 CA TYR A 38 2.618 -4.277 -6.085 1.00 12.40 C ATOM 599 C TYR A 38 2.470 -5.581 -5.308 1.00 41.30 C ATOM 600 O TYR A 38 3.081 -6.593 -5.653 1.00 31.50 O ATOM 601 CB TYR A 38 3.744 -3.436 -5.482 1.00 31.40 C ATOM 602 CG TYR A 38 4.462 -2.570 -6.493 1.00 72.10 C ATOM 603 CD1 TYR A 38 5.244 -3.138 -7.491 1.00 0.24 C ATOM 604 CD2 TYR A 38 4.360 -1.186 -6.447 1.00 74.20 C ATOM 605 CE1 TYR A 38 5.903 -2.350 -8.416 1.00 72.40 C ATOM 606 CE2 TYR A 38 5.014 -0.391 -7.369 1.00 63.00 C ATOM 607 CZ TYR A 38 5.785 -0.978 -8.351 1.00 3.55 C ATOM 608 OH TYR A 38 6.438 -0.190 -9.271 1.00 30.30 O ATOM 0 H TYR A 38 1.405 -2.647 -5.568 1.00 11.40 H new ATOM 0 HA TYR A 38 2.867 -4.519 -7.118 1.00 12.40 H new ATOM 0 HB2 TYR A 38 3.331 -2.800 -4.699 1.00 31.40 H new ATOM 0 HB3 TYR A 38 4.466 -4.099 -5.006 1.00 31.40 H new ATOM 0 HD1 TYR A 38 5.339 -4.212 -7.545 1.00 0.24 H new ATOM 0 HD2 TYR A 38 3.760 -0.723 -5.678 1.00 74.20 H new ATOM 0 HE1 TYR A 38 6.507 -2.807 -9.186 1.00 72.40 H new ATOM 0 HE2 TYR A 38 4.922 0.684 -7.321 1.00 63.00 H new ATOM 0 HH TYR A 38 6.250 0.754 -9.086 1.00 30.30 H new ATOM 618 N PHE A 39 1.656 -5.549 -4.258 1.00 23.40 N ATOM 619 CA PHE A 39 1.431 -6.730 -3.431 1.00 61.10 C ATOM 620 C PHE A 39 0.581 -7.760 -4.168 1.00 52.10 C ATOM 621 O PHE A 39 0.816 -8.964 -4.061 1.00 60.10 O ATOM 622 CB PHE A 39 0.749 -6.335 -2.119 1.00 71.40 C ATOM 623 CG PHE A 39 1.714 -5.928 -1.040 1.00 14.10 C ATOM 624 CD1 PHE A 39 2.664 -6.820 -0.571 1.00 75.10 C ATOM 625 CD2 PHE A 39 1.667 -4.654 -0.498 1.00 21.10 C ATOM 626 CE1 PHE A 39 3.552 -6.449 0.421 1.00 42.00 C ATOM 627 CE2 PHE A 39 2.553 -4.277 0.494 1.00 0.20 C ATOM 628 CZ PHE A 39 3.496 -5.175 0.954 1.00 60.10 C ATOM 0 H PHE A 39 1.142 -4.720 -3.960 1.00 23.40 H new ATOM 0 HA PHE A 39 2.400 -7.178 -3.211 1.00 61.10 H new ATOM 0 HB2 PHE A 39 0.061 -5.511 -2.310 1.00 71.40 H new ATOM 0 HB3 PHE A 39 0.151 -7.174 -1.763 1.00 71.40 H new ATOM 0 HD1 PHE A 39 2.711 -7.816 -0.985 1.00 75.10 H new ATOM 0 HD2 PHE A 39 0.931 -3.948 -0.854 1.00 21.10 H new ATOM 0 HE1 PHE A 39 4.288 -7.153 0.779 1.00 42.00 H new ATOM 0 HE2 PHE A 39 2.508 -3.281 0.909 1.00 0.20 H new ATOM 0 HZ PHE A 39 4.189 -4.882 1.729 1.00 60.10 H new ATOM 638 N LEU A 40 -0.408 -7.280 -4.914 1.00 75.00 N ATOM 639 CA LEU A 40 -1.292 -8.160 -5.669 1.00 72.10 C ATOM 640 C LEU A 40 -0.544 -8.844 -6.808 1.00 11.10 C ATOM 641 O LEU A 40 -0.763 -10.020 -7.089 1.00 22.20 O ATOM 642 CB LEU A 40 -2.478 -7.369 -6.226 1.00 4.24 C ATOM 643 CG LEU A 40 -3.587 -7.067 -5.217 1.00 24.20 C ATOM 644 CD1 LEU A 40 -4.576 -6.068 -5.794 1.00 35.10 C ATOM 645 CD2 LEU A 40 -4.298 -8.349 -4.808 1.00 54.30 C ATOM 0 H LEU A 40 -0.618 -6.287 -5.012 1.00 75.00 H new ATOM 0 HA LEU A 40 -1.661 -8.929 -4.990 1.00 72.10 H new ATOM 0 HB2 LEU A 40 -2.109 -6.426 -6.630 1.00 4.24 H new ATOM 0 HB3 LEU A 40 -2.907 -7.926 -7.059 1.00 4.24 H new ATOM 0 HG LEU A 40 -3.134 -6.626 -4.329 1.00 24.20 H new ATOM 0 HD11 LEU A 40 -5.358 -5.866 -5.062 1.00 35.10 H new ATOM 0 HD12 LEU A 40 -4.057 -5.141 -6.036 1.00 35.10 H new ATOM 0 HD13 LEU A 40 -5.024 -6.480 -6.698 1.00 35.10 H new ATOM 0 HD21 LEU A 40 -5.084 -8.116 -4.090 1.00 54.30 H new ATOM 0 HD22 LEU A 40 -4.738 -8.818 -5.688 1.00 54.30 H new ATOM 0 HD23 LEU A 40 -3.582 -9.033 -4.353 1.00 54.30 H new ATOM 657 N HIS A 41 0.342 -8.098 -7.460 1.00 60.00 N ATOM 658 CA HIS A 41 1.123 -8.634 -8.569 1.00 64.40 C ATOM 659 C HIS A 41 2.177 -9.618 -8.071 1.00 21.40 C ATOM 660 O HIS A 41 2.538 -10.560 -8.771 1.00 23.10 O ATOM 661 CB HIS A 41 1.794 -7.498 -9.343 1.00 45.40 C ATOM 662 CG HIS A 41 2.385 -7.930 -10.640 1.00 23.40 C ATOM 663 ND1 HIS A 41 1.999 -7.400 -11.860 1.00 2.14 N ATOM 664 CD2 HIS A 41 3.342 -8.847 -10.920 1.00 55.30 C ATOM 665 CE1 HIS A 41 2.691 -7.973 -12.830 1.00 55.30 C ATOM 666 NE2 HIS A 41 3.512 -8.854 -12.290 1.00 1.05 N ATOM 0 H HIS A 41 0.537 -7.121 -7.240 1.00 60.00 H new ATOM 0 HA HIS A 41 0.443 -9.166 -9.234 1.00 64.40 H new ATOM 0 HB2 HIS A 41 1.060 -6.714 -9.530 1.00 45.40 H new ATOM 0 HB3 HIS A 41 2.577 -7.060 -8.724 1.00 45.40 H new ATOM 0 HD2 HIS A 41 3.873 -9.458 -10.205 1.00 55.30 H new ATOM 0 HE1 HIS A 41 2.600 -7.757 -13.884 1.00 55.30 H new ATOM 0 HE2 HIS A 41 4.167 -9.445 -12.802 1.00 1.05 H new ATOM 675 N ALA A 42 2.667 -9.388 -6.858 1.00 0.25 N ATOM 676 CA ALA A 42 3.682 -10.250 -6.267 1.00 33.20 C ATOM 677 C ALA A 42 3.120 -11.640 -5.980 1.00 2.41 C ATOM 678 O ALA A 42 3.768 -12.650 -6.254 1.00 51.40 O ATOM 679 CB ALA A 42 4.230 -9.629 -4.994 1.00 54.30 C ATOM 0 H ALA A 42 2.377 -8.611 -6.265 1.00 0.25 H new ATOM 0 HA ALA A 42 4.496 -10.354 -6.984 1.00 33.20 H new ATOM 0 HB1 ALA A 42 4.987 -10.286 -4.565 1.00 54.30 H new ATOM 0 HB2 ALA A 42 4.677 -8.662 -5.224 1.00 54.30 H new ATOM 0 HB3 ALA A 42 3.420 -9.493 -4.278 1.00 54.30 H new ATOM 685 N ILE A 43 1.914 -11.680 -5.425 1.00 63.20 N ATOM 686 CA ILE A 43 1.267 -12.950 -5.098 1.00 31.20 C ATOM 687 C ILE A 43 0.919 -13.730 -6.361 1.00 31.30 C ATOM 688 O ILE A 43 1.174 -14.930 -6.449 1.00 23.20 O ATOM 689 CB ILE A 43 -0.017 -12.730 -4.274 1.00 60.00 C ATOM 690 CG1 ILE A 43 0.266 -11.810 -3.077 1.00 22.20 C ATOM 691 CG2 ILE A 43 -0.584 -14.060 -3.809 1.00 61.30 C ATOM 692 CD1 ILE A 43 -0.858 -10.850 -2.775 1.00 3.03 C ATOM 0 H ILE A 43 1.365 -10.853 -5.192 1.00 63.20 H new ATOM 0 HA ILE A 43 1.978 -13.524 -4.504 1.00 31.20 H new ATOM 0 HB ILE A 43 -0.759 -12.246 -4.909 1.00 60.00 H new ATOM 0 HG12 ILE A 43 0.456 -12.422 -2.196 1.00 22.20 H new ATOM 0 HG13 ILE A 43 1.175 -11.242 -3.273 1.00 22.20 H new ATOM 0 HG21 ILE A 43 -1.490 -13.886 -3.229 1.00 61.30 H new ATOM 0 HG22 ILE A 43 -0.821 -14.677 -4.675 1.00 61.30 H new ATOM 0 HG23 ILE A 43 0.151 -14.572 -3.189 1.00 61.30 H new ATOM 0 HD11 ILE A 43 -0.589 -10.232 -1.918 1.00 3.03 H new ATOM 0 HD12 ILE A 43 -1.034 -10.212 -3.641 1.00 3.03 H new ATOM 0 HD13 ILE A 43 -1.764 -11.411 -2.547 1.00 3.03 H new ATOM 704 N LYS A 44 0.334 -13.040 -7.336 1.00 32.10 N ATOM 705 CA LYS A 44 -0.051 -13.670 -8.594 1.00 40.00 C ATOM 706 C LYS A 44 1.163 -14.270 -9.298 1.00 52.40 C ATOM 707 O LYS A 44 1.165 -15.450 -9.660 1.00 52.00 O ATOM 708 CB LYS A 44 -0.736 -12.660 -9.509 1.00 21.20 C ATOM 709 CG LYS A 44 -1.836 -13.260 -10.360 1.00 14.30 C ATOM 710 CD LYS A 44 -1.305 -13.700 -11.720 1.00 12.40 C ATOM 711 CE LYS A 44 -2.252 -13.320 -12.840 1.00 61.10 C ATOM 712 NZ LYS A 44 -1.640 -13.530 -14.180 1.00 62.30 N ATOM 0 H LYS A 44 0.117 -12.045 -7.279 1.00 32.10 H new ATOM 0 HA LYS A 44 -0.751 -14.474 -8.366 1.00 40.00 H new ATOM 0 HB2 LYS A 44 -1.155 -11.858 -8.901 1.00 21.20 H new ATOM 0 HB3 LYS A 44 0.011 -12.209 -10.162 1.00 21.20 H new ATOM 0 HG2 LYS A 44 -2.273 -14.115 -9.844 1.00 14.30 H new ATOM 0 HG3 LYS A 44 -2.633 -12.529 -10.497 1.00 14.30 H new ATOM 0 HD2 LYS A 44 -0.331 -13.243 -11.896 1.00 12.40 H new ATOM 0 HD3 LYS A 44 -1.155 -14.780 -11.720 1.00 12.40 H new ATOM 0 HE2 LYS A 44 -3.164 -13.912 -12.761 1.00 61.10 H new ATOM 0 HE3 LYS A 44 -2.540 -12.274 -12.732 1.00 61.10 H new ATOM 0 HZ1 LYS A 44 -2.320 -13.258 -14.919 1.00 62.30 H new ATOM 0 HZ2 LYS A 44 -0.784 -12.946 -14.266 1.00 62.30 H new ATOM 0 HZ3 LYS A 44 -1.388 -14.533 -14.293 1.00 62.30 H new ATOM 726 N TYR A 45 2.193 -13.450 -9.490 1.00 61.20 N ATOM 727 CA TYR A 45 3.410 -13.900 -10.150 1.00 12.40 C ATOM 728 C TYR A 45 4.249 -14.770 -9.223 1.00 41.30 C ATOM 729 O TYR A 45 4.456 -15.960 -9.487 1.00 12.20 O ATOM 730 CB TYR A 45 4.233 -12.700 -10.620 1.00 34.40 C ATOM 731 CG TYR A 45 3.803 -12.160 -11.970 1.00 33.00 C ATOM 732 CD1 TYR A 45 2.489 -11.770 -12.190 1.00 73.00 C ATOM 733 CD2 TYR A 45 4.712 -12.040 -13.010 1.00 20.20 C ATOM 734 CE1 TYR A 45 2.092 -11.280 -13.420 1.00 45.40 C ATOM 735 CE2 TYR A 45 4.322 -11.550 -14.240 1.00 72.00 C ATOM 736 CZ TYR A 45 3.011 -11.170 -14.440 1.00 50.10 C ATOM 737 OH TYR A 45 2.620 -10.680 -15.670 1.00 53.00 O ATOM 0 H TYR A 45 2.207 -12.473 -9.198 1.00 61.20 H new ATOM 0 HA TYR A 45 3.120 -14.498 -11.014 1.00 12.40 H new ATOM 0 HB2 TYR A 45 4.156 -11.905 -9.879 1.00 34.40 H new ATOM 0 HB3 TYR A 45 5.283 -12.988 -10.671 1.00 34.40 H new ATOM 0 HD1 TYR A 45 1.768 -11.850 -11.390 1.00 73.00 H new ATOM 0 HD2 TYR A 45 5.740 -12.334 -12.856 1.00 20.20 H new ATOM 0 HE1 TYR A 45 1.066 -10.985 -13.581 1.00 45.40 H new ATOM 0 HE2 TYR A 45 5.040 -11.464 -15.042 1.00 72.00 H new ATOM 0 HH TYR A 45 3.390 -10.667 -16.276 1.00 53.00 H new ATOM 747 N GLU A 46 4.728 -14.180 -8.135 1.00 1.21 N ATOM 748 CA GLU A 46 5.543 -14.900 -7.166 1.00 71.10 C ATOM 749 C GLU A 46 4.685 -15.450 -6.028 1.00 34.30 C ATOM 750 O GLU A 46 4.399 -14.740 -5.062 1.00 14.10 O ATOM 751 CB GLU A 46 6.637 -13.990 -6.607 1.00 65.40 C ATOM 752 CG GLU A 46 7.910 -13.990 -7.437 1.00 42.10 C ATOM 753 CD GLU A 46 8.922 -15.010 -6.956 1.00 20.20 C ATOM 754 OE1 GLU A 46 8.502 -16.110 -6.539 1.00 20.30 O ATOM 755 OE2 GLU A 46 10.133 -14.710 -6.998 1.00 12.00 O ATOM 0 H GLU A 46 4.565 -13.201 -7.901 1.00 1.21 H new ATOM 0 HA GLU A 46 6.010 -15.741 -7.679 1.00 71.10 H new ATOM 0 HB2 GLU A 46 6.254 -12.971 -6.544 1.00 65.40 H new ATOM 0 HB3 GLU A 46 6.875 -14.304 -5.591 1.00 65.40 H new ATOM 0 HG2 GLU A 46 7.660 -14.195 -8.478 1.00 42.10 H new ATOM 0 HG3 GLU A 46 8.359 -12.997 -7.407 1.00 42.10 H new ATOM 762 N ALA A 47 4.278 -16.700 -6.148 1.00 53.30 N ATOM 763 CA ALA A 47 3.453 -17.340 -5.128 1.00 35.10 C ATOM 764 C ALA A 47 4.312 -18.100 -4.119 1.00 15.40 C ATOM 765 O ALA A 47 5.402 -18.570 -4.446 1.00 42.10 O ATOM 766 CB ALA A 47 2.447 -18.280 -5.775 1.00 61.30 C ATOM 0 H ALA A 47 4.504 -17.298 -6.943 1.00 53.30 H new ATOM 0 HA ALA A 47 2.914 -16.558 -4.593 1.00 35.10 H new ATOM 0 HB1 ALA A 47 1.839 -18.750 -5.002 1.00 61.30 H new ATOM 0 HB2 ALA A 47 1.803 -17.716 -6.450 1.00 61.30 H new ATOM 0 HB3 ALA A 47 2.977 -19.049 -6.337 1.00 61.30 H new ATOM 772 N HIS A 48 3.815 -18.210 -2.892 1.00 20.30 N ATOM 773 CA HIS A 48 4.537 -18.900 -1.835 1.00 34.10 C ATOM 774 C HIS A 48 3.590 -19.770 -1.016 1.00 53.20 C ATOM 775 O HIS A 48 2.449 -20.010 -1.411 1.00 11.30 O ATOM 776 CB HIS A 48 5.245 -17.890 -0.925 1.00 1.22 C ATOM 777 CG HIS A 48 6.739 -17.960 -1.011 1.00 32.00 C ATOM 778 ND1 HIS A 48 7.447 -17.550 -2.122 1.00 63.10 N ATOM 779 CD2 HIS A 48 7.661 -18.390 -0.116 1.00 53.10 C ATOM 780 CE1 HIS A 48 8.738 -17.720 -1.907 1.00 5.33 C ATOM 781 NE2 HIS A 48 8.895 -18.230 -0.698 1.00 70.30 N ATOM 0 H HIS A 48 2.913 -17.829 -2.607 1.00 20.30 H new ATOM 0 HA HIS A 48 5.286 -19.543 -2.297 1.00 34.10 H new ATOM 0 HB2 HIS A 48 4.920 -16.884 -1.189 1.00 1.22 H new ATOM 0 HB3 HIS A 48 4.939 -18.064 0.107 1.00 1.22 H new ATOM 0 HD2 HIS A 48 7.463 -18.784 0.870 1.00 53.10 H new ATOM 0 HE1 HIS A 48 9.531 -17.483 -2.601 1.00 5.33 H new ATOM 0 HE2 HIS A 48 9.788 -18.467 -0.267 1.00 70.30 H new ATOM 790 N SER A 49 4.073 -20.260 0.126 1.00 44.00 N ATOM 791 CA SER A 49 3.268 -21.100 0.998 1.00 42.30 C ATOM 792 C SER A 49 2.050 -20.350 1.518 1.00 10.30 C ATOM 793 O SER A 49 1.962 -19.130 1.386 1.00 60.20 O ATOM 794 CB SER A 49 4.110 -21.610 2.171 1.00 74.30 C ATOM 795 OG SER A 49 3.785 -22.950 2.494 1.00 60.20 O ATOM 0 H SER A 49 5.019 -20.087 0.465 1.00 44.00 H new ATOM 0 HA SER A 49 2.918 -21.950 0.412 1.00 42.30 H new ATOM 0 HB2 SER A 49 5.168 -21.541 1.919 1.00 74.30 H new ATOM 0 HB3 SER A 49 3.948 -20.974 3.041 1.00 74.30 H new ATOM 0 HG SER A 49 4.339 -23.249 3.245 1.00 60.20 H new ATOM 801 N ASP A 50 1.112 -21.080 2.110 1.00 40.10 N ATOM 802 CA ASP A 50 -0.103 -20.480 2.651 1.00 62.10 C ATOM 803 C ASP A 50 0.230 -19.400 3.675 1.00 24.20 C ATOM 804 O ASP A 50 -0.430 -18.360 3.738 1.00 43.30 O ATOM 805 CB ASP A 50 -0.983 -21.550 3.292 1.00 13.20 C ATOM 806 CG ASP A 50 -1.966 -22.160 2.310 1.00 30.50 C ATOM 807 OD1 ASP A 50 -1.541 -22.990 1.481 1.00 3.44 O ATOM 808 OD2 ASP A 50 -3.162 -21.800 2.369 1.00 44.50 O ATOM 0 H ASP A 50 1.169 -22.092 2.228 1.00 40.10 H new ATOM 0 HA ASP A 50 -0.646 -20.018 1.827 1.00 62.10 H new ATOM 0 HB2 ASP A 50 -0.351 -22.337 3.704 1.00 13.20 H new ATOM 0 HB3 ASP A 50 -1.532 -21.113 4.126 1.00 13.20 H new ATOM 813 N LYS A 51 1.260 -19.650 4.477 1.00 10.30 N ATOM 814 CA LYS A 51 1.682 -18.700 5.501 1.00 4.32 C ATOM 815 C LYS A 51 2.087 -17.370 4.878 1.00 14.40 C ATOM 816 O LYS A 51 1.648 -16.310 5.319 1.00 53.40 O ATOM 817 CB LYS A 51 2.849 -19.280 6.306 1.00 63.30 C ATOM 818 CG LYS A 51 2.904 -18.770 7.741 1.00 73.20 C ATOM 819 CD LYS A 51 4.286 -18.250 8.102 1.00 24.40 C ATOM 820 CE LYS A 51 4.857 -18.960 9.318 1.00 64.30 C ATOM 821 NZ LYS A 51 4.430 -18.320 10.590 1.00 62.20 N ATOM 0 H LYS A 51 1.818 -20.503 4.438 1.00 10.30 H new ATOM 0 HA LYS A 51 0.839 -18.521 6.169 1.00 4.32 H new ATOM 0 HB2 LYS A 51 2.769 -20.367 6.317 1.00 63.30 H new ATOM 0 HB3 LYS A 51 3.785 -19.034 5.804 1.00 63.30 H new ATOM 0 HG2 LYS A 51 2.170 -17.975 7.873 1.00 73.20 H new ATOM 0 HG3 LYS A 51 2.628 -19.574 8.423 1.00 73.20 H new ATOM 0 HD2 LYS A 51 4.958 -18.384 7.254 1.00 24.40 H new ATOM 0 HD3 LYS A 51 4.231 -17.179 8.299 1.00 24.40 H new ATOM 0 HE2 LYS A 51 4.538 -20.002 9.312 1.00 64.30 H new ATOM 0 HE3 LYS A 51 5.945 -18.960 9.260 1.00 64.30 H new ATOM 0 HZ1 LYS A 51 4.842 -18.836 11.394 1.00 62.20 H new ATOM 0 HZ2 LYS A 51 4.756 -17.333 10.608 1.00 62.20 H new ATOM 0 HZ3 LYS A 51 3.393 -18.343 10.659 1.00 62.20 H new ATOM 835 N ALA A 52 2.927 -17.430 3.850 1.00 54.20 N ATOM 836 CA ALA A 52 3.394 -16.230 3.169 1.00 35.00 C ATOM 837 C ALA A 52 2.299 -15.630 2.291 1.00 15.20 C ATOM 838 O ALA A 52 2.202 -14.410 2.149 1.00 73.20 O ATOM 839 CB ALA A 52 4.629 -16.550 2.336 1.00 31.40 C ATOM 0 H ALA A 52 3.299 -18.300 3.470 1.00 54.20 H new ATOM 0 HA ALA A 52 3.657 -15.490 3.925 1.00 35.00 H new ATOM 0 HB1 ALA A 52 4.971 -15.647 1.831 1.00 31.40 H new ATOM 0 HB2 ALA A 52 5.420 -16.923 2.987 1.00 31.40 H new ATOM 0 HB3 ALA A 52 4.381 -17.309 1.594 1.00 31.40 H new ATOM 845 N LYS A 53 1.477 -16.500 1.704 1.00 2.32 N ATOM 846 CA LYS A 53 0.391 -16.050 0.839 1.00 22.30 C ATOM 847 C LYS A 53 -0.713 -15.380 1.649 1.00 54.30 C ATOM 848 O LYS A 53 -1.168 -14.290 1.311 1.00 2.42 O ATOM 849 CB LYS A 53 -0.181 -17.230 0.053 1.00 13.30 C ATOM 850 CG LYS A 53 -0.543 -16.890 -1.383 1.00 61.20 C ATOM 851 CD LYS A 53 -1.262 -18.040 -2.069 1.00 1.52 C ATOM 852 CE LYS A 53 -2.753 -17.770 -2.201 1.00 44.50 C ATOM 853 NZ LYS A 53 -3.284 -18.210 -3.520 1.00 22.10 N ATOM 0 H LYS A 53 1.543 -17.512 1.811 1.00 2.32 H new ATOM 0 HA LYS A 53 0.796 -15.317 0.141 1.00 22.30 H new ATOM 0 HB2 LYS A 53 0.547 -18.042 0.052 1.00 13.30 H new ATOM 0 HB3 LYS A 53 -1.070 -17.599 0.565 1.00 13.30 H new ATOM 0 HG2 LYS A 53 -1.177 -16.004 -1.398 1.00 61.20 H new ATOM 0 HG3 LYS A 53 0.362 -16.644 -1.938 1.00 61.20 H new ATOM 0 HD2 LYS A 53 -0.832 -18.201 -3.058 1.00 1.52 H new ATOM 0 HD3 LYS A 53 -1.107 -18.957 -1.501 1.00 1.52 H new ATOM 0 HE2 LYS A 53 -3.287 -18.287 -1.404 1.00 44.50 H new ATOM 0 HE3 LYS A 53 -2.941 -16.704 -2.071 1.00 44.50 H new ATOM 0 HZ1 LYS A 53 -4.303 -18.008 -3.569 1.00 22.10 H new ATOM 0 HZ2 LYS A 53 -2.793 -17.698 -4.280 1.00 22.10 H new ATOM 0 HZ3 LYS A 53 -3.128 -19.232 -3.634 1.00 22.10 H new ATOM 867 N GLU A 54 -1.141 -16.040 2.720 1.00 40.20 N ATOM 868 CA GLU A 54 -2.193 -15.510 3.578 1.00 15.20 C ATOM 869 C GLU A 54 -1.755 -14.200 4.229 1.00 31.50 C ATOM 870 O GLU A 54 -2.556 -13.280 4.400 1.00 1.33 O ATOM 871 CB GLU A 54 -2.568 -16.530 4.654 1.00 64.40 C ATOM 872 CG GLU A 54 -4.000 -16.390 5.148 1.00 0.01 C ATOM 873 CD GLU A 54 -4.115 -16.550 6.651 1.00 73.40 C ATOM 874 OE1 GLU A 54 -3.828 -15.570 7.375 1.00 72.20 O ATOM 875 OE2 GLU A 54 -4.493 -17.650 7.107 1.00 2.25 O ATOM 0 H GLU A 54 -0.774 -16.945 3.015 1.00 40.20 H new ATOM 0 HA GLU A 54 -3.068 -15.312 2.958 1.00 15.20 H new ATOM 0 HB2 GLU A 54 -2.425 -17.535 4.257 1.00 64.40 H new ATOM 0 HB3 GLU A 54 -1.888 -16.422 5.499 1.00 64.40 H new ATOM 0 HG2 GLU A 54 -4.386 -15.412 4.860 1.00 0.01 H new ATOM 0 HG3 GLU A 54 -4.624 -17.137 4.658 1.00 0.01 H new ATOM 882 N SER A 55 -0.479 -14.120 4.593 1.00 44.40 N ATOM 883 CA SER A 55 0.065 -12.930 5.228 1.00 74.20 C ATOM 884 C SER A 55 -0.078 -11.710 4.319 1.00 22.20 C ATOM 885 O SER A 55 -0.460 -10.630 4.767 1.00 21.10 O ATOM 886 CB SER A 55 1.538 -13.140 5.585 1.00 43.10 C ATOM 887 OG SER A 55 1.677 -13.630 6.906 1.00 72.10 O ATOM 0 H SER A 55 0.198 -14.870 4.457 1.00 44.40 H new ATOM 0 HA SER A 55 -0.502 -12.750 6.142 1.00 74.20 H new ATOM 0 HB2 SER A 55 1.989 -13.842 4.884 1.00 43.10 H new ATOM 0 HB3 SER A 55 2.078 -12.198 5.484 1.00 43.10 H new ATOM 0 HG SER A 55 1.731 -14.608 6.888 1.00 72.10 H new ATOM 893 N ILE A 56 0.231 -11.900 3.040 1.00 32.40 N ATOM 894 CA ILE A 56 0.138 -10.810 2.068 1.00 21.10 C ATOM 895 C ILE A 56 -1.317 -10.460 1.777 1.00 73.20 C ATOM 896 O ILE A 56 -1.667 -9.286 1.660 1.00 14.20 O ATOM 897 CB ILE A 56 0.839 -11.180 0.746 1.00 23.20 C ATOM 898 CG1 ILE A 56 2.258 -11.690 1.018 1.00 51.10 C ATOM 899 CG2 ILE A 56 0.868 -9.990 -0.194 1.00 30.40 C ATOM 900 CD1 ILE A 56 2.753 -12.680 -0.011 1.00 55.30 C ATOM 0 H ILE A 56 0.546 -12.790 2.652 1.00 32.40 H new ATOM 0 HA ILE A 56 0.637 -9.946 2.508 1.00 21.10 H new ATOM 0 HB ILE A 56 0.273 -11.979 0.266 1.00 23.20 H new ATOM 0 HG12 ILE A 56 2.940 -10.841 1.050 1.00 51.10 H new ATOM 0 HG13 ILE A 56 2.285 -12.158 2.002 1.00 51.10 H new ATOM 0 HG21 ILE A 56 1.367 -10.271 -1.122 1.00 30.40 H new ATOM 0 HG22 ILE A 56 -0.152 -9.674 -0.412 1.00 30.40 H new ATOM 0 HG23 ILE A 56 1.410 -9.169 0.275 1.00 30.40 H new ATOM 0 HD11 ILE A 56 3.764 -12.997 0.246 1.00 55.30 H new ATOM 0 HD12 ILE A 56 2.093 -13.548 -0.028 1.00 55.30 H new ATOM 0 HD13 ILE A 56 2.759 -12.210 -0.994 1.00 55.30 H new ATOM 912 N ARG A 57 -2.160 -11.480 1.661 1.00 54.40 N ATOM 913 CA ARG A 57 -3.576 -11.270 1.381 1.00 14.40 C ATOM 914 C ARG A 57 -4.232 -10.430 2.474 1.00 0.12 C ATOM 915 O ARG A 57 -4.947 -9.474 2.188 1.00 0.51 O ATOM 916 CB ARG A 57 -4.295 -12.610 1.255 1.00 61.20 C ATOM 917 CG ARG A 57 -5.472 -12.590 0.295 1.00 11.20 C ATOM 918 CD ARG A 57 -5.076 -13.080 -1.086 1.00 13.20 C ATOM 919 NE ARG A 57 -6.211 -13.100 -2.007 1.00 10.50 N ATOM 920 CZ ARG A 57 -6.698 -12.020 -2.608 1.00 55.30 C ATOM 921 NH1 ARG A 57 -6.154 -10.830 -2.389 1.00 11.40 N ATOM 922 NH2 ARG A 57 -7.733 -12.130 -3.430 1.00 10.20 N ATOM 0 H ARG A 57 -1.888 -12.459 1.756 1.00 54.40 H new ATOM 0 HA ARG A 57 -3.656 -10.730 0.437 1.00 14.40 H new ATOM 0 HB2 ARG A 57 -3.581 -13.364 0.923 1.00 61.20 H new ATOM 0 HB3 ARG A 57 -4.648 -12.916 2.240 1.00 61.20 H new ATOM 0 HG2 ARG A 57 -6.273 -13.216 0.688 1.00 11.20 H new ATOM 0 HG3 ARG A 57 -5.866 -11.576 0.223 1.00 11.20 H new ATOM 0 HD2 ARG A 57 -4.294 -12.436 -1.489 1.00 13.20 H new ATOM 0 HD3 ARG A 57 -4.655 -14.082 -1.008 1.00 13.20 H new ATOM 0 HE ARG A 57 -6.656 -13.997 -2.200 1.00 10.50 H new ATOM 0 HH11 ARG A 57 -5.358 -10.741 -1.757 1.00 11.40 H new ATOM 0 HH12 ARG A 57 -6.531 -10.004 -2.853 1.00 11.40 H new ATOM 0 HH21 ARG A 57 -8.154 -13.043 -3.600 1.00 10.20 H new ATOM 0 HH22 ARG A 57 -8.108 -11.301 -3.892 1.00 10.20 H new ATOM 936 N ALA A 58 -3.988 -10.800 3.726 1.00 61.30 N ATOM 937 CA ALA A 58 -4.556 -10.080 4.861 1.00 73.40 C ATOM 938 C ALA A 58 -4.054 -8.651 4.913 1.00 64.00 C ATOM 939 O ALA A 58 -4.752 -7.756 5.391 1.00 54.10 O ATOM 940 CB ALA A 58 -4.228 -10.810 6.158 1.00 33.00 C ATOM 0 H ALA A 58 -3.401 -11.594 3.981 1.00 61.30 H new ATOM 0 HA ALA A 58 -5.638 -10.046 4.737 1.00 73.40 H new ATOM 0 HB1 ALA A 58 -4.656 -10.266 7.000 1.00 33.00 H new ATOM 0 HB2 ALA A 58 -4.647 -11.816 6.125 1.00 33.00 H new ATOM 0 HB3 ALA A 58 -3.146 -10.871 6.277 1.00 33.00 H new ATOM 946 N LYS A 59 -2.838 -8.434 4.421 1.00 15.20 N ATOM 947 CA LYS A 59 -2.242 -7.103 4.414 1.00 23.40 C ATOM 948 C LYS A 59 -2.946 -6.194 3.410 1.00 2.32 C ATOM 949 O LYS A 59 -3.104 -4.997 3.648 1.00 4.00 O ATOM 950 CB LYS A 59 -0.752 -7.191 4.081 1.00 1.32 C ATOM 951 CG LYS A 59 0.119 -7.544 5.276 1.00 4.44 C ATOM 952 CD LYS A 59 0.723 -6.303 5.912 1.00 52.10 C ATOM 953 CE LYS A 59 1.618 -6.658 7.088 1.00 12.20 C ATOM 954 NZ LYS A 59 0.890 -6.576 8.384 1.00 1.55 N ATOM 0 H LYS A 59 -2.246 -9.163 4.022 1.00 15.20 H new ATOM 0 HA LYS A 59 -2.361 -6.675 5.409 1.00 23.40 H new ATOM 0 HB2 LYS A 59 -0.606 -7.939 3.302 1.00 1.32 H new ATOM 0 HB3 LYS A 59 -0.423 -6.236 3.672 1.00 1.32 H new ATOM 0 HG2 LYS A 59 -0.476 -8.080 6.015 1.00 4.44 H new ATOM 0 HG3 LYS A 59 0.916 -8.217 4.960 1.00 4.44 H new ATOM 0 HD2 LYS A 59 1.300 -5.755 5.167 1.00 52.10 H new ATOM 0 HD3 LYS A 59 -0.075 -5.640 6.248 1.00 52.10 H new ATOM 0 HE2 LYS A 59 2.010 -7.666 6.955 1.00 12.20 H new ATOM 0 HE3 LYS A 59 2.474 -5.984 7.109 1.00 12.20 H new ATOM 0 HZ1 LYS A 59 1.535 -6.825 9.161 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 0.538 -5.607 8.524 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 0.088 -7.238 8.374 1.00 1.55 H new ATOM 968 N CYS A 60 -3.364 -6.771 2.289 1.00 73.40 N ATOM 969 CA CYS A 60 -4.049 -6.012 1.248 1.00 5.53 C ATOM 970 C CYS A 60 -5.385 -5.475 1.751 1.00 1.21 C ATOM 971 O CYS A 60 -5.793 -4.368 1.399 1.00 64.10 O ATOM 972 CB CYS A 60 -4.270 -6.886 0.014 1.00 75.50 C ATOM 973 SG CYS A 60 -2.912 -6.839 -1.179 1.00 23.20 S ATOM 0 H CYS A 60 -3.241 -7.761 2.077 1.00 73.40 H new ATOM 0 HA CYS A 60 -3.418 -5.165 0.978 1.00 5.53 H new ATOM 0 HB2 CYS A 60 -4.422 -7.917 0.335 1.00 75.50 H new ATOM 0 HB3 CYS A 60 -5.187 -6.569 -0.483 1.00 75.50 H new ATOM 0 HG CYS A 60 -3.192 -7.612 -2.186 1.00 23.20 H new ATOM 979 N VAL A 61 -6.064 -6.267 2.575 1.00 50.10 N ATOM 980 CA VAL A 61 -7.355 -5.872 3.124 1.00 74.40 C ATOM 981 C VAL A 61 -7.217 -4.660 4.042 1.00 62.00 C ATOM 982 O VAL A 61 -8.022 -3.731 3.984 1.00 41.40 O ATOM 983 CB VAL A 61 -8.010 -7.025 3.910 1.00 34.40 C ATOM 984 CG1 VAL A 61 -9.419 -6.648 4.341 1.00 63.30 C ATOM 985 CG2 VAL A 61 -8.023 -8.300 3.079 1.00 32.40 C ATOM 0 H VAL A 61 -5.741 -7.186 2.877 1.00 50.10 H new ATOM 0 HA VAL A 61 -7.990 -5.613 2.277 1.00 74.40 H new ATOM 0 HB VAL A 61 -7.418 -7.209 4.807 1.00 34.40 H new ATOM 0 HG11 VAL A 61 -9.864 -7.475 4.894 1.00 63.30 H new ATOM 0 HG12 VAL A 61 -9.380 -5.764 4.978 1.00 63.30 H new ATOM 0 HG13 VAL A 61 -10.024 -6.434 3.460 1.00 63.30 H new ATOM 0 HG21 VAL A 61 -8.489 -9.102 3.651 1.00 32.40 H new ATOM 0 HG22 VAL A 61 -8.589 -8.131 2.163 1.00 32.40 H new ATOM 0 HG23 VAL A 61 -7.000 -8.581 2.827 1.00 32.40 H new ATOM 995 N GLN A 62 -6.193 -4.680 4.889 1.00 71.30 N ATOM 996 CA GLN A 62 -5.953 -3.583 5.820 1.00 62.10 C ATOM 997 C GLN A 62 -5.383 -2.366 5.099 1.00 24.40 C ATOM 998 O GLN A 62 -5.623 -1.226 5.498 1.00 62.00 O ATOM 999 CB GLN A 62 -4.995 -4.029 6.928 1.00 23.40 C ATOM 1000 CG GLN A 62 -5.119 -3.214 8.204 1.00 1.32 C ATOM 1001 CD GLN A 62 -4.271 -3.765 9.333 1.00 11.10 C ATOM 1002 OE1 GLN A 62 -3.160 -3.295 9.577 1.00 14.20 O ATOM 1003 NE2 GLN A 62 -4.792 -4.770 10.029 1.00 61.10 N ATOM 0 H GLN A 62 -5.517 -5.442 4.950 1.00 71.30 H new ATOM 0 HA GLN A 62 -6.908 -3.302 6.263 1.00 62.10 H new ATOM 0 HB2 GLN A 62 -5.181 -5.078 7.157 1.00 23.40 H new ATOM 0 HB3 GLN A 62 -3.971 -3.960 6.561 1.00 23.40 H new ATOM 0 HG2 GLN A 62 -4.824 -2.184 8.003 1.00 1.32 H new ATOM 0 HG3 GLN A 62 -6.163 -3.192 8.516 1.00 1.32 H new ATOM 0 HE21 GLN A 62 -5.717 -5.129 9.792 1.00 61.10 H new ATOM 0 HE22 GLN A 62 -4.267 -5.183 10.800 1.00 61.10 H new ATOM 1012 N TYR A 63 -4.625 -2.614 4.037 1.00 25.40 N ATOM 1013 CA TYR A 63 -4.019 -1.538 3.261 1.00 21.30 C ATOM 1014 C TYR A 63 -5.074 -0.775 2.465 1.00 12.10 C ATOM 1015 O TYR A 63 -4.980 0.441 2.297 1.00 74.50 O ATOM 1016 CB TYR A 63 -2.957 -2.099 2.314 1.00 60.30 C ATOM 1017 CG TYR A 63 -1.628 -2.370 2.984 1.00 63.10 C ATOM 1018 CD1 TYR A 63 -1.060 -1.437 3.843 1.00 64.10 C ATOM 1019 CD2 TYR A 63 -0.943 -3.556 2.757 1.00 1.51 C ATOM 1020 CE1 TYR A 63 0.154 -1.680 4.457 1.00 23.40 C ATOM 1021 CE2 TYR A 63 0.272 -3.806 3.366 1.00 71.30 C ATOM 1022 CZ TYR A 63 0.815 -2.865 4.216 1.00 13.00 C ATOM 1023 OH TYR A 63 2.024 -3.111 4.826 1.00 13.50 O ATOM 0 H TYR A 63 -4.415 -3.551 3.693 1.00 25.40 H new ATOM 0 HA TYR A 63 -3.547 -0.846 3.958 1.00 21.30 H new ATOM 0 HB2 TYR A 63 -3.328 -3.025 1.874 1.00 60.30 H new ATOM 0 HB3 TYR A 63 -2.805 -1.396 1.495 1.00 60.30 H new ATOM 0 HD1 TYR A 63 -1.575 -0.507 4.034 1.00 64.10 H new ATOM 0 HD2 TYR A 63 -1.367 -4.295 2.094 1.00 1.51 H new ATOM 0 HE1 TYR A 63 0.583 -0.945 5.122 1.00 23.40 H new ATOM 0 HE2 TYR A 63 0.793 -4.733 3.178 1.00 71.30 H new ATOM 0 HH TYR A 63 2.053 -2.653 5.692 1.00 13.50 H new ATOM 1033 N LEU A 64 -6.077 -1.497 1.976 1.00 23.10 N ATOM 1034 CA LEU A 64 -7.148 -0.888 1.196 1.00 60.40 C ATOM 1035 C LEU A 64 -8.091 -0.088 2.089 1.00 54.50 C ATOM 1036 O LEU A 64 -8.682 0.901 1.656 1.00 42.20 O ATOM 1037 CB LEU A 64 -7.931 -1.964 0.442 1.00 3.51 C ATOM 1038 CG LEU A 64 -7.326 -2.385 -0.900 1.00 32.50 C ATOM 1039 CD1 LEU A 64 -7.596 -3.857 -1.170 1.00 43.50 C ATOM 1040 CD2 LEU A 64 -7.881 -1.525 -2.026 1.00 62.20 C ATOM 0 H LEU A 64 -6.170 -2.504 2.106 1.00 23.10 H new ATOM 0 HA LEU A 64 -6.695 -0.205 0.478 1.00 60.40 H new ATOM 0 HB2 LEU A 64 -8.013 -2.845 1.078 1.00 3.51 H new ATOM 0 HB3 LEU A 64 -8.944 -1.600 0.269 1.00 3.51 H new ATOM 0 HG LEU A 64 -6.247 -2.238 -0.853 1.00 32.50 H new ATOM 0 HD11 LEU A 64 -7.158 -4.137 -2.128 1.00 43.50 H new ATOM 0 HD12 LEU A 64 -7.152 -4.460 -0.378 1.00 43.50 H new ATOM 0 HD13 LEU A 64 -8.672 -4.030 -1.198 1.00 43.50 H new ATOM 0 HD21 LEU A 64 -7.441 -1.837 -2.973 1.00 62.20 H new ATOM 0 HD22 LEU A 64 -8.964 -1.642 -2.073 1.00 62.20 H new ATOM 0 HD23 LEU A 64 -7.637 -0.479 -1.839 1.00 62.20 H new ATOM 1052 N ASP A 65 -8.231 -0.526 3.336 1.00 13.00 N ATOM 1053 CA ASP A 65 -9.105 0.149 4.289 1.00 73.40 C ATOM 1054 C ASP A 65 -8.533 1.504 4.694 1.00 35.20 C ATOM 1055 O ASP A 65 -9.275 2.433 5.011 1.00 11.50 O ATOM 1056 CB ASP A 65 -9.312 -0.722 5.529 1.00 33.50 C ATOM 1057 CG ASP A 65 -10.560 -1.566 5.441 1.00 71.20 C ATOM 1058 OD1 ASP A 65 -10.610 -2.468 4.579 1.00 33.10 O ATOM 1059 OD2 ASP A 65 -11.500 -1.324 6.234 1.00 44.10 O ATOM 0 H ASP A 65 -7.751 -1.345 3.710 1.00 13.00 H new ATOM 0 HA ASP A 65 -10.067 0.314 3.804 1.00 73.40 H new ATOM 0 HB2 ASP A 65 -8.447 -1.371 5.661 1.00 33.50 H new ATOM 0 HB3 ASP A 65 -9.370 -0.084 6.411 1.00 33.50 H new ATOM 1064 N ARG A 66 -7.208 1.610 4.684 1.00 63.30 N ATOM 1065 CA ARG A 66 -6.537 2.851 5.054 1.00 24.40 C ATOM 1066 C ARG A 66 -6.593 3.864 3.914 1.00 0.10 C ATOM 1067 O ARG A 66 -6.642 5.072 4.146 1.00 75.10 O ATOM 1068 CB ARG A 66 -5.081 2.575 5.436 1.00 0.22 C ATOM 1069 CG ARG A 66 -4.578 3.437 6.582 1.00 53.30 C ATOM 1070 CD ARG A 66 -5.025 2.889 7.928 1.00 74.40 C ATOM 1071 NE ARG A 66 -6.286 3.480 8.367 1.00 25.00 N ATOM 1072 CZ ARG A 66 -6.933 3.111 9.472 1.00 40.50 C ATOM 1073 NH1 ARG A 66 -6.439 2.155 10.250 1.00 54.40 N ATOM 1074 NH2 ARG A 66 -8.074 3.700 9.799 1.00 14.10 N ATOM 0 H ARG A 66 -6.578 0.851 4.424 1.00 63.30 H new ATOM 0 HA ARG A 66 -7.058 3.272 5.914 1.00 24.40 H new ATOM 0 HB2 ARG A 66 -4.979 1.525 5.710 1.00 0.22 H new ATOM 0 HB3 ARG A 66 -4.448 2.739 4.564 1.00 0.22 H new ATOM 0 HG2 ARG A 66 -3.490 3.486 6.551 1.00 53.30 H new ATOM 0 HG3 ARG A 66 -4.947 4.456 6.462 1.00 53.30 H new ATOM 0 HD2 ARG A 66 -5.136 1.807 7.860 1.00 74.40 H new ATOM 0 HD3 ARG A 66 -4.254 3.084 8.673 1.00 74.40 H new ATOM 0 HE ARG A 66 -6.695 4.218 7.795 1.00 25.00 H new ATOM 0 HH11 ARG A 66 -5.560 1.699 10.003 1.00 54.40 H new ATOM 0 HH12 ARG A 66 -6.938 1.876 11.095 1.00 54.40 H new ATOM 0 HH21 ARG A 66 -8.457 4.436 9.205 1.00 14.10 H new ATOM 0 HH22 ARG A 66 -8.570 3.418 10.645 1.00 14.10 H new ATOM 1088 N ALA A 67 -6.582 3.363 2.683 1.00 41.30 N ATOM 1089 CA ALA A 67 -6.628 4.225 1.507 1.00 51.30 C ATOM 1090 C ALA A 67 -8.002 4.869 1.347 1.00 43.30 C ATOM 1091 O ALA A 67 -8.124 5.969 0.809 1.00 3.14 O ATOM 1092 CB ALA A 67 -6.265 3.434 0.260 1.00 45.40 C ATOM 0 H ALA A 67 -6.542 2.366 2.474 1.00 41.30 H new ATOM 0 HA ALA A 67 -5.898 5.023 1.645 1.00 51.30 H new ATOM 0 HB1 ALA A 67 -6.303 4.089 -0.610 1.00 45.40 H new ATOM 0 HB2 ALA A 67 -5.258 3.030 0.366 1.00 45.40 H new ATOM 0 HB3 ALA A 67 -6.973 2.616 0.129 1.00 45.40 H new ATOM 1098 N GLU A 68 -9.035 4.175 1.814 1.00 5.52 N ATOM 1099 CA GLU A 68 -10.400 4.680 1.719 1.00 73.30 C ATOM 1100 C GLU A 68 -10.640 5.796 2.730 1.00 31.40 C ATOM 1101 O GLU A 68 -11.300 6.788 2.426 1.00 33.10 O ATOM 1102 CB GLU A 68 -11.400 3.546 1.943 1.00 41.20 C ATOM 1103 CG GLU A 68 -11.820 2.848 0.662 1.00 71.40 C ATOM 1104 CD GLU A 68 -13.280 2.429 0.681 1.00 12.20 C ATOM 1105 OE1 GLU A 68 -14.140 3.297 0.934 1.00 62.10 O ATOM 1106 OE2 GLU A 68 -13.560 1.236 0.443 1.00 4.11 O ATOM 0 H GLU A 68 -8.953 3.262 2.262 1.00 5.52 H new ATOM 0 HA GLU A 68 -10.542 5.088 0.718 1.00 73.30 H new ATOM 0 HB2 GLU A 68 -10.961 2.813 2.620 1.00 41.20 H new ATOM 0 HB3 GLU A 68 -12.286 3.945 2.437 1.00 41.20 H new ATOM 0 HG2 GLU A 68 -11.647 3.513 -0.184 1.00 71.40 H new ATOM 0 HG3 GLU A 68 -11.195 1.968 0.509 1.00 71.40 H new ATOM 1113 N LYS A 69 -10.100 5.627 3.933 1.00 41.20 N ATOM 1114 CA LYS A 69 -10.260 6.619 4.990 1.00 74.30 C ATOM 1115 C LYS A 69 -9.551 7.919 4.635 1.00 32.20 C ATOM 1116 O LYS A 69 -9.963 9.000 5.055 1.00 34.50 O ATOM 1117 CB LYS A 69 -9.732 6.073 6.315 1.00 22.30 C ATOM 1118 CG LYS A 69 -10.620 6.393 7.506 1.00 54.10 C ATOM 1119 CD LYS A 69 -11.840 5.495 7.542 1.00 32.20 C ATOM 1120 CE LYS A 69 -13.080 6.255 8.000 1.00 31.00 C ATOM 1121 NZ LYS A 69 -14.300 5.818 7.272 1.00 54.10 N ATOM 0 H LYS A 69 -9.548 4.812 4.200 1.00 41.20 H new ATOM 0 HA LYS A 69 -11.324 6.832 5.094 1.00 74.30 H new ATOM 0 HB2 LYS A 69 -9.623 4.991 6.234 1.00 22.30 H new ATOM 0 HB3 LYS A 69 -8.737 6.481 6.495 1.00 22.30 H new ATOM 0 HG2 LYS A 69 -10.051 6.274 8.428 1.00 54.10 H new ATOM 0 HG3 LYS A 69 -10.935 7.435 7.458 1.00 54.10 H new ATOM 0 HD2 LYS A 69 -12.014 5.076 6.551 1.00 32.20 H new ATOM 0 HD3 LYS A 69 -11.657 4.657 8.214 1.00 32.20 H new ATOM 0 HE2 LYS A 69 -13.223 6.105 9.070 1.00 31.00 H new ATOM 0 HE3 LYS A 69 -12.928 7.323 7.845 1.00 31.00 H new ATOM 0 HZ1 LYS A 69 -15.120 6.359 7.613 1.00 54.10 H new ATOM 0 HZ2 LYS A 69 -14.175 5.985 6.253 1.00 54.10 H new ATOM 0 HZ3 LYS A 69 -14.460 4.804 7.440 1.00 54.10 H new ATOM 1135 N LEU A 70 -8.475 7.808 3.862 1.00 24.30 N ATOM 1136 CA LEU A 70 -7.701 8.974 3.455 1.00 43.10 C ATOM 1137 C LEU A 70 -8.487 9.836 2.471 1.00 43.20 C ATOM 1138 O LEU A 70 -8.589 11.052 2.639 1.00 75.10 O ATOM 1139 CB LEU A 70 -6.377 8.540 2.824 1.00 3.41 C ATOM 1140 CG LEU A 70 -5.389 7.878 3.784 1.00 45.20 C ATOM 1141 CD1 LEU A 70 -4.459 6.938 3.030 1.00 20.30 C ATOM 1142 CD2 LEU A 70 -4.589 8.931 4.535 1.00 24.00 C ATOM 0 H LEU A 70 -8.120 6.921 3.505 1.00 24.30 H new ATOM 0 HA LEU A 70 -7.494 9.568 4.345 1.00 43.10 H new ATOM 0 HB2 LEU A 70 -6.590 7.846 2.011 1.00 3.41 H new ATOM 0 HB3 LEU A 70 -5.899 9.414 2.381 1.00 3.41 H new ATOM 0 HG LEU A 70 -5.954 7.293 4.509 1.00 45.20 H new ATOM 0 HD11 LEU A 70 -3.763 6.476 3.730 1.00 20.30 H new ATOM 0 HD12 LEU A 70 -5.046 6.163 2.537 1.00 20.30 H new ATOM 0 HD13 LEU A 70 -3.901 7.501 2.282 1.00 20.30 H new ATOM 0 HD21 LEU A 70 -3.891 8.442 5.214 1.00 24.00 H new ATOM 0 HD22 LEU A 70 -4.035 9.543 3.823 1.00 24.00 H new ATOM 0 HD23 LEU A 70 -5.267 9.564 5.107 1.00 24.00 H new ATOM 1154 N LYS A 71 -9.038 9.200 1.442 1.00 21.10 N ATOM 1155 CA LYS A 71 -9.811 9.910 0.429 1.00 23.50 C ATOM 1156 C LYS A 71 -11.110 10.455 1.013 1.00 73.20 C ATOM 1157 O LYS A 71 -11.600 11.501 0.588 1.00 42.30 O ATOM 1158 CB LYS A 71 -10.110 8.983 -0.749 1.00 54.40 C ATOM 1159 CG LYS A 71 -10.850 7.717 -0.350 1.00 70.40 C ATOM 1160 CD LYS A 71 -11.720 7.197 -1.487 1.00 44.30 C ATOM 1161 CE LYS A 71 -10.890 6.437 -2.513 1.00 45.20 C ATOM 1162 NZ LYS A 71 -10.610 7.265 -3.717 1.00 71.30 N ATOM 0 H LYS A 71 -8.964 8.194 1.288 1.00 21.10 H new ATOM 0 HA LYS A 71 -9.217 10.754 0.077 1.00 23.50 H new ATOM 0 HB2 LYS A 71 -10.703 9.524 -1.486 1.00 54.40 H new ATOM 0 HB3 LYS A 71 -9.173 8.709 -1.233 1.00 54.40 H new ATOM 0 HG2 LYS A 71 -10.131 6.950 -0.060 1.00 70.40 H new ATOM 0 HG3 LYS A 71 -11.472 7.917 0.523 1.00 70.40 H new ATOM 0 HD2 LYS A 71 -12.495 6.543 -1.086 1.00 44.30 H new ATOM 0 HD3 LYS A 71 -12.227 8.032 -1.972 1.00 44.30 H new ATOM 0 HE2 LYS A 71 -9.949 6.124 -2.060 1.00 45.20 H new ATOM 0 HE3 LYS A 71 -11.418 5.531 -2.809 1.00 45.20 H new ATOM 0 HZ1 LYS A 71 -9.921 6.775 -4.322 1.00 71.30 H new ATOM 0 HZ2 LYS A 71 -11.492 7.415 -4.248 1.00 71.30 H new ATOM 0 HZ3 LYS A 71 -10.222 8.184 -3.424 1.00 71.30 H new ATOM 1176 N ASP A 72 -11.660 9.739 1.987 1.00 14.30 N ATOM 1177 CA ASP A 72 -12.900 10.151 2.625 1.00 72.40 C ATOM 1178 C ASP A 72 -12.670 11.318 3.582 1.00 3.53 C ATOM 1179 O ASP A 72 -13.570 12.132 3.808 1.00 51.30 O ATOM 1180 CB ASP A 72 -13.530 8.973 3.378 1.00 35.50 C ATOM 1181 CG ASP A 72 -15.010 8.821 3.089 1.00 2.13 C ATOM 1182 OD1 ASP A 72 -15.350 8.370 1.976 1.00 40.00 O ATOM 1183 OD2 ASP A 72 -15.820 9.154 3.973 1.00 41.10 O ATOM 0 H ASP A 72 -11.266 8.871 2.350 1.00 14.30 H new ATOM 0 HA ASP A 72 -13.583 10.482 1.842 1.00 72.40 H new ATOM 0 HB2 ASP A 72 -13.014 8.053 3.103 1.00 35.50 H new ATOM 0 HB3 ASP A 72 -13.385 9.112 4.449 1.00 35.50 H new ATOM 1188 N TYR A 73 -11.470 11.389 4.145 1.00 43.20 N ATOM 1189 CA TYR A 73 -11.130 12.455 5.081 1.00 64.50 C ATOM 1190 C TYR A 73 -10.890 13.774 4.352 1.00 55.00 C ATOM 1191 O TYR A 73 -11.440 14.809 4.726 1.00 44.40 O ATOM 1192 CB TYR A 73 -9.891 12.070 5.888 1.00 0.32 C ATOM 1193 CG TYR A 73 -9.444 13.138 6.862 1.00 21.40 C ATOM 1194 CD1 TYR A 73 -8.777 14.273 6.420 1.00 54.50 C ATOM 1195 CD2 TYR A 73 -9.689 13.010 8.224 1.00 13.40 C ATOM 1196 CE1 TYR A 73 -8.368 15.251 7.307 1.00 21.40 C ATOM 1197 CE2 TYR A 73 -9.283 13.983 9.116 1.00 1.52 C ATOM 1198 CZ TYR A 73 -8.623 15.101 8.653 1.00 42.00 C ATOM 1199 OH TYR A 73 -8.217 16.073 9.538 1.00 42.20 O ATOM 0 H TYR A 73 -10.717 10.723 3.971 1.00 43.20 H new ATOM 0 HA TYR A 73 -11.973 12.591 5.759 1.00 64.50 H new ATOM 0 HB2 TYR A 73 -10.097 11.152 6.438 1.00 0.32 H new ATOM 0 HB3 TYR A 73 -9.074 11.852 5.201 1.00 0.32 H new ATOM 0 HD1 TYR A 73 -8.575 14.394 5.366 1.00 54.50 H new ATOM 0 HD2 TYR A 73 -10.205 12.135 8.591 1.00 13.40 H new ATOM 0 HE1 TYR A 73 -7.851 16.128 6.947 1.00 21.40 H new ATOM 0 HE2 TYR A 73 -9.482 13.868 10.171 1.00 1.52 H new ATOM 0 HH TYR A 73 -8.474 15.815 10.448 1.00 42.20 H new ATOM 1209 N LEU A 74 -10.060 13.733 3.316 1.00 4.33 N ATOM 1210 CA LEU A 74 -9.745 14.929 2.544 1.00 43.50 C ATOM 1211 C LEU A 74 -10.990 15.496 1.868 1.00 31.20 C ATOM 1212 O LEU A 74 -11.220 16.704 1.891 1.00 24.30 O ATOM 1213 CB LEU A 74 -8.676 14.618 1.494 1.00 41.10 C ATOM 1214 CG LEU A 74 -9.011 13.465 0.548 1.00 11.10 C ATOM 1215 CD1 LEU A 74 -9.770 13.974 -0.671 1.00 63.20 C ATOM 1216 CD2 LEU A 74 -7.741 12.741 0.125 1.00 64.40 C ATOM 0 H LEU A 74 -9.594 12.886 2.992 1.00 4.33 H new ATOM 0 HA LEU A 74 -9.361 15.680 3.235 1.00 43.50 H new ATOM 0 HB2 LEU A 74 -8.501 15.515 0.900 1.00 41.10 H new ATOM 0 HB3 LEU A 74 -7.742 14.387 2.006 1.00 41.10 H new ATOM 0 HG LEU A 74 -9.651 12.759 1.077 1.00 11.10 H new ATOM 0 HD11 LEU A 74 -9.999 13.138 -1.332 1.00 63.20 H new ATOM 0 HD12 LEU A 74 -10.698 14.448 -0.350 1.00 63.20 H new ATOM 0 HD13 LEU A 74 -9.157 14.701 -1.204 1.00 63.20 H new ATOM 0 HD21 LEU A 74 -7.996 11.923 -0.548 1.00 64.40 H new ATOM 0 HD22 LEU A 74 -7.078 13.439 -0.386 1.00 64.40 H new ATOM 0 HD23 LEU A 74 -7.239 12.343 1.006 1.00 64.40 H new ATOM 1228 N ARG A 75 -11.780 14.618 1.265 1.00 13.20 N ATOM 1229 CA ARG A 75 -13.000 15.038 0.582 1.00 63.20 C ATOM 1230 C ARG A 75 -13.980 15.690 1.558 1.00 61.20 C ATOM 1231 O ARG A 75 -14.620 16.689 1.233 1.00 11.50 O ATOM 1232 CB ARG A 75 -13.660 13.843 -0.108 1.00 23.40 C ATOM 1233 CG ARG A 75 -14.250 12.826 0.858 1.00 61.20 C ATOM 1234 CD ARG A 75 -14.970 11.707 0.119 1.00 22.20 C ATOM 1235 NE ARG A 75 -16.190 11.290 0.806 1.00 64.50 N ATOM 1236 CZ ARG A 75 -17.340 11.953 0.740 1.00 60.10 C ATOM 1237 NH1 ARG A 75 -17.430 13.067 0.023 1.00 53.40 N ATOM 1238 NH2 ARG A 75 -18.400 11.503 1.391 1.00 33.20 N ATOM 0 H ARG A 75 -11.601 13.614 1.234 1.00 13.20 H new ATOM 0 HA ARG A 75 -12.728 15.777 -0.171 1.00 63.20 H new ATOM 0 HB2 ARG A 75 -14.449 14.206 -0.766 1.00 23.40 H new ATOM 0 HB3 ARG A 75 -12.922 13.346 -0.738 1.00 23.40 H new ATOM 0 HG2 ARG A 75 -13.456 12.404 1.474 1.00 61.20 H new ATOM 0 HG3 ARG A 75 -14.946 13.325 1.533 1.00 61.20 H new ATOM 0 HD2 ARG A 75 -15.218 12.040 -0.889 1.00 22.20 H new ATOM 0 HD3 ARG A 75 -14.302 10.852 0.017 1.00 22.20 H new ATOM 0 HE ARG A 75 -16.157 10.440 1.369 1.00 64.50 H new ATOM 0 HH11 ARG A 75 -16.615 13.417 -0.480 1.00 53.40 H new ATOM 0 HH12 ARG A 75 -18.315 13.573 -0.025 1.00 53.40 H new ATOM 0 HH21 ARG A 75 -18.334 10.648 1.943 1.00 33.20 H new ATOM 0 HH22 ARG A 75 -19.283 12.011 1.341 1.00 33.20 H new ATOM 1252 N SER A 76 -14.080 15.117 2.752 1.00 23.10 N ATOM 1253 CA SER A 76 -14.980 15.643 3.774 1.00 13.40 C ATOM 1254 C SER A 76 -14.520 17.019 4.246 1.00 64.20 C ATOM 1255 O SER A 76 -15.300 17.976 4.245 1.00 63.40 O ATOM 1256 CB SER A 76 -15.050 14.682 4.962 1.00 3.32 C ATOM 1257 OG SER A 76 -13.810 14.599 5.629 1.00 33.40 O ATOM 0 H SER A 76 -13.552 14.292 3.036 1.00 23.10 H new ATOM 0 HA SER A 76 -15.973 15.742 3.335 1.00 13.40 H new ATOM 0 HB2 SER A 76 -15.818 15.017 5.659 1.00 3.32 H new ATOM 0 HB3 SER A 76 -15.345 13.692 4.614 1.00 3.32 H new ATOM 0 HG SER A 76 -13.095 14.896 5.028 1.00 33.40 H new