USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 146:sc= -11.3! (180deg=-16.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 111:sc= 0.624 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -4.42! K(o=-4.4!,f=-2.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.49! K(o=-4.5!,f=-0.35) USER MOD Single : A 35 GLN : amide:sc= -3.59 K(o=-3.6,f=-11!) USER MOD Single : A 42 TYR OH : rot -85:sc= 0.339 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -130:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -156:sc= 0.209 USER MOD Single : A 62 GLN : amide:sc= -11.5! C(o=-11!,f=-5.3!) USER MOD Single : A 64 SER OG : rot -38:sc= 1.16 USER MOD Single : A 67 ASN : amide:sc= -0.574 K(o=-0.57,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.761 10.037 3.807 1.00 4.10 N ATOM 73 CA GLU A 7 4.949 9.408 2.505 1.00 30.10 C ATOM 74 C GLU A 7 5.078 7.894 2.646 1.00 62.31 C ATOM 75 O GLU A 7 6.110 7.385 3.084 1.00 53.44 O ATOM 76 CB GLU A 7 6.191 9.974 1.815 1.00 14.30 C ATOM 77 CG GLU A 7 6.104 11.464 1.530 1.00 71.03 C ATOM 78 CD GLU A 7 6.576 11.821 0.134 1.00 61.43 C ATOM 79 OE1 GLU A 7 6.560 10.931 -0.742 1.00 33.55 O ATOM 80 OE2 GLU A 7 6.962 12.989 -0.083 1.00 63.43 O ATOM 0 HA GLU A 7 4.072 9.626 1.895 1.00 30.10 H new ATOM 0 HB2 GLU A 7 7.063 9.783 2.441 1.00 14.30 H new ATOM 0 HB3 GLU A 7 6.349 9.442 0.877 1.00 14.30 H new ATOM 0 HG2 GLU A 7 5.073 11.794 1.656 1.00 71.03 H new ATOM 0 HG3 GLU A 7 6.704 12.005 2.262 1.00 71.03 H new ATOM 85 N VAL A 8 4.022 7.178 2.270 1.00 52.32 N ATOM 86 CA VAL A 8 4.016 5.723 2.355 1.00 33.34 C ATOM 87 C VAL A 8 4.607 5.097 1.095 1.00 51.52 C ATOM 88 O VAL A 8 4.181 5.400 -0.020 1.00 73.54 O ATOM 89 CB VAL A 8 2.591 5.179 2.564 1.00 74.35 C ATOM 90 CG1 VAL A 8 1.883 5.005 1.229 1.00 72.10 C ATOM 91 CG2 VAL A 8 2.630 3.865 3.331 1.00 33.33 C ATOM 0 H VAL A 8 3.160 7.583 1.904 1.00 52.32 H new ATOM 0 HA VAL A 8 4.630 5.453 3.215 1.00 33.34 H new ATOM 0 HB VAL A 8 2.028 5.902 3.154 1.00 74.35 H new ATOM 0 HG11 VAL A 8 0.877 4.620 1.398 1.00 72.10 H new ATOM 0 HG12 VAL A 8 1.822 5.968 0.721 1.00 72.10 H new ATOM 0 HG13 VAL A 8 2.441 4.303 0.610 1.00 72.10 H new ATOM 0 HG21 VAL A 8 1.614 3.495 3.470 1.00 33.33 H new ATOM 0 HG22 VAL A 8 3.210 3.133 2.769 1.00 33.33 H new ATOM 0 HG23 VAL A 8 3.094 4.025 4.304 1.00 33.33 H new ATOM 101 N THR A 9 5.592 4.224 1.281 1.00 63.41 N ATOM 102 CA THR A 9 6.241 3.555 0.160 1.00 52.14 C ATOM 103 C THR A 9 6.227 2.042 0.340 1.00 33.44 C ATOM 104 O THR A 9 6.294 1.539 1.461 1.00 12.14 O ATOM 105 CB THR A 9 7.698 4.027 -0.007 1.00 42.23 C ATOM 106 OG1 THR A 9 8.551 3.311 0.894 1.00 62.21 O ATOM 107 CG2 THR A 9 7.817 5.522 0.255 1.00 61.42 C ATOM 0 H THR A 9 5.958 3.964 2.197 1.00 63.41 H new ATOM 0 HA THR A 9 5.676 3.817 -0.735 1.00 52.14 H new ATOM 0 HB THR A 9 8.005 3.829 -1.034 1.00 42.23 H new ATOM 0 HG1 THR A 9 9.476 3.615 0.781 1.00 62.21 H new ATOM 0 HG21 THR A 9 8.855 5.832 0.131 1.00 61.42 H new ATOM 0 HG22 THR A 9 7.189 6.066 -0.451 1.00 61.42 H new ATOM 0 HG23 THR A 9 7.492 5.740 1.272 1.00 61.42 H new ATOM 115 N MET A 10 6.139 1.320 -0.773 1.00 62.44 N ATOM 116 CA MET A 10 6.118 -0.138 -0.738 1.00 51.23 C ATOM 117 C MET A 10 7.435 -0.713 -1.249 1.00 21.41 C ATOM 118 O MET A 10 8.004 -0.220 -2.222 1.00 12.35 O ATOM 119 CB MET A 10 4.955 -0.672 -1.577 1.00 74.44 C ATOM 120 CG MET A 10 3.589 -0.253 -1.059 1.00 44.42 C ATOM 121 SD MET A 10 3.326 1.528 -1.159 1.00 5.22 S ATOM 122 CE MET A 10 3.335 1.971 0.577 1.00 21.35 C ATOM 0 H MET A 10 6.081 1.721 -1.709 1.00 62.44 H new ATOM 0 HA MET A 10 5.983 -0.450 0.298 1.00 51.23 H new ATOM 0 HB2 MET A 10 5.068 -0.323 -2.603 1.00 74.44 H new ATOM 0 HB3 MET A 10 5.006 -1.760 -1.603 1.00 74.44 H new ATOM 0 HG2 MET A 10 2.815 -0.764 -1.632 1.00 44.42 H new ATOM 0 HG3 MET A 10 3.483 -0.575 -0.023 1.00 44.42 H new ATOM 0 HE1 MET A 10 3.778 2.960 0.698 1.00 21.35 H new ATOM 0 HE2 MET A 10 2.313 1.982 0.955 1.00 21.35 H new ATOM 0 HE3 MET A 10 3.920 1.241 1.136 1.00 21.35 H new ATOM 130 N LYS A 11 7.915 -1.759 -0.586 1.00 62.45 N ATOM 131 CA LYS A 11 9.165 -2.404 -0.972 1.00 14.33 C ATOM 132 C LYS A 11 8.924 -3.849 -1.398 1.00 43.14 C ATOM 133 O LYS A 11 8.373 -4.646 -0.638 1.00 71.50 O ATOM 134 CB LYS A 11 10.164 -2.361 0.186 1.00 73.42 C ATOM 135 CG LYS A 11 11.442 -1.609 -0.140 1.00 2.32 C ATOM 136 CD LYS A 11 12.505 -1.827 0.924 1.00 42.01 C ATOM 137 CE LYS A 11 12.545 -0.676 1.918 1.00 24.03 C ATOM 138 NZ LYS A 11 13.905 -0.079 2.022 1.00 35.24 N ATOM 0 H LYS A 11 7.457 -2.179 0.223 1.00 62.45 H new ATOM 0 HA LYS A 11 9.579 -1.859 -1.820 1.00 14.33 H new ATOM 0 HB2 LYS A 11 9.688 -1.894 1.048 1.00 73.42 H new ATOM 0 HB3 LYS A 11 10.417 -3.381 0.475 1.00 73.42 H new ATOM 0 HG2 LYS A 11 11.822 -1.938 -1.107 1.00 2.32 H new ATOM 0 HG3 LYS A 11 11.226 -0.544 -0.227 1.00 2.32 H new ATOM 0 HD2 LYS A 11 12.306 -2.759 1.453 1.00 42.01 H new ATOM 0 HD3 LYS A 11 13.480 -1.933 0.449 1.00 42.01 H new ATOM 0 HE2 LYS A 11 11.834 0.092 1.613 1.00 24.03 H new ATOM 0 HE3 LYS A 11 12.229 -1.032 2.899 1.00 24.03 H new ATOM 0 HZ1 LYS A 11 13.890 0.702 2.709 1.00 35.24 H new ATOM 0 HZ2 LYS A 11 14.580 -0.805 2.337 1.00 35.24 H new ATOM 0 HZ3 LYS A 11 14.197 0.284 1.092 1.00 35.24 H new ATOM 148 N LYS A 12 9.341 -4.179 -2.614 1.00 31.45 N ATOM 149 CA LYS A 12 9.173 -5.529 -3.140 1.00 22.33 C ATOM 150 C LYS A 12 9.618 -6.571 -2.119 1.00 41.53 C ATOM 151 O LYS A 12 10.804 -6.686 -1.812 1.00 30.34 O ATOM 152 CB LYS A 12 9.971 -5.697 -4.436 1.00 45.32 C ATOM 153 CG LYS A 12 9.420 -6.774 -5.354 1.00 31.53 C ATOM 154 CD LYS A 12 9.434 -6.329 -6.807 1.00 30.30 C ATOM 155 CE LYS A 12 10.844 -6.342 -7.380 1.00 21.12 C ATOM 156 NZ LYS A 12 10.838 -6.459 -8.865 1.00 64.12 N ATOM 0 H LYS A 12 9.798 -3.531 -3.255 1.00 31.45 H new ATOM 0 HA LYS A 12 8.114 -5.680 -3.350 1.00 22.33 H new ATOM 0 HB2 LYS A 12 9.984 -4.747 -4.971 1.00 45.32 H new ATOM 0 HB3 LYS A 12 11.005 -5.937 -4.188 1.00 45.32 H new ATOM 0 HG2 LYS A 12 10.011 -7.683 -5.245 1.00 31.53 H new ATOM 0 HG3 LYS A 12 8.400 -7.019 -5.057 1.00 31.53 H new ATOM 0 HD2 LYS A 12 8.794 -6.986 -7.396 1.00 30.30 H new ATOM 0 HD3 LYS A 12 9.017 -5.325 -6.885 1.00 30.30 H new ATOM 0 HE2 LYS A 12 11.362 -5.428 -7.090 1.00 21.12 H new ATOM 0 HE3 LYS A 12 11.402 -7.175 -6.952 1.00 21.12 H new ATOM 0 HZ1 LYS A 12 11.817 -6.464 -9.217 1.00 64.12 H new ATOM 0 HZ2 LYS A 12 10.366 -7.343 -9.142 1.00 64.12 H new ATOM 0 HZ3 LYS A 12 10.327 -5.651 -9.275 1.00 64.12 H new ATOM 166 N GLY A 13 8.659 -7.328 -1.596 1.00 63.00 N ATOM 167 CA GLY A 13 8.973 -8.351 -0.615 1.00 60.21 C ATOM 168 C GLY A 13 8.792 -7.864 0.809 1.00 34.14 C ATOM 169 O GLY A 13 9.367 -8.424 1.742 1.00 34.22 O ATOM 0 H GLY A 13 7.670 -7.252 -1.834 1.00 63.00 H new ATOM 0 HA2 GLY A 13 8.335 -9.219 -0.783 1.00 60.21 H new ATOM 0 HA3 GLY A 13 10.003 -8.680 -0.755 1.00 60.21 H new ATOM 173 N ASP A 14 7.991 -6.818 0.977 1.00 10.13 N ATOM 174 CA ASP A 14 7.736 -6.254 2.298 1.00 73.31 C ATOM 175 C ASP A 14 6.292 -6.502 2.725 1.00 41.01 C ATOM 176 O ASP A 14 5.416 -6.720 1.887 1.00 44.40 O ATOM 177 CB ASP A 14 8.032 -4.754 2.302 1.00 71.22 C ATOM 178 CG ASP A 14 8.530 -4.266 3.649 1.00 70.21 C ATOM 179 OD1 ASP A 14 8.101 -4.828 4.678 1.00 52.44 O ATOM 180 OD2 ASP A 14 9.347 -3.322 3.673 1.00 44.31 O ATOM 0 H ASP A 14 7.507 -6.343 0.215 1.00 10.13 H new ATOM 0 HA ASP A 14 8.397 -6.748 3.010 1.00 73.31 H new ATOM 0 HB2 ASP A 14 8.779 -4.532 1.540 1.00 71.22 H new ATOM 0 HB3 ASP A 14 7.128 -4.207 2.032 1.00 71.22 H new ATOM 184 N ILE A 15 6.053 -6.468 4.031 1.00 61.54 N ATOM 185 CA ILE A 15 4.716 -6.689 4.568 1.00 64.35 C ATOM 186 C ILE A 15 4.141 -5.405 5.155 1.00 44.02 C ATOM 187 O ILE A 15 4.564 -4.953 6.220 1.00 13.50 O ATOM 188 CB ILE A 15 4.719 -7.781 5.655 1.00 4.04 C ATOM 189 CG1 ILE A 15 5.154 -9.122 5.060 1.00 72.21 C ATOM 190 CG2 ILE A 15 3.341 -7.900 6.289 1.00 42.14 C ATOM 191 CD1 ILE A 15 5.530 -10.152 6.102 1.00 22.13 C ATOM 0 H ILE A 15 6.767 -6.290 4.737 1.00 61.54 H new ATOM 0 HA ILE A 15 4.092 -7.017 3.737 1.00 64.35 H new ATOM 0 HB ILE A 15 5.432 -7.500 6.430 1.00 4.04 H new ATOM 0 HG12 ILE A 15 4.345 -9.517 4.446 1.00 72.21 H new ATOM 0 HG13 ILE A 15 6.005 -8.958 4.399 1.00 72.21 H new ATOM 0 HG21 ILE A 15 3.359 -8.675 7.055 1.00 42.14 H new ATOM 0 HG22 ILE A 15 3.066 -6.948 6.743 1.00 42.14 H new ATOM 0 HG23 ILE A 15 2.610 -8.162 5.524 1.00 42.14 H new ATOM 0 HD11 ILE A 15 5.828 -11.077 5.608 1.00 22.13 H new ATOM 0 HD12 ILE A 15 6.360 -9.777 6.701 1.00 22.13 H new ATOM 0 HD13 ILE A 15 4.674 -10.345 6.748 1.00 22.13 H new ATOM 202 N LEU A 16 3.173 -4.823 4.457 1.00 11.41 N ATOM 203 CA LEU A 16 2.537 -3.590 4.909 1.00 65.33 C ATOM 204 C LEU A 16 1.145 -3.870 5.468 1.00 51.33 C ATOM 205 O LEU A 16 0.312 -4.491 4.809 1.00 23.31 O ATOM 206 CB LEU A 16 2.445 -2.588 3.758 1.00 52.12 C ATOM 207 CG LEU A 16 3.523 -2.703 2.680 1.00 52.42 C ATOM 208 CD1 LEU A 16 2.949 -3.321 1.414 1.00 73.35 C ATOM 209 CD2 LEU A 16 4.128 -1.339 2.383 1.00 11.43 C ATOM 0 H LEU A 16 2.811 -5.185 3.575 1.00 11.41 H new ATOM 0 HA LEU A 16 3.149 -3.164 5.704 1.00 65.33 H new ATOM 0 HB2 LEU A 16 1.471 -2.700 3.282 1.00 52.12 H new ATOM 0 HB3 LEU A 16 2.482 -1.582 4.175 1.00 52.12 H new ATOM 0 HG LEU A 16 4.313 -3.355 3.052 1.00 52.42 H new ATOM 0 HD11 LEU A 16 3.731 -3.395 0.658 1.00 73.35 H new ATOM 0 HD12 LEU A 16 2.565 -4.316 1.637 1.00 73.35 H new ATOM 0 HD13 LEU A 16 2.139 -2.695 1.038 1.00 73.35 H new ATOM 0 HD21 LEU A 16 4.893 -1.440 1.613 1.00 11.43 H new ATOM 0 HD22 LEU A 16 3.348 -0.663 2.032 1.00 11.43 H new ATOM 0 HD23 LEU A 16 4.577 -0.935 3.290 1.00 11.43 H new ATOM 220 N THR A 17 0.899 -3.404 6.689 1.00 22.23 N ATOM 221 CA THR A 17 -0.391 -3.602 7.336 1.00 42.42 C ATOM 222 C THR A 17 -1.538 -3.322 6.373 1.00 24.24 C ATOM 223 O THR A 17 -1.707 -2.196 5.902 1.00 25.42 O ATOM 224 CB THR A 17 -0.543 -2.697 8.574 1.00 71.12 C ATOM 225 OG1 THR A 17 0.478 -3.001 9.531 1.00 24.30 O ATOM 226 CG2 THR A 17 -1.913 -2.878 9.212 1.00 73.23 C ATOM 0 H THR A 17 1.577 -2.887 7.249 1.00 22.23 H new ATOM 0 HA THR A 17 -0.430 -4.645 7.650 1.00 42.42 H new ATOM 0 HB THR A 17 -0.443 -1.660 8.253 1.00 71.12 H new ATOM 0 HG1 THR A 17 0.376 -2.421 10.314 1.00 24.30 H new ATOM 0 HG21 THR A 17 -1.997 -2.229 10.084 1.00 73.23 H new ATOM 0 HG22 THR A 17 -2.688 -2.618 8.490 1.00 73.23 H new ATOM 0 HG23 THR A 17 -2.037 -3.916 9.519 1.00 73.23 H new ATOM 234 N LEU A 18 -2.326 -4.352 6.084 1.00 21.01 N ATOM 235 CA LEU A 18 -3.460 -4.215 5.176 1.00 73.52 C ATOM 236 C LEU A 18 -4.461 -3.192 5.702 1.00 55.14 C ATOM 237 O LEU A 18 -5.521 -3.551 6.216 1.00 41.24 O ATOM 238 CB LEU A 18 -4.150 -5.568 4.984 1.00 61.33 C ATOM 239 CG LEU A 18 -5.127 -5.663 3.812 1.00 61.24 C ATOM 240 CD1 LEU A 18 -6.541 -5.336 4.267 1.00 71.12 C ATOM 241 CD2 LEU A 18 -4.700 -4.735 2.684 1.00 42.35 C ATOM 0 H LEU A 18 -2.201 -5.290 6.465 1.00 21.01 H new ATOM 0 HA LEU A 18 -3.083 -3.865 4.215 1.00 73.52 H new ATOM 0 HB2 LEU A 18 -3.381 -6.330 4.853 1.00 61.33 H new ATOM 0 HB3 LEU A 18 -4.688 -5.812 5.900 1.00 61.33 H new ATOM 0 HG LEU A 18 -5.115 -6.687 3.437 1.00 61.24 H new ATOM 0 HD11 LEU A 18 -7.222 -5.409 3.419 1.00 71.12 H new ATOM 0 HD12 LEU A 18 -6.847 -6.041 5.040 1.00 71.12 H new ATOM 0 HD13 LEU A 18 -6.569 -4.323 4.669 1.00 71.12 H new ATOM 0 HD21 LEU A 18 -5.407 -4.816 1.859 1.00 42.35 H new ATOM 0 HD22 LEU A 18 -4.681 -3.707 3.046 1.00 42.35 H new ATOM 0 HD23 LEU A 18 -3.705 -5.016 2.338 1.00 42.35 H new ATOM 252 N LEU A 19 -4.117 -1.916 5.569 1.00 51.34 N ATOM 253 CA LEU A 19 -4.986 -0.838 6.030 1.00 42.12 C ATOM 254 C LEU A 19 -6.303 -0.834 5.261 1.00 65.15 C ATOM 255 O LEU A 19 -6.544 -1.698 4.418 1.00 44.32 O ATOM 256 CB LEU A 19 -4.285 0.512 5.870 1.00 23.12 C ATOM 257 CG LEU A 19 -3.538 1.030 7.099 1.00 43.45 C ATOM 258 CD1 LEU A 19 -2.661 -0.062 7.690 1.00 54.02 C ATOM 259 CD2 LEU A 19 -2.703 2.251 6.740 1.00 52.03 C ATOM 0 H LEU A 19 -3.243 -1.602 5.146 1.00 51.34 H new ATOM 0 HA LEU A 19 -5.203 -1.005 7.085 1.00 42.12 H new ATOM 0 HB2 LEU A 19 -3.577 0.436 5.045 1.00 23.12 H new ATOM 0 HB3 LEU A 19 -5.030 1.254 5.583 1.00 23.12 H new ATOM 0 HG LEU A 19 -4.272 1.324 7.849 1.00 43.45 H new ATOM 0 HD11 LEU A 19 -2.137 0.325 8.564 1.00 54.02 H new ATOM 0 HD12 LEU A 19 -3.282 -0.908 7.985 1.00 54.02 H new ATOM 0 HD13 LEU A 19 -1.934 -0.387 6.946 1.00 54.02 H new ATOM 0 HD21 LEU A 19 -2.178 2.606 7.627 1.00 52.03 H new ATOM 0 HD22 LEU A 19 -1.977 1.983 5.972 1.00 52.03 H new ATOM 0 HD23 LEU A 19 -3.355 3.040 6.364 1.00 52.03 H new ATOM 270 N ASN A 20 -7.152 0.145 5.557 1.00 61.33 N ATOM 271 CA ASN A 20 -8.445 0.262 4.892 1.00 45.23 C ATOM 272 C ASN A 20 -8.310 0.020 3.392 1.00 50.32 C ATOM 273 O ASN A 20 -7.728 0.832 2.673 1.00 12.03 O ATOM 274 CB ASN A 20 -9.049 1.645 5.145 1.00 72.24 C ATOM 275 CG ASN A 20 -10.376 1.572 5.875 1.00 23.35 C ATOM 276 OD1 ASN A 20 -10.423 1.570 7.105 1.00 14.24 O ATOM 277 ND2 ASN A 20 -11.465 1.511 5.116 1.00 1.44 N ATOM 0 H ASN A 20 -6.968 0.868 6.252 1.00 61.33 H new ATOM 0 HA ASN A 20 -9.108 -0.498 5.306 1.00 45.23 H new ATOM 0 HB2 ASN A 20 -8.349 2.243 5.729 1.00 72.24 H new ATOM 0 HB3 ASN A 20 -9.189 2.157 4.193 1.00 72.24 H new ATOM 0 HD21 ASN A 20 -12.387 1.460 5.550 1.00 1.44 H new ATOM 0 HD22 ASN A 20 -11.379 1.515 4.100 1.00 1.44 H new ATOM 283 N SER A 21 -8.851 -1.101 2.928 1.00 11.35 N ATOM 284 CA SER A 21 -8.787 -1.452 1.513 1.00 44.51 C ATOM 285 C SER A 21 -10.080 -1.067 0.800 1.00 31.22 C ATOM 286 O SER A 21 -10.361 -1.541 -0.302 1.00 61.31 O ATOM 287 CB SER A 21 -8.527 -2.950 1.349 1.00 10.13 C ATOM 288 OG SER A 21 -9.693 -3.625 0.912 1.00 71.22 O ATOM 0 H SER A 21 -9.339 -1.782 3.510 1.00 11.35 H new ATOM 0 HA SER A 21 -7.964 -0.897 1.062 1.00 44.51 H new ATOM 0 HB2 SER A 21 -7.722 -3.106 0.631 1.00 10.13 H new ATOM 0 HB3 SER A 21 -8.194 -3.370 2.298 1.00 10.13 H new ATOM 0 HG SER A 21 -9.568 -3.929 -0.011 1.00 71.22 H new ATOM 293 N THR A 22 -10.866 -0.203 1.436 1.00 35.20 N ATOM 294 CA THR A 22 -12.130 0.245 0.865 1.00 72.20 C ATOM 295 C THR A 22 -12.044 0.337 -0.654 1.00 61.13 C ATOM 296 O THR A 22 -12.892 -0.198 -1.366 1.00 30.11 O ATOM 297 CB THR A 22 -12.546 1.616 1.429 1.00 35.05 C ATOM 298 OG1 THR A 22 -13.583 2.184 0.621 1.00 21.51 O ATOM 299 CG2 THR A 22 -11.358 2.565 1.477 1.00 15.01 C ATOM 0 H THR A 22 -10.649 0.200 2.347 1.00 35.20 H new ATOM 0 HA THR A 22 -12.882 -0.495 1.139 1.00 72.20 H new ATOM 0 HB THR A 22 -12.915 1.469 2.444 1.00 35.05 H new ATOM 0 HG1 THR A 22 -13.843 3.055 0.987 1.00 21.51 H new ATOM 0 HG21 THR A 22 -11.677 3.527 1.879 1.00 15.01 H new ATOM 0 HG22 THR A 22 -10.582 2.144 2.116 1.00 15.01 H new ATOM 0 HG23 THR A 22 -10.963 2.705 0.471 1.00 15.01 H new ATOM 307 N ASN A 23 -11.014 1.018 -1.144 1.00 54.51 N ATOM 308 CA ASN A 23 -10.818 1.180 -2.580 1.00 12.44 C ATOM 309 C ASN A 23 -10.479 -0.154 -3.237 1.00 72.30 C ATOM 310 O ASN A 23 -9.869 -1.027 -2.618 1.00 24.10 O ATOM 311 CB ASN A 23 -9.704 2.193 -2.853 1.00 14.23 C ATOM 312 CG ASN A 23 -10.239 3.521 -3.354 1.00 41.14 C ATOM 313 OD1 ASN A 23 -11.000 4.197 -2.661 1.00 34.35 O ATOM 314 ND2 ASN A 23 -9.844 3.900 -4.564 1.00 75.43 N ATOM 0 H ASN A 23 -10.302 1.467 -0.568 1.00 54.51 H new ATOM 0 HA ASN A 23 -11.749 1.550 -3.009 1.00 12.44 H new ATOM 0 HB2 ASN A 23 -9.133 2.356 -1.939 1.00 14.23 H new ATOM 0 HB3 ASN A 23 -9.015 1.781 -3.590 1.00 14.23 H new ATOM 0 HD21 ASN A 23 -10.172 4.783 -4.954 1.00 75.43 H new ATOM 0 HD22 ASN A 23 -9.212 3.308 -5.103 1.00 75.43 H new ATOM 320 N LYS A 24 -10.878 -0.306 -4.495 1.00 75.41 N ATOM 321 CA LYS A 24 -10.616 -1.533 -5.239 1.00 40.12 C ATOM 322 C LYS A 24 -9.258 -1.471 -5.931 1.00 42.43 C ATOM 323 O LYS A 24 -8.436 -2.377 -5.789 1.00 40.22 O ATOM 324 CB LYS A 24 -11.717 -1.771 -6.274 1.00 40.21 C ATOM 325 CG LYS A 24 -12.670 -2.893 -5.901 1.00 43.12 C ATOM 326 CD LYS A 24 -13.592 -3.249 -7.055 1.00 53.12 C ATOM 327 CE LYS A 24 -14.472 -4.443 -6.718 1.00 42.00 C ATOM 328 NZ LYS A 24 -14.531 -5.422 -7.838 1.00 1.03 N ATOM 0 H LYS A 24 -11.385 0.406 -5.021 1.00 75.41 H new ATOM 0 HA LYS A 24 -10.606 -2.362 -4.531 1.00 40.12 H new ATOM 0 HB2 LYS A 24 -12.286 -0.851 -6.405 1.00 40.21 H new ATOM 0 HB3 LYS A 24 -11.257 -2.001 -7.235 1.00 40.21 H new ATOM 0 HG2 LYS A 24 -12.099 -3.773 -5.606 1.00 43.12 H new ATOM 0 HG3 LYS A 24 -13.265 -2.594 -5.038 1.00 43.12 H new ATOM 0 HD2 LYS A 24 -14.219 -2.391 -7.299 1.00 53.12 H new ATOM 0 HD3 LYS A 24 -12.998 -3.472 -7.941 1.00 53.12 H new ATOM 0 HE2 LYS A 24 -14.089 -4.936 -5.825 1.00 42.00 H new ATOM 0 HE3 LYS A 24 -15.479 -4.097 -6.484 1.00 42.00 H new ATOM 0 HZ1 LYS A 24 -15.140 -6.221 -7.569 1.00 1.03 H new ATOM 0 HZ2 LYS A 24 -14.920 -4.959 -8.684 1.00 1.03 H new ATOM 0 HZ3 LYS A 24 -13.573 -5.771 -8.045 1.00 1.03 H new ATOM 338 N ASP A 25 -9.028 -0.395 -6.676 1.00 60.42 N ATOM 339 CA ASP A 25 -7.768 -0.214 -7.388 1.00 63.11 C ATOM 340 C ASP A 25 -6.706 0.384 -6.469 1.00 2.15 C ATOM 341 O ASP A 25 -5.546 0.524 -6.855 1.00 1.41 O ATOM 342 CB ASP A 25 -7.972 0.687 -8.607 1.00 13.15 C ATOM 343 CG ASP A 25 -8.566 -0.059 -9.785 1.00 33.25 C ATOM 344 OD1 ASP A 25 -7.804 -0.749 -10.497 1.00 42.53 O ATOM 345 OD2 ASP A 25 -9.792 0.045 -9.997 1.00 50.33 O ATOM 0 H ASP A 25 -9.697 0.364 -6.802 1.00 60.42 H new ATOM 0 HA ASP A 25 -7.424 -1.192 -7.723 1.00 63.11 H new ATOM 0 HB2 ASP A 25 -8.627 1.515 -8.337 1.00 13.15 H new ATOM 0 HB3 ASP A 25 -7.015 1.120 -8.900 1.00 13.15 H new ATOM 349 N TRP A 26 -7.113 0.736 -5.255 1.00 75.51 N ATOM 350 CA TRP A 26 -6.196 1.319 -4.282 1.00 4.24 C ATOM 351 C TRP A 26 -6.427 0.730 -2.895 1.00 2.42 C ATOM 352 O TRP A 26 -7.488 0.920 -2.299 1.00 72.24 O ATOM 353 CB TRP A 26 -6.368 2.839 -4.239 1.00 55.51 C ATOM 354 CG TRP A 26 -5.906 3.524 -5.490 1.00 21.12 C ATOM 355 CD1 TRP A 26 -6.616 3.688 -6.644 1.00 30.23 C ATOM 356 CD2 TRP A 26 -4.630 4.135 -5.711 1.00 43.30 C ATOM 357 NE1 TRP A 26 -5.859 4.365 -7.570 1.00 31.42 N ATOM 358 CE2 TRP A 26 -4.637 4.651 -7.022 1.00 22.34 C ATOM 359 CE3 TRP A 26 -3.484 4.300 -4.929 1.00 20.21 C ATOM 360 CZ2 TRP A 26 -3.542 5.316 -7.566 1.00 53.42 C ATOM 361 CZ3 TRP A 26 -2.398 4.961 -5.471 1.00 73.01 C ATOM 362 CH2 TRP A 26 -2.433 5.463 -6.778 1.00 73.21 C ATOM 0 H TRP A 26 -8.071 0.628 -4.921 1.00 75.51 H new ATOM 0 HA TRP A 26 -5.178 1.083 -4.591 1.00 4.24 H new ATOM 0 HB2 TRP A 26 -7.419 3.074 -4.071 1.00 55.51 H new ATOM 0 HB3 TRP A 26 -5.813 3.237 -3.389 1.00 55.51 H new ATOM 0 HD1 TRP A 26 -7.625 3.337 -6.806 1.00 30.23 H new ATOM 0 HE1 TRP A 26 -6.159 4.614 -8.513 1.00 31.42 H new ATOM 0 HE3 TRP A 26 -3.447 3.918 -3.919 1.00 20.21 H new ATOM 0 HZ2 TRP A 26 -3.567 5.702 -8.574 1.00 53.42 H new ATOM 0 HZ3 TRP A 26 -1.506 5.093 -4.876 1.00 73.01 H new ATOM 0 HH2 TRP A 26 -1.568 5.976 -7.172 1.00 73.21 H new ATOM 372 N TRP A 27 -5.430 0.016 -2.387 1.00 52.32 N ATOM 373 CA TRP A 27 -5.525 -0.600 -1.069 1.00 71.55 C ATOM 374 C TRP A 27 -4.638 0.125 -0.063 1.00 15.02 C ATOM 375 O TRP A 27 -3.410 0.069 -0.148 1.00 61.22 O ATOM 376 CB TRP A 27 -5.130 -2.077 -1.144 1.00 3.53 C ATOM 377 CG TRP A 27 -6.303 -2.997 -1.291 1.00 33.24 C ATOM 378 CD1 TRP A 27 -7.568 -2.659 -1.681 1.00 54.25 C ATOM 379 CD2 TRP A 27 -6.320 -4.409 -1.051 1.00 3.40 C ATOM 380 NE1 TRP A 27 -8.369 -3.775 -1.695 1.00 2.22 N ATOM 381 CE2 TRP A 27 -7.628 -4.861 -1.314 1.00 52.11 C ATOM 382 CE3 TRP A 27 -5.357 -5.334 -0.640 1.00 73.32 C ATOM 383 CZ2 TRP A 27 -7.994 -6.197 -1.179 1.00 71.11 C ATOM 384 CZ3 TRP A 27 -5.723 -6.661 -0.505 1.00 14.43 C ATOM 385 CH2 TRP A 27 -7.031 -7.082 -0.775 1.00 64.32 C ATOM 0 H TRP A 27 -4.546 -0.151 -2.868 1.00 52.32 H new ATOM 0 HA TRP A 27 -6.559 -0.524 -0.734 1.00 71.55 H new ATOM 0 HB2 TRP A 27 -4.455 -2.223 -1.987 1.00 3.53 H new ATOM 0 HB3 TRP A 27 -4.578 -2.345 -0.243 1.00 3.53 H new ATOM 0 HD1 TRP A 27 -7.891 -1.661 -1.940 1.00 54.25 H new ATOM 0 HE1 TRP A 27 -9.357 -3.792 -1.948 1.00 2.22 H new ATOM 0 HE3 TRP A 27 -4.345 -5.019 -0.432 1.00 73.32 H new ATOM 0 HZ2 TRP A 27 -9.002 -6.524 -1.386 1.00 71.11 H new ATOM 0 HZ3 TRP A 27 -4.988 -7.385 -0.186 1.00 14.43 H new ATOM 0 HH2 TRP A 27 -7.285 -8.126 -0.662 1.00 64.32 H new ATOM 395 N LYS A 28 -5.265 0.807 0.890 1.00 14.11 N ATOM 396 CA LYS A 28 -4.533 1.543 1.914 1.00 2.14 C ATOM 397 C LYS A 28 -3.612 0.614 2.697 1.00 20.23 C ATOM 398 O LYS A 28 -4.021 -0.465 3.128 1.00 32.04 O ATOM 399 CB LYS A 28 -5.507 2.236 2.868 1.00 24.43 C ATOM 400 CG LYS A 28 -4.928 3.468 3.540 1.00 44.44 C ATOM 401 CD LYS A 28 -5.746 3.878 4.753 1.00 44.14 C ATOM 402 CE LYS A 28 -5.371 5.272 5.234 1.00 71.31 C ATOM 403 NZ LYS A 28 -6.384 5.825 6.175 1.00 5.14 N ATOM 0 H LYS A 28 -6.280 0.865 0.974 1.00 14.11 H new ATOM 0 HA LYS A 28 -3.923 2.297 1.417 1.00 2.14 H new ATOM 0 HB2 LYS A 28 -6.402 2.521 2.316 1.00 24.43 H new ATOM 0 HB3 LYS A 28 -5.818 1.527 3.635 1.00 24.43 H new ATOM 0 HG2 LYS A 28 -3.900 3.269 3.844 1.00 44.44 H new ATOM 0 HG3 LYS A 28 -4.896 4.291 2.827 1.00 44.44 H new ATOM 0 HD2 LYS A 28 -6.807 3.851 4.504 1.00 44.14 H new ATOM 0 HD3 LYS A 28 -5.590 3.160 5.558 1.00 44.14 H new ATOM 0 HE2 LYS A 28 -4.399 5.237 5.726 1.00 71.31 H new ATOM 0 HE3 LYS A 28 -5.270 5.937 4.376 1.00 71.31 H new ATOM 0 HZ1 LYS A 28 -6.092 6.776 6.480 1.00 5.14 H new ATOM 0 HZ2 LYS A 28 -7.306 5.882 5.698 1.00 5.14 H new ATOM 0 HZ3 LYS A 28 -6.462 5.204 7.006 1.00 5.14 H new ATOM 413 N VAL A 29 -2.366 1.039 2.880 1.00 52.02 N ATOM 414 CA VAL A 29 -1.387 0.246 3.615 1.00 4.10 C ATOM 415 C VAL A 29 -0.441 1.139 4.409 1.00 1.31 C ATOM 416 O VAL A 29 -0.010 2.187 3.928 1.00 61.10 O ATOM 417 CB VAL A 29 -0.561 -0.644 2.667 1.00 43.22 C ATOM 418 CG1 VAL A 29 -1.474 -1.533 1.838 1.00 21.53 C ATOM 419 CG2 VAL A 29 0.323 0.210 1.771 1.00 32.12 C ATOM 0 H VAL A 29 -2.010 1.928 2.529 1.00 52.02 H new ATOM 0 HA VAL A 29 -1.946 -0.389 4.303 1.00 4.10 H new ATOM 0 HB VAL A 29 0.083 -1.286 3.268 1.00 43.22 H new ATOM 0 HG11 VAL A 29 -0.872 -2.154 1.175 1.00 21.53 H new ATOM 0 HG12 VAL A 29 -2.060 -2.171 2.500 1.00 21.53 H new ATOM 0 HG13 VAL A 29 -2.145 -0.912 1.244 1.00 21.53 H new ATOM 0 HG21 VAL A 29 0.900 -0.435 1.108 1.00 32.12 H new ATOM 0 HG22 VAL A 29 -0.300 0.879 1.176 1.00 32.12 H new ATOM 0 HG23 VAL A 29 1.003 0.799 2.386 1.00 32.12 H new ATOM 429 N GLU A 30 -0.122 0.717 5.629 1.00 3.44 N ATOM 430 CA GLU A 30 0.773 1.480 6.490 1.00 52.24 C ATOM 431 C GLU A 30 2.226 1.078 6.257 1.00 54.11 C ATOM 432 O GLU A 30 2.507 0.027 5.681 1.00 14.24 O ATOM 433 CB GLU A 30 0.405 1.270 7.961 1.00 23.24 C ATOM 434 CG GLU A 30 1.467 1.758 8.930 1.00 42.43 C ATOM 435 CD GLU A 30 1.097 1.504 10.379 1.00 75.42 C ATOM 436 OE1 GLU A 30 -0.114 1.460 10.682 1.00 43.11 O ATOM 437 OE2 GLU A 30 2.017 1.346 11.208 1.00 11.03 O ATOM 0 H GLU A 30 -0.470 -0.148 6.042 1.00 3.44 H new ATOM 0 HA GLU A 30 0.661 2.535 6.242 1.00 52.24 H new ATOM 0 HB2 GLU A 30 -0.531 1.788 8.170 1.00 23.24 H new ATOM 0 HB3 GLU A 30 0.227 0.209 8.134 1.00 23.24 H new ATOM 0 HG2 GLU A 30 2.412 1.262 8.708 1.00 42.43 H new ATOM 0 HG3 GLU A 30 1.626 2.826 8.781 1.00 42.43 H new ATOM 442 N VAL A 31 3.149 1.923 6.708 1.00 62.11 N ATOM 443 CA VAL A 31 4.573 1.657 6.548 1.00 52.34 C ATOM 444 C VAL A 31 5.356 2.101 7.780 1.00 30.14 C ATOM 445 O VAL A 31 5.940 3.183 7.799 1.00 4.30 O ATOM 446 CB VAL A 31 5.142 2.370 5.308 1.00 33.25 C ATOM 447 CG1 VAL A 31 6.662 2.305 5.305 1.00 4.51 C ATOM 448 CG2 VAL A 31 4.572 1.760 4.036 1.00 34.44 C ATOM 0 H VAL A 31 2.935 2.798 7.187 1.00 62.11 H new ATOM 0 HA VAL A 31 4.681 0.580 6.420 1.00 52.34 H new ATOM 0 HB VAL A 31 4.847 3.419 5.346 1.00 33.25 H new ATOM 0 HG11 VAL A 31 7.046 2.814 4.421 1.00 4.51 H new ATOM 0 HG12 VAL A 31 7.049 2.791 6.201 1.00 4.51 H new ATOM 0 HG13 VAL A 31 6.982 1.263 5.291 1.00 4.51 H new ATOM 0 HG21 VAL A 31 4.984 2.276 3.169 1.00 34.44 H new ATOM 0 HG22 VAL A 31 4.836 0.703 3.989 1.00 34.44 H new ATOM 0 HG23 VAL A 31 3.487 1.863 4.037 1.00 34.44 H new ATOM 458 N ASN A 32 5.363 1.256 8.806 1.00 54.21 N ATOM 459 CA ASN A 32 6.074 1.562 10.042 1.00 31.22 C ATOM 460 C ASN A 32 5.402 2.711 10.786 1.00 1.32 C ATOM 461 O ASN A 32 4.767 2.508 11.820 1.00 43.44 O ATOM 462 CB ASN A 32 7.532 1.916 9.742 1.00 3.11 C ATOM 463 CG ASN A 32 8.205 0.890 8.852 1.00 32.20 C ATOM 464 OD1 ASN A 32 8.666 -0.149 9.323 1.00 75.42 O ATOM 465 ND2 ASN A 32 8.265 1.178 7.556 1.00 44.34 N ATOM 0 H ASN A 32 4.885 0.355 8.806 1.00 54.21 H new ATOM 0 HA ASN A 32 6.046 0.676 10.677 1.00 31.22 H new ATOM 0 HB2 ASN A 32 7.574 2.893 9.261 1.00 3.11 H new ATOM 0 HB3 ASN A 32 8.083 1.998 10.679 1.00 3.11 H new ATOM 0 HD21 ASN A 32 8.707 0.525 6.908 1.00 44.34 H new ATOM 0 HD22 ASN A 32 7.869 2.052 7.209 1.00 44.34 H new ATOM 471 N ASP A 33 5.547 3.920 10.252 1.00 34.22 N ATOM 472 CA ASP A 33 4.953 5.102 10.864 1.00 53.30 C ATOM 473 C ASP A 33 4.284 5.981 9.812 1.00 20.21 C ATOM 474 O ASP A 33 3.729 7.033 10.128 1.00 60.04 O ATOM 475 CB ASP A 33 6.018 5.904 11.614 1.00 4.15 C ATOM 476 CG ASP A 33 5.420 6.819 12.665 1.00 73.14 C ATOM 477 OD1 ASP A 33 4.234 7.182 12.531 1.00 11.35 O ATOM 478 OD2 ASP A 33 6.140 7.169 13.624 1.00 60.20 O ATOM 0 H ASP A 33 6.071 4.106 9.397 1.00 34.22 H new ATOM 0 HA ASP A 33 4.193 4.771 11.572 1.00 53.30 H new ATOM 0 HB2 ASP A 33 6.718 5.217 12.090 1.00 4.15 H new ATOM 0 HB3 ASP A 33 6.590 6.499 10.902 1.00 4.15 H new ATOM 482 N ARG A 34 4.341 5.541 8.559 1.00 2.25 N ATOM 483 CA ARG A 34 3.743 6.289 7.459 1.00 13.11 C ATOM 484 C ARG A 34 2.724 5.434 6.711 1.00 15.12 C ATOM 485 O ARG A 34 3.033 4.327 6.273 1.00 3.02 O ATOM 486 CB ARG A 34 4.826 6.772 6.494 1.00 14.32 C ATOM 487 CG ARG A 34 6.203 6.884 7.129 1.00 63.50 C ATOM 488 CD ARG A 34 7.296 6.988 6.076 1.00 23.44 C ATOM 489 NE ARG A 34 8.009 8.260 6.153 1.00 32.50 N ATOM 490 CZ ARG A 34 9.217 8.457 5.635 1.00 65.04 C ATOM 491 NH1 ARG A 34 9.842 7.471 5.008 1.00 14.21 N ATOM 492 NH2 ARG A 34 9.802 9.643 5.747 1.00 4.14 N ATOM 0 H ARG A 34 4.795 4.671 8.280 1.00 2.25 H new ATOM 0 HA ARG A 34 3.228 7.154 7.878 1.00 13.11 H new ATOM 0 HB2 ARG A 34 4.880 6.086 5.649 1.00 14.32 H new ATOM 0 HB3 ARG A 34 4.538 7.745 6.096 1.00 14.32 H new ATOM 0 HG2 ARG A 34 6.236 7.760 7.777 1.00 63.50 H new ATOM 0 HG3 ARG A 34 6.386 6.014 7.760 1.00 63.50 H new ATOM 0 HD2 ARG A 34 8.002 6.168 6.204 1.00 23.44 H new ATOM 0 HD3 ARG A 34 6.856 6.878 5.085 1.00 23.44 H new ATOM 0 HE ARG A 34 7.556 9.039 6.630 1.00 32.50 H new ATOM 0 HH11 ARG A 34 9.396 6.558 4.922 1.00 14.21 H new ATOM 0 HH12 ARG A 34 10.769 7.625 4.612 1.00 14.21 H new ATOM 0 HH21 ARG A 34 9.325 10.404 6.231 1.00 4.14 H new ATOM 0 HH22 ARG A 34 10.729 9.794 5.349 1.00 4.14 H new ATOM 503 N GLN A 35 1.510 5.956 6.570 1.00 51.41 N ATOM 504 CA GLN A 35 0.446 5.240 5.876 1.00 52.22 C ATOM 505 C GLN A 35 -0.139 6.090 4.753 1.00 64.43 C ATOM 506 O GLN A 35 -0.057 7.317 4.782 1.00 4.14 O ATOM 507 CB GLN A 35 -0.656 4.844 6.860 1.00 62.03 C ATOM 508 CG GLN A 35 -0.297 5.104 8.315 1.00 14.04 C ATOM 509 CD GLN A 35 -1.291 4.492 9.280 1.00 25.12 C ATOM 510 OE1 GLN A 35 -1.207 3.309 9.610 1.00 75.00 O ATOM 511 NE2 GLN A 35 -2.243 5.296 9.740 1.00 14.35 N ATOM 0 H GLN A 35 1.239 6.872 6.927 1.00 51.41 H new ATOM 0 HA GLN A 35 0.874 4.338 5.438 1.00 52.22 H new ATOM 0 HB2 GLN A 35 -1.565 5.394 6.615 1.00 62.03 H new ATOM 0 HB3 GLN A 35 -0.881 3.785 6.734 1.00 62.03 H new ATOM 0 HG2 GLN A 35 0.695 4.701 8.518 1.00 14.04 H new ATOM 0 HG3 GLN A 35 -0.246 6.179 8.486 1.00 14.04 H new ATOM 0 HE21 GLN A 35 -2.276 6.271 9.441 1.00 14.35 H new ATOM 0 HE22 GLN A 35 -2.941 4.939 10.393 1.00 14.35 H new ATOM 518 N GLY A 36 -0.730 5.426 3.764 1.00 4.54 N ATOM 519 CA GLY A 36 -1.321 6.137 2.644 1.00 13.04 C ATOM 520 C GLY A 36 -1.999 5.207 1.659 1.00 71.55 C ATOM 521 O GLY A 36 -1.930 3.985 1.800 1.00 44.21 O ATOM 0 H GLY A 36 -0.810 4.410 3.718 1.00 4.54 H new ATOM 0 HA2 GLY A 36 -2.048 6.857 3.018 1.00 13.04 H new ATOM 0 HA3 GLY A 36 -0.546 6.705 2.129 1.00 13.04 H new ATOM 525 N PHE A 37 -2.658 5.783 0.660 1.00 30.41 N ATOM 526 CA PHE A 37 -3.355 4.996 -0.351 1.00 31.04 C ATOM 527 C PHE A 37 -2.390 4.529 -1.437 1.00 20.15 C ATOM 528 O PHE A 37 -1.626 5.322 -1.988 1.00 41.25 O ATOM 529 CB PHE A 37 -4.486 5.815 -0.975 1.00 1.13 C ATOM 530 CG PHE A 37 -5.684 5.964 -0.081 1.00 14.35 C ATOM 531 CD1 PHE A 37 -6.706 5.030 -0.109 1.00 33.55 C ATOM 532 CD2 PHE A 37 -5.786 7.038 0.789 1.00 73.24 C ATOM 533 CE1 PHE A 37 -7.809 5.165 0.712 1.00 31.31 C ATOM 534 CE2 PHE A 37 -6.886 7.177 1.613 1.00 23.04 C ATOM 535 CZ PHE A 37 -7.899 6.239 1.575 1.00 64.02 C ATOM 0 H PHE A 37 -2.724 6.792 0.528 1.00 30.41 H new ATOM 0 HA PHE A 37 -3.778 4.118 0.136 1.00 31.04 H new ATOM 0 HB2 PHE A 37 -4.108 6.805 -1.231 1.00 1.13 H new ATOM 0 HB3 PHE A 37 -4.795 5.341 -1.907 1.00 1.13 H new ATOM 0 HD1 PHE A 37 -6.640 4.186 -0.780 1.00 33.55 H new ATOM 0 HD2 PHE A 37 -4.997 7.774 0.823 1.00 73.24 H new ATOM 0 HE1 PHE A 37 -8.600 4.431 0.679 1.00 31.31 H new ATOM 0 HE2 PHE A 37 -6.954 8.019 2.286 1.00 23.04 H new ATOM 0 HZ PHE A 37 -8.760 6.345 2.219 1.00 64.02 H new ATOM 544 N VAL A 38 -2.432 3.235 -1.741 1.00 53.10 N ATOM 545 CA VAL A 38 -1.562 2.661 -2.761 1.00 1.11 C ATOM 546 C VAL A 38 -2.332 1.702 -3.662 1.00 1.20 C ATOM 547 O VAL A 38 -3.347 1.124 -3.272 1.00 73.52 O ATOM 548 CB VAL A 38 -0.374 1.913 -2.130 1.00 60.25 C ATOM 549 CG1 VAL A 38 0.640 2.899 -1.568 1.00 34.14 C ATOM 550 CG2 VAL A 38 -0.858 0.960 -1.047 1.00 1.01 C ATOM 0 H VAL A 38 -3.059 2.565 -1.296 1.00 53.10 H new ATOM 0 HA VAL A 38 -1.183 3.491 -3.357 1.00 1.11 H new ATOM 0 HB VAL A 38 0.116 1.326 -2.906 1.00 60.25 H new ATOM 0 HG11 VAL A 38 1.473 2.352 -1.126 1.00 34.14 H new ATOM 0 HG12 VAL A 38 1.010 3.537 -2.370 1.00 34.14 H new ATOM 0 HG13 VAL A 38 0.164 3.515 -0.805 1.00 34.14 H new ATOM 0 HG21 VAL A 38 -0.005 0.440 -0.612 1.00 1.01 H new ATOM 0 HG22 VAL A 38 -1.374 1.524 -0.270 1.00 1.01 H new ATOM 0 HG23 VAL A 38 -1.543 0.232 -1.482 1.00 1.01 H new ATOM 560 N PRO A 39 -1.839 1.526 -4.897 1.00 1.43 N ATOM 561 CA PRO A 39 -2.463 0.636 -5.879 1.00 21.34 C ATOM 562 C PRO A 39 -2.316 -0.836 -5.505 1.00 1.41 C ATOM 563 O PRO A 39 -1.205 -1.360 -5.438 1.00 30.54 O ATOM 564 CB PRO A 39 -1.698 0.938 -7.170 1.00 44.13 C ATOM 565 CG PRO A 39 -0.374 1.447 -6.714 1.00 33.43 C ATOM 566 CD PRO A 39 -0.633 2.183 -5.429 1.00 74.31 C ATOM 0 HA PRO A 39 -3.537 0.804 -5.955 1.00 21.34 H new ATOM 0 HB2 PRO A 39 -1.589 0.044 -7.784 1.00 44.13 H new ATOM 0 HB3 PRO A 39 -2.220 1.679 -7.776 1.00 44.13 H new ATOM 0 HG2 PRO A 39 0.327 0.627 -6.559 1.00 33.43 H new ATOM 0 HG3 PRO A 39 0.068 2.108 -7.460 1.00 33.43 H new ATOM 0 HD2 PRO A 39 0.208 2.098 -4.741 1.00 74.31 H new ATOM 0 HD3 PRO A 39 -0.798 3.247 -5.601 1.00 74.31 H new ATOM 571 N ALA A 40 -3.444 -1.495 -5.262 1.00 62.00 N ATOM 572 CA ALA A 40 -3.440 -2.906 -4.897 1.00 2.22 C ATOM 573 C ALA A 40 -2.655 -3.733 -5.910 1.00 43.43 C ATOM 574 O ALA A 40 -2.247 -4.858 -5.623 1.00 23.12 O ATOM 575 CB ALA A 40 -4.865 -3.425 -4.780 1.00 4.02 C ATOM 0 H ALA A 40 -4.372 -1.074 -5.311 1.00 62.00 H new ATOM 0 HA ALA A 40 -2.949 -3.004 -3.929 1.00 2.22 H new ATOM 0 HB1 ALA A 40 -4.847 -4.480 -4.507 1.00 4.02 H new ATOM 0 HB2 ALA A 40 -5.396 -2.861 -4.013 1.00 4.02 H new ATOM 0 HB3 ALA A 40 -5.375 -3.306 -5.736 1.00 4.02 H new ATOM 581 N ALA A 41 -2.447 -3.168 -7.094 1.00 31.24 N ATOM 582 CA ALA A 41 -1.710 -3.852 -8.149 1.00 72.33 C ATOM 583 C ALA A 41 -0.255 -4.072 -7.748 1.00 50.13 C ATOM 584 O ALA A 41 0.398 -4.998 -8.227 1.00 74.31 O ATOM 585 CB ALA A 41 -1.789 -3.062 -9.446 1.00 33.31 C ATOM 0 H ALA A 41 -2.779 -2.237 -7.347 1.00 31.24 H new ATOM 0 HA ALA A 41 -2.168 -4.829 -8.304 1.00 72.33 H new ATOM 0 HB1 ALA A 41 -1.234 -3.585 -10.225 1.00 33.31 H new ATOM 0 HB2 ALA A 41 -2.831 -2.962 -9.748 1.00 33.31 H new ATOM 0 HB3 ALA A 41 -1.358 -2.072 -9.296 1.00 33.31 H new ATOM 591 N TYR A 42 0.247 -3.213 -6.867 1.00 23.12 N ATOM 592 CA TYR A 42 1.626 -3.311 -6.404 1.00 41.20 C ATOM 593 C TYR A 42 1.720 -4.178 -5.152 1.00 5.54 C ATOM 594 O TYR A 42 2.812 -4.532 -4.708 1.00 12.05 O ATOM 595 CB TYR A 42 2.190 -1.919 -6.118 1.00 50.24 C ATOM 596 CG TYR A 42 2.501 -1.123 -7.366 1.00 63.04 C ATOM 597 CD1 TYR A 42 1.575 -1.022 -8.397 1.00 53.20 C ATOM 598 CD2 TYR A 42 3.720 -0.473 -7.513 1.00 24.41 C ATOM 599 CE1 TYR A 42 1.855 -0.297 -9.539 1.00 34.02 C ATOM 600 CE2 TYR A 42 4.007 0.256 -8.651 1.00 54.45 C ATOM 601 CZ TYR A 42 3.073 0.340 -9.661 1.00 41.43 C ATOM 602 OH TYR A 42 3.356 1.064 -10.797 1.00 60.13 O ATOM 0 H TYR A 42 -0.281 -2.441 -6.459 1.00 23.12 H new ATOM 0 HA TYR A 42 2.215 -3.779 -7.193 1.00 41.20 H new ATOM 0 HB2 TYR A 42 1.474 -1.364 -5.512 1.00 50.24 H new ATOM 0 HB3 TYR A 42 3.099 -2.019 -5.525 1.00 50.24 H new ATOM 0 HD1 TYR A 42 0.620 -1.519 -8.304 1.00 53.20 H new ATOM 0 HD2 TYR A 42 4.455 -0.539 -6.725 1.00 24.41 H new ATOM 0 HE1 TYR A 42 1.125 -0.229 -10.332 1.00 34.02 H new ATOM 0 HE2 TYR A 42 4.958 0.758 -8.749 1.00 54.45 H new ATOM 0 HH TYR A 42 3.707 0.464 -11.488 1.00 60.13 H new ATOM 611 N VAL A 43 0.565 -4.516 -4.587 1.00 73.24 N ATOM 612 CA VAL A 43 0.516 -5.343 -3.387 1.00 44.00 C ATOM 613 C VAL A 43 -0.422 -6.530 -3.576 1.00 33.53 C ATOM 614 O VAL A 43 -1.047 -6.681 -4.626 1.00 24.22 O ATOM 615 CB VAL A 43 0.053 -4.529 -2.163 1.00 54.20 C ATOM 616 CG1 VAL A 43 1.123 -3.528 -1.753 1.00 53.43 C ATOM 617 CG2 VAL A 43 -1.262 -3.825 -2.458 1.00 10.10 C ATOM 0 H VAL A 43 -0.348 -4.230 -4.941 1.00 73.24 H new ATOM 0 HA VAL A 43 1.529 -5.707 -3.212 1.00 44.00 H new ATOM 0 HB VAL A 43 -0.108 -5.215 -1.331 1.00 54.20 H new ATOM 0 HG11 VAL A 43 0.779 -2.962 -0.887 1.00 53.43 H new ATOM 0 HG12 VAL A 43 2.040 -4.059 -1.498 1.00 53.43 H new ATOM 0 HG13 VAL A 43 1.318 -2.844 -2.579 1.00 53.43 H new ATOM 0 HG21 VAL A 43 -1.574 -3.255 -1.583 1.00 10.10 H new ATOM 0 HG22 VAL A 43 -1.131 -3.149 -3.303 1.00 10.10 H new ATOM 0 HG23 VAL A 43 -2.025 -4.565 -2.700 1.00 10.10 H new ATOM 627 N LYS A 44 -0.515 -7.373 -2.552 1.00 52.30 N ATOM 628 CA LYS A 44 -1.377 -8.547 -2.603 1.00 31.12 C ATOM 629 C LYS A 44 -1.550 -9.156 -1.216 1.00 51.33 C ATOM 630 O LYS A 44 -0.598 -9.237 -0.438 1.00 10.13 O ATOM 631 CB LYS A 44 -0.796 -9.591 -3.561 1.00 13.20 C ATOM 632 CG LYS A 44 -1.839 -10.525 -4.148 1.00 24.51 C ATOM 633 CD LYS A 44 -1.261 -11.372 -5.270 1.00 52.23 C ATOM 634 CE LYS A 44 0.029 -12.055 -4.843 1.00 55.41 C ATOM 635 NZ LYS A 44 0.090 -13.468 -5.310 1.00 54.20 N ATOM 0 H LYS A 44 -0.003 -7.264 -1.677 1.00 52.30 H new ATOM 0 HA LYS A 44 -2.355 -8.233 -2.967 1.00 31.12 H new ATOM 0 HB2 LYS A 44 -0.281 -9.079 -4.374 1.00 13.20 H new ATOM 0 HB3 LYS A 44 -0.049 -10.182 -3.031 1.00 13.20 H new ATOM 0 HG2 LYS A 44 -2.229 -11.175 -3.364 1.00 24.51 H new ATOM 0 HG3 LYS A 44 -2.679 -9.942 -4.526 1.00 24.51 H new ATOM 0 HD2 LYS A 44 -1.990 -12.124 -5.572 1.00 52.23 H new ATOM 0 HD3 LYS A 44 -1.071 -10.744 -6.141 1.00 52.23 H new ATOM 0 HE2 LYS A 44 0.881 -11.504 -5.242 1.00 55.41 H new ATOM 0 HE3 LYS A 44 0.112 -12.028 -3.756 1.00 55.41 H new ATOM 0 HZ1 LYS A 44 0.984 -13.898 -4.999 1.00 54.20 H new ATOM 0 HZ2 LYS A 44 -0.708 -14.001 -4.910 1.00 54.20 H new ATOM 0 HZ3 LYS A 44 0.037 -13.493 -6.348 1.00 54.20 H new ATOM 645 N LYS A 45 -2.769 -9.585 -0.911 1.00 65.22 N ATOM 646 CA LYS A 45 -3.068 -10.190 0.382 1.00 2.50 C ATOM 647 C LYS A 45 -2.287 -11.486 0.569 1.00 43.35 C ATOM 648 O LYS A 45 -1.943 -12.162 -0.401 1.00 50.31 O ATOM 649 CB LYS A 45 -4.569 -10.463 0.507 1.00 74.10 C ATOM 650 CG LYS A 45 -5.246 -9.656 1.600 1.00 43.35 C ATOM 651 CD LYS A 45 -6.436 -10.397 2.185 1.00 42.32 C ATOM 652 CE LYS A 45 -7.727 -9.616 1.994 1.00 4.02 C ATOM 653 NZ LYS A 45 -8.882 -10.514 1.711 1.00 12.11 N ATOM 0 H LYS A 45 -3.568 -9.525 -1.542 1.00 65.22 H new ATOM 0 HA LYS A 45 -2.767 -9.489 1.161 1.00 2.50 H new ATOM 0 HB2 LYS A 45 -5.050 -10.243 -0.446 1.00 74.10 H new ATOM 0 HB3 LYS A 45 -4.721 -11.524 0.704 1.00 74.10 H new ATOM 0 HG2 LYS A 45 -4.528 -9.438 2.390 1.00 43.35 H new ATOM 0 HG3 LYS A 45 -5.575 -8.699 1.196 1.00 43.35 H new ATOM 0 HD2 LYS A 45 -6.527 -11.374 1.710 1.00 42.32 H new ATOM 0 HD3 LYS A 45 -6.270 -10.573 3.248 1.00 42.32 H new ATOM 0 HE2 LYS A 45 -7.933 -9.030 2.890 1.00 4.02 H new ATOM 0 HE3 LYS A 45 -7.606 -8.910 1.173 1.00 4.02 H new ATOM 0 HZ1 LYS A 45 -9.743 -9.944 1.587 1.00 12.11 H new ATOM 0 HZ2 LYS A 45 -8.697 -11.055 0.842 1.00 12.11 H new ATOM 0 HZ3 LYS A 45 -9.014 -11.171 2.506 1.00 12.11 H new ATOM 663 N LEU A 46 -2.010 -11.828 1.824 1.00 20.22 N ATOM 664 CA LEU A 46 -1.270 -13.045 2.138 1.00 64.14 C ATOM 665 C LEU A 46 -2.049 -13.916 3.120 1.00 75.13 C ATOM 666 O LEU A 46 -3.173 -13.589 3.499 1.00 61.34 O ATOM 667 CB LEU A 46 0.099 -12.696 2.724 1.00 34.32 C ATOM 668 CG LEU A 46 0.911 -11.653 1.956 1.00 2.01 C ATOM 669 CD1 LEU A 46 1.917 -10.977 2.874 1.00 72.55 C ATOM 670 CD2 LEU A 46 1.616 -12.293 0.768 1.00 5.13 C ATOM 0 H LEU A 46 -2.287 -11.280 2.639 1.00 20.22 H new ATOM 0 HA LEU A 46 -1.130 -13.606 1.214 1.00 64.14 H new ATOM 0 HB2 LEU A 46 -0.045 -12.337 3.743 1.00 34.32 H new ATOM 0 HB3 LEU A 46 0.688 -13.611 2.789 1.00 34.32 H new ATOM 0 HG LEU A 46 0.226 -10.893 1.580 1.00 2.01 H new ATOM 0 HD11 LEU A 46 2.485 -10.238 2.309 1.00 72.55 H new ATOM 0 HD12 LEU A 46 1.390 -10.483 3.690 1.00 72.55 H new ATOM 0 HD13 LEU A 46 2.598 -11.725 3.281 1.00 72.55 H new ATOM 0 HD21 LEU A 46 2.189 -11.535 0.233 1.00 5.13 H new ATOM 0 HD22 LEU A 46 2.289 -13.074 1.122 1.00 5.13 H new ATOM 0 HD23 LEU A 46 0.876 -12.728 0.097 1.00 5.13 H new ATOM 681 N ASP A 47 -1.441 -15.025 3.528 1.00 42.32 N ATOM 682 CA ASP A 47 -2.075 -15.942 4.468 1.00 73.30 C ATOM 683 C ASP A 47 -1.372 -15.905 5.822 1.00 14.10 C ATOM 684 O ASP A 47 -0.315 -16.512 5.999 1.00 41.04 O ATOM 685 CB ASP A 47 -2.062 -17.367 3.911 1.00 50.24 C ATOM 686 CG ASP A 47 -3.381 -18.083 4.123 1.00 63.30 C ATOM 687 OD1 ASP A 47 -4.426 -17.400 4.167 1.00 44.13 O ATOM 688 OD2 ASP A 47 -3.370 -19.326 4.244 1.00 53.35 O ATOM 0 H ASP A 47 -0.511 -15.310 3.223 1.00 42.32 H new ATOM 0 HA ASP A 47 -3.108 -15.624 4.607 1.00 73.30 H new ATOM 0 HB2 ASP A 47 -1.836 -17.335 2.845 1.00 50.24 H new ATOM 0 HB3 ASP A 47 -1.263 -17.934 4.389 1.00 50.24 H new ATOM 692 N SER A 48 -1.964 -15.188 6.772 1.00 35.45 N ATOM 693 CA SER A 48 -1.391 -15.069 8.107 1.00 3.33 C ATOM 694 C SER A 48 -1.681 -16.317 8.936 1.00 13.41 C ATOM 695 O SER A 48 -0.766 -17.041 9.327 1.00 45.30 O ATOM 696 CB SER A 48 -1.950 -13.832 8.814 1.00 54.14 C ATOM 697 OG SER A 48 -1.338 -13.648 10.079 1.00 54.21 O ATOM 0 H SER A 48 -2.840 -14.681 6.642 1.00 35.45 H new ATOM 0 HA SER A 48 -0.311 -14.965 8.005 1.00 3.33 H new ATOM 0 HB2 SER A 48 -1.785 -12.950 8.195 1.00 54.14 H new ATOM 0 HB3 SER A 48 -3.028 -13.937 8.940 1.00 54.14 H new ATOM 0 HG SER A 48 -2.030 -13.518 10.761 1.00 54.21 H new ATOM 702 N GLY A 49 -2.960 -16.560 9.200 1.00 62.11 N ATOM 703 CA GLY A 49 -3.349 -17.721 9.981 1.00 53.35 C ATOM 704 C GLY A 49 -4.276 -17.364 11.126 1.00 22.40 C ATOM 705 O GLY A 49 -5.431 -17.790 11.156 1.00 51.22 O ATOM 0 H GLY A 49 -3.735 -15.974 8.888 1.00 62.11 H new ATOM 0 HA2 GLY A 49 -3.841 -18.444 9.331 1.00 53.35 H new ATOM 0 HA3 GLY A 49 -2.456 -18.204 10.377 1.00 53.35 H new ATOM 709 N THR A 50 -3.770 -16.582 12.075 1.00 1.21 N ATOM 710 CA THR A 50 -4.560 -16.171 13.229 1.00 33.11 C ATOM 711 C THR A 50 -5.726 -15.285 12.810 1.00 14.43 C ATOM 712 O THR A 50 -6.781 -15.289 13.443 1.00 32.00 O ATOM 713 CB THR A 50 -3.698 -15.415 14.259 1.00 23.33 C ATOM 714 OG1 THR A 50 -4.516 -14.964 15.344 1.00 24.53 O ATOM 715 CG2 THR A 50 -3.003 -14.226 13.613 1.00 34.04 C ATOM 0 H THR A 50 -2.816 -16.221 12.067 1.00 1.21 H new ATOM 0 HA THR A 50 -4.947 -17.081 13.688 1.00 33.11 H new ATOM 0 HB THR A 50 -2.938 -16.099 14.637 1.00 23.33 H new ATOM 0 HG1 THR A 50 -3.961 -14.486 15.995 1.00 24.53 H new ATOM 0 HG21 THR A 50 -2.400 -13.708 14.359 1.00 34.04 H new ATOM 0 HG22 THR A 50 -2.360 -14.575 12.806 1.00 34.04 H new ATOM 0 HG23 THR A 50 -3.750 -13.542 13.211 1.00 34.04 H new ATOM 723 N GLY A 51 -5.530 -14.524 11.737 1.00 11.32 N ATOM 724 CA GLY A 51 -6.575 -13.642 11.250 1.00 63.22 C ATOM 725 C GLY A 51 -6.131 -12.194 11.194 1.00 25.50 C ATOM 726 O GLY A 51 -6.856 -11.298 11.627 1.00 62.23 O ATOM 0 H GLY A 51 -4.665 -14.503 11.196 1.00 11.32 H new ATOM 0 HA2 GLY A 51 -6.883 -13.963 10.255 1.00 63.22 H new ATOM 0 HA3 GLY A 51 -7.448 -13.726 11.897 1.00 63.22 H new ATOM 730 N LYS A 52 -4.937 -11.963 10.659 1.00 45.22 N ATOM 731 CA LYS A 52 -4.397 -10.613 10.548 1.00 32.40 C ATOM 732 C LYS A 52 -4.609 -10.057 9.143 1.00 51.02 C ATOM 733 O LYS A 52 -4.811 -10.810 8.192 1.00 24.53 O ATOM 734 CB LYS A 52 -2.905 -10.609 10.890 1.00 23.33 C ATOM 735 CG LYS A 52 -2.609 -11.025 12.320 1.00 71.20 C ATOM 736 CD LYS A 52 -1.649 -10.058 12.994 1.00 44.44 C ATOM 737 CE LYS A 52 -2.318 -8.724 13.289 1.00 61.41 C ATOM 738 NZ LYS A 52 -2.518 -8.515 14.749 1.00 2.31 N ATOM 0 H LYS A 52 -4.325 -12.693 10.295 1.00 45.22 H new ATOM 0 HA LYS A 52 -4.927 -9.976 11.256 1.00 32.40 H new ATOM 0 HB2 LYS A 52 -2.383 -11.281 10.209 1.00 23.33 H new ATOM 0 HB3 LYS A 52 -2.504 -9.609 10.721 1.00 23.33 H new ATOM 0 HG2 LYS A 52 -3.539 -11.070 12.887 1.00 71.20 H new ATOM 0 HG3 LYS A 52 -2.182 -12.028 12.327 1.00 71.20 H new ATOM 0 HD2 LYS A 52 -1.282 -10.496 13.922 1.00 44.44 H new ATOM 0 HD3 LYS A 52 -0.782 -9.898 12.353 1.00 44.44 H new ATOM 0 HE2 LYS A 52 -1.708 -7.915 12.887 1.00 61.41 H new ATOM 0 HE3 LYS A 52 -3.281 -8.680 12.781 1.00 61.41 H new ATOM 0 HZ1 LYS A 52 -2.976 -7.595 14.908 1.00 2.31 H new ATOM 0 HZ2 LYS A 52 -3.121 -9.273 15.129 1.00 2.31 H new ATOM 0 HZ3 LYS A 52 -1.597 -8.531 15.231 1.00 2.31 H new ATOM 748 N GLU A 53 -4.560 -8.734 9.022 1.00 41.32 N ATOM 749 CA GLU A 53 -4.746 -8.078 7.733 1.00 33.45 C ATOM 750 C GLU A 53 -3.424 -7.528 7.206 1.00 53.12 C ATOM 751 O GLU A 53 -3.043 -6.397 7.512 1.00 5.13 O ATOM 752 CB GLU A 53 -5.769 -6.948 7.853 1.00 44.52 C ATOM 753 CG GLU A 53 -6.907 -7.256 8.812 1.00 62.40 C ATOM 754 CD GLU A 53 -8.072 -6.298 8.663 1.00 41.41 C ATOM 755 OE1 GLU A 53 -8.505 -6.062 7.516 1.00 51.41 O ATOM 756 OE2 GLU A 53 -8.551 -5.783 9.696 1.00 13.54 O ATOM 0 H GLU A 53 -4.393 -8.096 9.800 1.00 41.32 H new ATOM 0 HA GLU A 53 -5.118 -8.821 7.027 1.00 33.45 H new ATOM 0 HB2 GLU A 53 -5.261 -6.043 8.185 1.00 44.52 H new ATOM 0 HB3 GLU A 53 -6.183 -6.738 6.867 1.00 44.52 H new ATOM 0 HG2 GLU A 53 -7.255 -8.275 8.641 1.00 62.40 H new ATOM 0 HG3 GLU A 53 -6.536 -7.214 9.836 1.00 62.40 H new ATOM 761 N LEU A 54 -2.727 -8.335 6.414 1.00 24.00 N ATOM 762 CA LEU A 54 -1.447 -7.931 5.844 1.00 12.31 C ATOM 763 C LEU A 54 -1.475 -8.021 4.322 1.00 11.11 C ATOM 764 O LEU A 54 -2.374 -8.629 3.742 1.00 24.11 O ATOM 765 CB LEU A 54 -0.321 -8.806 6.397 1.00 43.43 C ATOM 766 CG LEU A 54 -0.723 -10.207 6.857 1.00 22.35 C ATOM 767 CD1 LEU A 54 -1.101 -11.072 5.664 1.00 45.41 C ATOM 768 CD2 LEU A 54 0.403 -10.853 7.650 1.00 11.31 C ATOM 0 H LEU A 54 -3.027 -9.274 6.152 1.00 24.00 H new ATOM 0 HA LEU A 54 -1.264 -6.894 6.125 1.00 12.31 H new ATOM 0 HB2 LEU A 54 0.446 -8.904 5.629 1.00 43.43 H new ATOM 0 HB3 LEU A 54 0.136 -8.286 7.239 1.00 43.43 H new ATOM 0 HG LEU A 54 -1.593 -10.119 7.507 1.00 22.35 H new ATOM 0 HD11 LEU A 54 -1.384 -12.066 6.010 1.00 45.41 H new ATOM 0 HD12 LEU A 54 -1.940 -10.618 5.137 1.00 45.41 H new ATOM 0 HD13 LEU A 54 -0.249 -11.152 4.988 1.00 45.41 H new ATOM 0 HD21 LEU A 54 0.098 -11.850 7.969 1.00 11.31 H new ATOM 0 HD22 LEU A 54 1.292 -10.928 7.024 1.00 11.31 H new ATOM 0 HD23 LEU A 54 0.627 -10.244 8.526 1.00 11.31 H new ATOM 779 N VAL A 55 -0.482 -7.414 3.680 1.00 32.45 N ATOM 780 CA VAL A 55 -0.391 -7.429 2.224 1.00 64.13 C ATOM 781 C VAL A 55 1.054 -7.280 1.762 1.00 71.14 C ATOM 782 O VAL A 55 1.699 -6.264 2.023 1.00 43.43 O ATOM 783 CB VAL A 55 -1.237 -6.305 1.597 1.00 42.35 C ATOM 784 CG1 VAL A 55 -2.653 -6.790 1.326 1.00 71.22 C ATOM 785 CG2 VAL A 55 -1.248 -5.081 2.500 1.00 1.44 C ATOM 0 H VAL A 55 0.271 -6.906 4.145 1.00 32.45 H new ATOM 0 HA VAL A 55 -0.778 -8.393 1.893 1.00 64.13 H new ATOM 0 HB VAL A 55 -0.787 -6.023 0.645 1.00 42.35 H new ATOM 0 HG11 VAL A 55 -3.236 -5.982 0.883 1.00 71.22 H new ATOM 0 HG12 VAL A 55 -2.623 -7.635 0.638 1.00 71.22 H new ATOM 0 HG13 VAL A 55 -3.117 -7.101 2.262 1.00 71.22 H new ATOM 0 HG21 VAL A 55 -1.850 -4.296 2.042 1.00 1.44 H new ATOM 0 HG22 VAL A 55 -1.673 -5.347 3.468 1.00 1.44 H new ATOM 0 HG23 VAL A 55 -0.228 -4.722 2.638 1.00 1.44 H new ATOM 795 N LEU A 56 1.558 -8.299 1.075 1.00 10.31 N ATOM 796 CA LEU A 56 2.929 -8.282 0.575 1.00 61.12 C ATOM 797 C LEU A 56 3.083 -7.272 -0.557 1.00 41.53 C ATOM 798 O LEU A 56 2.143 -7.023 -1.312 1.00 53.33 O ATOM 799 CB LEU A 56 3.333 -9.675 0.090 1.00 42.21 C ATOM 800 CG LEU A 56 4.805 -9.854 -0.285 1.00 23.42 C ATOM 801 CD1 LEU A 56 5.127 -9.090 -1.560 1.00 60.02 C ATOM 802 CD2 LEU A 56 5.704 -9.399 0.854 1.00 71.21 C ATOM 0 H LEU A 56 1.038 -9.148 0.851 1.00 10.31 H new ATOM 0 HA LEU A 56 3.585 -7.985 1.394 1.00 61.12 H new ATOM 0 HB2 LEU A 56 3.087 -10.395 0.871 1.00 42.21 H new ATOM 0 HB3 LEU A 56 2.724 -9.926 -0.779 1.00 42.21 H new ATOM 0 HG LEU A 56 4.989 -10.913 -0.465 1.00 23.42 H new ATOM 0 HD11 LEU A 56 6.178 -9.229 -1.812 1.00 60.02 H new ATOM 0 HD12 LEU A 56 4.507 -9.464 -2.375 1.00 60.02 H new ATOM 0 HD13 LEU A 56 4.927 -8.029 -1.409 1.00 60.02 H new ATOM 0 HD21 LEU A 56 6.748 -9.534 0.570 1.00 71.21 H new ATOM 0 HD22 LEU A 56 5.518 -8.346 1.066 1.00 71.21 H new ATOM 0 HD23 LEU A 56 5.491 -9.991 1.744 1.00 71.21 H new ATOM 813 N ALA A 57 4.274 -6.693 -0.669 1.00 74.24 N ATOM 814 CA ALA A 57 4.553 -5.714 -1.712 1.00 50.10 C ATOM 815 C ALA A 57 5.160 -6.379 -2.942 1.00 72.43 C ATOM 816 O ALA A 57 6.306 -6.831 -2.916 1.00 43.14 O ATOM 817 CB ALA A 57 5.482 -4.630 -1.184 1.00 71.33 C ATOM 0 H ALA A 57 5.061 -6.885 -0.050 1.00 74.24 H new ATOM 0 HA ALA A 57 3.609 -5.257 -2.007 1.00 50.10 H new ATOM 0 HB1 ALA A 57 5.682 -3.906 -1.974 1.00 71.33 H new ATOM 0 HB2 ALA A 57 5.011 -4.126 -0.340 1.00 71.33 H new ATOM 0 HB3 ALA A 57 6.420 -5.081 -0.859 1.00 71.33 H new ATOM 823 N LEU A 58 4.385 -6.438 -4.020 1.00 63.15 N ATOM 824 CA LEU A 58 4.846 -7.050 -5.262 1.00 53.44 C ATOM 825 C LEU A 58 5.765 -6.102 -6.027 1.00 24.13 C ATOM 826 O LEU A 58 6.784 -6.519 -6.576 1.00 52.12 O ATOM 827 CB LEU A 58 3.652 -7.438 -6.136 1.00 10.34 C ATOM 828 CG LEU A 58 2.487 -8.118 -5.417 1.00 73.32 C ATOM 829 CD1 LEU A 58 1.304 -8.286 -6.358 1.00 33.33 C ATOM 830 CD2 LEU A 58 2.919 -9.465 -4.855 1.00 51.31 C ATOM 0 H LEU A 58 3.435 -6.070 -4.059 1.00 63.15 H new ATOM 0 HA LEU A 58 5.410 -7.948 -5.009 1.00 53.44 H new ATOM 0 HB2 LEU A 58 3.277 -6.538 -6.623 1.00 10.34 H new ATOM 0 HB3 LEU A 58 4.005 -8.104 -6.924 1.00 10.34 H new ATOM 0 HG LEU A 58 2.178 -7.483 -4.587 1.00 73.32 H new ATOM 0 HD11 LEU A 58 0.484 -8.772 -5.829 1.00 33.33 H new ATOM 0 HD12 LEU A 58 0.978 -7.308 -6.712 1.00 33.33 H new ATOM 0 HD13 LEU A 58 1.600 -8.899 -7.209 1.00 33.33 H new ATOM 0 HD21 LEU A 58 2.077 -9.934 -4.347 1.00 51.31 H new ATOM 0 HD22 LEU A 58 3.256 -10.108 -5.669 1.00 51.31 H new ATOM 0 HD23 LEU A 58 3.735 -9.319 -4.147 1.00 51.31 H new ATOM 841 N TYR A 59 5.398 -4.826 -6.056 1.00 63.30 N ATOM 842 CA TYR A 59 6.189 -3.819 -6.754 1.00 64.02 C ATOM 843 C TYR A 59 6.487 -2.633 -5.842 1.00 32.11 C ATOM 844 O TYR A 59 5.750 -2.364 -4.894 1.00 44.23 O ATOM 845 CB TYR A 59 5.453 -3.341 -8.007 1.00 61.11 C ATOM 846 CG TYR A 59 4.695 -4.438 -8.720 1.00 63.15 C ATOM 847 CD1 TYR A 59 5.281 -5.677 -8.951 1.00 64.14 C ATOM 848 CD2 TYR A 59 3.395 -4.236 -9.163 1.00 24.32 C ATOM 849 CE1 TYR A 59 4.593 -6.682 -9.602 1.00 24.22 C ATOM 850 CE2 TYR A 59 2.698 -5.236 -9.813 1.00 21.25 C ATOM 851 CZ TYR A 59 3.301 -6.457 -10.032 1.00 74.35 C ATOM 852 OH TYR A 59 2.611 -7.456 -10.680 1.00 0.43 O ATOM 0 H TYR A 59 4.558 -4.464 -5.604 1.00 63.30 H new ATOM 0 HA TYR A 59 7.134 -4.275 -7.048 1.00 64.02 H new ATOM 0 HB2 TYR A 59 4.756 -2.551 -7.729 1.00 61.11 H new ATOM 0 HB3 TYR A 59 6.174 -2.902 -8.696 1.00 61.11 H new ATOM 0 HD1 TYR A 59 6.292 -5.857 -8.616 1.00 64.14 H new ATOM 0 HD2 TYR A 59 2.920 -3.280 -8.997 1.00 24.32 H new ATOM 0 HE1 TYR A 59 5.063 -7.639 -9.774 1.00 24.22 H new ATOM 0 HE2 TYR A 59 1.686 -5.063 -10.148 1.00 21.25 H new ATOM 0 HH TYR A 59 1.715 -7.135 -10.915 1.00 0.43 H new ATOM 861 N ASP A 60 7.573 -1.927 -6.138 1.00 61.11 N ATOM 862 CA ASP A 60 7.969 -0.768 -5.347 1.00 14.54 C ATOM 863 C ASP A 60 7.088 0.437 -5.668 1.00 72.14 C ATOM 864 O ASP A 60 6.878 0.771 -6.834 1.00 2.43 O ATOM 865 CB ASP A 60 9.437 -0.425 -5.606 1.00 4.44 C ATOM 866 CG ASP A 60 9.711 -0.119 -7.066 1.00 1.20 C ATOM 867 OD1 ASP A 60 9.139 -0.809 -7.935 1.00 62.53 O ATOM 868 OD2 ASP A 60 10.497 0.811 -7.339 1.00 54.42 O ATOM 0 H ASP A 60 8.194 -2.137 -6.919 1.00 61.11 H new ATOM 0 HA ASP A 60 7.842 -1.018 -4.294 1.00 14.54 H new ATOM 0 HB2 ASP A 60 9.719 0.435 -4.998 1.00 4.44 H new ATOM 0 HB3 ASP A 60 10.063 -1.259 -5.289 1.00 4.44 H new ATOM 872 N TYR A 61 6.576 1.082 -4.626 1.00 53.22 N ATOM 873 CA TYR A 61 5.715 2.247 -4.797 1.00 32.24 C ATOM 874 C TYR A 61 6.081 3.345 -3.804 1.00 54.55 C ATOM 875 O TYR A 61 6.688 3.081 -2.766 1.00 40.31 O ATOM 876 CB TYR A 61 4.248 1.852 -4.620 1.00 0.53 C ATOM 877 CG TYR A 61 3.287 3.009 -4.776 1.00 32.33 C ATOM 878 CD1 TYR A 61 3.199 4.001 -3.808 1.00 72.53 C ATOM 879 CD2 TYR A 61 2.468 3.111 -5.895 1.00 41.25 C ATOM 880 CE1 TYR A 61 2.322 5.059 -3.946 1.00 44.10 C ATOM 881 CE2 TYR A 61 1.589 4.167 -6.042 1.00 34.00 C ATOM 882 CZ TYR A 61 1.520 5.138 -5.065 1.00 63.44 C ATOM 883 OH TYR A 61 0.646 6.191 -5.207 1.00 21.45 O ATOM 0 H TYR A 61 6.742 0.819 -3.655 1.00 53.22 H new ATOM 0 HA TYR A 61 5.862 2.632 -5.806 1.00 32.24 H new ATOM 0 HB2 TYR A 61 3.997 1.081 -5.349 1.00 0.53 H new ATOM 0 HB3 TYR A 61 4.116 1.411 -3.632 1.00 0.53 H new ATOM 0 HD1 TYR A 61 3.828 3.944 -2.932 1.00 72.53 H new ATOM 0 HD2 TYR A 61 2.520 2.352 -6.662 1.00 41.25 H new ATOM 0 HE1 TYR A 61 2.265 5.820 -3.182 1.00 44.10 H new ATOM 0 HE2 TYR A 61 0.959 4.232 -6.917 1.00 34.00 H new ATOM 0 HH TYR A 61 -0.087 5.930 -5.803 1.00 21.45 H new ATOM 892 N GLN A 62 5.708 4.578 -4.131 1.00 13.02 N ATOM 893 CA GLN A 62 5.997 5.717 -3.269 1.00 53.34 C ATOM 894 C GLN A 62 4.841 6.712 -3.274 1.00 31.42 C ATOM 895 O GLN A 62 4.396 7.154 -4.332 1.00 23.12 O ATOM 896 CB GLN A 62 7.284 6.412 -3.719 1.00 51.23 C ATOM 897 CG GLN A 62 8.380 6.404 -2.666 1.00 34.01 C ATOM 898 CD GLN A 62 8.285 7.580 -1.715 1.00 65.02 C ATOM 899 OE1 GLN A 62 9.299 8.139 -1.296 1.00 33.40 O ATOM 900 NE2 GLN A 62 7.061 7.963 -1.368 1.00 51.33 N ATOM 0 H GLN A 62 5.205 4.813 -4.987 1.00 13.02 H new ATOM 0 HA GLN A 62 6.129 5.345 -2.253 1.00 53.34 H new ATOM 0 HB2 GLN A 62 7.654 5.924 -4.621 1.00 51.23 H new ATOM 0 HB3 GLN A 62 7.056 7.444 -3.986 1.00 51.23 H new ATOM 0 HG2 GLN A 62 8.325 5.476 -2.097 1.00 34.01 H new ATOM 0 HG3 GLN A 62 9.352 6.418 -3.159 1.00 34.01 H new ATOM 0 HE21 GLN A 62 6.248 7.471 -1.739 1.00 51.33 H new ATOM 0 HE22 GLN A 62 6.934 8.749 -0.730 1.00 51.33 H new ATOM 907 N GLU A 63 4.358 7.058 -2.085 1.00 60.15 N ATOM 908 CA GLU A 63 3.252 7.999 -1.953 1.00 34.31 C ATOM 909 C GLU A 63 3.680 9.236 -1.169 1.00 34.44 C ATOM 910 O GLU A 63 4.449 9.142 -0.212 1.00 2.44 O ATOM 911 CB GLU A 63 2.064 7.329 -1.262 1.00 64.02 C ATOM 912 CG GLU A 63 0.734 7.586 -1.952 1.00 41.11 C ATOM 913 CD GLU A 63 0.610 9.006 -2.469 1.00 32.40 C ATOM 914 OE1 GLU A 63 0.390 9.920 -1.647 1.00 74.01 O ATOM 915 OE2 GLU A 63 0.733 9.203 -3.696 1.00 24.21 O ATOM 0 H GLU A 63 4.715 6.701 -1.199 1.00 60.15 H new ATOM 0 HA GLU A 63 2.952 8.311 -2.954 1.00 34.31 H new ATOM 0 HB2 GLU A 63 2.239 6.254 -1.218 1.00 64.02 H new ATOM 0 HB3 GLU A 63 2.005 7.685 -0.233 1.00 64.02 H new ATOM 0 HG2 GLU A 63 0.619 6.890 -2.783 1.00 41.11 H new ATOM 0 HG3 GLU A 63 -0.078 7.385 -1.253 1.00 41.11 H new ATOM 920 N SER A 64 3.178 10.395 -1.584 1.00 42.02 N ATOM 921 CA SER A 64 3.511 11.651 -0.924 1.00 54.43 C ATOM 922 C SER A 64 2.289 12.240 -0.226 1.00 71.13 C ATOM 923 O SER A 64 1.440 12.865 -0.859 1.00 31.11 O ATOM 924 CB SER A 64 4.065 12.654 -1.939 1.00 63.11 C ATOM 925 OG SER A 64 5.077 12.066 -2.737 1.00 74.32 O ATOM 0 H SER A 64 2.540 10.490 -2.374 1.00 42.02 H new ATOM 0 HA SER A 64 4.273 11.446 -0.172 1.00 54.43 H new ATOM 0 HB2 SER A 64 3.258 13.014 -2.577 1.00 63.11 H new ATOM 0 HB3 SER A 64 4.468 13.521 -1.415 1.00 63.11 H new ATOM 0 HG SER A 64 5.626 11.472 -2.184 1.00 74.32 H new ATOM 930 N GLY A 65 2.208 12.033 1.085 1.00 2.41 N ATOM 931 CA GLY A 65 1.086 12.548 1.849 1.00 20.22 C ATOM 932 C GLY A 65 -0.189 11.764 1.607 1.00 43.44 C ATOM 933 O GLY A 65 -0.812 11.888 0.553 1.00 13.13 O ATOM 0 H GLY A 65 2.899 11.518 1.631 1.00 2.41 H new ATOM 0 HA2 GLY A 65 1.330 12.520 2.911 1.00 20.22 H new ATOM 0 HA3 GLY A 65 0.921 13.593 1.587 1.00 20.22 H new ATOM 937 N ASP A 66 -0.578 10.955 2.586 1.00 72.31 N ATOM 938 CA ASP A 66 -1.786 10.146 2.474 1.00 12.50 C ATOM 939 C ASP A 66 -2.880 10.903 1.727 1.00 74.00 C ATOM 940 O ASP A 66 -3.506 11.809 2.275 1.00 32.33 O ATOM 941 CB ASP A 66 -2.285 9.744 3.863 1.00 24.33 C ATOM 942 CG ASP A 66 -2.643 10.942 4.720 1.00 23.44 C ATOM 943 OD1 ASP A 66 -1.717 11.580 5.262 1.00 51.34 O ATOM 944 OD2 ASP A 66 -3.849 11.242 4.848 1.00 74.42 O ATOM 0 H ASP A 66 -0.075 10.842 3.466 1.00 72.31 H new ATOM 0 HA ASP A 66 -1.541 9.247 1.909 1.00 12.50 H new ATOM 0 HB2 ASP A 66 -3.159 9.101 3.760 1.00 24.33 H new ATOM 0 HB3 ASP A 66 -1.516 9.158 4.366 1.00 24.33 H new ATOM 948 N ASN A 67 -3.101 10.526 0.472 1.00 12.34 N ATOM 949 CA ASN A 67 -4.117 11.171 -0.352 1.00 54.42 C ATOM 950 C ASN A 67 -5.124 10.149 -0.873 1.00 40.54 C ATOM 951 O ASN A 67 -4.809 8.969 -1.016 1.00 73.03 O ATOM 952 CB ASN A 67 -3.462 11.902 -1.526 1.00 64.33 C ATOM 953 CG ASN A 67 -4.330 11.889 -2.770 1.00 0.34 C ATOM 954 OD1 ASN A 67 -5.363 12.556 -2.827 1.00 43.03 O ATOM 955 ND2 ASN A 67 -3.911 11.129 -3.775 1.00 3.35 N ATOM 0 H ASN A 67 -2.591 9.778 0.003 1.00 12.34 H new ATOM 0 HA ASN A 67 -4.647 11.894 0.268 1.00 54.42 H new ATOM 0 HB2 ASN A 67 -3.257 12.934 -1.240 1.00 64.33 H new ATOM 0 HB3 ASN A 67 -2.502 11.437 -1.751 1.00 64.33 H new ATOM 0 HD21 ASN A 67 -4.452 11.081 -4.638 1.00 3.35 H new ATOM 0 HD22 ASN A 67 -3.048 10.593 -3.684 1.00 3.35 H new ATOM 961 N ALA A 68 -6.337 10.613 -1.153 1.00 41.02 N ATOM 962 CA ALA A 68 -7.390 9.742 -1.660 1.00 71.32 C ATOM 963 C ALA A 68 -7.173 9.418 -3.134 1.00 5.14 C ATOM 964 O ALA A 68 -6.774 10.270 -3.929 1.00 25.20 O ATOM 965 CB ALA A 68 -8.753 10.386 -1.453 1.00 31.33 C ATOM 0 H ALA A 68 -6.615 11.588 -1.037 1.00 41.02 H new ATOM 0 HA ALA A 68 -7.354 8.807 -1.101 1.00 71.32 H new ATOM 0 HB1 ALA A 68 -9.530 9.725 -1.836 1.00 31.33 H new ATOM 0 HB2 ALA A 68 -8.916 10.559 -0.389 1.00 31.33 H new ATOM 0 HB3 ALA A 68 -8.791 11.337 -1.985 1.00 31.33 H new ATOM 971 N PRO A 69 -7.441 8.160 -3.510 1.00 62.33 N ATOM 972 CA PRO A 69 -7.282 7.695 -4.892 1.00 75.13 C ATOM 973 C PRO A 69 -8.321 8.299 -5.829 1.00 10.31 C ATOM 974 O PRO A 69 -9.345 7.681 -6.118 1.00 22.11 O ATOM 975 CB PRO A 69 -7.478 6.180 -4.782 1.00 44.31 C ATOM 976 CG PRO A 69 -8.317 5.995 -3.564 1.00 31.24 C ATOM 977 CD PRO A 69 -7.920 7.092 -2.616 1.00 70.40 C ATOM 0 HA PRO A 69 -6.318 7.984 -5.311 1.00 75.13 H new ATOM 0 HB2 PRO A 69 -7.971 5.779 -5.667 1.00 44.31 H new ATOM 0 HB3 PRO A 69 -6.523 5.663 -4.688 1.00 44.31 H new ATOM 0 HG2 PRO A 69 -9.378 6.055 -3.808 1.00 31.24 H new ATOM 0 HG3 PRO A 69 -8.148 5.015 -3.119 1.00 31.24 H new ATOM 0 HD2 PRO A 69 -8.763 7.424 -2.010 1.00 70.40 H new ATOM 0 HD3 PRO A 69 -7.141 6.765 -1.927 1.00 70.40 H new ATOM 982 N SER A 70 -8.050 9.512 -6.302 1.00 11.42 N ATOM 983 CA SER A 70 -8.964 10.202 -7.206 1.00 61.14 C ATOM 984 C SER A 70 -8.639 9.875 -8.660 1.00 50.20 C ATOM 985 O SER A 70 -9.343 10.303 -9.577 1.00 61.14 O ATOM 986 CB SER A 70 -8.891 11.714 -6.982 1.00 32.11 C ATOM 987 OG SER A 70 -10.177 12.303 -7.061 1.00 10.21 O ATOM 0 H SER A 70 -7.206 10.037 -6.074 1.00 11.42 H new ATOM 0 HA SER A 70 -9.976 9.859 -6.992 1.00 61.14 H new ATOM 0 HB2 SER A 70 -8.453 11.920 -6.005 1.00 32.11 H new ATOM 0 HB3 SER A 70 -8.235 12.164 -7.727 1.00 32.11 H new ATOM 0 HG SER A 70 -10.104 13.269 -6.913 1.00 10.21 H new ATOM 992 N TYR A 71 -7.569 9.115 -8.864 1.00 23.55 N ATOM 993 CA TYR A 71 -7.148 8.732 -10.207 1.00 64.40 C ATOM 994 C TYR A 71 -6.847 7.238 -10.279 1.00 63.31 C ATOM 995 O TYR A 71 -6.827 6.549 -9.259 1.00 31.43 O ATOM 996 CB TYR A 71 -5.914 9.533 -10.626 1.00 23.33 C ATOM 997 CG TYR A 71 -4.851 9.609 -9.554 1.00 35.14 C ATOM 998 CD1 TYR A 71 -4.357 8.456 -8.955 1.00 24.14 C ATOM 999 CD2 TYR A 71 -4.338 10.833 -9.141 1.00 21.33 C ATOM 1000 CE1 TYR A 71 -3.385 8.521 -7.976 1.00 44.11 C ATOM 1001 CE2 TYR A 71 -3.365 10.907 -8.164 1.00 64.23 C ATOM 1002 CZ TYR A 71 -2.893 9.748 -7.583 1.00 55.12 C ATOM 1003 OH TYR A 71 -1.924 9.817 -6.608 1.00 11.35 O ATOM 0 H TYR A 71 -6.977 8.752 -8.117 1.00 23.55 H new ATOM 0 HA TYR A 71 -7.966 8.953 -10.893 1.00 64.40 H new ATOM 0 HB2 TYR A 71 -5.485 9.082 -11.521 1.00 23.33 H new ATOM 0 HB3 TYR A 71 -6.221 10.544 -10.894 1.00 23.33 H new ATOM 0 HD1 TYR A 71 -4.740 7.493 -9.260 1.00 24.14 H new ATOM 0 HD2 TYR A 71 -4.707 11.742 -9.592 1.00 21.33 H new ATOM 0 HE1 TYR A 71 -3.012 7.616 -7.520 1.00 44.11 H new ATOM 0 HE2 TYR A 71 -2.976 11.866 -7.856 1.00 64.23 H new ATOM 0 HH TYR A 71 -1.686 10.754 -6.449 1.00 11.35 H new ATOM 1012 N SER A 72 -6.614 6.745 -11.491 1.00 4.13 N ATOM 1013 CA SER A 72 -6.318 5.333 -11.698 1.00 73.42 C ATOM 1014 C SER A 72 -4.924 4.989 -11.179 1.00 2.33 C ATOM 1015 O SER A 72 -4.041 5.842 -11.085 1.00 42.13 O ATOM 1016 CB SER A 72 -6.423 4.979 -13.183 1.00 3.42 C ATOM 1017 OG SER A 72 -7.776 4.949 -13.604 1.00 34.34 O ATOM 0 H SER A 72 -6.625 7.303 -12.345 1.00 4.13 H new ATOM 0 HA SER A 72 -7.050 4.749 -11.141 1.00 73.42 H new ATOM 0 HB2 SER A 72 -5.871 5.709 -13.774 1.00 3.42 H new ATOM 0 HB3 SER A 72 -5.961 4.008 -13.363 1.00 3.42 H new ATOM 0 HG SER A 72 -7.817 4.722 -14.557 1.00 34.34 H new ATOM 1022 N PRO A 73 -4.721 3.708 -10.835 1.00 3.24 N ATOM 1023 CA PRO A 73 -3.439 3.221 -10.320 1.00 14.33 C ATOM 1024 C PRO A 73 -2.352 3.208 -11.391 1.00 50.11 C ATOM 1025 O PRO A 73 -2.617 3.002 -12.575 1.00 2.44 O ATOM 1026 CB PRO A 73 -3.758 1.795 -9.865 1.00 3.34 C ATOM 1027 CG PRO A 73 -4.928 1.387 -10.690 1.00 22.43 C ATOM 1028 CD PRO A 73 -5.729 2.639 -10.921 1.00 31.32 C ATOM 0 HA PRO A 73 -3.049 3.859 -9.527 1.00 14.33 H new ATOM 0 HB2 PRO A 73 -2.910 1.129 -10.025 1.00 3.34 H new ATOM 0 HB3 PRO A 73 -3.993 1.762 -8.801 1.00 3.34 H new ATOM 0 HG2 PRO A 73 -4.606 0.950 -11.635 1.00 22.43 H new ATOM 0 HG3 PRO A 73 -5.523 0.632 -10.176 1.00 22.43 H new ATOM 0 HD2 PRO A 73 -6.221 2.628 -11.894 1.00 31.32 H new ATOM 0 HD3 PRO A 73 -6.510 2.761 -10.170 1.00 31.32 H new ATOM 1033 N PRO A 74 -1.099 3.431 -10.966 1.00 22.53 N ATOM 1034 CA PRO A 74 0.052 3.448 -11.874 1.00 45.30 C ATOM 1035 C PRO A 74 0.380 2.063 -12.421 1.00 2.52 C ATOM 1036 O PRO A 74 0.093 1.040 -11.800 1.00 65.04 O ATOM 1037 CB PRO A 74 1.193 3.956 -10.988 1.00 2.33 C ATOM 1038 CG PRO A 74 0.789 3.589 -9.603 1.00 40.55 C ATOM 1039 CD PRO A 74 -0.710 3.682 -9.568 1.00 3.15 C ATOM 0 HA PRO A 74 -0.132 4.065 -12.754 1.00 45.30 H new ATOM 0 HB2 PRO A 74 2.141 3.493 -11.260 1.00 2.33 H new ATOM 0 HB3 PRO A 74 1.324 5.033 -11.090 1.00 2.33 H new ATOM 0 HG2 PRO A 74 1.123 2.582 -9.354 1.00 40.55 H new ATOM 0 HG3 PRO A 74 1.238 4.263 -8.874 1.00 40.55 H new ATOM 0 HD2 PRO A 74 -1.143 2.945 -8.892 1.00 3.15 H new ATOM 0 HD3 PRO A 74 -1.044 4.662 -9.227 1.00 3.15 H new ATOM 1044 N PRO A 75 0.996 2.027 -13.611 1.00 2.14 N ATOM 1045 CA PRO A 75 1.377 0.773 -14.269 1.00 40.44 C ATOM 1046 C PRO A 75 2.518 0.064 -13.547 1.00 3.32 C ATOM 1047 O PRO A 75 3.575 0.641 -13.290 1.00 63.43 O ATOM 1048 CB PRO A 75 1.824 1.223 -15.662 1.00 44.31 C ATOM 1049 CG PRO A 75 2.254 2.638 -15.482 1.00 21.13 C ATOM 1050 CD PRO A 75 1.368 3.208 -14.408 1.00 12.44 C ATOM 0 HA PRO A 75 0.557 0.054 -14.282 1.00 40.44 H new ATOM 0 HB2 PRO A 75 2.641 0.605 -16.035 1.00 44.31 H new ATOM 0 HB3 PRO A 75 1.011 1.145 -16.383 1.00 44.31 H new ATOM 0 HG2 PRO A 75 3.303 2.693 -15.192 1.00 21.13 H new ATOM 0 HG3 PRO A 75 2.150 3.198 -16.411 1.00 21.13 H new ATOM 0 HD2 PRO A 75 1.893 3.950 -13.806 1.00 12.44 H new ATOM 0 HD3 PRO A 75 0.492 3.701 -14.829 1.00 12.44 H new ATOM 1055 N PRO A 76 2.302 -1.217 -13.212 1.00 44.42 N ATOM 1056 CA PRO A 76 3.302 -2.032 -12.516 1.00 61.32 C ATOM 1057 C PRO A 76 4.498 -2.363 -13.401 1.00 51.41 C ATOM 1058 O PRO A 76 4.491 -2.126 -14.609 1.00 1.21 O ATOM 1059 CB PRO A 76 2.533 -3.306 -12.157 1.00 1.22 C ATOM 1060 CG PRO A 76 1.442 -3.388 -13.168 1.00 10.11 C ATOM 1061 CD PRO A 76 1.065 -1.967 -13.487 1.00 11.11 C ATOM 0 HA PRO A 76 3.722 -1.514 -11.654 1.00 61.32 H new ATOM 0 HB2 PRO A 76 3.179 -4.183 -12.199 1.00 1.22 H new ATOM 0 HB3 PRO A 76 2.132 -3.254 -11.145 1.00 1.22 H new ATOM 0 HG2 PRO A 76 1.778 -3.913 -14.062 1.00 10.11 H new ATOM 0 HG3 PRO A 76 0.588 -3.940 -12.776 1.00 10.11 H new ATOM 0 HD2 PRO A 76 0.751 -1.858 -14.525 1.00 11.11 H new ATOM 0 HD3 PRO A 76 0.239 -1.621 -12.866 1.00 11.11 H new ATOM 1066 N PRO A 77 5.552 -2.925 -12.789 1.00 4.31 N ATOM 1067 CA PRO A 77 6.774 -3.301 -13.504 1.00 51.20 C ATOM 1068 C PRO A 77 6.558 -4.489 -14.436 1.00 32.02 C ATOM 1069 O PRO A 77 7.492 -5.233 -14.734 1.00 32.53 O ATOM 1070 CB PRO A 77 7.743 -3.674 -12.378 1.00 31.14 C ATOM 1071 CG PRO A 77 6.867 -4.083 -11.245 1.00 4.42 C ATOM 1072 CD PRO A 77 5.629 -3.235 -11.352 1.00 60.23 C ATOM 0 HA PRO A 77 7.134 -2.497 -14.146 1.00 51.20 H new ATOM 0 HB2 PRO A 77 8.406 -4.485 -12.679 1.00 31.14 H new ATOM 0 HB3 PRO A 77 8.376 -2.830 -12.104 1.00 31.14 H new ATOM 0 HG2 PRO A 77 6.620 -5.143 -11.305 1.00 4.42 H new ATOM 0 HG3 PRO A 77 7.366 -3.926 -10.289 1.00 4.42 H new ATOM 0 HD2 PRO A 77 4.744 -3.771 -11.008 1.00 60.23 H new ATOM 0 HD3 PRO A 77 5.708 -2.330 -10.749 1.00 60.23 H new